| 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 | 46.6 | Very low | 60.8 | Low | 214 Ų | 214 | 139.3 Ų | 139.3 | 100% | 1.054 | 67% | 0.665 | S | S | * | * | 0 | -26.4 | 0 | -69.4 | 178.7 | 174.6 | 0 | 0 | 114.3 | K3 Q4 | M1-K3 PolarHBondContact O-N 3.21Å; M1-Q4 PolarHBondContact O-N 2.83Å | |||
| 2 | T | 49.7 | Very low | 62.2 | Low | 118 Ų | 118 | 135.9 Ų | 135.9 | 72% | 0.724 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61.8 | -36 | -171 | -20.1 | 0 | 0 | 0 | 0 | 115.8 | Q4 | T2-Q4 VanDerWaalsContact C-N 3.27Å; T2-Q4 PolarHBondContact O-N 3.02Å |
| 3 | K | 50.6 | Low | 63.8 | Low | 195 Ų | 195 | 132.1 Ų | 132.1 | 85% | 0.848 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.3 | -25.2 | -180 | -75 | -170 | 173.7 | -175.2 | 0 | 114.3 | M1 | M1-K3 PolarHBondContact O-N 3.21Å |
| 4 | Q | 50.8 | Low | 64.7 | Low | 142 Ų | 142 | 128.4 Ų | 128.4 | 66% | 0.664 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -79.7 | -31 | -174.5 | -160.4 | 170 | 6.7 | 0 | 0 | 112.5 | M1 T2 F7 I8 | M1-Q4 PolarHBondContact O-N 2.83Å; T2-Q4 VanDerWaalsContact C-N 3.27Å; T2-Q4 PolarHBondContact O-N 3.02Å; Q4-F7 PolarHBondContact O-N 3.45Å; Q4-I8 PolarHBondContact O-N 3.41Å |
| 5 | K | 55.6 | Low | 65.4 | Low | 157 Ų | 157 | 124.4 Ų | 124.4 | 68% | 0.683 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.2 | -44.8 | 174.3 | -73.6 | -167.2 | 172.2 | -171.3 | 0 | 111.8 | F7 I8 T9 | K5-F7 PolarHBondContact O-N 3.38Å; K5-I8 PolarHBondContact O-N 2.84Å; K5-I8 VanDerWaalsContact O-N 3.15Å; K5-T9 PolarHBondContact O-N 3.43Å; K5-T9 PolarHBondContact O-OG1 3.13Å; K5-T9 VanDerWaalsContact O-OG1 3.14Å |
| 6 | N | 59.8 | Low | 66.2 | Low | 113 Ų | 113 | 123 Ų | 123 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.5 | -33.6 | -179.1 | -66.8 | 21.9 | 0 | 0 | 0 | 112.8 | T9 F10 | N6-T9 PolarHBondContact O-N 2.91Å; N6-F10 WeakPolarHBondContact O-CB 3.1Å; N6-F10 PolarHBondContact O-N 3.32Å |
| 7 | F | 60.3 | Low | 67 | Low | 139 Ų | 139 | 121.4 Ų | 121.4 | 61% | 0.61 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69 | -40.7 | 177.9 | -151.5 | -95.7 | 0 | 0 | 0 | 111.8 | Q4 K5 F10 Y11 | Q4-F7 PolarHBondContact O-N 3.45Å; K5-F7 PolarHBondContact O-N 3.38Å; F7-F10 PolarHBondContact O-N 3.02Å; F7-Y11 HydrophobicContact CD1-CD2 4.04Å; F7-Y11 HydrophobicContact CD1-CE2 4.3Å; F7-Y11 AromaticContact CE1-CD2 3.81Å; F7-Y11 HydrophobicContact CE1-CD2 3.81Å; F7-Y11 AromaticContact CE1-CE2 3.6Å; F7-Y11 HydrophobicContact CE1-CE2 3.6Å; F7-Y11 HydrophobicContact CZ-CE2 4.17Å; F7-Y11 PolarHBondContact O-N 3.21Å |
| 8 | I | 70.8 | Confident | 67.4 | Low | 102 Ų | 102 | 125.2 Ų | 125.2 | 52% | 0.523 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.5 | -43.3 | 174.1 | -61.3 | 169.7 | 0 | 0 | 0 | 110.5 | Q4 K5 F10 Y11 L12 | Q4-I8 PolarHBondContact O-N 3.41Å; K5-I8 PolarHBondContact O-N 2.84Å; K5-I8 VanDerWaalsContact O-N 3.15Å; I8-F10 VanDerWaalsContact C-N 3.35Å; I8-F10 PolarHBondContact O-N 3.33Å; I8-Y11 PolarHBondContact O-N 3.37Å; I8-L12 HydrophobicContact CG2-CD1 4.03Å; I8-L12 WeakPolarHBondContact O-CB 3.21Å; I8-L12 WeakPolarHBondContact O-CG 3.3Å; I8-L12 PolarHBondContact O-N 2.73Å |
| 9 | T | 73.6 | Confident | 67.8 | Low | 75 Ų | 75 | 122.8 Ų | 122.8 | 46% | 0.46 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.1 | -39.6 | 175.9 | -52.4 | 0 | 0 | 0 | 0 | 112.1 | K5 N6 L12 I13 | K5-T9 PolarHBondContact O-N 3.43Å; K5-T9 PolarHBondContact O-OG1 3.13Å; K5-T9 VanDerWaalsContact O-OG1 3.14Å; N6-T9 PolarHBondContact O-N 2.91Å; T9-L12 PolarHBondContact O-N 2.95Å; T9-I13 HydrophobicContact CG2-CD1 4.08Å; T9-I13 VanDerWaalsContact O-CG1 3.31Å; T9-I13 WeakPolarHBondContact O-CG1 3.44Å; T9-I13 PolarHBondContact O-N 2.99Å |
| 10 | F | 75.4 | Confident | 68 | Low | 133 Ų | 133 | 122 Ų | 122 | 58% | 0.583 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.5 | -42.5 | 177.5 | -160.7 | -107.5 | 0 | 0 | 0 | 111.8 | N6 F7 I8 I13 I14 | N6-F10 WeakPolarHBondContact O-CB 3.1Å; N6-F10 PolarHBondContact O-N 3.32Å; F7-F10 PolarHBondContact O-N 3.02Å; I8-F10 VanDerWaalsContact C-N 3.35Å; I8-F10 PolarHBondContact O-N 3.33Å; F10-I13 PolarHBondContact O-N 3.39Å; F10-I14 HydrophobicContact CD1-CD1 3.73Å; F10-I14 HydrophobicContact CE1-CD1 3.56Å; F10-I14 HydrophobicContact CZ-CD1 4.33Å; F10-I14 WeakPolarHBondContact O-CG1 3.3Å; F10-I14 PolarHBondContact O-N 3.08Å |
| 11 | Y | 75.8 | Confident | 67.9 | Low | 144 Ų | 144 | 121 Ų | 121 | 57% | 0.565 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.3 | -44.1 | 172.5 | -106.7 | -96.3 | 0 | 0 | 0 | 112.4 | F7 I8 I13 I14 T15 | F7-Y11 HydrophobicContact CD1-CD2 4.04Å; F7-Y11 HydrophobicContact CD1-CE2 4.3Å; F7-Y11 AromaticContact CE1-CD2 3.81Å; F7-Y11 HydrophobicContact CE1-CD2 3.81Å; F7-Y11 AromaticContact CE1-CE2 3.6Å; F7-Y11 HydrophobicContact CE1-CE2 3.6Å; F7-Y11 HydrophobicContact CZ-CE2 4.17Å; F7-Y11 PolarHBondContact O-N 3.21Å; I8-Y11 PolarHBondContact O-N 3.37Å; Y11-I13 VanDerWaalsContact C-N 3.31Å; Y11-I13 PolarHBondContact O-N 3.49Å; Y11-I14 PolarHBondContact O-N 3.17Å; Y11-T15 PolarHBondContact O-N 3Å; Y11-T15 PolarHBondContact O-OG1 3.04Å |
| 12 | L | 78 | Confident | 68.7 | Low | 99 Ų | 99 | 116.8 Ų | 116.8 | 52% | 0.518 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.1 | -36 | 176.3 | -79.3 | 167.9 | 0 | 0 | 0 | 113 | I8 T9 T15 L16 | I8-L12 HydrophobicContact CG2-CD1 4.03Å; I8-L12 WeakPolarHBondContact O-CB 3.21Å; I8-L12 WeakPolarHBondContact O-CG 3.3Å; I8-L12 PolarHBondContact O-N 2.73Å; T9-L12 PolarHBondContact O-N 2.95Å; L12-T15 WeakPolarHBondContact CA-OG1 3.43Å; L12-T15 PolarHBondContact O-OG1 3.17Å; L12-L16 VanDerWaalsContact O-CB 3.31Å; L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 PolarHBondContact O-N 3.32Å |
| 13 | I | 82.2 | Confident | 69.1 | Low | 86 Ų | 86 | 115.1 Ų | 115.1 | 44% | 0.441 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.4 | -41.7 | 174.9 | -70.6 | 165.2 | 0 | 0 | 0 | 110.5 | T9 F10 Y11 L16 I17 | T9-I13 HydrophobicContact CG2-CD1 4.08Å; T9-I13 VanDerWaalsContact O-CG1 3.31Å; T9-I13 WeakPolarHBondContact O-CG1 3.44Å; T9-I13 PolarHBondContact O-N 2.99Å; F10-I13 PolarHBondContact O-N 3.39Å; Y11-I13 VanDerWaalsContact C-N 3.31Å; Y11-I13 PolarHBondContact O-N 3.49Å; I13-L16 PolarHBondContact O-N 2.82Å; I13-I17 HydrophobicContact CG2-CD1 3.84Å; I13-I17 VanDerWaalsContact O-CG1 3.27Å; I13-I17 WeakPolarHBondContact O-CG1 3.38Å; I13-I17 PolarHBondContact O-N 3.31Å |
| 14 | I | 77 | Confident | 69.4 | Low | 81 Ų | 81 | 110.2 Ų | 110.2 | 42% | 0.415 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 176.7 | -70.7 | 172.4 | 0 | 0 | 0 | 111.1 | F10 Y11 I17 W18 | F10-I14 HydrophobicContact CD1-CD1 3.73Å; F10-I14 HydrophobicContact CE1-CD1 3.56Å; F10-I14 HydrophobicContact CZ-CD1 4.33Å; F10-I14 WeakPolarHBondContact O-CG1 3.3Å; F10-I14 PolarHBondContact O-N 3.08Å; Y11-I14 PolarHBondContact O-N 3.17Å; I14-I17 PolarHBondContact O-N 3.42Å; I14-W18 WeakPolarHBondContact O-CB 3.23Å; I14-W18 PolarHBondContact O-N 3.5Å |
| 15 | T | 75.4 | Confident | 69.3 | Low | 68 Ų | 68 | 106.3 Ų | 106.3 | 42% | 0.417 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68 | -35.9 | 176.1 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | Y11 L12 W18 V19 | Y11-T15 PolarHBondContact O-N 3Å; Y11-T15 PolarHBondContact O-OG1 3.04Å; L12-T15 WeakPolarHBondContact CA-OG1 3.43Å; L12-T15 PolarHBondContact O-OG1 3.17Å; T15-W18 PolarHBondContact O-N 3.05Å; T15-V19 WeakPolarHBondContact O-CB 3.28Å; T15-V19 VanDerWaalsContact O-CG2 3.26Å; T15-V19 WeakPolarHBondContact O-CG2 3.18Å; T15-V19 PolarHBondContact O-N 3.39Å |
| 16 | L | 78.1 | Confident | 68.7 | Low | 102 Ų | 102 | 105.5 Ų | 105.5 | 53% | 0.534 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 170.1 | -98.1 | 155.9 | 0 | 0 | 0 | 112.3 | L12 I13 V19 L20 | L12-L16 VanDerWaalsContact O-CB 3.31Å; L12-L16 WeakPolarHBondContact O-CB 3.43Å; L12-L16 PolarHBondContact O-N 3.32Å; I13-L16 PolarHBondContact O-N 2.82Å; L16-V19 PolarHBondContact O-N 2.95Å; L16-L20 HydrophobicContact CD2-CD1 3.98Å; L16-L20 WeakPolarHBondContact O-CB 2.92Å; L16-L20 WeakPolarHBondContact O-CD1 3.27Å; L16-L20 PolarHBondContact O-N 2.91Å |
| 17 | I | 79.9 | Confident | 67.9 | Low | 96 Ų | 96 | 106.6 Ų | 106.6 | 49% | 0.492 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 176.1 | -69.5 | 165.4 | 0 | 0 | 0 | 110.7 | I13 I14 N21 | I13-I17 HydrophobicContact CG2-CD1 3.84Å; I13-I17 VanDerWaalsContact O-CG1 3.27Å; I13-I17 WeakPolarHBondContact O-CG1 3.38Å; I13-I17 PolarHBondContact O-N 3.31Å; I14-I17 PolarHBondContact O-N 3.42Å; I17-N21 PolarHBondContact O-N 3.24Å; I17-N21 PolarHBondContact O-ND2 3.2Å |
| 18 | W | 73.8 | Confident | 66.9 | Low | 189 Ų | 189 | 104.5 Ų | 104.5 | 72% | 0.716 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.1 | -44.1 | 177.4 | -139.7 | 76.3 | 0 | 0 | 0 | 111.7 | I14 T15 N21 F22 | I14-W18 WeakPolarHBondContact O-CB 3.23Å; I14-W18 PolarHBondContact O-N 3.5Å; T15-W18 PolarHBondContact O-N 3.05Å; W18-N21 PolarHBondContact O-N 2.97Å; W18-F22 WeakPolarHBondContact O-CB 3.29Å; W18-F22 PolarHBondContact O-N 3.31Å |
| 19 | V | 74.9 | Confident | 65.4 | Low | 80 Ų | 80 | 105.2 Ų | 105.2 | 49% | 0.485 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.6 | -43 | 175.5 | 169.6 | 0 | 0 | 0 | 0 | 111.5 | T15 L16 N21 F22 V23 | T15-V19 WeakPolarHBondContact O-CB 3.28Å; T15-V19 VanDerWaalsContact O-CG2 3.26Å; T15-V19 WeakPolarHBondContact O-CG2 3.18Å; T15-V19 PolarHBondContact O-N 3.39Å; L16-V19 PolarHBondContact O-N 2.95Å; V19-N21 VanDerWaalsContact C-N 3.34Å; V19-N21 PolarHBondContact O-N 2.62Å; V19-F22 PolarHBondContact O-N 3.03Å; V19-V23 HydrophobicContact CG1-CG2 4.16Å; V19-V23 WeakPolarHBondContact O-CB 3.38Å; V19-V23 VanDerWaalsContact O-CG2 3.26Å; V19-V23 WeakPolarHBondContact O-CG2 3.41Å; V19-V23 PolarHBondContact O-N 3.18Å |
| 20 | L | 71.1 | Confident | 64.1 | Low | 106 Ų | 106 | 107.4 Ų | 107.4 | 56% | 0.555 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.3 | -41.8 | 175.3 | -97.8 | 87.1 | 0 | 0 | 0 | 111.8 | L16 V23 T24 | L16-L20 HydrophobicContact CD2-CD1 3.98Å; L16-L20 WeakPolarHBondContact O-CB 2.92Å; L16-L20 WeakPolarHBondContact O-CD1 3.27Å; L16-L20 PolarHBondContact O-N 2.91Å; L20-V23 PolarHBondContact O-N 2.93Å; L20-T24 WeakPolarHBondContact O-CG2 3.33Å; L20-T24 PolarHBondContact O-N 3.23Å; L20-T24 PolarHBondContact O-OG1 2.97Å; L20-T24 VanDerWaalsContact O-OG1 3.06Å |
| 21 | N | 66.4 | Low | 62.2 | Low | 101 Ų | 101 | 108.2 Ų | 108.2 | 54% | 0.54 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70 | -32.8 | 177 | -78.2 | -83.5 | 0 | 0 | 0 | 112.7 | I17 W18 V19 T24 A25 | I17-N21 PolarHBondContact O-N 3.24Å; I17-N21 PolarHBondContact O-ND2 3.2Å; W18-N21 PolarHBondContact O-N 2.97Å; V19-N21 VanDerWaalsContact C-N 3.34Å; V19-N21 PolarHBondContact O-N 2.62Å; N21-T24 WeakPolarHBondContact CA-OG1 3.39Å; N21-T24 PolarHBondContact O-OG1 2.7Å; N21-A25 WeakPolarHBondContact O-CB 3.26Å; N21-A25 PolarHBondContact O-N 3.48Å |
| 22 | F | 64.1 | Low | 60.2 | Low | 127 Ų | 127 | 110.2 Ų | 110.2 | 56% | 0.557 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71.3 | -39.6 | 175 | -160.9 | -93.9 | 0 | 0 | 0 | 111.7 | W18 V19 A25 Q26 | W18-F22 WeakPolarHBondContact O-CB 3.29Å; W18-F22 PolarHBondContact O-N 3.31Å; V19-F22 PolarHBondContact O-N 3.03Å; F22-A25 PolarHBondContact O-N 3.19Å; F22-Q26 HydrophobicContact CD1-CG 4.42Å; F22-Q26 HydrophobicContact CE1-CG 4.22Å; F22-Q26 WeakPolarHBondContact O-CG 3.37Å; F22-Q26 PolarHBondContact O-N 2.92Å; F22-Q26 VanDerWaalsContact O-N 3.12Å |
| 23 | V | 58.4 | Low | 58.6 | Low | 82 Ų | 82 | 110.4 Ų | 110.4 | 50% | 0.497 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.2 | -37.6 | 176.2 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | V19 L20 I27 | V19-V23 HydrophobicContact CG1-CG2 4.16Å; V19-V23 WeakPolarHBondContact O-CB 3.38Å; V19-V23 VanDerWaalsContact O-CG2 3.26Å; V19-V23 WeakPolarHBondContact O-CG2 3.41Å; V19-V23 PolarHBondContact O-N 3.18Å; L20-V23 PolarHBondContact O-N 2.93Å; V23-I27 HydrophobicContact CG1-CD1 4.48Å; V23-I27 WeakPolarHBondContact O-CG1 3.01Å |
| 24 | T | 55.9 | Low | 56.4 | Low | 93 Ų | 93 | 115 Ų | 115 | 57% | 0.571 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -73.2 | -30.1 | 172.6 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | L20 N21 Q26 I27 | L20-T24 WeakPolarHBondContact O-CG2 3.33Å; L20-T24 PolarHBondContact O-N 3.23Å; L20-T24 PolarHBondContact O-OG1 2.97Å; L20-T24 VanDerWaalsContact O-OG1 3.06Å; N21-T24 WeakPolarHBondContact CA-OG1 3.39Å; N21-T24 PolarHBondContact O-OG1 2.7Å; T24-Q26 VanDerWaalsContact C-N 3.32Å; T24-Q26 PolarHBondContact O-N 2.7Å; T24-I27 PolarHBondContact O-N 3.48Å |
| 25 | A | 49.1 | Very low | 55.4 | Low | 60 Ų | 60 | 113.6 Ų | 113.6 | 50% | 0.496 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -72 | -21.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N21 F22 | N21-A25 WeakPolarHBondContact O-CB 3.26Å; N21-A25 PolarHBondContact O-N 3.48Å; F22-A25 PolarHBondContact O-N 3.19Å |
| 26 | Q | 42.7 | Very low | 54.1 | Low | 140 Ų | 140 | 116.3 Ų | 116.3 | 65% | 0.654 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -2.7 | 176.3 | -72.9 | -66.1 | -59.2 | 0 | 0 | 114 | F22 T24 S28 | F22-Q26 HydrophobicContact CD1-CG 4.42Å; F22-Q26 HydrophobicContact CE1-CG 4.22Å; F22-Q26 WeakPolarHBondContact O-CG 3.37Å; F22-Q26 PolarHBondContact O-N 2.92Å; F22-Q26 VanDerWaalsContact O-N 3.12Å; T24-Q26 VanDerWaalsContact C-N 3.32Å; T24-Q26 PolarHBondContact O-N 2.7Å; Q26-S28 PolarHBondContact O-N 3.26Å |
| 27 | I | 44 | Very low | 53 | Low | 135 Ų | 135 | 117.7 Ų | 117.7 | 69% | 0.692 | 68% | 0.676 | S | S | * | * | trans | -99.8 | 66.8 | 173.1 | -55.8 | 168.5 | 0 | 0 | 0 | 109 | V23 T24 | V23-I27 HydrophobicContact CG1-CD1 4.48Å; V23-I27 WeakPolarHBondContact O-CG1 3.01Å; T24-I27 PolarHBondContact O-N 3.48Å | ||
| 28 | S | 39.2 | Very low | 52.2 | Low | 96 Ų | 96 | 116 Ų | 116 | 67% | 0.671 | 68% | 0.682 | S | S | * | * | trans | -138.8 | 38.2 | 172.9 | 67.6 | 0 | 0 | 0 | 0 | 112.9 | Q26 | Q26-S28 PolarHBondContact O-N 3.26Š| ||
| 29 | S | 37.8 | Very low | 51.4 | Low | 116 Ų | 116 | 113.2 Ų | 113.2 | 81% | 0.811 | 69% | 0.688 | S | S | * | * | trans | -132.1 | 100.4 | 174.6 | -66.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 30 | P | 47.1 | Very low | 50.5 | Low | 122 Ų | 122 | 120.3 Ų | 120.3 | 79% | 0.792 | 71% | 0.706 | S | S | * | * | trans | -109.3 | 91.4 | 173.2 | 35.3 | -24.3 | 0 | 0 | 0 | 111.2 | ||||
| 31 | N | 36.1 | Very low | 50 | Low | 150 Ų | 150 | 118.1 Ų | 118.1 | 80% | 0.802 | 71% | 0.709 | S | S | * | * | trans | -92.6 | 132.2 | 154.7 | -94.9 | 4.2 | 0 | 0 | 0 | 109.1 | ||||
| 32 | E | 34.3 | Very low | 49.5 | Very low | 186 Ų | 186 | 120.7 Ų | 120.7 | 87% | 0.869 | 72% | 0.723 | S | S | * | * | trans | 59.6 | 88.8 | 153.6 | -57.8 | -176 | 110.6 | 0 | 0 | 118.8 | ||||
| 33 | A | 43.1 | Very low | 49.7 | Very low | 103 Ų | 103 | 119.6 Ų | 119.6 | 85% | 0.851 | 73% | 0.728 | S | S | * | * | trans | -136.5 | 118 | 144.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | G35 | A33-G35 PolarHBondContact O-N 3.15Š| ||
| 34 | L | 37.2 | Very low | 49.7 | Very low | 183 Ų | 183 | 118.5 Ų | 118.5 | 96% | 0.958 | 73% | 0.734 | S | S | * | * | trans | -79.5 | 106.3 | -172.2 | -167.2 | 75.9 | 0 | 0 | 0 | 111.4 | ||||
| 35 | G | 55.2 | Low | 49.9 | Very low | 50 Ų | 50 | 119.7 Ų | 119.7 | 52% | 0.515 | 74% | 0.743 | S | S | . | * | P | Polyproline II helix | trans | -73.9 | 155.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A33 | A33-G35 PolarHBondContact O-N 3.15Š|
| 36 | P | 48.1 | Very low | 50.8 | Low | 125 Ų | 125 | 123 Ų | 123 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 141.1 | 174.3 | 27.5 | -34.4 | 0 | 0 | 0 | 110.5 | G38 | P36-G38 PolarHBondContact O-N 2.9Š|
| 37 | P | 55.2 | Low | 51.5 | Low | 131 Ų | 131 | 119.2 Ų | 119.2 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 124.4 | 177.6 | -25.3 | 34.5 | 0 | 0 | 0 | 111.4 | ||
| 38 | G | 62 | Low | 51.9 | Low | 60 Ų | 60 | 119 Ų | 119 | 62% | 0.619 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 156.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P36 R40 | P36-G38 PolarHBondContact O-N 2.9Å; G38-R40 PolarHBondContact O-N 3.12Å |
| 39 | P | 57 | Low | 52.7 | Low | 131 Ų | 131 | 123.6 Ų | 123.6 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 132.8 | 173.9 | 25.1 | -33.8 | 0 | 0 | 0 | 109.3 | G41 | P39-G41 PolarHBondContact O-N 3.43Š|
| 40 | R | 57.3 | Low | 53.4 | Low | 230 Ų | 230 | 121.5 Ų | 121.5 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | trans | -56.4 | 108.1 | 179.2 | 178.7 | -178.9 | -177.6 | 173.8 | 2.1 | 108.7 | G38 | G38-R40 PolarHBondContact O-N 3.12Š| ||
| 41 | G | 60.3 | Low | 53.3 | Low | 59 Ų | 59 | 118.9 Ų | 118.9 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 148 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | P39 | P39-G41 PolarHBondContact O-N 3.43Š|
| 42 | D | 55.3 | Low | 54.2 | Low | 155 Ų | 155 | 119.7 Ų | 119.7 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 140 | 179.1 | -66.4 | -63.5 | 0 | 0 | 0 | 110.5 | G44 | D42-G44 PolarHBondContact O-N 2.87Š|
| 43 | P | 67.7 | Low | 55.2 | Low | 104 Ų | 104 | 113.8 Ų | 113.8 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 120.9 | 174.1 | -23.8 | 33.7 | 0 | 0 | 0 | 109.4 | ||
| 44 | G | 60.1 | Low | 55.5 | Low | 59 Ų | 59 | 113.1 Ų | 113.1 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 142.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | D42 | D42-G44 PolarHBondContact O-N 2.87Š|
| 45 | P | 58.4 | Low | 56.7 | Low | 119 Ų | 119 | 110.3 Ų | 110.3 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 141.3 | 179.5 | 24 | -34.1 | 0 | 0 | 0 | 109 | G47 | P45-G47 PolarHBondContact O-N 2.72Å; P45-G47 VanDerWaalsContact O-N 3.14Å |
| 46 | P | 68.7 | Low | 57 | Low | 128 Ų | 128 | 111 Ų | 111 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 126.9 | 176.5 | -28 | 35 | 0 | 0 | 0 | 109.8 | ||
| 47 | G | 56.9 | Low | 57.1 | Low | 62 Ų | 62 | 110.9 Ų | 110.9 | 64% | 0.639 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 139.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109 | P45 E49 | P45-G47 PolarHBondContact O-N 2.72Å; P45-G47 VanDerWaalsContact O-N 3.14Å; G47-E49 PolarHBondContact O-N 3.04Å |
| 48 | P | 52.2 | Low | 57.4 | Low | 130 Ų | 130 | 116 Ų | 116 | 84% | 0.844 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 129.4 | -177.5 | 22.8 | -33.5 | 0 | 0 | 0 | 108.9 | G50 | P48-G50 PolarHBondContact O-N 3.37Å; P48-G50 VanDerWaalsContact O-N 3.16Å |
| 49 | E | 56.6 | Low | 57.3 | Low | 193 Ų | 193 | 115.6 Ų | 115.6 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 124.4 | -173.7 | -175.2 | 170 | -149.6 | 0 | 0 | 109.3 | G47 G51 | G47-E49 PolarHBondContact O-N 3.04Å; E49-G51 PolarHBondContact O-N 2.82Å |
| 50 | G | 52.5 | Low | 56.9 | Low | 71 Ų | 71 | 115 Ų | 115 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | trans | -57.6 | 100.4 | -165.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P48 I52 | P48-G50 PolarHBondContact O-N 3.37Å; P48-G50 VanDerWaalsContact O-N 3.16Å; G50-I52 PolarHBondContact O-N 3.17Å | ||
| 51 | G | 46.3 | Very low | 57.2 | Low | 68 Ų | 68 | 109.6 Ų | 109.6 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | -52.4 | 127.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | E49 G53 | E49-G51 PolarHBondContact O-N 2.82Å; G51-G53 PolarHBondContact O-N 3.03Å | ||
| 52 | I | 54.8 | Low | 57 | Low | 167 Ų | 167 | 109.8 Ų | 109.8 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | trans | -47.2 | 113.9 | -178.5 | -63.2 | 173.5 | 0 | 0 | 0 | 107.6 | G50 A54 | G50-I52 PolarHBondContact O-N 3.17Å; I52-A54 PolarHBondContact O-N 3.12Å | ||
| 53 | G | 55.4 | Low | 56.6 | Low | 62 Ų | 62 | 107.9 Ų | 107.9 | 64% | 0.639 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 126.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | G51 | G51-G53 PolarHBondContact O-N 3.03Š|
| 54 | A | 48.5 | Very low | 56.3 | Low | 89 Ų | 89 | 108.9 Ų | 108.9 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 127.2 | -174 | 0 | 0 | 0 | 0 | 0 | 109.4 | I52 G56 | I52-A54 PolarHBondContact O-N 3.12Å; A54-G56 PolarHBondContact O-N 3.12Å |
| 55 | P | 63 | Low | 56 | Low | 124 Ų | 124 | 109.4 Ų | 109.4 | 81% | 0.805 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 121.5 | -176.1 | -30.7 | 35.5 | 0 | 0 | 0 | 109.9 | ||
| 56 | G | 60.7 | Low | 55.4 | Low | 64 Ų | 64 | 111.1 Ų | 111.1 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 131.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 110 | A54 R58 | A54-G56 PolarHBondContact O-N 3.12Å; G56-R58 PolarHBondContact O-N 2.95Å; G56-R58 VanDerWaalsContact O-N 3.1Å |
| 57 | P | 50.7 | Low | 54.7 | Low | 123 Ų | 123 | 112.9 Ų | 112.9 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -51 | 123.9 | -164.8 | 20 | -33.2 | 0 | 0 | 0 | 109.1 | G59 | P57-G59 PolarHBondContact O-N 3.1Š|
| 58 | R | 61.1 | Low | 54.4 | Low | 239 Ų | 239 | 112.9 Ų | 112.9 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | trans | -43.9 | 116.3 | -177.6 | 176.9 | -179.6 | 179 | 176.9 | 0.5 | 107.3 | G56 | G56-R58 PolarHBondContact O-N 2.95Å; G56-R58 VanDerWaalsContact O-N 3.1Å | ||
| 59 | G | 59.6 | Low | 53.9 | Low | 51 Ų | 51 | 116 Ų | 116 | 53% | 0.526 | 76% | 0.759 | S | S | . | * | trans | -47.8 | 138.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | P57 | P57-G59 PolarHBondContact O-N 3.1Š| ||
| 60 | P | 47.9 | Very low | 53.5 | Low | 117 Ų | 117 | 118.5 Ų | 118.5 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | trans | -49.5 | 136.5 | -173.1 | 21.6 | -33.6 | 0 | 0 | 0 | 108.7 | G62 | P60-G62 PolarHBondContact O-N 3.05Å; P60-G62 VanDerWaalsContact O-N 3.12Å | ||
| 61 | P | 63.5 | Low | 53.6 | Low | 118 Ų | 118 | 118 Ų | 118 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | trans | -45.5 | 128.3 | 174.6 | -27.3 | 34.5 | 0 | 0 | 0 | 108.4 | ||||
| 62 | G | 57.9 | Low | 53.5 | Low | 62 Ų | 62 | 124 Ų | 124 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | trans | -48.9 | 136.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | P60 | P60-G62 PolarHBondContact O-N 3.05Å; P60-G62 VanDerWaalsContact O-N 3.12Å | ||
| 63 | P | 46.7 | Very low | 53.2 | Low | 116 Ų | 116 | 120.9 Ų | 120.9 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | trans | -50 | 136.1 | -175.3 | 22.1 | -33.5 | 0 | 0 | 0 | 108.4 | G65 | P63-G65 PolarHBondContact O-N 2.79Š| ||
| 64 | P | 61.6 | Low | 53.3 | Low | 125 Ų | 125 | 120.7 Ų | 120.7 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | -44.6 | 122.6 | 177.1 | -29.2 | 35.4 | 0 | 0 | 0 | 108.5 | I66 | P64-I66 PolarHBondContact O-N 3.16Å; P64-I66 VanDerWaalsContact O-N 3.12Å | ||
| 65 | G | 53.1 | Low | 53.4 | Low | 70 Ų | 70 | 122.6 Ų | 122.6 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -51.3 | 125.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | P63 D67 | P63-G65 PolarHBondContact O-N 2.79Å; G65-D67 PolarHBondContact O-N 3.16Å; G65-D67 VanDerWaalsContact O-N 3.17Å | ||
| 66 | I | 46.7 | Very low | 52.8 | Low | 154 Ų | 154 | 121.5 Ų | 121.5 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -42.4 | 124.5 | -169.1 | 47.9 | 171 | 0 | 0 | 0 | 110.2 | P64 G68 | P64-I66 PolarHBondContact O-N 3.16Å; P64-I66 VanDerWaalsContact O-N 3.12Å; I66-G68 PolarHBondContact O-N 3.14Å | ||
| 67 | D | 53 | Low | 52.4 | Low | 165 Ų | 165 | 121.8 Ų | 121.8 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | trans | -52.7 | 107.3 | 174.5 | -78.7 | -41.3 | 0 | 0 | 0 | 107 | G65 E69 | G65-D67 PolarHBondContact O-N 3.16Å; G65-D67 VanDerWaalsContact O-N 3.17Å; D67-E69 PolarHBondContact O-N 3.44Å | ||
| 68 | G | 51.4 | Low | 52.3 | Low | 63 Ų | 63 | 122.2 Ų | 122.2 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | trans | -55.3 | 136.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | I66 R70 | I66-G68 PolarHBondContact O-N 3.14Å; G68-R70 PolarHBondContact O-N 2.84Å | ||
| 69 | E | 41.5 | Very low | 52.2 | Low | 195 Ų | 195 | 117 Ų | 117 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | trans | -39.4 | 118.7 | -170.4 | -79.6 | -157.8 | 134.7 | 0 | 0 | 110.5 | D67 G71 | D67-E69 PolarHBondContact O-N 3.44Å; E69-G71 VanDerWaalsContact C-N 3.31Å; E69-G71 PolarHBondContact O-N 3.47Å | ||
| 70 | R | 48.1 | Very low | 52 | Low | 245 Ų | 245 | 117.8 Ų | 117.8 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | -57.2 | 99.1 | -175.5 | -173.6 | -174.3 | -162.2 | 172 | 8.6 | 108.2 | G68 Q72 | G68-R70 PolarHBondContact O-N 2.84Å; R70-Q72 PolarHBondContact O-N 3.06Å | ||
| 71 | G | 54.2 | Low | 52 | Low | 60 Ų | 60 | 118.7 Ų | 118.7 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | trans | -50.4 | 138.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | E69 A73 | E69-G71 VanDerWaalsContact C-N 3.31Å; E69-G71 PolarHBondContact O-N 3.47Å; G71-A73 PolarHBondContact O-N 3.09Å; G71-A73 VanDerWaalsContact O-N 3.12Å | ||
| 72 | Q | 45.1 | Very low | 51.7 | Low | 195 Ų | 195 | 119.1 Ų | 119.1 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | trans | -43.7 | 124.7 | -177.6 | -70.6 | -173.9 | 0.2 | 0 | 0 | 109.4 | R70 G74 | R70-Q72 PolarHBondContact O-N 3.06Å; Q72-G74 PolarHBondContact O-N 3.15Å | ||
| 73 | A | 47.8 | Very low | 51.6 | Low | 102 Ų | 102 | 119.4 Ų | 119.4 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -54 | 112.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | G71 | G71-A73 PolarHBondContact O-N 3.09Å; G71-A73 VanDerWaalsContact O-N 3.12Å | ||
| 74 | G | 56.9 | Low | 51.3 | Low | 57 Ų | 57 | 126 Ų | 126 | 59% | 0.588 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 144.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q72 A76 | Q72-G74 PolarHBondContact O-N 3.15Å; G74-A76 PolarHBondContact O-N 2.9Å; G74-A76 VanDerWaalsContact O-N 3.15Å |
| 75 | P | 50.7 | Low | 50.8 | Low | 129 Ų | 129 | 127.5 Ų | 127.5 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 127.1 | -179.8 | 23.1 | -33.7 | 0 | 0 | 0 | 108.9 | G77 | P75-G77 PolarHBondContact O-N 3.16Š|
| 76 | A | 50.2 | Low | 50.6 | Low | 102 Ų | 102 | 128.1 Ų | 128.1 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 116.4 | -167.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G74 T78 | G74-A76 PolarHBondContact O-N 2.9Å; G74-A76 VanDerWaalsContact O-N 3.15Å; A76-T78 PolarHBondContact O-N 2.89Å |
| 77 | G | 53 | Low | 50.3 | Low | 69 Ų | 69 | 132 Ų | 132 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 130.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P75 | P75-G77 PolarHBondContact O-N 3.16Š|
| 78 | T | 48.6 | Very low | 50 | Low | 132 Ų | 132 | 129.1 Ų | 129.1 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 129 | 173.5 | 47.7 | 0 | 0 | 0 | 0 | 109 | A76 G80 | A76-T78 PolarHBondContact O-N 2.89Å; T78-G80 PolarHBondContact O-N 3.09Å; T78-G80 VanDerWaalsContact O-N 3.08Å |
| 79 | P | 59.4 | Low | 49.5 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -50 | 119.9 | -176.7 | -30.5 | 36 | 0 | 0 | 0 | 111.6 | T81 | P79-T81 PolarHBondContact O-N 3.44Š|
| 80 | G | 54.5 | Low | 49.4 | Very low | 69 Ų | 69 | 126.6 Ų | 126.6 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 133.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | T78 | T78-G80 PolarHBondContact O-N 3.09Å; T78-G80 VanDerWaalsContact O-N 3.08Å |
| 81 | T | 47.9 | Very low | 49.4 | Very low | 135 Ų | 135 | 120.9 Ų | 120.9 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 125.7 | 173.6 | 49.1 | 0 | 0 | 0 | 0 | 109 | P79 G83 | P79-T81 PolarHBondContact O-N 3.44Å; T81-G83 PolarHBondContact O-N 3.39Å |
| 82 | P | 58.1 | Low | 48.9 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 131.9 | -178.2 | -30.2 | 36.2 | 0 | 0 | 0 | 112.3 | ||
| 83 | G | 54.7 | Low | 48.9 | Very low | 69 Ų | 69 | 118.2 Ų | 118.2 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59 | 146.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T81 D85 | T81-G83 PolarHBondContact O-N 3.39Å; G83-D85 PolarHBondContact O-N 3.01Å |
| 84 | R | 40.8 | Very low | 48.6 | Very low | 254 Ų | 254 | 122.5 Ų | 122.5 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 123.8 | 178.9 | -75.1 | 178.5 | 167.3 | -178.2 | -3.5 | 110.6 | ||
| 85 | D | 50.8 | Low | 48 | Very low | 156 Ų | 156 | 123.2 Ų | 123.2 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 135.4 | 172.8 | -60.2 | -53.8 | 0 | 0 | 0 | 112.5 | G83 | G83-D85 PolarHBondContact O-N 3.01Š|
| 86 | G | 48.7 | Very low | 47.6 | Very low | 84 Ų | 84 | 122.9 Ų | 122.9 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71 | 142.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 87 | R | 41.8 | Very low | 47.4 | Very low | 235 Ų | 235 | 124.4 Ų | 124.4 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | -109.2 | 156.4 | -174.9 | -73.5 | -175 | 177.5 | -177.8 | -2.3 | 111 | ||||
| 88 | S | 46.6 | Very low | 46.8 | Very low | 105 Ų | 105 | 124.6 Ų | 124.6 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | cis | -173 | 169.2 | -10.5 | -92.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 89 | G | 40.9 | Very low | 46.5 | Very low | 71 Ų | 71 | 124.8 Ų | 124.8 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | -168.3 | 71.4 | 170 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 90 | V | 39.8 | Very low | 45.6 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | 36.2 | 145.8 | 90 | -77.9 | 0 | 0 | 0 | 0 | 117 | |||||
| 91 | P | 46.5 | Very low | 45.1 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | cis | -138.7 | 168.5 | 14.5 | 39.5 | -21.1 | 0 | 0 | 0 | 119.1 | ||||
| 92 | G | 45.2 | Very low | 45 | Very low | 71 Ų | 71 | 130.3 Ų | 130.3 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | trans | 96.3 | 141 | 147.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 93 | V | 43.4 | Very low | 44.2 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 78% | 0.782 | 82% | 0.824 | S | S | * | * | cis | -149.8 | 131.1 | -3.1 | -111.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 94 | Q | 42.4 | Very low | 44 | Very low | 191 Ų | 191 | 131 Ų | 131 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | 57.5 | 130.6 | 100.6 | -173.4 | -178.8 | -10.8 | 0 | 0 | 115.1 | |||||
| 95 | G | 45.2 | Very low | 44.1 | Very low | 73 Ų | 73 | 125 Ų | 125 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | cis | -163.7 | -175.4 | 0.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 96 | S | 41.4 | Very low | 44.2 | Very low | 121 Ų | 121 | 123.8 Ų | 123.8 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | cis | -156.7 | 167.8 | 29.3 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 97 | P | 45.6 | Very low | 43.7 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -123 | 170.9 | -165.1 | 42.5 | -31.1 | 0 | 0 | 0 | 116.8 | ||||
| 98 | G | 41.7 | Very low | 43.4 | Very low | 73 Ų | 73 | 121 Ų | 121 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | 134 | 161.3 | 152.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 99 | P | 40.9 | Very low | 43.5 | Very low | 135 Ų | 135 | 121.6 Ų | 121.6 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | cis | -113.1 | 174.4 | -1 | 40.3 | -30.3 | 0 | 0 | 0 | 114.3 | ||||
| 100 | Q | 41 | Very low | 43.4 | Very low | 206 Ų | 206 | 122.2 Ų | 122.2 | 96% | 0.963 | 82% | 0.817 | S | S | * | * | trans | -101.7 | 157.6 | 167.8 | -75.9 | -178.3 | -52.4 | 0 | 0 | 112.1 | ||||
| 101 | G | 44.8 | Very low | 43.1 | Very low | 68 Ų | 68 | 119.9 Ų | 119.9 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | trans | 171 | 138.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 102 | I | 44.7 | Very low | 42.9 | Very low | 176 Ų | 176 | 123.8 Ų | 123.8 | 90% | 0.903 | 83% | 0.827 | S | S | * | * | cis | -148.5 | 158.3 | -6.3 | 1.6 | 173.4 | 0 | 0 | 0 | 108.4 | ||||
| 103 | V | 42.2 | Very low | 42.5 | Very low | 147 Ų | 147 | 123.9 Ų | 123.9 | 89% | 0.891 | 83% | 0.829 | S | S | * | * | trans | -82.1 | 134.3 | 176 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 104 | G | 50 | Low | 42.6 | Very low | 64 Ų | 64 | 123.3 Ų | 123.3 | 66% | 0.66 | 83% | 0.83 | S | S | * | * | trans | -112.8 | 143.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 105 | P | 43.8 | Very low | 42.9 | Very low | 127 Ų | 127 | 120.5 Ų | 120.5 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | trans | -91.8 | 169 | -164.4 | 36.5 | -37.4 | 0 | 0 | 0 | 115.3 | ||||
| 106 | P | 50.8 | Low | 42.7 | Very low | 131 Ų | 131 | 120.4 Ų | 120.4 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | trans | -100.2 | 147.9 | -170.6 | 4 | 18.1 | 0 | 0 | 0 | 115.6 | ||||
| 107 | G | 40.1 | Very low | 43.1 | Very low | 71 Ų | 71 | 120.9 Ų | 120.9 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | trans | 81.9 | 160.2 | 153.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 108 | E | 34 | Very low | 42.8 | Very low | 190 Ų | 190 | 122.1 Ų | 122.1 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | cis | -140.6 | -127.1 | -23 | -78 | -158.5 | 126.4 | 0 | 0 | 110.5 | ||||
| 109 | P | 49.2 | Very low | 42.6 | Very low | 117 Ų | 117 | 121.6 Ų | 121.6 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | -125.7 | 162.8 | -124.9 | 37.9 | -18.5 | 0 | 0 | 0 | 117.6 | |||||
| 110 | G | 39 | Very low | 42.5 | Very low | 84 Ų | 84 | 123.5 Ų | 123.5 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | 99.5 | 147.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 111 | G | 33.6 | Very low | 42.5 | Very low | 83 Ų | 83 | 122.2 Ų | 122.2 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | cis | -163.3 | -160.6 | 4.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 112 | E | 41.1 | Very low | 42.1 | Very low | 207 Ų | 207 | 122.1 Ų | 122.1 | 97% | 0.967 | 80% | 0.8 | S | S | * | * | trans | -88.8 | 155.4 | -166.8 | -179.5 | 176.7 | -165 | 0 | 0 | 114.5 | ||||
| 113 | G | 38 | Very low | 41.6 | Very low | 74 Ų | 74 | 122.6 Ų | 122.6 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | trans | 149.1 | 117.5 | 162 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 114 | S | 46.1 | Very low | 41.5 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -113.1 | 146.2 | 177.9 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 115 | P | 48 | Very low | 41.1 | Very low | 133 Ų | 133 | 122.2 Ų | 122.2 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -77 | 145.3 | 168.5 | -15.5 | 31.3 | 0 | 0 | 0 | 112.7 | ||||
| 116 | G | 40.3 | Very low | 40.9 | Very low | 70 Ų | 70 | 124 Ų | 124 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | -115.5 | -128.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 117 | P | 50.4 | Low | 40.6 | Very low | 131 Ų | 131 | 125.6 Ų | 125.6 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | -132.4 | 167.1 | -123.5 | 39.9 | -23.8 | 0 | 0 | 0 | 117.3 | |||||
| 118 | Q | 39.1 | Very low | 40.5 | Very low | 161 Ų | 161 | 125 Ų | 125 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -157.3 | 154 | 160.5 | -122 | 167.1 | -27.6 | 0 | 0 | 106.9 | Y120 | Q118-Y120 HydrophobicContact CG-CE2 3.98Å; Q118-Y120 PolarHBondContact NE2-OH 3.1Å | ||
| 119 | G | 38 | Very low | 40.7 | Very low | 63 Ų | 63 | 121.7 Ų | 121.7 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | cis | 136.6 | 136.2 | 14.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 120 | Y | 38.8 | Very low | 40.3 | Very low | 175 Ų | 175 | 122 Ų | 122 | 69% | 0.686 | 77% | 0.774 | S | S | * | * | cis | -153.9 | 147.8 | 27.6 | -78.8 | -87.4 | 0 | 0 | 0 | 109.5 | Q118 | Q118-Y120 HydrophobicContact CG-CE2 3.98Å; Q118-Y120 PolarHBondContact NE2-OH 3.1Å | ||
| 121 | Q | 40.3 | Very low | 40.1 | Very low | 178 Ų | 178 | 121 Ų | 121 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | 55.3 | 131.4 | 95.2 | -158.1 | -175.8 | -18.5 | 0 | 0 | 115.8 | |||||
| 122 | G | 36.9 | Very low | 40 | Very low | 66 Ų | 66 | 125.4 Ų | 125.4 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | cis | 160.1 | 162.2 | -11.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 123 | Q | 35 | Very low | 40.1 | Very low | 187 Ų | 187 | 122.8 Ų | 122.8 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | trans | 74.8 | 160.5 | 159.4 | -62.8 | -168.4 | 4.4 | 0 | 0 | 122.5 | ||||
| 124 | T | 39.5 | Very low | 39.8 | Very low | 144 Ų | 144 | 121.8 Ų | 121.8 | 88% | 0.883 | 74% | 0.742 | S | S | * | * | trans | 82.6 | 127.6 | 169.8 | -34.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 125 | G | 41.5 | Very low | 39.4 | Very low | 58 Ų | 58 | 125.2 Ų | 125.2 | 60% | 0.598 | 75% | 0.745 | S | S | * | * | cis | 168.2 | 167.2 | -5.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 126 | D | 40.3 | Very low | 38.9 | Very low | 166 Ų | 166 | 128.5 Ų | 128.5 | 89% | 0.888 | 75% | 0.745 | S | S | * | * | trans | 62.2 | 152.3 | 169.4 | -63.6 | -14.5 | 0 | 0 | 0 | 117 | ||||
| 127 | K | 42.6 | Very low | 38.7 | Very low | 163 Ų | 163 | 128.4 Ų | 128.4 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | cis | -162 | 139.8 | -18.4 | 173.2 | -176.9 | 176.3 | -155 | 0 | 103.5 | D129 | K127-D129 VanDerWaalsContact CE-CG 3.41Å; K127-D129 WeakPolarHBondContact CE-OD1 3.44Å; K127-D129 WeakPolarHBondContact CE-OD2 3.08Å; K127-D129 IonicContact NZ-OD1 3.38Å; K127-D129 IonicContact NZ-OD2 2.74Å; K127-D129 PolarHBondContact NZ-OD2 3.1Å | ||
| 128 | G | 39.4 | Very low | 38.1 | Very low | 59 Ų | 59 | 128 Ų | 128 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | cis | 97.2 | 119.2 | 46.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 129 | D | 38.7 | Very low | 38 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 65% | 0.647 | 75% | 0.75 | S | S | * | * | 164.5 | 131.9 | 126.7 | -75.1 | -14 | 0 | 0 | 0 | 111.6 | K127 | K127-D129 VanDerWaalsContact CE-CG 3.41Å; K127-D129 WeakPolarHBondContact CE-OD1 3.44Å; K127-D129 WeakPolarHBondContact CE-OD2 3.08Å; K127-D129 IonicContact NZ-OD1 3.38Å; K127-D129 IonicContact NZ-OD2 2.74Å; K127-D129 PolarHBondContact NZ-OD2 3.1Å | |||
| 130 | T | 40.8 | Very low | 38.9 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | 24.8 | 146.6 | 154.5 | 56.5 | 0 | 0 | 0 | 0 | 123 | F132 | T130-F132 HydrophobicContact CG2-CD2 4.33Å; T130-F132 HydrophobicContact CG2-CE2 3.84Å | ||
| 131 | G | 33.5 | Very low | 39.3 | Very low | 62 Ų | 62 | 123.7 Ų | 123.7 | 64% | 0.639 | 73% | 0.731 | S | S | * | * | cis | 125.9 | 162.7 | 3.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 132 | F | 31.4 | Very low | 39.3 | Very low | 176 Ų | 176 | 120.5 Ų | 120.5 | 77% | 0.772 | 72% | 0.718 | S | S | * | * | trans | 71.6 | 142.4 | 170.2 | -51.8 | -73.7 | 0 | 0 | 0 | 115.8 | T130 | T130-F132 HydrophobicContact CG2-CD2 4.33Å; T130-F132 HydrophobicContact CG2-CE2 3.84Å | ||
| 133 | D | 42.6 | Very low | 39.6 | Very low | 153 Ų | 153 | 119.7 Ų | 119.7 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | cis | -146.7 | 171.6 | 5.7 | -96.5 | -39.5 | 0 | 0 | 0 | 111.1 | ||||
| 134 | G | 32.2 | Very low | 39.7 | Very low | 53 Ų | 53 | 116.9 Ų | 116.9 | 55% | 0.546 | 71% | 0.708 | S | S | . | * | cis | 158.8 | 28.8 | -3.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 135 | H | 38.6 | Very low | 40.1 | Very low | 188 Ų | 188 | 117.9 Ų | 117.9 | 87% | 0.87 | 70% | 0.702 | S | S | * | * | trans | -135.1 | 124.3 | 174.9 | -58.3 | -40.3 | 0 | 0 | 0 | 111.2 | ||||
| 136 | K | 37.6 | Very low | 40.3 | Very low | 201 Ų | 201 | 117.5 Ų | 117.5 | 87% | 0.874 | 70% | 0.698 | S | S | * | * | cis | 73.1 | 120.3 | 45.2 | -160.5 | 179.8 | -173.5 | -179.3 | 0 | 110.9 | ||||
| 137 | G | 35.1 | Very low | 40.3 | Very low | 69 Ų | 69 | 115.9 Ų | 115.9 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | cis | 112.3 | 139.2 | 25.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 138 | S | 37.5 | Very low | 40.5 | Very low | 122 Ų | 122 | 115.2 Ų | 115.2 | 85% | 0.853 | 70% | 0.696 | S | S | * | * | cis | -174.7 | 151.5 | 8.5 | 51.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 139 | Q | 38.6 | Very low | 41 | Very low | 185 Ų | 185 | 115 Ų | 115 | 86% | 0.864 | 69% | 0.693 | S | S | * | * | trans | -155.4 | 144.1 | 163.8 | -156.7 | 170.4 | -20.4 | 0 | 0 | 113.4 | ||||
| 140 | G | 56.2 | Low | 41.2 | Very low | 35 Ų | 35 | 115.3 Ų | 115.3 | 36% | 0.361 | 70% | 0.702 | S | S | . | * | trans | -92.4 | -153.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R752 | G140-R752 WeakPolarHBondContact CA-O 3.47Š| ||
| 141 | P | 47.1 | Very low | 41.6 | Very low | 89 Ų | 89 | 114.2 Ų | 114.2 | 58% | 0.578 | 70% | 0.696 | S | S | * | * | cis | -142.5 | -126.7 | 3 | 43.1 | -21.2 | 0 | 0 | 0 | 111.9 | R752 A754 | P141-R752 WeakPolarHBondContact O-CD 3Å; P141-R752 WeakPolarHBondContact O-CG 3.25Å; P141-A754 WeakPolarHBondContact CD-O 3.22Å; P141-A754 VanDerWaalsContact O-O 3.07Å | ||
| 142 | M | 39.8 | Very low | 42.5 | Very low | 110 Ų | 110 | 113.8 Ų | 113.8 | 54% | 0.542 | 69% | 0.691 | S | S | . | * | trans | 106 | 126.2 | 163.7 | -153.2 | 167.2 | 84.2 | 0 | 0 | 116.7 | R752 P755 | M142-R752 VanDerWaalsContact O-CD 3.23Å; M142-R752 WeakPolarHBondContact O-CD 3.2Å; M142-R752 PolarHBondContact O-NE 3.1Å; M142-R752 PolarHBondContact O-NH1 3.37Å; M142-P755 HydrophobicContact CE-CG 3.59Å; M142-P755 VanDerWaalsContact SD-CD 3.51Å; M142-P755 HydrophobicContact SD-CG 4.02Å | ||
| 143 | G | 44.3 | Very low | 43.2 | Very low | 49 Ų | 49 | 111.6 Ų | 111.6 | 51% | 0.505 | 69% | 0.694 | S | S | . | * | trans | -77.1 | -176.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q145 | G143-Q145 PolarHBondContact O-N 3.3Š| ||
| 144 | P | 37.2 | Very low | 43.4 | Very low | 129 Ų | 129 | 110.2 Ų | 110.2 | 84% | 0.838 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 123 | 178.1 | 27.7 | -33.6 | 0 | 0 | 0 | 110.2 | G146 | P144-G146 PolarHBondContact O-N 3.06Š|
| 145 | Q | 46.2 | Very low | 44.3 | Very low | 165 Ų | 165 | 110.1 Ų | 110.1 | 77% | 0.771 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 133.1 | 166.7 | -174.9 | 171 | -13.9 | 0 | 0 | 108.2 | G143 | G143-Q145 PolarHBondContact O-N 3.3Š|
| 146 | G | 46 | Very low | 44.5 | Very low | 50 Ų | 50 | 107 Ų | 107 | 52% | 0.515 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 157.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P144 Q148 | P144-G146 PolarHBondContact O-N 3.06Å; G146-Q148 PolarHBondContact O-N 3.28Å; G146-Q148 VanDerWaalsContact O-N 3.09Å |
| 147 | P | 41.2 | Very low | 45 | Very low | 132 Ų | 132 | 103.2 Ų | 103.2 | 86% | 0.857 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 122.7 | 178.4 | 23.9 | -33.7 | 0 | 0 | 0 | 109.2 | G149 | P147-G149 PolarHBondContact O-N 2.94Å; P147-G149 VanDerWaalsContact O-N 3.15Å |
| 148 | Q | 46.8 | Very low | 45.6 | Very low | 149 Ų | 149 | 102.8 Ų | 102.8 | 70% | 0.696 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 121.6 | 178.1 | 179.2 | 172.4 | -16.3 | 0 | 0 | 108.1 | G146 T151 | G146-Q148 PolarHBondContact O-N 3.28Å; G146-Q148 VanDerWaalsContact O-N 3.09Å; Q148-T151 PolarHBondContact NE2-OG1 3.43Å |
| 149 | G | 50.2 | Low | 45.7 | Very low | 53 Ų | 53 | 103 Ų | 103 | 55% | 0.546 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -52.4 | 140.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | P147 T151 | P147-G149 PolarHBondContact O-N 2.94Å; P147-G149 VanDerWaalsContact O-N 3.15Å; G149-T151 PolarHBondContact O-N 2.99Å |
| 150 | P | 43.3 | Very low | 45.8 | Very low | 129 Ų | 129 | 102.7 Ų | 102.7 | 84% | 0.838 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 119 | -168 | 21.3 | -33.5 | 0 | 0 | 0 | 109.6 | G152 | P150-G152 PolarHBondContact O-N 3.19Š|
| 151 | T | 48.3 | Very low | 45.4 | Very low | 100 Ų | 100 | 103.5 Ų | 103.5 | 61% | 0.613 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 117.5 | 178.9 | -55.8 | 0 | 0 | 0 | 0 | 107.7 | Q148 G149 | Q148-T151 PolarHBondContact NE2-OG1 3.43Å; G149-T151 PolarHBondContact O-N 2.99Å |
| 152 | G | 52.2 | Low | 45 | Very low | 52 Ų | 52 | 105 Ų | 105 | 54% | 0.536 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -51.2 | 142.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | P150 V154 | P150-G152 PolarHBondContact O-N 3.19Å; G152-V154 PolarHBondContact O-N 3.26Å |
| 153 | P | 46.3 | Very low | 45.2 | Very low | 130 Ų | 130 | 105.4 Ų | 105.4 | 84% | 0.844 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 122 | -170.9 | 21 | -33.4 | 0 | 0 | 0 | 109.2 | G155 | P153-G155 PolarHBondContact O-N 2.94Š|
| 154 | V | 46.2 | Very low | 45.2 | Very low | 125 Ų | 125 | 106 Ų | 106 | 76% | 0.758 | 71% | 0.713 | S | S | * | * | trans | -53.8 | 114.5 | -177.5 | 175.5 | 0 | 0 | 0 | 0 | 106.6 | G152 | G152-V154 PolarHBondContact O-N 3.26Š| ||
| 155 | G | 51.6 | Low | 45.3 | Very low | 51 Ų | 51 | 106 Ų | 106 | 53% | 0.526 | 71% | 0.713 | S | S | . | * | P | Polyproline II helix | trans | -52.2 | 135.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | P153 | P153-G155 PolarHBondContact O-N 2.94Š|
| 156 | P | 43.5 | Very low | 45.4 | Very low | 121 Ų | 121 | 103.8 Ų | 103.8 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 130.4 | -175.9 | 21.9 | -33.5 | 0 | 0 | 0 | 108.2 | G158 | P156-G158 PolarHBondContact O-N 3.02Š|
| 157 | P | 46.6 | Very low | 45.4 | Very low | 122 Ų | 122 | 104.3 Ų | 104.3 | 79% | 0.792 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 117.1 | -171.7 | -31.5 | 35.5 | 0 | 0 | 0 | 110.2 | ||
| 158 | G | 48.6 | Very low | 45.3 | Very low | 61 Ų | 61 | 104.2 Ų | 104.2 | 63% | 0.629 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -51 | 131.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | P156 M160 | P156-G158 PolarHBondContact O-N 3.02Å; G158-M160 PolarHBondContact O-N 3.05Å |
| 159 | P | 39.1 | Very low | 45 | Very low | 127 Ų | 127 | 107.8 Ų | 107.8 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 119.2 | -169.2 | 21 | -33.3 | 0 | 0 | 0 | 108.4 | G161 | P159-G161 PolarHBondContact O-N 3.44Š|
| 160 | M | 41.6 | Very low | 44.8 | Very low | 177 Ų | 177 | 108.2 Ų | 108.2 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | trans | -47.8 | 112.4 | -165 | 178.9 | 173.9 | 66.7 | 0 | 0 | 109.1 | G158 | G158-M160 PolarHBondContact O-N 3.05Š| ||
| 161 | G | 47.9 | Very low | 44.5 | Very low | 52 Ų | 52 | 111.2 Ų | 111.2 | 54% | 0.536 | 74% | 0.735 | S | S | . | * | P | Polyproline II helix | trans | -53.1 | 134.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | P159 | P159-G161 PolarHBondContact O-N 3.44Š|
| 162 | P | 38.6 | Very low | 44.3 | Very low | 120 Ų | 120 | 111.4 Ų | 111.4 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 129.9 | 179.6 | 23.1 | -33.1 | 0 | 0 | 0 | 108 | G164 | P162-G164 PolarHBondContact O-N 3.02Å; P162-G164 VanDerWaalsContact O-N 3.16Å |
| 163 | P | 44.5 | Very low | 44.1 | Very low | 119 Ų | 119 | 111.8 Ų | 111.8 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 127 | -179.2 | -30.1 | 35.9 | 0 | 0 | 0 | 110.1 | ||
| 164 | G | 44.1 | Very low | 43.8 | Very low | 62 Ų | 62 | 111.7 Ų | 111.7 | 64% | 0.639 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 138.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | P162 S166 | P162-G164 PolarHBondContact O-N 3.02Å; P162-G164 VanDerWaalsContact O-N 3.16Å; G164-S166 PolarHBondContact O-N 3.16Å; G164-S166 VanDerWaalsContact O-N 3.14Å |
| 165 | P | 38.5 | Very low | 43.6 | Very low | 128 Ų | 128 | 112.6 Ų | 112.6 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 124.2 | -173.1 | 23.6 | -33.7 | 0 | 0 | 0 | 109.9 | G167 | P165-G167 PolarHBondContact O-N 3.21Š|
| 166 | S | 48.3 | Very low | 43.3 | Very low | 120 Ų | 120 | 113.3 Ų | 113.3 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -51 | 125 | 173.5 | -60.7 | 0 | 0 | 0 | 0 | 109.2 | G164 | G164-S166 PolarHBondContact O-N 3.16Å; G164-S166 VanDerWaalsContact O-N 3.14Å |
| 167 | G | 45.2 | Very low | 43.1 | Very low | 61 Ų | 61 | 119.3 Ų | 119.3 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 152 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P165 R169 | P165-G167 PolarHBondContact O-N 3.21Å; G167-R169 PolarHBondContact O-N 3.3Å |
| 168 | P | 39.2 | Very low | 42.6 | Very low | 130 Ų | 130 | 118.3 Ų | 118.3 | 84% | 0.844 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 132.7 | -176.9 | 23.4 | -33.9 | 0 | 0 | 0 | 110.2 | G170 | P168-G170 PolarHBondContact O-N 2.84Š|
| 169 | R | 42.3 | Very low | 42.5 | Very low | 224 Ų | 224 | 119 Ų | 119 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | -57.4 | 109.2 | 175.5 | 176.6 | 178.4 | 177.2 | 166.6 | 0.1 | 108.2 | G167 | G167-R169 PolarHBondContact O-N 3.3Š| ||
| 170 | G | 44.9 | Very low | 42.3 | Very low | 62 Ų | 62 | 119.8 Ų | 119.8 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | trans | -52.9 | 143.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P168 | P168-G170 PolarHBondContact O-N 2.84Š| ||
| 171 | E | 37.4 | Very low | 42.2 | Very low | 192 Ų | 192 | 119.9 Ų | 119.9 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | trans | -56.2 | 143.3 | -175.2 | -63.2 | -174.1 | 125.9 | 0 | 0 | 111.5 | G173 | E171-G173 PolarHBondContact O-N 3.07Š| ||
| 172 | S | 44.1 | Very low | 42.5 | Very low | 103 Ų | 103 | 120.1 Ų | 120.1 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | -63.8 | 101.4 | 177.6 | -59.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 173 | G | 48.6 | Very low | 42.6 | Very low | 61 Ų | 61 | 120.7 Ų | 120.7 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | trans | -53.9 | 146.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | E171 | E171-G173 PolarHBondContact O-N 3.07Š| ||
| 174 | P | 40.2 | Very low | 42.6 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -61 | 142.8 | -171.8 | 25.3 | -35.1 | 0 | 0 | 0 | 112.2 | G176 | P174-G176 PolarHBondContact O-N 3.41Å; P174-G176 VanDerWaalsContact O-N 3.07Å | ||
| 175 | T | 40.5 | Very low | 43 | Very low | 143 Ų | 143 | 123.7 Ų | 123.7 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -48.9 | 113.2 | -176.4 | -52.4 | 0 | 0 | 0 | 0 | 112.1 | R177 | T175-R177 PolarHBondContact O-N 3.06Š| ||
| 176 | G | 45.8 | Very low | 43.2 | Very low | 67 Ų | 67 | 123.9 Ų | 123.9 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 135.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P174 | P174-G176 PolarHBondContact O-N 3.41Å; P174-G176 VanDerWaalsContact O-N 3.07Å |
| 177 | R | 38.8 | Very low | 43 | Very low | 247 Ų | 247 | 124 Ų | 124 | 93% | 0.932 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 146.4 | 176 | -73.8 | -179.1 | 170.4 | -179.5 | -3.4 | 110.8 | T175 G179 | T175-R177 PolarHBondContact O-N 3.06Å; R177-G179 PolarHBondContact O-N 3.27Å |
| 178 | A | 36.8 | Very low | 43.1 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -56 | 132.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 179 | G | 45.6 | Very low | 43.1 | Very low | 76 Ų | 76 | 125.4 Ų | 125.4 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 144.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R177 | R177-G179 PolarHBondContact O-N 3.27Š|
| 180 | V | 36.4 | Very low | 43.2 | Very low | 143 Ų | 143 | 120.9 Ų | 120.9 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 140.9 | -172.2 | -169.7 | 0 | 0 | 0 | 0 | 111.6 | G182 | V180-G182 PolarHBondContact O-N 3.34Š|
| 181 | M | 39.2 | Very low | 43.1 | Very low | 179 Ų | 179 | 121.5 Ų | 121.5 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 123.8 | 176.3 | 179 | 171.5 | 63.9 | 0 | 0 | 112.1 | ||
| 182 | G | 53.5 | Low | 43.2 | Very low | 56 Ų | 56 | 123.9 Ų | 123.9 | 58% | 0.577 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 150.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V180 | V180-G182 PolarHBondContact O-N 3.34Š|
| 183 | P | 41 | Very low | 43 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 141.1 | -175.1 | 28.3 | -35.1 | 0 | 0 | 0 | 112.6 | G185 | P183-G185 PolarHBondContact O-N 3.09Š|
| 184 | Q | 43.8 | Very low | 42.6 | Very low | 186 Ų | 186 | 126.2 Ų | 126.2 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 129.5 | 178.1 | -169.9 | 175 | 17.8 | 0 | 0 | 111.3 | ||
| 185 | G | 53.8 | Low | 42.4 | Very low | 58 Ų | 58 | 125.2 Ų | 125.2 | 60% | 0.598 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 146.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P183 | P183-G185 PolarHBondContact O-N 3.09Š|
| 186 | P | 41.6 | Very low | 42.3 | Very low | 132 Ų | 132 | 124.4 Ų | 124.4 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 141.8 | -171.4 | 27.7 | -35.3 | 0 | 0 | 0 | 113.1 | G188 | P186-G188 PolarHBondContact O-N 3.28Š|
| 187 | V | 44.2 | Very low | 42.6 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 75% | 0.745 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 125.8 | 175.8 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | ||
| 188 | G | 48.5 | Very low | 42.7 | Very low | 70 Ų | 70 | 118.7 Ų | 118.7 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 126.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P186 | P186-G188 PolarHBondContact O-N 3.28Š|
| 189 | N | 38 | Very low | 42.8 | Very low | 150 Ų | 150 | 118.6 Ų | 118.6 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70 | 145.7 | -171.2 | -66.5 | -50.7 | 0 | 0 | 0 | 114 | G191 | N189-G191 PolarHBondContact O-N 3.13Š|
| 190 | P | 44.1 | Very low | 42.7 | Very low | 130 Ų | 130 | 118.6 Ų | 118.6 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 116.3 | 179 | -15.6 | 31 | 0 | 0 | 0 | 114.7 | ||
| 191 | G | 43.6 | Very low | 42.8 | Very low | 75 Ų | 75 | 120.2 Ų | 120.2 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | 73 | 163.5 | 136.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | N189 | N189-G191 PolarHBondContact O-N 3.13Š| ||
| 192 | R | 38.5 | Very low | 42.7 | Very low | 242 Ų | 242 | 120.3 Ų | 120.3 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | trans | -143.8 | 138.3 | 146.4 | -88.2 | -161.6 | 171.6 | -144.7 | -3.1 | 109.5 | ||||
| 193 | P | 40 | Very low | 41.9 | Very low | 133 Ų | 133 | 120.1 Ų | 120.1 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -61.6 | 156.2 | 169.7 | -23.6 | 35.2 | 0 | 0 | 0 | 112.9 | ||||
| 194 | G | 41.4 | Very low | 41.7 | Very low | 79 Ų | 79 | 121.7 Ų | 121.7 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | -78.3 | 174.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 195 | A | 35.6 | Very low | 41.3 | Very low | 108 Ų | 108 | 124.2 Ų | 124.2 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 130.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 196 | S | 38.6 | Very low | 40.4 | Very low | 125 Ų | 125 | 124.7 Ų | 124.7 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 145.3 | 173.9 | -48.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 197 | G | 51.1 | Low | 40.2 | Very low | 67 Ų | 67 | 126.3 Ų | 126.3 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 168.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | A199 | G197-A199 PolarHBondContact O-N 3.03Š|
| 198 | P | 42.2 | Very low | 40 | Very low | 128 Ų | 128 | 126.6 Ų | 126.6 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 121.8 | 167.8 | 29.3 | -32.7 | 0 | 0 | 0 | 109.4 | ||
| 199 | A | 37.9 | Very low | 39.7 | Very low | 98 Ų | 98 | 126.9 Ų | 126.9 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | 68.7 | 80.4 | 74.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G197 | G197-A199 PolarHBondContact O-N 3.03Š| |||
| 200 | G | 44.8 | Very low | 39.4 | Very low | 77 Ų | 77 | 124.6 Ų | 124.6 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -84.3 | 176.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 201 | Q | 37.1 | Very low | 38.9 | Very low | 177 Ų | 177 | 128.9 Ų | 128.9 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | trans | -154 | 154.4 | 172.3 | -88.1 | -169.3 | 88.4 | 0 | 0 | 107.2 | ||||
| 202 | K | 37.3 | Very low | 38.6 | Very low | 181 Ų | 181 | 128.7 Ų | 128.7 | 79% | 0.787 | 81% | 0.814 | S | S | * | * | cis | -175.2 | 150.8 | -12.1 | -178.5 | 176.9 | -177.9 | -177 | 0 | 104.4 | ||||
| 203 | G | 36.5 | Very low | 38.9 | Very low | 52 Ų | 52 | 126.5 Ų | 126.5 | 54% | 0.536 | 81% | 0.814 | S | S | . | * | cis | 139.5 | 56.3 | 5.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 204 | D | 37.4 | Very low | 38.7 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | trans | -109.7 | 106.1 | 163.3 | -72.2 | -51.3 | 0 | 0 | 0 | 106.8 | ||||
| 205 | R | 36.1 | Very low | 38.9 | Very low | 238 Ų | 238 | 128.9 Ų | 128.9 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | cis | 82.5 | 101 | 38.9 | -166.2 | -173.1 | 175.2 | 154.2 | 2.9 | 113.1 | ||||
| 206 | G | 34 | Very low | 38.6 | Very low | 69 Ų | 69 | 133.6 Ų | 133.6 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | 92.1 | 162.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 207 | L | 37.2 | Very low | 38.6 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | cis | -132.5 | 162.2 | 5 | -91.9 | 172.4 | 0 | 0 | 0 | 113.3 | ||||
| 208 | T | 40.7 | Very low | 38.1 | Very low | 130 Ų | 130 | 136 Ų | 136 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | trans | -20.2 | 138.8 | 166.3 | 47.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 209 | G | 40.6 | Very low | 37.9 | Very low | 75 Ų | 75 | 136 Ų | 136 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 111.1 | 116.8 | 133.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 210 | A | 32.3 | Very low | 37.9 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -68.4 | 160 | 148 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 211 | K | 33.7 | Very low | 37.8 | Very low | 219 Ų | 219 | 137 Ų | 137 | 95% | 0.952 | 80% | 0.798 | S | S | * | * | trans | 115.3 | 132.2 | 170.5 | -172.9 | 178.9 | -174.3 | 173.6 | 0 | 113.4 | ||||
| 212 | G | 38.1 | Very low | 38 | Very low | 71 Ų | 71 | 134.6 Ų | 134.6 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | trans | 169.3 | 24.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | K214 | G212-K214 PolarHBondContact O-N 3.48Š| ||
| 213 | E | 43.4 | Very low | 38.4 | Very low | 197 Ų | 197 | 132.5 Ų | 132.5 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -56.8 | 131.4 | 173.9 | -63.5 | 172.9 | 114.6 | 0 | 0 | 111.8 | ||||
| 214 | K | 35.8 | Very low | 38.5 | Very low | 196 Ų | 196 | 133.5 Ų | 133.5 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | trans | -169.6 | 117.6 | 163.8 | -113.7 | 167.1 | -178.4 | 172.6 | 0 | 108.8 | G212 | G212-K214 PolarHBondContact O-N 3.48Š| ||
| 215 | G | 45.9 | Very low | 38.3 | Very low | 66 Ų | 66 | 134.8 Ų | 134.8 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | cis | 116.4 | 155.6 | 3.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 216 | E | 30.2 | Very low | 38.5 | Very low | 206 Ų | 206 | 129.4 Ų | 129.4 | 96% | 0.963 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -61.9 | 140 | 169.1 | -69.3 | -163.4 | 126.2 | 0 | 0 | 110.3 | ||
| 217 | K | 38.3 | Very low | 38.4 | Very low | 187 Ų | 187 | 129.2 Ų | 129.2 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -125.8 | 101.4 | -160.6 | 178.7 | -159.4 | 164.2 | -170.6 | 0 | 112.2 | ||||
| 218 | G | 40.8 | Very low | 38.3 | Very low | 57 Ų | 57 | 129.5 Ų | 129.5 | 59% | 0.588 | 81% | 0.807 | S | S | * | * | trans | 72.7 | -174.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 219 | P | 37 | Very low | 37.9 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | cis | -71.4 | 151.4 | 0.9 | 31.5 | -35.9 | 0 | 0 | 0 | 112.2 | ||||
| 220 | T | 38.7 | Very low | 37.7 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 77% | 0.767 | 80% | 0.8 | S | S | * | * | cis | 79.2 | 98 | 29.8 | -52.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 221 | G | 43.4 | Very low | 38 | Very low | 71 Ų | 71 | 135.4 Ų | 135.4 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | trans | -153.7 | 49.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 222 | T | 41.4 | Very low | 38 | Very low | 125 Ų | 125 | 137 Ų | 137 | 77% | 0.767 | 80% | 0.795 | S | S | * | * | trans | 29.4 | 107.3 | 158 | 54.8 | 0 | 0 | 0 | 0 | 119.8 | G224 | T222-G224 PolarHBondContact O-N 2.94Š| ||
| 223 | P | 44.6 | Very low | 38 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -69 | 119.1 | 156.7 | -14.9 | 30.6 | 0 | 0 | 0 | 110.7 | ||||
| 224 | G | 40 | Very low | 37.7 | Very low | 74 Ų | 74 | 135.1 Ų | 135.1 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -109 | 142.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T222 | T222-G224 PolarHBondContact O-N 2.94Š| ||
| 225 | H | 33.1 | Very low | 37.6 | Very low | 191 Ų | 191 | 135 Ų | 135 | 88% | 0.884 | 79% | 0.791 | S | S | * | * | trans | -75.5 | 163.8 | -172.4 | -84.3 | -79.3 | 0 | 0 | 0 | 114.1 | ||||
| 226 | P | 39.9 | Very low | 37.1 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -96.2 | 162 | -146.2 | 36.7 | -38.2 | 0 | 0 | 0 | 116.5 | ||||
| 227 | G | 31.9 | Very low | 37.3 | Very low | 66 Ų | 66 | 133.6 Ų | 133.6 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | trans | -170.4 | 141.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 228 | L | 35.7 | Very low | 37.1 | Very low | 170 Ų | 170 | 131.4 Ų | 131.4 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | 65.1 | 119.5 | 177.3 | -51.4 | 166.5 | 0 | 0 | 0 | 114.7 | ||||
| 229 | S | 32.2 | Very low | 36.8 | Very low | 92 Ų | 92 | 131.7 Ų | 131.7 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | cis | 86.8 | 127 | 22 | 93 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 230 | K | 35.2 | Very low | 36.9 | Very low | 180 Ų | 180 | 134 Ų | 134 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | 77.7 | 141.6 | -176.3 | -56.5 | -178.2 | 179.5 | -170.3 | 0 | 114.3 | ||||
| 231 | E | 38.1 | Very low | 36.7 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | cis | -144.5 | 138.9 | -9.7 | -97 | 138.1 | 176.3 | 0 | 0 | 106.1 | ||||
| 232 | R | 34.6 | Very low | 36.3 | Very low | 251 Ų | 251 | 136 Ų | 136 | 95% | 0.947 | 79% | 0.791 | S | S | * | * | 83.6 | 117 | 56.4 | 177.7 | 172 | -91.2 | -130.9 | -0.7 | 115.5 | |||||
| 233 | G | 38.8 | Very low | 36 | Very low | 66 Ų | 66 | 141.9 Ų | 141.9 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | trans | 127.5 | 137.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 234 | I | 37.2 | Very low | 36.3 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | cis | -151.6 | 129.9 | -6.7 | 44.2 | 175.1 | 0 | 0 | 0 | 106.2 | ||||
| 235 | Q | 32.4 | Very low | 36.2 | Very low | 195 Ų | 195 | 141.4 Ų | 141.4 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | 62.2 | 123.7 | 80.8 | -173 | 170.9 | -13 | 0 | 0 | 117.3 | |||||
| 236 | G | 35 | Very low | 36.4 | Very low | 69 Ų | 69 | 139.5 Ų | 139.5 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | 95.7 | 149.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 237 | E | 35.4 | Very low | 36.7 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | cis | -153.3 | 142.6 | -9.5 | -91.9 | -167.3 | 143.4 | 0 | 0 | 108.7 | ||||
| 238 | I | 34.6 | Very low | 37.2 | Very low | 141 Ų | 141 | 144.3 Ų | 144.3 | 72% | 0.723 | 80% | 0.802 | S | S | * | * | 57.6 | 126.5 | 99.9 | -50.2 | 175.2 | 0 | 0 | 0 | 116.7 | |||||
| 239 | G | 34.6 | Very low | 37.1 | Very low | 62 Ų | 62 | 143.3 Ų | 143.3 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | trans | 86 | 162.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 240 | H | 38.4 | Very low | 38.3 | Very low | 176 Ų | 176 | 144.3 Ų | 144.3 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | cis | -152.1 | 170.2 | 1.2 | -75.2 | -75.5 | 0 | 0 | 0 | 112.1 | ||||
| 241 | D | 35 | Very low | 38.4 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -64.6 | 158.6 | 174 | -47.6 | -96.2 | 0 | 0 | 0 | 114.5 | ||||
| 242 | G | 34.9 | Very low | 38.3 | Very low | 77 Ų | 77 | 141.2 Ų | 141.2 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -139.5 | -16.3 | -171 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 243 | R | 34.1 | Very low | 38.9 | Very low | 248 Ų | 248 | 139.4 Ų | 139.4 | 94% | 0.936 | 80% | 0.798 | S | S | * | * | trans | 62.8 | 164.7 | 179.1 | -76.2 | -175.8 | 173.5 | -172.3 | -1.4 | 118.2 | ||||
| 244 | P | 50.7 | Low | 39 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | trans | -115.1 | 162.3 | -171.2 | 41.3 | -31.9 | 0 | 0 | 0 | 115.8 | ||||
| 245 | G | 38.4 | Very low | 39.3 | Very low | 76 Ų | 76 | 138.1 Ų | 138.1 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | 98.7 | 125.3 | 139.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 246 | V | 37.6 | Very low | 39.8 | Very low | 152 Ų | 152 | 136.4 Ų | 136.4 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -137.8 | 131.3 | 153.2 | -168.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 247 | R | 46.6 | Very low | 40 | Very low | 217 Ų | 217 | 136.8 Ų | 136.8 | 82% | 0.819 | 80% | 0.795 | S | S | * | * | trans | -99 | 144.2 | 169 | 166.6 | -166.3 | -87.2 | -158.8 | 0.4 | 108.8 | E249 | R247-E249 IonicContact NH1-OE1 3.62Š| ||
| 248 | G | 42.2 | Very low | 40.1 | Very low | 74 Ų | 74 | 133.8 Ų | 133.8 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | 177.5 | 135.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 249 | E | 33.8 | Very low | 40.4 | Very low | 149 Ų | 149 | 135.6 Ų | 135.6 | 70% | 0.696 | 80% | 0.801 | S | S | * | * | cis | -160 | 160.4 | -39.6 | -106.2 | -83.8 | 122.8 | 0 | 0 | 105.2 | R247 | R247-E249 IonicContact NH1-OE1 3.62Š| ||
| 250 | P | 55.6 | Low | 40.5 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | trans | -95.5 | 155.5 | -160.4 | 35.7 | -33.9 | 0 | 0 | 0 | 116.1 | ||||
| 251 | G | 37.9 | Very low | 40.6 | Very low | 72 Ų | 72 | 135 Ų | 135 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | -169.8 | 150.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 252 | Q | 37.3 | Very low | 40.8 | Very low | 203 Ų | 203 | 131.8 Ų | 131.8 | 95% | 0.949 | 81% | 0.808 | S | S | * | * | cis | -135 | 164.9 | 3.1 | -65.3 | -179.5 | -7 | 0 | 0 | 111.3 | ||||
| 253 | R | 45.6 | Very low | 41 | Very low | 214 Ų | 214 | 131.5 Ų | 131.5 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | -103.7 | 140.8 | 176.6 | 168.5 | -163.9 | -96.6 | -108.7 | 3.9 | 110.6 | E256 | R253-E256 IonicContact NH1-OE2 2.63Å; R253-E256 PolarHBondContact NH1-OE2 3.08Å | ||
| 254 | G | 42.1 | Very low | 41.2 | Very low | 63 Ų | 63 | 131.7 Ų | 131.7 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | trans | 148.7 | 160.9 | 144.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 255 | P | 42 | Very low | 41.1 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | cis | -106.7 | -178.3 | -8.2 | 39.4 | -29.9 | 0 | 0 | 0 | 113.2 | ||||
| 256 | E | 44.5 | Very low | 41.1 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -131.6 | 146.3 | -179.4 | -177.6 | 178.6 | 169.7 | 0 | 0 | 109.3 | R253 | R253-E256 IonicContact NH1-OE2 2.63Å; R253-E256 PolarHBondContact NH1-OE2 3.08Å | ||
| 257 | G | 38.5 | Very low | 41.2 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | 98.7 | 155.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 258 | S | 38 | Very low | 41 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | cis | -117.7 | 150.1 | 28.1 | 50.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 259 | M | 40.2 | Very low | 40.9 | Very low | 180 Ų | 180 | 135.5 Ų | 135.5 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | 12.6 | 123.9 | 154.2 | -58.8 | 178.6 | -67.9 | 0 | 0 | 119.7 | ||||
| 260 | G | 38 | Very low | 41.3 | Very low | 77 Ų | 77 | 135.4 Ų | 135.4 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | trans | -83.4 | 177.1 | 154.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 261 | V | 38.9 | Very low | 40.6 | Very low | 147 Ų | 147 | 139.1 Ų | 139.1 | 89% | 0.891 | 83% | 0.831 | S | S | * | * | trans | -99.5 | 121.7 | 167.1 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 262 | A | 40.6 | Very low | 40.6 | Very low | 97 Ų | 97 | 139 Ų | 139 | 80% | 0.802 | 83% | 0.83 | S | S | * | * | trans | -67.6 | 141.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 263 | G | 38.4 | Very low | 40.8 | Very low | 71 Ų | 71 | 141.1 Ų | 141.1 | 73% | 0.732 | 83% | 0.829 | S | S | * | * | trans | -74.8 | -178.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | P265 | G263-P265 WeakPolarHBondContact O-CD 3.39Š| ||
| 264 | R | 38.7 | Very low | 40.6 | Very low | 251 Ų | 251 | 136.4 Ų | 136.4 | 95% | 0.947 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 122.3 | 161 | -76.3 | -171.5 | 172.2 | -160.1 | -2.2 | 109.4 | ||
| 265 | P | 47.8 | Very low | 40.6 | Very low | 128 Ų | 128 | 137 Ų | 137 | 83% | 0.831 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 143.7 | 163.7 | -22.9 | 35 | 0 | 0 | 0 | 110.5 | G263 | G263-P265 WeakPolarHBondContact O-CD 3.39Š|
| 266 | G | 39.8 | Very low | 40.5 | Very low | 76 Ų | 76 | 139.2 Ų | 139.2 | 78% | 0.784 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 162 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 267 | E | 38.6 | Very low | 40.5 | Very low | 204 Ų | 204 | 139.6 Ų | 139.6 | 95% | 0.953 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -69 | 153.9 | 162.9 | -70.3 | -161.6 | 134.3 | 0 | 0 | 111.4 | ||
| 268 | R | 42.7 | Very low | 41.1 | Very low | 246 Ų | 246 | 138.7 Ų | 138.7 | 93% | 0.928 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 121.4 | -165.6 | -174.3 | 178.1 | -65.7 | 146.6 | 1 | 110.7 | ||
| 269 | G | 39 | Very low | 41.5 | Very low | 69 Ų | 69 | 140 Ų | 140 | 71% | 0.711 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -70 | 159.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 270 | T | 42.1 | Very low | 41.6 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 91% | 0.908 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 150.5 | 162.4 | 47.7 | 0 | 0 | 0 | 0 | 110.7 | ||
| 271 | M | 41 | Very low | 41.8 | Very low | 191 Ų | 191 | 140.1 Ų | 140.1 | 94% | 0.941 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 116.1 | -167.7 | -173.5 | -179 | -67.6 | 0 | 0 | 112.4 | ||
| 272 | G | 38 | Very low | 41.8 | Very low | 70 Ų | 70 | 137.7 Ų | 137.7 | 72% | 0.722 | 83% | 0.827 | S | S | * | * | trans | 44 | 120.8 | 145.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 273 | R | 42.1 | Very low | 42 | Very low | 247 Ų | 247 | 142 Ų | 142 | 93% | 0.932 | 83% | 0.83 | S | S | * | * | -141.4 | 102.5 | 125.4 | -140.8 | 177.1 | -172.2 | -161.9 | 0.1 | 113.2 | |||||
| 274 | S | 41.1 | Very low | 42.1 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | 28.7 | 95.8 | 153.1 | -46.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 275 | G | 43.1 | Very low | 42 | Very low | 76 Ų | 76 | 139.2 Ų | 139.2 | 78% | 0.784 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 141.8 | 143.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q277 | G275-Q277 PolarHBondContact O-N 3.26Š|
| 276 | L | 40.4 | Very low | 42.1 | Very low | 184 Ų | 184 | 139.4 Ų | 139.4 | 96% | 0.963 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 128.9 | 176.7 | -79.8 | 170.1 | 0 | 0 | 0 | 110.6 | ||
| 277 | Q | 43.4 | Very low | 42.3 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 79% | 0.79 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 119.4 | -175.7 | -178.4 | 174 | 9.6 | 0 | 0 | 110.6 | G275 | G275-Q277 PolarHBondContact O-N 3.26Š|
| 278 | G | 50.3 | Low | 42.2 | Very low | 57 Ų | 57 | 135.7 Ų | 135.7 | 59% | 0.588 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 143.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111 | K280 | G278-K280 PolarHBondContact O-N 3.2Š|
| 279 | P | 48.1 | Very low | 42.3 | Very low | 137 Ų | 137 | 131 Ų | 131 | 89% | 0.89 | 82% | 0.824 | S | S | * | * | trans | -63.7 | 111.7 | -174.2 | 24.6 | -33.6 | 0 | 0 | 0 | 111.6 | ||||
| 280 | K | 40.9 | Very low | 42.5 | Very low | 188 Ų | 188 | 130.7 Ų | 130.7 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 126.6 | 169.1 | -179.8 | -176.1 | 176.1 | -173.7 | 0 | 108.4 | G278 | G278-K280 PolarHBondContact O-N 3.2Š|
| 281 | G | 42.2 | Very low | 42.3 | Very low | 72 Ų | 72 | 131 Ų | 131 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 138.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 282 | A | 39.8 | Very low | 42.2 | Very low | 96 Ų | 96 | 131 Ų | 131 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 124.9 | 150.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||
| 283 | Q | 44 | Very low | 42.8 | Very low | 187 Ų | 187 | 130.8 Ų | 130.8 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | 66.2 | 105.2 | 72.6 | -172.7 | 173 | -20.6 | 0 | 0 | 111.3 | |||||
| 284 | G | 41.2 | Very low | 42.7 | Very low | 72 Ų | 72 | 125.1 Ų | 125.1 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 169.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 285 | E | 36.9 | Very low | 42.5 | Very low | 192 Ų | 192 | 126.4 Ų | 126.4 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 137.6 | -178.5 | -60.1 | -163.6 | 129.3 | 0 | 0 | 112.7 | ||
| 286 | P | 49.3 | Very low | 42.3 | Very low | 131 Ų | 131 | 125.7 Ų | 125.7 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66 | 135 | 167.7 | -20 | 33.4 | 0 | 0 | 0 | 111.8 | ||
| 287 | G | 44.1 | Very low | 42.1 | Very low | 77 Ų | 77 | 125.8 Ų | 125.8 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 165.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 288 | S | 36.6 | Very low | 41.8 | Very low | 125 Ų | 125 | 127 Ų | 127 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -93 | 118.1 | 172.9 | 43.8 | 0 | 0 | 0 | 0 | 112.4 | ||
| 289 | V | 44.8 | Very low | 41.5 | Very low | 148 Ų | 148 | 127.4 Ų | 127.4 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 140.4 | 156.7 | -176.1 | 0 | 0 | 0 | 0 | 106.4 | ||
| 290 | G | 42.9 | Very low | 40.8 | Very low | 62 Ų | 62 | 129 Ų | 129 | 64% | 0.639 | 82% | 0.819 | S | S | * | * | cis | 138.5 | 131.1 | 6.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 291 | V | 38 | Very low | 40.4 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 93% | 0.933 | 82% | 0.82 | S | S | * | * | trans | -128.9 | 143 | -173.4 | -166.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 292 | E | 39.7 | Very low | 40.2 | Very low | 191 Ų | 191 | 129.2 Ų | 129.2 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | trans | -81.9 | 151.2 | -164.7 | -153.2 | 166.3 | -176.5 | 0 | 0 | 112.9 | ||||
| 293 | G | 51 | Low | 39.9 | Very low | 67 Ų | 67 | 134.6 Ų | 134.6 | 69% | 0.691 | 83% | 0.828 | S | S | * | * | trans | -101.5 | -167.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 294 | P | 38.2 | Very low | 39.7 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | -127.5 | 139.6 | 153.1 | 36 | -25.3 | 0 | 0 | 0 | 114.5 | ||||
| 295 | T | 36.7 | Very low | 39.8 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 87% | 0.871 | 83% | 0.828 | S | S | * | * | trans | -29.1 | 144.6 | 152.9 | -44.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 296 | G | 39.7 | Very low | 39.7 | Very low | 62 Ų | 62 | 135.9 Ų | 135.9 | 64% | 0.639 | 83% | 0.83 | S | S | * | * | cis | 120.6 | 139.2 | 8.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 297 | I | 37.3 | Very low | 39.6 | Very low | 185 Ų | 185 | 137.3 Ų | 137.3 | 95% | 0.949 | 83% | 0.829 | S | S | * | * | trans | -139.8 | 154.2 | 171.5 | 54.7 | 171.1 | 0 | 0 | 0 | 112.6 | ||||
| 298 | Q | 36.8 | Very low | 39.5 | Very low | 195 Ų | 195 | 136.7 Ų | 136.7 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | trans | -112.1 | 144 | -168.6 | -176.1 | 178.7 | 3.3 | 0 | 0 | 111.7 | ||||
| 299 | G | 43.3 | Very low | 39.8 | Very low | 65 Ų | 65 | 142 Ų | 142 | 67% | 0.67 | 82% | 0.824 | S | S | * | * | trans | -97 | -176.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 300 | L | 32.5 | Very low | 39.9 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 90% | 0.895 | 82% | 0.822 | S | S | * | * | trans | -152.9 | 164.3 | 178.1 | -67.5 | 176.5 | 0 | 0 | 0 | 108.9 | ||||
| 301 | K | 34.3 | Very low | 39.9 | Very low | 194 Ų | 194 | 141.6 Ų | 141.6 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | cis | -178 | 131.1 | -30.5 | 173.5 | -164.5 | 168.2 | -163.4 | 0 | 108.2 | ||||
| 302 | G | 37.2 | Very low | 39.9 | Very low | 71 Ų | 71 | 143.9 Ų | 143.9 | 73% | 0.732 | 83% | 0.826 | S | S | * | * | trans | 84.9 | 167.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 303 | E | 34 | Very low | 40.3 | Very low | 209 Ų | 209 | 145.9 Ų | 145.9 | 98% | 0.977 | 83% | 0.826 | S | S | * | * | cis | -135.4 | -171.4 | 3.8 | -73.4 | -152.6 | 121 | 0 | 0 | 113.5 | ||||
| 304 | K | 40.1 | Very low | 39.9 | Very low | 211 Ų | 211 | 145.9 Ų | 145.9 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | trans | -123.3 | 132.6 | -167.6 | 168.4 | -168.4 | 173.2 | -175.2 | 0 | 112.1 | ||||
| 305 | G | 43 | Very low | 39.8 | Very low | 67 Ų | 67 | 149 Ų | 149 | 69% | 0.691 | 83% | 0.829 | S | S | * | * | trans | -179.6 | 156.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 306 | Q | 34.9 | Very low | 40.4 | Very low | 200 Ų | 200 | 148.3 Ų | 148.3 | 94% | 0.935 | 83% | 0.825 | S | S | * | * | cis | -152 | 166.2 | -19.8 | -122.6 | -174 | 50.8 | 0 | 0 | 108.7 | G308 | Q306-G308 PolarHBondContact O-N 3.47Š| ||
| 307 | L | 46.7 | Very low | 40.5 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 117.7 | -170.5 | 177.9 | 65.8 | 0 | 0 | 0 | 113.1 | ||
| 308 | G | 43.1 | Very low | 40.7 | Very low | 64 Ų | 64 | 146.4 Ų | 146.4 | 66% | 0.66 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 141.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q306 | Q306-G308 PolarHBondContact O-N 3.47Š|
| 309 | R | 40.9 | Very low | 41.2 | Very low | 235 Ų | 235 | 148.5 Ų | 148.5 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 147 | -174.8 | -69.8 | -179.9 | 173.7 | -179.6 | -2.7 | 113 | ||
| 310 | P | 48.1 | Very low | 41.2 | Very low | 133 Ų | 133 | 148.6 Ų | 148.6 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 154.5 | 165.2 | -4.5 | 22.3 | 0 | 0 | 0 | 112.2 | ||
| 311 | G | 42.9 | Very low | 41.4 | Very low | 69 Ų | 69 | 149.7 Ų | 149.7 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | trans | -177.6 | 152.5 | 167 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 312 | E | 37 | Very low | 41.9 | Very low | 202 Ų | 202 | 150.7 Ų | 150.7 | 94% | 0.944 | 82% | 0.824 | S | S | * | * | cis | -139.2 | 176.5 | -13.9 | -74 | -158.8 | 125.9 | 0 | 0 | 109.7 | ||||
| 313 | R | 48.7 | Very low | 42.3 | Very low | 234 Ų | 234 | 150.3 Ų | 150.3 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -105.5 | 135.8 | -175.5 | 175.3 | -166.1 | -70.9 | 175.8 | -3.1 | 111.8 | ||||
| 314 | G | 42.2 | Very low | 42.7 | Very low | 66 Ų | 66 | 146.5 Ų | 146.5 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | trans | -157.8 | 144.8 | 152.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 315 | E | 36.5 | Very low | 43.2 | Very low | 194 Ų | 194 | 143.3 Ų | 143.3 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | cis | -140.4 | -179.2 | -13.9 | -73.2 | -160.9 | 113.9 | 0 | 0 | 109.2 | ||||
| 316 | T | 48.8 | Very low | 43.3 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -119.6 | 123.5 | -172.5 | -59.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 317 | G | 43 | Very low | 43.6 | Very low | 63 Ų | 63 | 139.2 Ų | 139.2 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | trans | -85.9 | 158.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 318 | P | 41.8 | Very low | 43.8 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 93% | 0.929 | 80% | 0.797 | S | S | * | * | trans | -88.3 | 172.1 | -148.6 | 33.3 | -37.7 | 0 | 0 | 0 | 117.8 | ||||
| 319 | R | 46.5 | Very low | 43.8 | Very low | 240 Ų | 240 | 140.1 Ų | 140.1 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -110.4 | 156.5 | -169.3 | 119.1 | -166.3 | -178.9 | -160.6 | -0.7 | 112.4 | ||||
| 320 | G | 43.2 | Very low | 43.8 | Very low | 67 Ų | 67 | 137 Ų | 137 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | 165.1 | 140.2 | 155.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 321 | E | 36 | Very low | 43.5 | Very low | 194 Ų | 194 | 140.8 Ų | 140.8 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | cis | -141.6 | -174.5 | -7.5 | -77.8 | -138.5 | 111.5 | 0 | 0 | 110.8 | ||||
| 322 | R | 45.8 | Very low | 43.5 | Very low | 215 Ų | 215 | 141 Ų | 141 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | -122.6 | 123.7 | -168 | -177.9 | -173.3 | -153.6 | -167.6 | 9.9 | 113.4 | ||||
| 323 | G | 45.8 | Very low | 43.6 | Very low | 63 Ų | 63 | 136.5 Ų | 136.5 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 147.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 324 | P | 42.5 | Very low | 43.3 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 162.8 | -167.1 | 34.3 | -36.9 | 0 | 0 | 0 | 115.5 | ||
| 325 | I | 50.8 | Low | 43.3 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 140.6 | 173.6 | -64.3 | 168 | 0 | 0 | 0 | 110 | ||
| 326 | G | 45.3 | Very low | 43.3 | Very low | 74 Ų | 74 | 133.8 Ų | 133.8 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | -131 | 121.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 327 | P | 41.1 | Very low | 43 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | -101.3 | 141.2 | -172.3 | 36 | -33 | 0 | 0 | 0 | 115.5 | ||||
| 328 | I | 49.3 | Very low | 43.1 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | 50.7 | 116.2 | 147.5 | -55.6 | 174.7 | 0 | 0 | 0 | 118.7 | ||||
| 329 | G | 44.9 | Very low | 43.1 | Very low | 77 Ų | 77 | 139.5 Ų | 139.5 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | -124.6 | 143.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 330 | I | 40.5 | Very low | 42.8 | Very low | 170 Ų | 170 | 133.3 Ų | 133.3 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | -88.6 | 164.3 | -160 | 52.6 | 171.6 | 0 | 0 | 0 | 117.2 | ||||
| 331 | K | 40.7 | Very low | 42.8 | Very low | 212 Ų | 212 | 133.4 Ų | 133.4 | 92% | 0.922 | 82% | 0.822 | S | S | * | * | trans | -63.5 | 144.2 | -173.2 | 168.4 | -170.5 | 175.2 | -175.8 | 0 | 117.5 | ||||
| 332 | G | 43.3 | Very low | 43 | Very low | 73 Ų | 73 | 130 Ų | 130 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | trans | 153.3 | 148.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 333 | A | 39.2 | Very low | 43.4 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | cis | -156.4 | 167.2 | -15.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 334 | Q | 41.9 | Very low | 43.4 | Very low | 185 Ų | 185 | 126.1 Ų | 126.1 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -65.7 | 143.5 | -168.2 | 176.8 | -179.7 | -11 | 0 | 0 | 116 | ||||
| 335 | G | 42.9 | Very low | 43 | Very low | 73 Ų | 73 | 125.5 Ų | 125.5 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | -169.3 | 141.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 336 | E | 36.7 | Very low | 43 | Very low | 179 Ų | 179 | 124.4 Ų | 124.4 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | trans | -106.3 | 167.9 | -165.6 | -67.5 | -176.5 | 108.1 | 0 | 0 | 115.6 | ||||
| 337 | L | 41.8 | Very low | 42.9 | Very low | 187 Ų | 187 | 124 Ų | 124 | 98% | 0.979 | 82% | 0.82 | S | S | * | * | trans | 97.7 | 122.5 | 150.2 | -156.5 | 72.4 | 0 | 0 | 0 | 118.6 | ||||
| 338 | G | 44.5 | Very low | 42.9 | Very low | 74 Ų | 74 | 126.9 Ų | 126.9 | 76% | 0.763 | 83% | 0.829 | S | S | * | * | trans | 156.5 | 123.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 339 | M | 42.5 | Very low | 42.6 | Very low | 192 Ų | 192 | 126.5 Ų | 126.5 | 95% | 0.946 | 83% | 0.829 | S | S | * | * | trans | -112.8 | 156.7 | 177 | -85.8 | -174.3 | 67.1 | 0 | 0 | 112.2 | ||||
| 340 | A | 40.2 | Very low | 42.5 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | 72.8 | 144 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 341 | G | 42.5 | Very low | 42.4 | Very low | 69 Ų | 69 | 125.9 Ų | 125.9 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | cis | -145.5 | 167.8 | -0.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P343 | G341-P343 WeakPolarHBondContact O-CD 3.44Š| ||
| 342 | S | 40.8 | Very low | 42.6 | Very low | 123 Ų | 123 | 121 Ų | 121 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 121.1 | -167.1 | 53.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 343 | P | 54.8 | Low | 42.7 | Very low | 123 Ų | 123 | 121 Ų | 121 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 159.7 | 157.9 | -11 | 29.7 | 0 | 0 | 0 | 111.2 | G341 | G341-P343 WeakPolarHBondContact O-CD 3.44Š|
| 344 | G | 44.4 | Very low | 42.6 | Very low | 73 Ų | 73 | 123.5 Ų | 123.5 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 159.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | P346 | G344-P346 WeakPolarHBondContact O-CD 3.4Š|
| 345 | S | 34.1 | Very low | 42.5 | Very low | 115 Ų | 115 | 119.5 Ų | 119.5 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 125 | -178.9 | 51.9 | 0 | 0 | 0 | 0 | 113 | ||
| 346 | P | 51.5 | Low | 42.5 | Very low | 120 Ų | 120 | 119.2 Ų | 119.2 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -55 | 143.8 | 146.4 | -16.4 | 31.2 | 0 | 0 | 0 | 108.5 | G344 | G344-P346 WeakPolarHBondContact O-CD 3.4Š|
| 347 | G | 44.4 | Very low | 42.6 | Very low | 66 Ų | 66 | 115.8 Ų | 115.8 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 145.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D349 | G347-D349 VanDerWaalsContact C-N 3.33Å; G347-D349 PolarHBondContact O-N 3.16Å; G347-D349 VanDerWaalsContact O-N 3.16Å |
| 348 | L | 41 | Very low | 42.7 | Very low | 169 Ų | 169 | 112.8 Ų | 112.8 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | trans | -66.9 | 106.7 | 145.2 | -70.4 | 177.3 | 0 | 0 | 0 | 105.4 | G350 | L348-G350 PolarHBondContact O-N 3.2Å; L348-G350 VanDerWaalsContact O-N 3.17Å | ||
| 349 | D | 42.8 | Very low | 42.7 | Very low | 158 Ų | 158 | 112.6 Ų | 112.6 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -47 | 124.9 | 154.1 | -75.2 | -40.8 | 0 | 0 | 0 | 106.4 | G347 Q351 | G347-D349 VanDerWaalsContact C-N 3.33Å; G347-D349 PolarHBondContact O-N 3.16Å; G347-D349 VanDerWaalsContact O-N 3.16Å; D349-Q351 PolarHBondContact O-N 2.78Å | ||
| 350 | G | 42.9 | Very low | 42.5 | Very low | 65 Ų | 65 | 112.1 Ų | 112.1 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | trans | -53.4 | 132.6 | -165.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L348 P352 | L348-G350 PolarHBondContact O-N 3.2Å; L348-G350 VanDerWaalsContact O-N 3.17Å; G350-P352 VanDerWaalsContact O-CD 3.29Å; G350-P352 WeakPolarHBondContact O-CD 3.47Å | ||
| 351 | Q | 37.2 | Very low | 42.7 | Very low | 170 Ų | 170 | 112.9 Ų | 112.9 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -46 | 120.6 | 167.7 | -77.5 | -174.6 | -27.3 | 0 | 0 | 107.2 | D349 G353 | D349-Q351 PolarHBondContact O-N 2.78Å; Q351-G353 WeakPolarHBondContact O-CA 3.34Å; Q351-G353 PolarHBondContact O-N 3.14Å | ||
| 352 | P | 46.1 | Very low | 42.9 | Very low | 109 Ų | 109 | 113 Ų | 113 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | trans | -52.9 | 112.3 | 176.5 | -27.5 | 35.7 | 0 | 0 | 0 | 107.4 | G350 L354 | G350-P352 VanDerWaalsContact O-CD 3.29Å; G350-P352 WeakPolarHBondContact O-CD 3.47Å; P352-L354 PolarHBondContact O-N 3.4Å | ||
| 353 | G | 43.9 | Very low | 43 | Very low | 73 Ų | 73 | 111.2 Ų | 111.2 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | 113.8 | -158.2 | 0 | 0 | 0 | 0 | 0 | 110 | Q351 S355 | Q351-G353 WeakPolarHBondContact O-CA 3.34Å; Q351-G353 PolarHBondContact O-N 3.14Å; G353-S355 PolarHBondContact O-N 3.02Å |
| 354 | L | 37.5 | Very low | 42.7 | Very low | 160 Ų | 160 | 111.4 Ų | 111.4 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -16.1 | 95 | -158.7 | -83 | 170.6 | 0 | 0 | 0 | 112.1 | P352 G356 | P352-L354 PolarHBondContact O-N 3.4Å; L354-G356 WeakPolarHBondContact O-CA 3.4Å; L354-G356 PolarHBondContact O-N 3.2Å |
| 355 | S | 40.3 | Very low | 42.8 | Very low | 102 Ų | 102 | 111.2 Ų | 111.2 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | -43.7 | 109.4 | -175.3 | -65.4 | 0 | 0 | 0 | 0 | 109 | G353 S357 | G353-S355 PolarHBondContact O-N 3.02Å; S355-S357 PolarHBondContact O-N 3.12Å | ||
| 356 | G | 43.3 | Very low | 43.1 | Very low | 67 Ų | 67 | 114.4 Ų | 114.4 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | trans | -48.6 | 125.2 | -161 | 0 | 0 | 0 | 0 | 0 | 109.9 | L354 | L354-G356 WeakPolarHBondContact O-CA 3.4Å; L354-G356 PolarHBondContact O-N 3.2Å | ||
| 357 | S | 37.8 | Very low | 42.7 | Very low | 107 Ų | 107 | 117.6 Ų | 117.6 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -40.6 | 117.2 | -176.1 | 48.8 | 0 | 0 | 0 | 0 | 108.4 | S355 G359 | S355-S357 PolarHBondContact O-N 3.12Å; S357-G359 PolarHBondContact O-N 3.3Å | ||
| 358 | P | 44.1 | Very low | 42.9 | Very low | 124 Ų | 124 | 117.9 Ų | 117.9 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | trans | -47.8 | 113.9 | -167.8 | -31.6 | 35.2 | 0 | 0 | 0 | 109.3 | E360 | P358-E360 PolarHBondContact O-N 2.86Š| ||
| 359 | G | 44.5 | Very low | 42.9 | Very low | 70 Ų | 70 | 117.7 Ų | 117.7 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | -52.3 | 128.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | S357 | S357-G359 PolarHBondContact O-N 3.3Š| ||
| 360 | E | 38.1 | Very low | 43.2 | Very low | 181 Ų | 181 | 115.2 Ų | 115.2 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -47.6 | 129.1 | -175.6 | -70.8 | -165.7 | 121.4 | 0 | 0 | 108.6 | P358 G362 | P358-E360 PolarHBondContact O-N 2.86Å; E360-G362 PolarHBondContact O-N 2.77Å | ||
| 361 | P | 44.8 | Very low | 43.7 | Very low | 127 Ų | 127 | 114.9 Ų | 114.9 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -50 | 111.4 | -173.5 | -29.8 | 35.4 | 0 | 0 | 0 | 109.6 | A363 | P361-A363 PolarHBondContact O-N 2.83Å; P361-A363 VanDerWaalsContact O-N 3.09Å | ||
| 362 | G | 46.8 | Very low | 44.4 | Very low | 70 Ų | 70 | 112.6 Ų | 112.6 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | -50.6 | 122.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | E360 | E360-G362 PolarHBondContact O-N 2.77Š| ||
| 363 | A | 43.1 | Very low | 45.1 | Very low | 87 Ų | 87 | 113.1 Ų | 113.1 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | trans | -46.9 | 129.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | P361 G365 | P361-A363 PolarHBondContact O-N 2.83Å; P361-A363 VanDerWaalsContact O-N 3.09Å; A363-G365 WeakPolarHBondContact O-CA 3.48Å; A363-G365 PolarHBondContact O-N 3.44Å | ||
| 364 | P | 48 | Very low | 45.5 | Very low | 127 Ų | 127 | 112.4 Ų | 112.4 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | -49.5 | 113.1 | -174.6 | -28.8 | 34.8 | 0 | 0 | 0 | 109.4 | E366 | P364-E366 PolarHBondContact O-N 3.43Š| ||
| 365 | G | 47.8 | Very low | 46.1 | Very low | 69 Ų | 69 | 110.5 Ų | 110.5 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | -54.3 | 117.9 | -162.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | A363 Q367 | A363-G365 WeakPolarHBondContact O-CA 3.48Å; A363-G365 PolarHBondContact O-N 3.44Å; G365-Q367 PolarHBondContact O-N 3.13Å | ||
| 366 | E | 38.5 | Very low | 46.9 | Very low | 181 Ų | 181 | 111.8 Ų | 111.8 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -53.4 | 121.5 | -177.6 | -71.5 | -159.7 | 134.7 | 0 | 0 | 108.2 | P364 G368 | P364-E366 PolarHBondContact O-N 3.43Å; E366-G368 PolarHBondContact O-N 3.21Å | ||
| 367 | Q | 43.7 | Very low | 47.1 | Very low | 187 Ų | 187 | 111.8 Ų | 111.8 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -57.7 | 113.5 | 179.1 | -69.2 | -177 | -102.8 | 0 | 0 | 107.2 | G365 L369 | G365-Q367 PolarHBondContact O-N 3.13Å; Q367-L369 PolarHBondContact O-N 3.21Å; Q367-L369 VanDerWaalsContact O-N 3.1Å | ||
| 368 | G | 48.8 | Very low | 47 | Very low | 73 Ų | 73 | 118.3 Ų | 118.3 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | -47.3 | 120.3 | -166.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | E366 S370 | E366-G368 PolarHBondContact O-N 3.21Å; G368-S370 PolarHBondContact O-N 3.07Å | ||
| 369 | L | 40 | Very low | 47.4 | Very low | 164 Ų | 164 | 118.3 Ų | 118.3 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | trans | -46.7 | 114.4 | -167.6 | -71.4 | 172.8 | 0 | 0 | 0 | 110 | Q367 G371 | Q367-L369 PolarHBondContact O-N 3.21Å; Q367-L369 VanDerWaalsContact O-N 3.1Å; L369-G371 PolarHBondContact O-N 2.97Å | ||
| 370 | S | 49.9 | Very low | 47.4 | Very low | 107 Ų | 107 | 117.9 Ų | 117.9 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 127.9 | 175.4 | 43.5 | 0 | 0 | 0 | 0 | 108.3 | G368 | G368-S370 PolarHBondContact O-N 3.07Š|
| 371 | G | 53.3 | Low | 47.6 | Very low | 57 Ų | 57 | 118 Ų | 118 | 59% | 0.588 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 140.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L369 | L369-G371 PolarHBondContact O-N 2.97Š|
| 372 | P | 52.5 | Low | 47.5 | Very low | 122 Ų | 122 | 119.3 Ų | 119.3 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 127.7 | -167.5 | 19.8 | -33.1 | 0 | 0 | 0 | 110.2 | G374 | P372-G374 PolarHBondContact O-N 2.83Š|
| 373 | P | 61.1 | Low | 47.2 | Very low | 120 Ų | 120 | 119.7 Ų | 119.7 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 128.6 | 178.4 | -29.5 | 35.6 | 0 | 0 | 0 | 110.2 | ||
| 374 | G | 52.5 | Low | 47.1 | Very low | 59 Ų | 59 | 120.4 Ų | 120.4 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 143.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | P372 | P372-G374 PolarHBondContact O-N 2.83Š|
| 375 | P | 49.8 | Very low | 47.2 | Very low | 120 Ų | 120 | 120.7 Ų | 120.7 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 130 | -174.5 | 22.3 | -33.6 | 0 | 0 | 0 | 109.8 | G377 | P375-G377 PolarHBondContact O-N 3.1Å; P375-G377 VanDerWaalsContact O-N 3.16Å |
| 376 | P | 56.4 | Low | 46.7 | Very low | 129 Ų | 129 | 121 Ų | 121 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 125 | -179.5 | -30.4 | 36 | 0 | 0 | 0 | 111 | R378 | P376-R378 PolarHBondContact O-N 3.25Š|
| 377 | G | 48.1 | Very low | 46.4 | Very low | 67 Ų | 67 | 117.7 Ų | 117.7 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 139.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | P375 P379 | P375-G377 PolarHBondContact O-N 3.1Å; P375-G377 VanDerWaalsContact O-N 3.16Å; G377-P379 WeakPolarHBondContact O-CD 3.35Å |
| 378 | R | 34.9 | Very low | 46.2 | Very low | 244 Ų | 244 | 119.5 Ų | 119.5 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 123.7 | 177.9 | -70.3 | -176.2 | 175 | -157.8 | -0.8 | 109.6 | P376 | P376-R378 PolarHBondContact O-N 3.25Š|
| 379 | P | 51.8 | Low | 45.9 | Very low | 124 Ų | 124 | 119.1 Ų | 119.1 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 145.6 | 166.3 | -25.6 | 36 | 0 | 0 | 0 | 110.7 | G377 | G377-P379 WeakPolarHBondContact O-CD 3.35Š|
| 380 | G | 44.9 | Very low | 45.5 | Very low | 60 Ų | 60 | 117.9 Ų | 117.9 | 62% | 0.619 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 158.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D382 | G380-D382 PolarHBondContact O-N 3.02Š|
| 381 | L | 42.2 | Very low | 44.7 | Very low | 183 Ų | 183 | 120.1 Ų | 120.1 | 96% | 0.958 | 78% | 0.781 | S | S | * | * | trans | -92.8 | 79.4 | 171 | -79.4 | 171.5 | 0 | 0 | 0 | 110.1 | ||||
| 382 | D | 43.6 | Very low | 44.1 | Very low | 156 Ų | 156 | 121.3 Ų | 121.3 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | trans | -126.2 | 135 | 170.9 | -53.9 | -69.1 | 0 | 0 | 0 | 108.3 | G380 | G380-D382 PolarHBondContact O-N 3.02Š| ||
| 383 | G | 39.4 | Very low | 43.2 | Very low | 77 Ų | 77 | 118.8 Ų | 118.8 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | cis | 172.9 | 112.3 | -8.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 384 | A | 42.7 | Very low | 42.2 | Very low | 102 Ų | 102 | 121.6 Ų | 121.6 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -79.8 | 154.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 385 | P | 48.7 | Very low | 41.6 | Very low | 134 Ų | 134 | 122 Ų | 122 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | cis | -127.5 | -170.5 | 23.5 | 37.8 | -18.5 | 0 | 0 | 0 | 113.5 | ||||
| 386 | G | 37.9 | Very low | 41 | Very low | 76 Ų | 76 | 124.8 Ų | 124.8 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | cis | 143.7 | 158.1 | -5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 387 | A | 32.9 | Very low | 39.8 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | -148.2 | 167.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 388 | R | 38.5 | Very low | 39.2 | Very low | 225 Ų | 225 | 126.4 Ų | 126.4 | 85% | 0.849 | 80% | 0.797 | S | S | * | * | trans | -136.4 | 143.2 | -162.2 | 164.5 | -175.7 | 163.8 | 168.4 | -1.4 | 114.1 | E390 | R388-E390 IonicContact CZ-OE1 3.66Å; R388-E390 IonicContact NE-OE1 3.74Å; R388-E390 IonicContact NH2-OE1 3.21Å; R388-E390 PolarHBondContact NH2-OE1 3.12Å | ||
| 389 | G | 41.7 | Very low | 39.2 | Very low | 65 Ų | 65 | 121.6 Ų | 121.6 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | trans | 123.6 | 148.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 390 | E | 32.9 | Very low | 38.8 | Very low | 137 Ų | 137 | 121.7 Ų | 121.7 | 64% | 0.64 | 79% | 0.794 | S | S | * | * | cis | -168.7 | 139.6 | -14.9 | -130.4 | 164.2 | -148 | 0 | 0 | 110.2 | R388 | R388-E390 IonicContact CZ-OE1 3.66Å; R388-E390 IonicContact NE-OE1 3.74Å; R388-E390 IonicContact NH2-OE1 3.21Å; R388-E390 PolarHBondContact NH2-OE1 3.12Å | ||
| 391 | N | 32.6 | Very low | 38.4 | Very low | 154 Ų | 154 | 122.2 Ų | 122.2 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | 42.5 | 136.9 | 161.3 | -47.2 | -35.5 | 0 | 0 | 0 | 121.1 | ||||
| 392 | G | 40.9 | Very low | 38.1 | Very low | 82 Ų | 82 | 122.2 Ų | 122.2 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | cis | 113.2 | 145.5 | 17.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 393 | A | 34 | Very low | 37.9 | Very low | 70 Ų | 70 | 124.9 Ų | 124.9 | 58% | 0.579 | 80% | 0.803 | S | S | * | * | cis | -169.5 | -175.3 | -2.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 394 | H | 39.6 | Very low | 37.8 | Very low | 178 Ų | 178 | 125 Ų | 125 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | 69.2 | 150.4 | -175.9 | -71.7 | 37.4 | 0 | 0 | 0 | 115.6 | ||||
| 395 | G | 40.7 | Very low | 37.4 | Very low | 69 Ų | 69 | 123.3 Ų | 123.3 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | cis | -172.5 | -160.7 | 0.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 396 | M | 35.9 | Very low | 37.1 | Very low | 178 Ų | 178 | 119.5 Ų | 119.5 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | cis | -157.8 | -177 | 3.4 | -68.8 | -173.2 | 67.1 | 0 | 0 | 110.8 | ||||
| 397 | N | 32 | Very low | 37.3 | Very low | 162 Ų | 162 | 116.7 Ų | 116.7 | 87% | 0.866 | 75% | 0.745 | S | S | * | * | trans | -60.6 | 161.7 | 176.8 | -47.6 | -48.6 | 0 | 0 | 0 | 115.2 | ||||
| 398 | G | 35.4 | Very low | 37.5 | Very low | 68 Ų | 68 | 116.2 Ų | 116.2 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | cis | 146.9 | 159.5 | -1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 399 | V | 35.9 | Very low | 38.1 | Very low | 142 Ų | 142 | 111.3 Ų | 111.3 | 86% | 0.861 | 72% | 0.722 | S | S | * | * | trans | -144.9 | 118 | 175.2 | -176.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 400 | P | 42.4 | Very low | 38.3 | Very low | 126 Ų | 126 | 110.7 Ų | 110.7 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -78.7 | 148.5 | 159.2 | -4.2 | 22.7 | 0 | 0 | 0 | 110 | ||||
| 401 | G | 36.9 | Very low | 38.9 | Very low | 72 Ų | 72 | 110.5 Ų | 110.5 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | cis | 142.2 | 133.1 | 10.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 402 | I | 35.8 | Very low | 39.6 | Very low | 183 Ų | 183 | 109.7 Ų | 109.7 | 94% | 0.938 | 73% | 0.726 | S | S | * | * | trans | -116.2 | 144.9 | -175.6 | 56.5 | 171.2 | 0 | 0 | 0 | 113.4 | ||||
| 403 | K | 38.5 | Very low | 39.8 | Very low | 211 Ų | 211 | 108.8 Ų | 108.8 | 92% | 0.917 | 72% | 0.717 | S | S | * | * | trans | -118.8 | 132 | -163.7 | 174.6 | -174.9 | 176.5 | -177.8 | 0 | 112 | ||||
| 404 | G | 37.2 | Very low | 39.9 | Very low | 81 Ų | 81 | 113.3 Ų | 113.3 | 84% | 0.835 | 73% | 0.731 | S | S | * | * | trans | 96.9 | 106.5 | 155 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 405 | G | 35.2 | Very low | 40.3 | Very low | 65 Ų | 65 | 110.6 Ų | 110.6 | 67% | 0.67 | 73% | 0.729 | S | S | * | * | trans | -134.2 | 99.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G407 | G405-G407 PolarHBondContact O-N 2.87Š| ||
| 406 | S | 41.5 | Very low | 40.6 | Very low | 55 Ų | 55 | 110.8 Ų | 110.8 | 39% | 0.385 | 73% | 0.731 | S | S | . | * | trans | -73.6 | 94.4 | 178.5 | -74.8 | 0 | 0 | 0 | 0 | 110.9 | R781 K782 | S406-R781 WeakPolarHBondContact CB-O 3.31Å; S406-R781 WeakPolarHBondContact O-CD 3.38Å; S406-R781 PolarHBondContact O-NH1 3.23Å; S406-R781 PolarHBondContact OG-O 3.02Å; S406-K782 PolarHBondContact OG-O 3.33Å | ||
| 407 | G | 42.3 | Very low | 40.6 | Very low | 17 Ų | 17 | 107.1 Ų | 107.1 | 18% | 0.175 | 73% | 0.729 | C | S | . | * | trans | -63.5 | 179.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116 | G405 | G405-G407 PolarHBondContact O-N 2.87Š| ||
| 408 | P | 38.5 | Very low | 41 | Very low | 101 Ų | 101 | 105.2 Ų | 105.2 | 66% | 0.656 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 155.7 | -169.2 | 31.5 | -36.5 | 0 | 0 | 0 | 114.1 | ||
| 409 | I | 49.7 | Very low | 41.3 | Very low | 121 Ų | 121 | 105.3 Ų | 105.3 | 62% | 0.621 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 147.2 | 161.4 | -62.8 | 164.6 | 0 | 0 | 0 | 107.4 | ||
| 410 | G | 47.3 | Very low | 41.3 | Very low | 53 Ų | 53 | 106 Ų | 106 | 55% | 0.546 | 73% | 0.727 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 153.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V412 | G410-V412 PolarHBondContact O-N 3.03Š|
| 411 | P | 44 | Very low | 41.2 | Very low | 132 Ų | 132 | 105.6 Ų | 105.6 | 86% | 0.857 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 134 | 172.7 | 26.8 | -33.7 | 0 | 0 | 0 | 109.6 | ||
| 412 | V | 47.4 | Very low | 41.5 | Very low | 137 Ų | 137 | 105.6 Ų | 105.6 | 83% | 0.83 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 138.2 | 169.3 | 177.3 | 0 | 0 | 0 | 0 | 107.9 | G410 L414 | G410-V412 PolarHBondContact O-N 3.03Å; V412-L414 PolarHBondContact O-N 3.23Å |
| 413 | G | 46.3 | Very low | 41.4 | Very low | 63 Ų | 63 | 106.2 Ų | 106.2 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 131 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 414 | L | 35.8 | Very low | 41.3 | Very low | 166 Ų | 166 | 101 Ų | 101 | 87% | 0.869 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -58 | 134.2 | 171 | -69.5 | 169.1 | 0 | 0 | 0 | 108.8 | V412 G416 | V412-L414 PolarHBondContact O-N 3.23Å; L414-G416 PolarHBondContact O-N 2.88Å |
| 415 | P | 48 | Very low | 41.5 | Very low | 120 Ų | 120 | 100 Ų | 100 | 78% | 0.779 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 138.4 | 166.4 | -24.5 | 34.6 | 0 | 0 | 0 | 109.8 | A417 | P415-A417 PolarHBondContact O-N 3Š|
| 416 | G | 46.8 | Very low | 41.6 | Very low | 74 Ų | 74 | 103.3 Ų | 103.3 | 76% | 0.763 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 130.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L414 S418 | L414-G416 PolarHBondContact O-N 2.88Å; G416-S418 PolarHBondContact O-N 3.34Å |
| 417 | A | 36.7 | Very low | 41.4 | Very low | 101 Ų | 101 | 109.5 Ų | 109.5 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 129 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | P415 G419 | P415-A417 PolarHBondContact O-N 3Å; A417-G419 PolarHBondContact O-N 2.91Å |
| 418 | S | 39 | Very low | 41.5 | Very low | 121 Ų | 121 | 111.2 Ų | 111.2 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 131.8 | 178.4 | -59.1 | 0 | 0 | 0 | 0 | 110.8 | G416 | G416-S418 PolarHBondContact O-N 3.34Š|
| 419 | G | 42.2 | Very low | 41.6 | Very low | 71 Ų | 71 | 112.6 Ų | 112.6 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62 | 143.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A417 | A417-G419 PolarHBondContact O-N 2.91Š|
| 420 | I | 35.6 | Very low | 41.2 | Very low | 155 Ų | 155 | 114.9 Ų | 114.9 | 80% | 0.795 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 127.2 | 173.2 | -57 | 161.5 | 0 | 0 | 0 | 108.4 | G422 | I420-G422 PolarHBondContact O-N 3.22Å; I420-G422 VanDerWaalsContact O-N 3.16Å |
| 421 | P | 41.1 | Very low | 41.1 | Very low | 119 Ų | 119 | 114.8 Ų | 114.8 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 117.6 | 175.9 | -23.9 | 34.8 | 0 | 0 | 0 | 111.2 | ||
| 422 | G | 43.9 | Very low | 41.1 | Very low | 71 Ų | 71 | 114.8 Ų | 114.8 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 145.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I420 | I420-G422 PolarHBondContact O-N 3.22Å; I420-G422 VanDerWaalsContact O-N 3.16Å |
| 423 | H | 32.1 | Very low | 41.1 | Very low | 196 Ų | 196 | 114 Ų | 114 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 138.1 | 174.3 | -62.6 | -84.1 | 0 | 0 | 0 | 111 | G425 | H423-G425 PolarHBondContact O-N 3.28Š|
| 424 | A | 36.6 | Very low | 41.1 | Very low | 103 Ų | 103 | 113.6 Ų | 113.6 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 128.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 425 | G | 42.4 | Very low | 41.6 | Very low | 60 Ų | 60 | 112 Ų | 112 | 62% | 0.619 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -70 | 162.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H423 | H423-G425 PolarHBondContact O-N 3.28Š|
| 426 | P | 37.2 | Very low | 41.6 | Very low | 134 Ų | 134 | 117.8 Ų | 117.8 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 139.2 | 178.9 | 26.6 | -34.5 | 0 | 0 | 0 | 111.1 | G428 | P426-G428 PolarHBondContact O-N 3.27Š|
| 427 | M | 36.8 | Very low | 41.8 | Very low | 185 Ų | 185 | 116.7 Ų | 116.7 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 118.9 | 175.1 | -179.5 | 171.9 | 65.2 | 0 | 0 | 109.9 | ||
| 428 | G | 44.2 | Very low | 42.2 | Very low | 52 Ų | 52 | 118.2 Ų | 118.2 | 54% | 0.536 | 77% | 0.766 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 152.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | P426 M430 | P426-G428 PolarHBondContact O-N 3.27Å; G428-M430 PolarHBondContact O-N 3.07Å |
| 429 | P | 39.9 | Very low | 42.2 | Very low | 131 Ų | 131 | 119.2 Ų | 119.2 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 128.4 | 176.3 | 25.7 | -33.8 | 0 | 0 | 0 | 109.6 | G431 | P429-G431 PolarHBondContact O-N 3.34Å; P429-G431 VanDerWaalsContact O-N 3.12Å |
| 430 | M | 41.3 | Very low | 42.5 | Very low | 168 Ų | 168 | 118.9 Ų | 118.9 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 119.7 | 175 | 179.8 | 172.7 | 64.9 | 0 | 0 | 108.9 | G428 | G428-M430 PolarHBondContact O-N 3.07Š|
| 431 | G | 46.8 | Very low | 42.7 | Very low | 51 Ų | 51 | 116.3 Ų | 116.3 | 53% | 0.526 | 77% | 0.765 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 149 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | P429 V433 | P429-G431 PolarHBondContact O-N 3.34Å; P429-G431 VanDerWaalsContact O-N 3.12Å; G431-V433 PolarHBondContact O-N 2.85Å; G431-V433 VanDerWaalsContact O-N 3.12Å |
| 432 | P | 43.2 | Very low | 42.8 | Very low | 132 Ų | 132 | 118.6 Ų | 118.6 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -56 | 124.3 | 177.6 | 24.5 | -33.6 | 0 | 0 | 0 | 108.9 | G434 | P432-G434 PolarHBondContact O-N 2.79Š|
| 433 | V | 47.7 | Very low | 43.3 | Very low | 122 Ų | 122 | 118 Ų | 118 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | trans | -56.5 | 113.5 | 177.3 | 176.7 | 0 | 0 | 0 | 0 | 107.4 | G431 | G431-V433 PolarHBondContact O-N 2.85Å; G431-V433 VanDerWaalsContact O-N 3.12Å | ||
| 434 | G | 46.3 | Very low | 44 | Very low | 53 Ų | 53 | 114.9 Ų | 114.9 | 55% | 0.546 | 76% | 0.76 | S | S | . | * | trans | -54 | 139.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | P432 R436 | P432-G434 PolarHBondContact O-N 2.79Å; G434-R436 PolarHBondContact O-N 3Å | ||
| 435 | P | 45.5 | Very low | 44.1 | Very low | 132 Ų | 132 | 114.9 Ų | 114.9 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | trans | -55.9 | 111.7 | -172.5 | 22.1 | -33.3 | 0 | 0 | 0 | 109.6 | G437 | P435-G437 PolarHBondContact O-N 2.93Å; P435-G437 VanDerWaalsContact O-N 3.09Å | ||
| 436 | R | 48.1 | Very low | 44.5 | Very low | 243 Ų | 243 | 115.7 Ų | 115.7 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 119.7 | 178.8 | -179.3 | 176.4 | 178.5 | 171.6 | -0.4 | 107.4 | G434 | G434-R436 PolarHBondContact O-N 3Š|
| 437 | G | 51.1 | Low | 44.6 | Very low | 51 Ų | 51 | 119 Ų | 119 | 53% | 0.526 | 77% | 0.773 | S | S | . | * | P | Polyproline II helix | trans | -52.9 | 149.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P435 T439 | P435-G437 PolarHBondContact O-N 2.93Å; P435-G437 VanDerWaalsContact O-N 3.09Å; G437-T439 PolarHBondContact O-N 2.78Å |
| 438 | P | 45.1 | Very low | 44.8 | Very low | 133 Ų | 133 | 118.1 Ų | 118.1 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -53.2 | 136.1 | -175.4 | 23.2 | -34.3 | 0 | 0 | 0 | 110.6 | G440 | P438-G440 PolarHBondContact O-N 3.13Š|
| 439 | T | 38.5 | Very low | 44.9 | Very low | 141 Ų | 141 | 119.3 Ų | 119.3 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | trans | -49.1 | 106.5 | -170.4 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | G437 A441 | G437-T439 PolarHBondContact O-N 2.78Å; T439-A441 PolarHBondContact O-N 3.09Å | ||
| 440 | G | 49.2 | Very low | 44.8 | Very low | 64 Ų | 64 | 121.2 Ų | 121.2 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 135.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P438 | P438-G440 PolarHBondContact O-N 3.13Š|
| 441 | A | 40.1 | Very low | 44.6 | Very low | 101 Ų | 101 | 123 Ų | 123 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 147.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T439 G443 | T439-A441 PolarHBondContact O-N 3.09Å; A441-G443 PolarHBondContact O-N 2.95Å |
| 442 | I | 43.6 | Very low | 44.5 | Very low | 168 Ų | 168 | 124.1 Ų | 124.1 | 86% | 0.862 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 119.4 | -178.1 | -65.7 | 163 | 0 | 0 | 0 | 110.2 | ||
| 443 | G | 54.2 | Low | 44.3 | Very low | 59 Ų | 59 | 122.1 Ų | 122.1 | 61% | 0.608 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 139.9 | 157 | 0 | 0 | 0 | 0 | 0 | 109.9 | A441 | A441-G443 PolarHBondContact O-N 2.95Š|
| 444 | P | 45.7 | Very low | 43.9 | Very low | 129 Ų | 129 | 122 Ų | 122 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 158.4 | 177.7 | 29.5 | -35.1 | 0 | 0 | 0 | 112.1 | ||
| 445 | A | 40.4 | Very low | 43.7 | Very low | 104 Ų | 104 | 123 Ų | 123 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 147.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 446 | G | 50.1 | Low | 43.3 | Very low | 77 Ų | 77 | 123.8 Ų | 123.8 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 147.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 447 | E | 39.6 | Very low | 43.4 | Very low | 203 Ų | 203 | 118 Ų | 118 | 95% | 0.949 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 164.3 | -169 | -65.5 | -174.3 | 118.5 | 0 | 0 | 115.5 | ||
| 448 | Q | 39.8 | Very low | 43 | Very low | 167 Ų | 167 | 119.4 Ų | 119.4 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 126.5 | -174.9 | 178.7 | -171.6 | -89.4 | 0 | 0 | 113.8 | ||
| 449 | G | 46.7 | Very low | 42.9 | Very low | 76 Ų | 76 | 116.6 Ų | 116.6 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 132.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 450 | M | 37.8 | Very low | 43.1 | Very low | 172 Ų | 172 | 118.4 Ų | 118.4 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 158.1 | -171.6 | -66.5 | -175.1 | 74.2 | 0 | 0 | 115.1 | ||
| 451 | K | 37.9 | Very low | 42.8 | Very low | 204 Ų | 204 | 118.1 Ų | 118.1 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 139.9 | -179 | -115.6 | 174.5 | -179.7 | 171.7 | 0 | 114.2 | ||
| 452 | G | 44.1 | Very low | 42.9 | Very low | 76 Ų | 76 | 119.7 Ų | 119.7 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 148.3 | 149.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 453 | A | 38.7 | Very low | 42.9 | Very low | 89 Ų | 89 | 117.7 Ų | 117.7 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | -125.6 | 131.1 | -164.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 454 | T | 40.3 | Very low | 42.3 | Very low | 119 Ų | 119 | 118 Ų | 118 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | trans | 62.4 | 116.6 | 139.6 | -47.3 | 0 | 0 | 0 | 0 | 120.9 | L456 | T454-L456 HydrophobicContact CG2-CB 4.23Å; T454-L456 HydrophobicContact CG2-CD1 3.68Å; T454-L456 HydrophobicContact CG2-CG 3.79Å | ||
| 455 | G | 41.1 | Very low | 41.9 | Very low | 76 Ų | 76 | 120.1 Ų | 120.1 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | -126.7 | 131.1 | 142.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 456 | L | 37.6 | Very low | 42.2 | Very low | 147 Ų | 147 | 122.4 Ų | 122.4 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -152.8 | 167.1 | -172.7 | -75.8 | 176 | 0 | 0 | 0 | 109.6 | T454 | T454-L456 HydrophobicContact CG2-CB 4.23Å; T454-L456 HydrophobicContact CG2-CD1 3.68Å; T454-L456 HydrophobicContact CG2-CG 3.79Å | ||
| 457 | P | 50 | Low | 42 | Very low | 121 Ų | 121 | 121.6 Ų | 121.6 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | -140.7 | -170.7 | -51.2 | 41.1 | -24.3 | 0 | 0 | 0 | 112.3 | |||||
| 458 | G | 41.9 | Very low | 41.8 | Very low | 81 Ų | 81 | 119.8 Ų | 119.8 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | 172.9 | 136.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 459 | G | 43.7 | Very low | 42.6 | Very low | 75 Ų | 75 | 118 Ų | 118 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | cis | 172.6 | 120.3 | -10.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 460 | H | 42.6 | Very low | 42.5 | Very low | 178 Ų | 178 | 117.8 Ų | 117.8 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | 56.7 | 151.8 | 179.3 | -91.1 | -46.8 | 0 | 0 | 0 | 118.5 | D462 | H460-D462 IonicContact CE1-OD1 2.95Å; H460-D462 PolarHBondContact CE1-OD1 3.12Å; H460-D462 VanDerWaalsContact CE1-OD1 3.23Å; H460-D462 IonicContact CE1-OD2 3.23Å; H460-D462 PolarHBondContact CE1-OD2 3.1Å; H460-D462 VanDerWaalsContact CE1-OD2 3.29Å; H460-D462 IonicContact ND1-OD1 3.82Å; H460-D462 PolarHBondContact ND1-OD1 3.07Å; H460-D462 IonicContact ND1-OD2 2.86Å; H460-D462 PolarHBondContact ND1-OD2 2.94Å | ||
| 461 | G | 43.5 | Very low | 42.6 | Very low | 58 Ų | 58 | 115 Ų | 115 | 60% | 0.598 | 78% | 0.782 | S | S | * | * | cis | -168.3 | 153.1 | -3.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 462 | D | 41.9 | Very low | 43 | Very low | 135 Ų | 135 | 113.1 Ų | 113.1 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | 59.4 | 136.5 | 129.4 | -38.1 | -14.7 | 0 | 0 | 0 | 118.5 | H460 | H460-D462 IonicContact CE1-OD1 2.95Å; H460-D462 PolarHBondContact CE1-OD1 3.12Å; H460-D462 VanDerWaalsContact CE1-OD1 3.23Å; H460-D462 IonicContact CE1-OD2 3.23Å; H460-D462 PolarHBondContact CE1-OD2 3.1Å; H460-D462 VanDerWaalsContact CE1-OD2 3.29Å; H460-D462 IonicContact ND1-OD1 3.82Å; H460-D462 PolarHBondContact ND1-OD1 3.07Å; H460-D462 IonicContact ND1-OD2 2.86Å; H460-D462 PolarHBondContact ND1-OD2 2.94Å | |||
| 463 | S | 42.9 | Very low | 43 | Very low | 126 Ų | 126 | 113.1 Ų | 113.1 | 88% | 0.881 | 78% | 0.782 | S | S | * | * | cis | -163.9 | 153.8 | -3.2 | -165.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 464 | G | 41.4 | Very low | 43.1 | Very low | 65 Ų | 65 | 117.8 Ų | 117.8 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | cis | 166.4 | 135.1 | -5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 465 | D | 38.7 | Very low | 43.5 | Very low | 173 Ų | 173 | 118 Ų | 118 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | trans | -98.2 | 150.5 | 174.9 | -75.3 | -59.6 | 0 | 0 | 0 | 111.3 | ||||
| 466 | V | 46.7 | Very low | 43.9 | Very low | 152 Ų | 152 | 117.4 Ų | 117.4 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -82.7 | 131.7 | 177.4 | 177.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 467 | G | 44.4 | Very low | 44.1 | Very low | 60 Ų | 60 | 116.7 Ų | 116.7 | 62% | 0.619 | 79% | 0.788 | S | S | * | * | trans | -110.2 | 155.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 468 | D | 35.6 | Very low | 44 | Very low | 166 Ų | 166 | 120.2 Ų | 120.2 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -78.7 | 127.8 | -179.7 | -60.7 | -63.6 | 0 | 0 | 0 | 113.3 | ||||
| 469 | P | 56.4 | Low | 44.8 | Very low | 130 Ų | 130 | 119 Ų | 119 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | trans | -87.6 | 109.6 | 174.3 | -12 | 30.4 | 0 | 0 | 0 | 114.2 | ||||
| 470 | G | 44.6 | Very low | 44.8 | Very low | 70 Ų | 70 | 121.9 Ų | 121.9 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 27.4 | 121.1 | 146 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 471 | P | 40.6 | Very low | 44.8 | Very low | 113 Ų | 113 | 118.3 Ų | 118.3 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -75.1 | 164.3 | 153 | 33.6 | -34 | 0 | 0 | 0 | 111.4 | ||||
| 472 | D | 47.2 | Very low | 45.4 | Very low | 165 Ų | 165 | 119.1 Ų | 119.1 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | cis | -155.1 | 173.4 | -8.4 | -108.1 | -31.9 | 0 | 0 | 0 | 109 | ||||
| 473 | G | 44.1 | Very low | 45.7 | Very low | 76 Ų | 76 | 117.7 Ų | 117.7 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | -139.4 | 95.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 474 | E | 40.8 | Very low | 45.9 | Very low | 187 Ų | 187 | 118.6 Ų | 118.6 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -74.3 | 152.1 | 164.1 | -69.5 | -171.2 | 169.7 | 0 | 0 | 111.5 | ||||
| 475 | T | 46.9 | Very low | 46.9 | Very low | 125 Ų | 125 | 118 Ų | 118 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | cis | -159.4 | 148.5 | -15.3 | -90.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 476 | G | 49.7 | Very low | 47.4 | Very low | 62 Ų | 62 | 115.6 Ų | 115.6 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | trans | -113.6 | 142.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 477 | P | 42.8 | Very low | 47.9 | Very low | 132 Ų | 132 | 114.5 Ų | 114.5 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 158.8 | -178 | 31.1 | -35.7 | 0 | 0 | 0 | 113.5 | ||
| 478 | E | 46.7 | Very low | 48.5 | Very low | 195 Ų | 195 | 115.1 Ų | 115.1 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 139.2 | -172.7 | -170.8 | 174.2 | -165.8 | 0 | 0 | 114.2 | ||
| 479 | G | 59.7 | Low | 49.1 | Very low | 56 Ų | 56 | 115.3 Ų | 115.3 | 58% | 0.577 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 154.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 480 | P | 43.9 | Very low | 49 | Very low | 135 Ų | 135 | 115 Ų | 115 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 149.9 | -170.4 | 27.9 | -35.8 | 0 | 0 | 0 | 113.8 | ||
| 481 | A | 42.7 | Very low | 49.7 | Very low | 104 Ų | 104 | 114.5 Ų | 114.5 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 137.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 482 | G | 56.9 | Low | 50.2 | Low | 74 Ų | 74 | 115.3 Ų | 115.3 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 151.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 483 | A | 46.2 | Very low | 50.1 | Low | 106 Ų | 106 | 113.8 Ų | 113.8 | 88% | 0.876 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 143 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G485 | A483-G485 PolarHBondContact O-N 3.05Š|
| 484 | V | 47.2 | Very low | 50.4 | Low | 144 Ų | 144 | 113.3 Ų | 113.3 | 87% | 0.873 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -68 | 124.4 | 179 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | ||
| 485 | G | 63.5 | Low | 50.4 | Low | 52 Ų | 52 | 112 Ų | 112 | 54% | 0.536 | 78% | 0.782 | S | S | . | * | P | Polyproline II helix | trans | -72.9 | 150.5 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | A483 | A483-G485 PolarHBondContact O-N 3.05Š|
| 486 | P | 49.7 | Very low | 50.2 | Low | 124 Ų | 124 | 114.5 Ų | 114.5 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 145.3 | -179.3 | 27.7 | -34.8 | 0 | 0 | 0 | 111.7 | ||
| 487 | P | 55.8 | Low | 50.2 | Low | 128 Ų | 128 | 113.8 Ų | 113.8 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 138.9 | 179.6 | -25.2 | 34.7 | 0 | 0 | 0 | 113.2 | ||
| 488 | G | 58.7 | Low | 50.5 | Low | 73 Ų | 73 | 113.6 Ų | 113.6 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 142.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 489 | L | 47 | Very low | 50.4 | Low | 170 Ų | 170 | 112.9 Ų | 112.9 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 139.4 | 178.6 | -69.9 | 169.5 | 0 | 0 | 0 | 110.9 | G491 | L489-G491 PolarHBondContact O-N 3.29Š|
| 490 | P | 54.3 | Low | 49.7 | Very low | 123 Ų | 123 | 112.9 Ų | 112.9 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 131.6 | -179.9 | -24.6 | 34.2 | 0 | 0 | 0 | 112.6 | ||
| 491 | G | 59.7 | Low | 49.7 | Very low | 60 Ų | 60 | 112.4 Ų | 112.4 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 152.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L489 V493 | L489-G491 PolarHBondContact O-N 3.29Å; G491-V493 PolarHBondContact O-N 3.46Å |
| 492 | P | 50.1 | Low | 49.7 | Very low | 131 Ų | 131 | 116.1 Ų | 116.1 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 138.4 | 175.2 | 27.1 | -34.1 | 0 | 0 | 0 | 110.4 | G494 | P492-G494 PolarHBondContact O-N 2.9Š|
| 493 | V | 45.5 | Very low | 49 | Very low | 133 Ų | 133 | 115.9 Ų | 115.9 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 119 | 179.2 | 176 | 0 | 0 | 0 | 0 | 109.5 | G491 | G491-V493 PolarHBondContact O-N 3.46Š|
| 494 | G | 50.2 | Low | 48.5 | Very low | 66 Ų | 66 | 115.3 Ų | 115.3 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 136.5 | 156.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | P492 Q496 | P492-G494 PolarHBondContact O-N 2.9Å; G494-Q496 PolarHBondContact O-N 3.28Å |
| 495 | D | 41.1 | Very low | 48.3 | Very low | 159 Ų | 159 | 113.4 Ų | 113.4 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 127.7 | -171.9 | -63.9 | -60.7 | 0 | 0 | 0 | 111.8 | G497 | D495-G497 PolarHBondContact O-N 2.86Š|
| 496 | Q | 42.9 | Very low | 47.3 | Very low | 177 Ų | 177 | 113.9 Ų | 113.9 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | trans | -62.2 | 107 | 173 | -179.8 | 174.6 | -13 | 0 | 0 | 107.8 | G494 | G494-Q496 PolarHBondContact O-N 3.28Š| ||
| 497 | G | 50 | Low | 46.9 | Very low | 48 Ų | 48 | 113.6 Ų | 113.6 | 50% | 0.495 | 76% | 0.759 | S | S | . | * | P | Polyproline II helix | trans | -53.9 | 151.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | D495 E499 | D495-G497 PolarHBondContact O-N 2.86Å; G497-E499 PolarHBondContact O-N 3.27Å |
| 498 | P | 47.9 | Very low | 46.5 | Very low | 128 Ų | 128 | 113.3 Ų | 113.3 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 135.7 | -178.9 | 23.8 | -34.4 | 0 | 0 | 0 | 109.6 | G500 | P498-G500 PolarHBondContact O-N 3.17Š|
| 499 | E | 44.7 | Very low | 45.7 | Very low | 180 Ų | 180 | 112.8 Ų | 112.8 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 116.5 | 179.9 | -174.2 | 167.4 | -161.3 | 0 | 0 | 109.3 | G497 | G497-E499 PolarHBondContact O-N 3.27Š|
| 500 | G | 45.9 | Very low | 45.3 | Very low | 55 Ų | 55 | 110.2 Ų | 110.2 | 57% | 0.567 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 133.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | P498 E502 | P498-G500 PolarHBondContact O-N 3.17Å; G500-E502 PolarHBondContact O-N 2.89Å |
| 501 | P | 44.3 | Very low | 44.7 | Very low | 126 Ų | 126 | 108.9 Ų | 108.9 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 131.4 | -176.7 | 23.1 | -33.9 | 0 | 0 | 0 | 109.1 | G503 | P501-G503 PolarHBondContact O-N 3.03Å; P501-G503 VanDerWaalsContact O-N 3.07Å |
| 502 | E | 41.5 | Very low | 43.9 | Very low | 181 Ų | 181 | 109.2 Ų | 109.2 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | -37.8 | 115.5 | -172.3 | -175.8 | 178.6 | -171.6 | 0 | 0 | 110.3 | G500 A504 | G500-E502 PolarHBondContact O-N 2.89Å; E502-A504 PolarHBondContact O-N 3.01Å | ||
| 503 | G | 42 | Very low | 43.3 | Very low | 70 Ų | 70 | 113.5 Ų | 113.5 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | -57.5 | 104 | -165.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | P501 S505 | P501-G503 PolarHBondContact O-N 3.03Å; P501-G503 VanDerWaalsContact O-N 3.07Å; G503-S505 PolarHBondContact O-N 2.99Å; G503-S505 VanDerWaalsContact O-N 3.08Å | ||
| 504 | A | 37.1 | Very low | 43.2 | Very low | 93 Ų | 93 | 114.9 Ų | 114.9 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | -47.4 | 118 | -162.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | E502 G506 | E502-A504 PolarHBondContact O-N 3.01Å; A504-G506 PolarHBondContact O-N 2.95Å | ||
| 505 | S | 42.8 | Very low | 43 | Very low | 105 Ų | 105 | 114.3 Ų | 114.3 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | -45.2 | 115.7 | -177.4 | -49.6 | 0 | 0 | 0 | 0 | 109 | G503 | G503-S505 PolarHBondContact O-N 2.99Å; G503-S505 VanDerWaalsContact O-N 3.08Å | ||
| 506 | G | 42.8 | Very low | 43 | Very low | 62 Ų | 62 | 112.5 Ų | 112.5 | 64% | 0.639 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 129.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | A504 | A504-G506 PolarHBondContact O-N 2.95Š|
| 507 | P | 40 | Very low | 43.1 | Very low | 118 Ų | 118 | 110.1 Ų | 110.1 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 130.3 | -171.2 | 21 | -32.9 | 0 | 0 | 0 | 108.4 | G509 | P507-G509 PolarHBondContact O-N 3.36Š|
| 508 | P | 47.7 | Very low | 42.9 | Very low | 122 Ų | 122 | 111.1 Ų | 111.1 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 122.3 | -179.1 | -30 | 35.4 | 0 | 0 | 0 | 109.3 | ||
| 509 | G | 42.5 | Very low | 42.4 | Very low | 62 Ų | 62 | 113.9 Ų | 113.9 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 130.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 109 | P507 A511 | P507-G509 PolarHBondContact O-N 3.36Å; G509-A511 PolarHBondContact O-N 3.18Å; G509-A511 VanDerWaalsContact O-N 3.09Å |
| 510 | P | 39.1 | Very low | 42.3 | Very low | 116 Ų | 116 | 113 Ų | 113 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 121.8 | -160.7 | 18.8 | -32.8 | 0 | 0 | 0 | 109.8 | G512 | P510-G512 PolarHBondContact O-N 3.21Š|
| 511 | A | 41.8 | Very low | 42.3 | Very low | 94 Ų | 94 | 114 Ų | 114 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 118.3 | -176 | 0 | 0 | 0 | 0 | 0 | 108.4 | G509 Y513 | G509-A511 PolarHBondContact O-N 3.18Å; G509-A511 VanDerWaalsContact O-N 3.09Å; A511-Y513 PolarHBondContact O-N 3.33Å; A511-Y513 VanDerWaalsContact O-N 3.15Å |
| 512 | G | 41.9 | Very low | 42 | Very low | 67 Ų | 67 | 117.5 Ų | 117.5 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 125 | -171.4 | 0 | 0 | 0 | 0 | 0 | 109 | P510 D514 | P510-G512 PolarHBondContact O-N 3.21Å; G512-D514 PolarHBondContact O-N 3.16Å |
| 513 | Y | 37.3 | Very low | 41.9 | Very low | 222 Ų | 222 | 117.1 Ų | 117.1 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | trans | -48.1 | 111.5 | -170.1 | -60.3 | -83.5 | 0 | 0 | 0 | 110.8 | A511 G515 | A511-Y513 PolarHBondContact O-N 3.33Å; A511-Y513 VanDerWaalsContact O-N 3.15Å; Y513-G515 PolarHBondContact O-N 3.43Å; Y513-G515 VanDerWaalsContact O-N 3.13Å | ||
| 514 | D | 44.1 | Very low | 41.9 | Very low | 161 Ų | 161 | 117 Ų | 117 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 123.9 | 170.3 | -79.9 | -48.5 | 0 | 0 | 0 | 107.6 | G512 | G512-D514 PolarHBondContact O-N 3.16Š|
| 515 | G | 45.3 | Very low | 41.8 | Very low | 55 Ų | 55 | 121.1 Ų | 121.1 | 57% | 0.567 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 142.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y513 P517 | Y513-G515 PolarHBondContact O-N 3.43Å; Y513-G515 VanDerWaalsContact O-N 3.13Å; G515-P517 VanDerWaalsContact O-N 3.14Å |
| 516 | P | 40.6 | Very low | 41.7 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 126.7 | 179.3 | 22.3 | -33.2 | 0 | 0 | 0 | 108.7 | G518 | P516-G518 PolarHBondContact O-N 3.28Š|
| 517 | P | 46.2 | Very low | 41.7 | Very low | 126 Ų | 126 | 122.6 Ų | 122.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 126.7 | -172.8 | -33.2 | 36.2 | 0 | 0 | 0 | 111.6 | G515 M519 | G515-P517 VanDerWaalsContact O-N 3.14Å; P517-M519 PolarHBondContact O-N 2.89Å |
| 518 | G | 45.7 | Very low | 41.7 | Very low | 69 Ų | 69 | 126.2 Ų | 126.2 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 127.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P516 D520 | P516-G518 PolarHBondContact O-N 3.28Å; G518-D520 PolarHBondContact O-N 3.15Å |
| 519 | M | 38.1 | Very low | 41.6 | Very low | 187 Ų | 187 | 126.7 Ų | 126.7 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 128.9 | -179.7 | -51.5 | 178.6 | 79.6 | 0 | 0 | 109.3 | P517 G521 | P517-M519 PolarHBondContact O-N 2.89Å; M519-G521 PolarHBondContact O-N 3.02Å |
| 520 | D | 41.4 | Very low | 41.7 | Very low | 162 Ų | 162 | 127.5 Ų | 127.5 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | -47.6 | 115.1 | -167.3 | -68.7 | -61.9 | 0 | 0 | 0 | 112.9 | G518 K522 | G518-D520 PolarHBondContact O-N 3.15Å; D520-K522 PolarHBondContact O-N 3.09Å; D520-K522 VanDerWaalsContact O-N 3.16Å | ||
| 521 | G | 46.6 | Very low | 41.8 | Very low | 75 Ų | 75 | 130.7 Ų | 130.7 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -68.4 | 110.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | M519 | M519-G521 PolarHBondContact O-N 3.02Š| ||
| 522 | K | 37.8 | Very low | 42.1 | Very low | 199 Ų | 199 | 132 Ų | 132 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | -50.9 | 138 | 180 | -57.4 | 175.8 | -175.3 | 176.6 | 0 | 111.2 | D520 G524 | D520-K522 PolarHBondContact O-N 3.09Å; D520-K522 VanDerWaalsContact O-N 3.16Å; K522-G524 PolarHBondContact O-N 3.2Å | ||
| 523 | D | 39.2 | Very low | 42.3 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | trans | -49.3 | 130.4 | -171.6 | -64.9 | -78.3 | 0 | 0 | 0 | 114.3 | ||||
| 524 | G | 42.3 | Very low | 42.7 | Very low | 68 Ų | 68 | 127.5 Ų | 127.5 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | -137.7 | 35.9 | -159.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | K522 | K522-G524 PolarHBondContact O-N 3.2Š| ||
| 525 | L | 35.7 | Very low | 42.8 | Very low | 180 Ų | 180 | 127.3 Ų | 127.3 | 94% | 0.942 | 80% | 0.795 | S | S | * | * | trans | 69.4 | 161.5 | 169.2 | -57.8 | 173.1 | 0 | 0 | 0 | 117.7 | ||||
| 526 | S | 39.7 | Very low | 42.8 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | -102.5 | 146.7 | -160.2 | -45.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 527 | G | 43.1 | Very low | 43.1 | Very low | 69 Ų | 69 | 128.1 Ų | 128.1 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | 134.9 | 142.5 | 152 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 528 | K | 39.1 | Very low | 43.1 | Very low | 195 Ų | 195 | 127.8 Ų | 127.8 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | cis | -151.4 | 151.3 | -1.8 | -60.1 | -178.6 | -175.5 | 173.6 | 0 | 111.5 | ||||
| 529 | D | 47.2 | Very low | 43.1 | Very low | 131 Ų | 131 | 128 Ų | 128 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | 45.3 | 108.3 | 155 | -68.7 | -69.1 | 0 | 0 | 0 | 121.4 | K531 | D529-K531 WeakPolarHBondContact OD1-CE 3.18Š| ||
| 530 | G | 42.7 | Very low | 43.3 | Very low | 80 Ų | 80 | 128.9 Ų | 128.9 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -147.7 | 112 | 150 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 531 | K | 42 | Very low | 43.2 | Very low | 182 Ų | 182 | 129.8 Ų | 129.8 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 153.6 | -159.2 | -78.3 | -177.4 | 179 | 175.5 | 0 | 115.1 | D529 | D529-K531 WeakPolarHBondContact OD1-CE 3.18Š|
| 532 | P | 48.9 | Very low | 43.3 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 169.2 | -158.9 | 39.1 | -37 | 0 | 0 | 0 | 115.1 | ||
| 533 | G | 45.4 | Very low | 43.4 | Very low | 66 Ų | 66 | 124.8 Ų | 124.8 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -77 | 149.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 534 | P | 46 | Very low | 43.5 | Very low | 129 Ų | 129 | 122.2 Ų | 122.2 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 118.7 | -170.6 | 31.2 | -34.7 | 0 | 0 | 0 | 114.7 | ||
| 535 | Q | 45 | Very low | 43.8 | Very low | 158 Ų | 158 | 122.6 Ų | 122.6 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | 32.3 | 109.2 | 129.8 | -169.9 | 176.6 | 19.9 | 0 | 0 | 119.1 | V537 | Q535-V537 HydrophobicContact CG-CG1 3.81Å; Q535-V537 HydrophobicContact CG-CG2 4.49Å | |||
| 536 | G | 46.2 | Very low | 44.1 | Very low | 81 Ų | 81 | 123.2 Ų | 123.2 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -89.5 | 145.6 | 143.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 537 | V | 47 | Very low | 44.2 | Very low | 112 Ų | 112 | 121.4 Ų | 121.4 | 68% | 0.679 | 78% | 0.781 | S | S | * | * | trans | -124.4 | 155.7 | -179.9 | -95.7 | 0 | 0 | 0 | 0 | 111.2 | Q535 | Q535-V537 HydrophobicContact CG-CG1 3.81Å; Q535-V537 HydrophobicContact CG-CG2 4.49Å | ||
| 538 | P | 46.1 | Very low | 44.4 | Very low | 119 Ų | 119 | 122.1 Ų | 122.1 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 166 | -133.7 | -5 | 26.1 | 0 | 0 | 0 | 115.5 | ||
| 539 | G | 46.7 | Very low | 44.5 | Very low | 74 Ų | 74 | 124.5 Ų | 124.5 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 156.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 540 | E | 40.3 | Very low | 44.1 | Very low | 204 Ų | 204 | 128.4 Ų | 128.4 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 165.3 | -165.4 | -65.2 | -173.2 | 108 | 0 | 0 | 116.2 | ||
| 541 | Q | 39.7 | Very low | 44.3 | Very low | 181 Ų | 181 | 128 Ų | 128 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 132.4 | -179 | 177 | -174.9 | -6.6 | 0 | 0 | 112.9 | ||
| 542 | G | 49.6 | Very low | 44.1 | Very low | 71 Ų | 71 | 125.6 Ų | 125.6 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | trans | -144.7 | 141.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 543 | A | 40.6 | Very low | 44.2 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | cis | -148.6 | 162.3 | -5.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | G545 | A543-G545 PolarHBondContact O-N 3.33Š| ||
| 544 | V | 39.3 | Very low | 44.3 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | trans | -85.6 | 107.2 | 179.4 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | K546 | V544-K546 HydrophobicContact CG1-CG 4.02Š| ||
| 545 | G | 50.1 | Low | 44.2 | Very low | 77 Ų | 77 | 130.9 Ų | 130.9 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -105.2 | 114.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A543 | A543-G545 PolarHBondContact O-N 3.33Š| ||
| 546 | K | 41.2 | Very low | 44.5 | Very low | 192 Ų | 192 | 129.4 Ų | 129.4 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | -98.1 | 108.1 | -179.5 | -77.4 | -173.5 | 177.6 | 178.7 | 0 | 112.9 | V544 | V544-K546 HydrophobicContact CG1-CG 4.02Š| ||
| 547 | A | 42.5 | Very low | 44.8 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | 38.2 | 108.7 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 548 | G | 45.9 | Very low | 44.6 | Very low | 84 Ų | 84 | 129.3 Ų | 129.3 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -72.9 | 151.1 | 141.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 549 | R | 43.3 | Very low | 44.6 | Very low | 244 Ų | 244 | 132.7 Ų | 132.7 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -113.9 | 152.3 | -177.7 | -92.7 | -168.9 | 171.9 | -156.3 | -1.6 | 113.3 | ||||
| 550 | R | 38.8 | Very low | 44.7 | Very low | 214 Ų | 214 | 132.4 Ų | 132.4 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | 69 | 104.8 | 162.6 | 179.6 | 166.9 | -82.3 | 158.1 | -3.7 | 117.4 | D552 | R550-D552 IonicContact CZ-OD2 2.67Å; R550-D552 IonicContact NE-OD2 3.99Å; R550-D552 PolarHBondContact NE-OD2 3.07Å; R550-D552 IonicContact NH2-OD2 3.93Å | ||
| 551 | G | 45.6 | Very low | 44.5 | Very low | 70 Ų | 70 | 129.8 Ų | 129.8 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | -144.4 | 93.9 | 137.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | R553 | G551-R553 PolarHBondContact O-N 2.94Š| ||
| 552 | D | 37.2 | Very low | 44.7 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -75.2 | 86.9 | -167 | -62.8 | -46.6 | 0 | 0 | 0 | 110.5 | R550 | R550-D552 IonicContact CZ-OD2 2.67Å; R550-D552 IonicContact NE-OD2 3.99Å; R550-D552 PolarHBondContact NE-OD2 3.07Å; R550-D552 IonicContact NH2-OD2 3.93Å | ||
| 553 | R | 50.9 | Low | 44.5 | Very low | 244 Ų | 244 | 132.5 Ų | 132.5 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 139.7 | 176.7 | -160 | 171.3 | -171.9 | 168.7 | 2.8 | 109.9 | G551 | G551-R553 PolarHBondContact O-N 2.94Š|
| 554 | G | 49.1 | Very low | 44.3 | Very low | 60 Ų | 60 | 138.8 Ų | 138.8 | 62% | 0.619 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 165.2 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 555 | P | 42.7 | Very low | 44.2 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 138.8 | -174.9 | 24.7 | -34.7 | 0 | 0 | 0 | 111.7 | G557 | P555-G557 PolarHBondContact O-N 2.84Š|
| 556 | P | 53 | Low | 44 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 130.3 | 170 | -23.5 | 33.9 | 0 | 0 | 0 | 110.5 | ||
| 557 | G | 50.6 | Low | 43.6 | Very low | 63 Ų | 63 | 142.5 Ų | 142.5 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 145.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | P555 Q559 | P555-G557 PolarHBondContact O-N 2.84Å; G557-Q559 PolarHBondContact O-N 2.8Å |
| 558 | P | 43.2 | Very low | 43.5 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 137.1 | -178.3 | 24.5 | -34 | 0 | 0 | 0 | 110.6 | G560 | P558-G560 PolarHBondContact O-N 2.99Š|
| 559 | Q | 47.4 | Very low | 43.3 | Very low | 190 Ų | 190 | 146.5 Ų | 146.5 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | -59.1 | 110.7 | -175.1 | -178 | 178.2 | -5 | 0 | 0 | 110.6 | G557 K561 | G557-Q559 PolarHBondContact O-N 2.8Å; Q559-K561 PolarHBondContact O-N 2.99Å | ||
| 560 | G | 48.6 | Very low | 42.7 | Very low | 68 Ų | 68 | 142.2 Ų | 142.2 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -55.8 | 122 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | P558 | P558-G560 PolarHBondContact O-N 2.99Š| ||
| 561 | K | 36 | Very low | 42.7 | Very low | 149 Ų | 149 | 140 Ų | 140 | 65% | 0.648 | 79% | 0.791 | S | S | * | * | trans | -60.9 | 142.1 | 176.7 | -77 | 159.7 | 170.1 | -82.8 | 0 | 109.9 | Q559 G563 E721 | Q559-K561 PolarHBondContact O-N 2.99Å; K561-G563 PolarHBondContact O-N 3.18Å; K561-E721 VanDerWaalsContact CD-OE1 3.3Å; K561-E721 WeakPolarHBondContact CD-OE1 3.37Å; K561-E721 WeakPolarHBondContact CE-OE1 3.5Å; K561-E721 WeakPolarHBondContact CE-OE2 3.42Å; K561-E721 IonicContact NZ-OE1 3.63Å; K561-E721 PolarHBondContact NZ-OE1 3.39Å; K561-E721 IonicContact NZ-OE2 2.66Å; K561-E721 PolarHBondContact NZ-OE2 2.83Å | ||
| 562 | R | 42.6 | Very low | 42.4 | Very low | 242 Ų | 242 | 139.1 Ų | 139.1 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | trans | -67.9 | 92.7 | -173.6 | -168.4 | -174.8 | -142 | 173.8 | 8.1 | 110.6 | ||||
| 563 | G | 45.6 | Very low | 42.3 | Very low | 68 Ų | 68 | 139.3 Ų | 139.3 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -56.2 | 137.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K561 | K561-G563 PolarHBondContact O-N 3.18Š| ||
| 564 | Y | 36.4 | Very low | 41.7 | Very low | 230 Ų | 230 | 133.4 Ų | 133.4 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -68.8 | 143.5 | 174.8 | -73 | -94.6 | 0 | 0 | 0 | 110.2 | G566 | Y564-G566 PolarHBondContact O-N 3.47Š| ||
| 565 | K | 37 | Very low | 41 | Very low | 203 Ų | 203 | 134.3 Ų | 134.3 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -71.8 | 99.4 | -177.2 | -170.5 | -172.8 | -179.4 | -169.5 | 0 | 110.1 | ||||
| 566 | G | 46.7 | Very low | 40.8 | Very low | 62 Ų | 62 | 134.1 Ų | 134.1 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 150.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y564 | Y564-G566 PolarHBondContact O-N 3.47Š|
| 567 | Q | 33.4 | Very low | 39.9 | Very low | 201 Ų | 201 | 139.2 Ų | 139.2 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 119.2 | 170.4 | -68.4 | 172.6 | -55.6 | 0 | 0 | 108.5 | ||
| 568 | E | 40.7 | Very low | 39.2 | Very low | 193 Ų | 193 | 139.4 Ų | 139.4 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 137.1 | 176.5 | -164.7 | 162.2 | -142.6 | 0 | 0 | 110.1 | ||
| 569 | G | 40 | Very low | 38.6 | Very low | 65 Ų | 65 | 140.2 Ų | 140.2 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 157.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | M571 | G569-M571 PolarHBondContact O-N 3.11Š|
| 570 | V | 31.6 | Very low | 38 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 93% | 0.933 | 80% | 0.799 | S | S | * | * | trans | -73.4 | 98.7 | 178 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 571 | M | 38.5 | Very low | 37.2 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 130.2 | 170.1 | -173.6 | 162.8 | 59.7 | 0 | 0 | 110.7 | G569 | G569-M571 PolarHBondContact O-N 3.11Š|
| 572 | G | 39.8 | Very low | 37 | Very low | 50 Ų | 50 | 141 Ų | 141 | 52% | 0.515 | 81% | 0.811 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 157 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | P574 | G572-P574 VanDerWaalsContact O-CD 3.28Å; G572-P574 WeakPolarHBondContact O-CD 3.41Å |
| 573 | P | 34.1 | Very low | 36.5 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 120.1 | -170.5 | 31.2 | -34.5 | 0 | 0 | 0 | 113.7 | ||
| 574 | P | 39.1 | Very low | 35.9 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 145.7 | 172.8 | -1.2 | 22.8 | 0 | 0 | 0 | 112.4 | G572 | G572-P574 VanDerWaalsContact O-CD 3.28Å; G572-P574 WeakPolarHBondContact O-CD 3.41Å |
| 575 | G | 34.1 | Very low | 35.7 | Very low | 79 Ų | 79 | 134.4 Ų | 134.4 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | trans | 73 | 117.6 | 149.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 576 | V | 38.4 | Very low | 35.9 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 71% | 0.709 | 80% | 0.8 | S | S | * | * | trans | -121.2 | 128.5 | 159.4 | 178.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 577 | Y | 35.1 | Very low | 35.5 | Very low | 235 Ų | 235 | 131.1 Ų | 131.1 | 92% | 0.922 | 80% | 0.804 | S | S | * | * | trans | 160.5 | 148 | 150.4 | -85 | -58.6 | 0 | 0 | 0 | 107.8 | ||||
| 578 | G | 34.4 | Very low | 35.5 | Very low | 67 Ų | 67 | 127.4 Ų | 127.4 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | cis | -146.8 | 172 | -2.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 579 | V | 31.3 | Very low | 35.3 | Very low | 145 Ų | 145 | 126.3 Ų | 126.3 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -120.8 | 116.8 | -170.8 | 179.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 580 | I | 34.5 | Very low | 35.2 | Very low | 179 Ų | 179 | 126.7 Ų | 126.7 | 92% | 0.918 | 81% | 0.805 | S | S | * | * | trans | -145.2 | 140.1 | 160.9 | -55.2 | 176.2 | 0 | 0 | 0 | 105.6 | ||||
| 581 | G | 31.5 | Very low | 35.4 | Very low | 61 Ų | 61 | 128.9 Ų | 128.9 | 63% | 0.629 | 81% | 0.805 | S | S | * | * | cis | -173.3 | 165.5 | -3.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | I583 | G581-I583 PolarHBondContact O-N 3.33Š| ||
| 582 | L | 31.7 | Very low | 35.5 | Very low | 183 Ų | 183 | 127.9 Ų | 127.9 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | trans | -74.1 | 120.9 | -173.1 | -75.6 | 155.4 | 0 | 0 | 0 | 113.3 | ||||
| 583 | I | 33.3 | Very low | 35.6 | Very low | 174 Ų | 174 | 128.8 Ų | 128.8 | 89% | 0.892 | 82% | 0.818 | S | S | * | * | trans | -135.3 | 139.7 | 153.4 | -58.5 | -179.8 | 0 | 0 | 0 | 105.5 | G581 | G581-I583 PolarHBondContact O-N 3.33Š| ||
| 584 | G | 32.9 | Very low | 35.6 | Very low | 58 Ų | 58 | 129.6 Ų | 129.6 | 60% | 0.598 | 82% | 0.82 | S | S | * | * | cis | 158.1 | 134.4 | 0.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | P586 | G584-P586 WeakPolarHBondContact O-CD 3.5Š| ||
| 585 | I | 30.8 | Very low | 35.7 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 126.5 | -170.9 | -46.8 | 173.7 | 0 | 0 | 0 | 109.4 | G587 | I585-G587 PolarHBondContact O-N 3.11Š|
| 586 | P | 43.1 | Very low | 36.2 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 119.9 | 178.6 | -25.4 | 35.7 | 0 | 0 | 0 | 112.7 | G584 | G584-P586 WeakPolarHBondContact O-CD 3.5Š|
| 587 | G | 38.2 | Very low | 36.4 | Very low | 71 Ų | 71 | 132.2 Ų | 132.2 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 157.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I585 | I585-G587 PolarHBondContact O-N 3.11Š|
| 588 | S | 33.2 | Very low | 36.6 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 147.7 | -173.7 | 49.2 | 0 | 0 | 0 | 0 | 116 | ||
| 589 | N | 35.6 | Very low | 37 | Very low | 171 Ų | 171 | 128 Ų | 128 | 91% | 0.914 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 155.3 | -179.1 | -54.5 | -6.5 | 0 | 0 | 0 | 116.7 | ||
| 590 | G | 38.8 | Very low | 37.5 | Very low | 73 Ų | 73 | 129.3 Ų | 129.3 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | trans | -163.7 | 83.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 591 | E | 35.7 | Very low | 38.1 | Very low | 199 Ų | 199 | 126.5 Ų | 126.5 | 93% | 0.93 | 82% | 0.82 | S | S | * | * | trans | 62 | 176.6 | 157.7 | -56.1 | -165.8 | 130.1 | 0 | 0 | 120.3 | ||||
| 592 | T | 40.7 | Very low | 38.9 | Very low | 148 Ų | 148 | 127 Ų | 127 | 91% | 0.908 | 83% | 0.825 | S | S | * | * | trans | -142.6 | 152.8 | -147.5 | 42.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 593 | G | 40.4 | Very low | 39.3 | Very low | 70 Ų | 70 | 126.5 Ų | 126.5 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | trans | 121.8 | 150 | 162.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 594 | V | 34.7 | Very low | 40 | Very low | 153 Ų | 153 | 124 Ų | 124 | 93% | 0.927 | 82% | 0.818 | S | S | * | * | cis | -150.9 | 165 | -9.3 | -150.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 595 | N | 40.8 | Very low | 40.9 | Very low | 166 Ų | 166 | 124.5 Ų | 124.5 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | trans | -69.5 | 149.3 | -178.3 | -86.2 | -14.2 | 0 | 0 | 0 | 115.6 | ||||
| 596 | G | 45.4 | Very low | 41.6 | Very low | 74 Ų | 74 | 125.6 Ų | 125.6 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | trans | -167.6 | 142.2 | 162 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 597 | T | 41.7 | Very low | 42 | Very low | 133 Ų | 133 | 125.6 Ų | 125.6 | 82% | 0.816 | 82% | 0.824 | S | S | * | * | trans | -137.3 | 167.1 | -166.2 | 50.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 598 | V | 40.7 | Very low | 42.7 | Very low | 151 Ų | 151 | 125.6 Ų | 125.6 | 92% | 0.915 | 82% | 0.824 | S | S | * | * | trans | 92.9 | 127 | 165.6 | -173.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 599 | G | 42.5 | Very low | 43.2 | Very low | 62 Ų | 62 | 126.2 Ų | 126.2 | 64% | 0.639 | 82% | 0.823 | S | S | * | * | trans | 119.2 | 106.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P601 | G599-P601 VanDerWaalsContact O-CD 3.3Å; G599-P601 WeakPolarHBondContact O-CD 3.18Å | ||
| 600 | D | 41.7 | Very low | 43.9 | Very low | 173 Ų | 173 | 125.4 Ų | 125.4 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 118.1 | 175.2 | -66 | -57 | 0 | 0 | 0 | 111.4 | ||
| 601 | P | 46.8 | Very low | 44.6 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 160.1 | 163.4 | 2.5 | 21.2 | 0 | 0 | 0 | 110.2 | G599 | G599-P601 VanDerWaalsContact O-CD 3.3Å; G599-P601 WeakPolarHBondContact O-CD 3.18Å |
| 602 | G | 47.4 | Very low | 45 | Very low | 72 Ų | 72 | 127.3 Ų | 127.3 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 156.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 603 | L | 41.4 | Very low | 45.6 | Very low | 173 Ų | 173 | 125.8 Ų | 125.8 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 127.5 | 176 | -71.5 | 169.1 | 0 | 0 | 0 | 111.1 | G605 | L603-G605 PolarHBondContact O-N 3.12Š|
| 604 | P | 48 | Very low | 46.2 | Very low | 122 Ų | 122 | 125.8 Ų | 125.8 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 138.8 | 168.5 | -24.4 | 34.4 | 0 | 0 | 0 | 110.7 | ||
| 605 | G | 50.8 | Low | 46.5 | Very low | 67 Ų | 67 | 126.9 Ų | 126.9 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 146.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L603 P607 | L603-G605 PolarHBondContact O-N 3.12Å; G605-P607 WeakPolarHBondContact O-CD 3.5Å |
| 606 | Q | 45.8 | Very low | 46.8 | Very low | 193 Ų | 193 | 130.3 Ų | 130.3 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 126.6 | 178.7 | -73.9 | -174 | -13.4 | 0 | 0 | 109.7 | G608 | Q606-G608 PolarHBondContact O-N 2.8Å; Q606-G608 VanDerWaalsContact O-N 3.16Å |
| 607 | P | 50.9 | Low | 47.2 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 125.2 | 171.9 | -26.4 | 35 | 0 | 0 | 0 | 109.6 | G605 T609 | G605-P607 WeakPolarHBondContact O-CD 3.5Å; P607-T609 PolarHBondContact O-N 3.44Å |
| 608 | G | 52.9 | Low | 47.4 | Very low | 71 Ų | 71 | 132.2 Ų | 132.2 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -54 | 131.4 | 175 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q606 D610 | Q606-G608 PolarHBondContact O-N 2.8Å; Q606-G608 VanDerWaalsContact O-N 3.16Å; G608-D610 PolarHBondContact O-N 3.39Å; G608-D610 VanDerWaalsContact O-N 3.1Å |
| 609 | T | 44.3 | Very low | 48 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 119.9 | -172.4 | 54.3 | 0 | 0 | 0 | 0 | 110.6 | P607 G611 | P607-T609 PolarHBondContact O-N 3.44Å; T609-G611 PolarHBondContact O-N 3.41Å; T609-G611 VanDerWaalsContact O-N 3.09Å |
| 610 | D | 51 | Low | 48.4 | Very low | 154 Ų | 154 | 131 Ų | 131 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 120.6 | 175.2 | -80 | -43.4 | 0 | 0 | 0 | 109.9 | G608 R612 | G608-D610 PolarHBondContact O-N 3.39Å; G608-D610 VanDerWaalsContact O-N 3.1Å; D610-R612 PolarHBondContact O-N 2.89Å; D610-R612 VanDerWaalsContact O-N 3.13Å |
| 611 | G | 52 | Low | 48.6 | Very low | 70 Ų | 70 | 131.1 Ų | 131.1 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 122.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | T609 P613 | T609-G611 PolarHBondContact O-N 3.41Å; T609-G611 VanDerWaalsContact O-N 3.09Å; G611-P613 VanDerWaalsContact O-N 3.08Å |
| 612 | R | 44.5 | Very low | 49 | Very low | 242 Ų | 242 | 137.2 Ų | 137.2 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | trans | -36.3 | 116.6 | -172.9 | -86.9 | -174.1 | 171.4 | -175.2 | -1.4 | 110.8 | D610 G614 | D610-R612 PolarHBondContact O-N 2.89Å; D610-R612 VanDerWaalsContact O-N 3.13Å; R612-G614 PolarHBondContact O-N 3.14Å; R612-G614 VanDerWaalsContact O-N 3.07Å | ||
| 613 | P | 54 | Low | 49.4 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -50.4 | 121.9 | 176 | -29.8 | 35.8 | 0 | 0 | 0 | 109.8 | G611 L615 | G611-P613 VanDerWaalsContact O-N 3.08Å; P613-L615 PolarHBondContact O-N 3.08Å | ||
| 614 | G | 53 | Low | 49.9 | Very low | 71 Ų | 71 | 133.7 Ų | 133.7 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | -52.3 | 134.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | R612 R616 | R612-G614 PolarHBondContact O-N 3.14Å; R612-G614 VanDerWaalsContact O-N 3.07Å; G614-R616 PolarHBondContact O-N 2.78Å | ||
| 615 | L | 41.6 | Very low | 50.4 | Low | 176 Ų | 176 | 133.8 Ų | 133.8 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -47.4 | 106.9 | -171.8 | -76.3 | 171.8 | 0 | 0 | 0 | 110.3 | P613 G617 | P613-L615 PolarHBondContact O-N 3.08Å; L615-G617 PolarHBondContact O-N 2.97Å | ||
| 616 | R | 47.3 | Very low | 50.2 | Low | 237 Ų | 237 | 133.9 Ų | 133.9 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | trans | -57.7 | 112.3 | -179.5 | -175.5 | 178.2 | -174.6 | 173.4 | 3.7 | 107.3 | G614 Q618 | G614-R616 PolarHBondContact O-N 2.78Å; R616-Q618 PolarHBondContact O-N 3.49Å | ||
| 617 | G | 53.7 | Low | 50 | Low | 61 Ų | 61 | 132.6 Ų | 132.6 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 134.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L615 | L615-G617 PolarHBondContact O-N 2.97Š|
| 618 | Q | 44.3 | Very low | 49.8 | Very low | 186 Ų | 186 | 132.1 Ų | 132.1 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -50 | 128.2 | -176.9 | -72.8 | -175.8 | -12.1 | 0 | 0 | 109.3 | R616 G620 | R616-Q618 PolarHBondContact O-N 3.49Å; Q618-G620 PolarHBondContact O-N 3.27Å |
| 619 | P | 53.8 | Low | 49.5 | Very low | 117 Ų | 117 | 132 Ų | 132 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 117.5 | 170.8 | -25 | 34.4 | 0 | 0 | 0 | 108.3 | L621 | P619-L621 PolarHBondContact O-N 3.04Š|
| 620 | G | 50.9 | Low | 48.9 | Very low | 72 Ų | 72 | 132.4 Ų | 132.4 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 131.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q618 R622 | Q618-G620 PolarHBondContact O-N 3.27Å; G620-R622 PolarHBondContact O-N 2.9Å |
| 621 | L | 45.6 | Very low | 48.3 | Very low | 174 Ų | 174 | 131.4 Ų | 131.4 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | trans | -49.1 | 114.3 | -174.8 | -74.2 | 171.3 | 0 | 0 | 0 | 109.6 | P619 G623 | P619-L621 PolarHBondContact O-N 3.04Å; L621-G623 PolarHBondContact O-N 3.39Å | ||
| 622 | R | 56.1 | Low | 47.6 | Very low | 247 Ų | 247 | 136.9 Ų | 136.9 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | trans | -55.5 | 113.7 | 175.3 | -178.3 | 179.5 | -177 | 176.4 | 2.3 | 107 | G620 | G620-R622 PolarHBondContact O-N 2.9Š| ||
| 623 | G | 54.6 | Low | 47.3 | Very low | 53 Ų | 53 | 131.3 Ų | 131.3 | 55% | 0.546 | 79% | 0.787 | S | S | . | * | P | Polyproline II helix | trans | -50.7 | 141.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L621 | L621-G623 PolarHBondContact O-N 3.39Š|
| 624 | P | 51.7 | Low | 46.4 | Very low | 118 Ų | 118 | 134 Ų | 134 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 138.3 | -178.8 | 24 | -33.7 | 0 | 0 | 0 | 109.4 | G626 | P624-G626 PolarHBondContact O-N 3.4Š|
| 625 | P | 59.5 | Low | 45.9 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 131.3 | 172.8 | -26.5 | 34.8 | 0 | 0 | 0 | 109.9 | L627 | P625-L627 PolarHBondContact O-N 2.89Š|
| 626 | G | 46.1 | Very low | 45.6 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 131.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P624 P628 | P624-G626 PolarHBondContact O-N 3.4Å; G626-P628 WeakPolarHBondContact O-CD 3.26Å |
| 627 | L | 42.2 | Very low | 45.3 | Very low | 166 Ų | 166 | 128.4 Ų | 128.4 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 124.5 | -179.6 | -77.2 | 164.9 | 0 | 0 | 0 | 109.9 | P625 G629 | P625-L627 PolarHBondContact O-N 2.89Å; L627-G629 PolarHBondContact O-N 3.43Å |
| 628 | P | 47.2 | Very low | 44.5 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 132.3 | 169.1 | -25.7 | 35.3 | 0 | 0 | 0 | 109.9 | G626 V630 | G626-P628 WeakPolarHBondContact O-CD 3.26Å; P628-V630 PolarHBondContact O-N 3.25Å |
| 629 | G | 45.3 | Very low | 44.3 | Very low | 67 Ų | 67 | 128.5 Ų | 128.5 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 128.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L627 V631 | L627-G629 PolarHBondContact O-N 3.43Å; G629-V631 PolarHBondContact O-N 3.09Å |
| 630 | V | 32.6 | Very low | 43.7 | Very low | 144 Ų | 144 | 127 Ų | 127 | 87% | 0.873 | 80% | 0.796 | S | S | * | * | trans | -73.9 | 98.5 | -179.9 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | P628 | P628-V630 PolarHBondContact O-N 3.25Š| ||
| 631 | V | 39.1 | Very low | 43.2 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | -115.8 | 101.3 | 176.6 | -171.2 | 0 | 0 | 0 | 0 | 109.5 | G629 | G629-V631 PolarHBondContact O-N 3.09Š| ||
| 632 | K | 37.2 | Very low | 42.9 | Very low | 185 Ų | 185 | 125.8 Ų | 125.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -60 | 149.6 | 154 | -58.7 | 173.8 | 174.6 | 175.9 | 0 | 106.9 | ||||
| 633 | V | 37.3 | Very low | 42.2 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 76% | 0.758 | 80% | 0.796 | S | S | * | * | cis | -151.7 | 175.5 | 45 | 177.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 634 | Q | 35.9 | Very low | 41.7 | Very low | 173 Ų | 173 | 125.6 Ų | 125.6 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | -49.3 | 152.5 | 166 | -63.7 | 149.2 | -42.3 | 0 | 0 | 113.3 | ||||
| 635 | P | 42.1 | Very low | 41.2 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | trans | -86.7 | 142 | -176.7 | 34 | -35.2 | 0 | 0 | 0 | 114.2 | ||||
| 636 | S | 36 | Very low | 40.5 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -172.5 | 140.2 | 135.3 | -82.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 637 | T | 40 | Very low | 40.4 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | trans | 64.5 | 87.4 | 160.5 | 21.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 638 | I | 37.2 | Very low | 40.3 | Very low | 173 Ų | 173 | 129.6 Ų | 129.6 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | 38.7 | 122.3 | 120.7 | -54.1 | 168.3 | 0 | 0 | 0 | 119.2 | |||||
| 639 | G | 40.3 | Very low | 39.8 | Very low | 76 Ų | 76 | 131.8 Ų | 131.8 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | trans | 161.2 | 117.5 | 149.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 640 | G | 39.9 | Very low | 40 | Very low | 85 Ų | 85 | 134.5 Ų | 134.5 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | trans | 108.4 | 127.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 641 | T | 40.8 | Very low | 40.4 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | trans | -121.8 | 133.2 | 179.2 | 47.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 642 | G | 39.8 | Very low | 40.5 | Very low | 75 Ų | 75 | 130.3 Ų | 130.3 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | 105.5 | 120.9 | 151.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 643 | L | 40.9 | Very low | 41.2 | Very low | 175 Ų | 175 | 132.5 Ų | 132.5 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | -164.7 | 146 | 105.9 | -96.4 | 171.1 | 0 | 0 | 0 | 109.5 | |||||
| 644 | P | 44 | Very low | 42 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | trans | -107.3 | 127 | -173.6 | 36.4 | -28.8 | 0 | 0 | 0 | 114.9 | ||||
| 645 | G | 41.6 | Very low | 42.5 | Very low | 78 Ų | 78 | 127.2 Ų | 127.2 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 92.2 | 139.7 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 646 | D | 44.7 | Very low | 43.1 | Very low | 179 Ų | 179 | 128 Ų | 128 | 96% | 0.957 | 82% | 0.821 | S | S | * | * | trans | -132.4 | 148.3 | 150.7 | -119.2 | -37.6 | 0 | 0 | 0 | 108 | ||||
| 647 | R | 43.5 | Very low | 43.9 | Very low | 242 Ų | 242 | 125.4 Ų | 125.4 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | trans | -138.7 | 103.1 | -164.9 | -177.8 | -174 | 178.4 | 179.2 | 0.3 | 113.1 | ||||
| 648 | G | 41 | Very low | 44 | Very low | 62 Ų | 62 | 128.1 Ų | 128.1 | 64% | 0.639 | 82% | 0.817 | S | S | * | * | trans | 178.7 | 146.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 649 | N | 37 | Very low | 45.2 | Very low | 162 Ų | 162 | 126 Ų | 126 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | cis | -124 | 145.5 | 3.2 | -70.6 | -31 | 0 | 0 | 0 | 111.3 | ||||
| 650 | P | 48.5 | Very low | 45.9 | Very low | 124 Ų | 124 | 125.2 Ų | 125.2 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | trans | -78.3 | 130.1 | 170.8 | -7.4 | 24.9 | 0 | 0 | 0 | 112 | ||||
| 651 | G | 41.2 | Very low | 46.5 | Very low | 68 Ų | 68 | 127.5 Ų | 127.5 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | 74.9 | 117.7 | 150 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 652 | S | 42.6 | Very low | 47.1 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | -94.9 | 134.6 | 123.3 | 50.2 | 0 | 0 | 0 | 0 | 107.7 | |||
| 653 | Y | 51.5 | Low | 47.5 | Very low | 230 Ų | 230 | 129.9 Ų | 129.9 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 137.1 | 172.9 | -77.1 | -103.9 | 0 | 0 | 0 | 108.7 | ||
| 654 | G | 52.7 | Low | 47.7 | Very low | 59 Ų | 59 | 127.1 Ų | 127.1 | 61% | 0.608 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62 | 150.3 | 168 | 0 | 0 | 0 | 0 | 0 | 110.2 | T656 | G654-T656 PolarHBondContact O-N 2.88Š|
| 655 | P | 47.6 | Very low | 47.8 | Very low | 129 Ų | 129 | 126 Ų | 126 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 127.2 | 172.9 | 25.3 | -33.4 | 0 | 0 | 0 | 109 | G657 | P655-G657 PolarHBondContact O-N 2.61Š|
| 656 | T | 53.4 | Low | 48 | Very low | 138 Ų | 138 | 125.7 Ų | 125.7 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 123 | 175.9 | -52.1 | 0 | 0 | 0 | 0 | 108.7 | G654 | G654-T656 PolarHBondContact O-N 2.88Š|
| 657 | G | 53.2 | Low | 47.7 | Very low | 61 Ų | 61 | 126.4 Ų | 126.4 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 142.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P655 | P655-G657 PolarHBondContact O-N 2.61Š|
| 658 | E | 43.4 | Very low | 47.8 | Very low | 186 Ų | 186 | 126.4 Ų | 126.4 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 130.7 | 176.4 | -66 | -166.9 | 132.2 | 0 | 0 | 109.6 | G660 | E658-G660 PolarHBondContact O-N 3Š|
| 659 | P | 61.6 | Low | 47.9 | Very low | 127 Ų | 127 | 126.2 Ų | 126.2 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 119 | 175.5 | -25.4 | 34.7 | 0 | 0 | 0 | 109.6 | ||
| 660 | G | 54.1 | Low | 48.2 | Very low | 61 Ų | 61 | 126.6 Ų | 126.6 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 140.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | E658 K662 | E658-G660 PolarHBondContact O-N 3Å; G660-K662 PolarHBondContact O-N 3.02Å |
| 661 | P | 52.9 | Low | 48.1 | Very low | 132 Ų | 132 | 127.3 Ų | 127.3 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 118.6 | -171.8 | 20.1 | -32.4 | 0 | 0 | 0 | 110.2 | G663 | P661-G663 PolarHBondContact O-N 3.4Å; P661-G663 VanDerWaalsContact O-N 3.13Å |
| 662 | K | 53.5 | Low | 48.6 | Very low | 205 Ų | 205 | 127.2 Ų | 127.2 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 119.4 | -175.6 | 177.2 | -178.4 | 176.5 | -176.9 | 0 | 109.3 | G660 S664 | G660-K662 PolarHBondContact O-N 3.02Å; K662-S664 PolarHBondContact O-N 2.89Å |
| 663 | G | 49.7 | Very low | 48.6 | Very low | 66 Ų | 66 | 128.9 Ų | 128.9 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 128 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P661 A665 | P661-G663 PolarHBondContact O-N 3.4Å; P661-G663 VanDerWaalsContact O-N 3.13Å; G663-A665 PolarHBondContact O-N 3.2Å |
| 664 | S | 43.9 | Very low | 48.9 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 129.3 | 167.9 | 47.4 | 0 | 0 | 0 | 0 | 108.9 | K662 G666 | K662-S664 PolarHBondContact O-N 2.89Å; S664-G666 PolarHBondContact O-N 3.16Å |
| 665 | A | 47 | Very low | 48.9 | Very low | 99 Ų | 99 | 124.4 Ų | 124.4 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 135 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | G663 | G663-A665 PolarHBondContact O-N 3.2Š|
| 666 | G | 45 | Very low | 48.9 | Very low | 72 Ų | 72 | 125.7 Ų | 125.7 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 126.5 | 168 | 0 | 0 | 0 | 0 | 0 | 109.8 | S664 | S664-G666 PolarHBondContact O-N 3.16Š|
| 667 | E | 38.4 | Very low | 49 | Very low | 194 Ų | 194 | 125.1 Ų | 125.1 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | 172.6 | 109.9 | 135.7 | -98.8 | -171.6 | 155.4 | 0 | 0 | 111.8 | ||||
| 668 | R | 46.5 | Very low | 49.1 | Very low | 241 Ų | 241 | 125.7 Ų | 125.7 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | -161.7 | 133.1 | 122.8 | -167.5 | 163.3 | -64.7 | -162.2 | 0.5 | 109.6 | |||||
| 669 | G | 41.7 | Very low | 49.2 | Very low | 58 Ų | 58 | 124.8 Ų | 124.8 | 60% | 0.598 | 80% | 0.798 | S | S | * | * | trans | -78.6 | 148.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 670 | I | 43.6 | Very low | 48.5 | Very low | 170 Ų | 170 | 130.1 Ų | 130.1 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | 48.1 | 106.3 | 158.7 | 54.6 | 168.5 | 0 | 0 | 0 | 119.3 | ||||
| 671 | T | 46.9 | Very low | 48.5 | Very low | 140 Ų | 140 | 130.3 Ų | 130.3 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | -138.2 | 132.8 | 126 | -64 | 0 | 0 | 0 | 0 | 106 | |||||
| 672 | G | 50.9 | Low | 48.1 | Very low | 66 Ų | 66 | 132.3 Ų | 132.3 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 141.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 673 | D | 43.8 | Very low | 48 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 142.9 | 174.5 | -67.2 | -65.6 | 0 | 0 | 0 | 111 | G675 | D673-G675 PolarHBondContact O-N 2.82Š|
| 674 | P | 56.9 | Low | 48.5 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 132 | 174.3 | -22 | 33.5 | 0 | 0 | 0 | 110.8 | ||
| 675 | G | 53.3 | Low | 49.1 | Very low | 74 Ų | 74 | 128 Ų | 128 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 141.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D673 | D673-G675 PolarHBondContact O-N 2.82Š|
| 676 | D | 46.4 | Very low | 49.6 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 140.3 | -178.1 | -70.7 | -67.2 | 0 | 0 | 0 | 112.2 | G678 | D676-G678 PolarHBondContact O-N 3.19Š|
| 677 | P | 57.2 | Low | 50.4 | Low | 127 Ų | 127 | 129 Ų | 129 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -57.8 | 114.9 | 176.3 | -24.1 | 34.3 | 0 | 0 | 0 | 110.9 | D679 | P677-D679 PolarHBondContact O-N 3.15Š| ||
| 678 | G | 54.8 | Low | 51.2 | Low | 72 Ų | 72 | 125.4 Ų | 125.4 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -52.7 | 137.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D676 R680 | D676-G678 PolarHBondContact O-N 3.19Å; G678-R680 PolarHBondContact O-N 3.24Å | ||
| 679 | D | 44.3 | Very low | 51.6 | Low | 167 Ų | 167 | 120 Ų | 120 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -47.2 | 128.5 | -173.5 | -87.6 | -52.4 | 0 | 0 | 0 | 112.4 | P677 G681 | P677-D679 PolarHBondContact O-N 3.15Å; D679-G681 PolarHBondContact O-N 3.05Å | ||
| 680 | R | 48.6 | Very low | 52.5 | Low | 240 Ų | 240 | 120.5 Ų | 120.5 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -63.9 | 97.9 | -177.1 | -177.8 | 180 | -178 | 160.7 | 1.8 | 109.4 | G678 L682 | G678-R680 PolarHBondContact O-N 3.24Å; R680-L682 PolarHBondContact O-N 3.35Å | ||
| 681 | G | 53.9 | Low | 52.9 | Low | 65 Ų | 65 | 118.5 Ų | 118.5 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | trans | -45.6 | 129.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112 | D679 S683 | D679-G681 PolarHBondContact O-N 3.05Å; G681-S683 PolarHBondContact O-N 2.94Å | ||
| 682 | L | 44 | Very low | 53.3 | Low | 174 Ų | 174 | 119.6 Ų | 119.6 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -54.5 | 123.1 | 178 | -69.3 | 169.9 | 0 | 0 | 0 | 108.7 | R680 G684 | R680-L682 PolarHBondContact O-N 3.35Å; L682-G684 PolarHBondContact O-N 3.14Å | ||
| 683 | S | 51.4 | Low | 53.2 | Low | 117 Ų | 117 | 120.1 Ų | 120.1 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -56.8 | 114.9 | 178.9 | 50.6 | 0 | 0 | 0 | 0 | 109.2 | G681 | G681-S683 PolarHBondContact O-N 2.94Š| ||
| 684 | G | 60.3 | Low | 53.1 | Low | 58 Ų | 58 | 121.9 Ų | 121.9 | 60% | 0.598 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 153.1 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L682 | L682-G684 PolarHBondContact O-N 3.14Š|
| 685 | P | 57.2 | Low | 53 | Low | 122 Ų | 122 | 122.4 Ų | 122.4 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 140.4 | 174.8 | 25.9 | -34.2 | 0 | 0 | 0 | 109.6 | G687 | P685-G687 PolarHBondContact O-N 2.8Š|
| 686 | P | 57.2 | Low | 52.7 | Low | 128 Ų | 128 | 121.9 Ų | 121.9 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 127.1 | 173.4 | -26.2 | 34.9 | 0 | 0 | 0 | 110.2 | ||
| 687 | G | 60.2 | Low | 52.7 | Low | 63 Ų | 63 | 120.5 Ų | 120.5 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 143.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P685 | P685-G687 PolarHBondContact O-N 2.8Š|
| 688 | P | 56.9 | Low | 52.1 | Low | 120 Ų | 120 | 122 Ų | 122 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 144.8 | 171.6 | 27.7 | -34.3 | 0 | 0 | 0 | 109.7 | G690 | P688-G690 PolarHBondContact O-N 3.11Š|
| 689 | P | 54.5 | Low | 51.5 | Low | 128 Ų | 128 | 121.9 Ų | 121.9 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -54 | 134.2 | 170.9 | -25.2 | 34.9 | 0 | 0 | 0 | 110.8 | ||
| 690 | G | 60.8 | Low | 51.3 | Low | 67 Ų | 67 | 123 Ų | 123 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 143.7 | -180 | 0 | 0 | 0 | 0 | 0 | 111.9 | P688 | P688-G690 PolarHBondContact O-N 3.11Š|
| 691 | P | 52.2 | Low | 51.4 | Low | 128 Ų | 128 | 120.1 Ų | 120.1 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70 | 149 | 171.2 | 30.9 | -34.6 | 0 | 0 | 0 | 111 | ||
| 692 | D | 54 | Low | 51.1 | Low | 164 Ų | 164 | 120 Ų | 120 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 142.7 | 176.9 | -72.2 | -54.1 | 0 | 0 | 0 | 112.4 | ||
| 693 | G | 48.9 | Very low | 51.3 | Low | 76 Ų | 76 | 117.8 Ų | 117.8 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 132.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 694 | Q | 41.3 | Very low | 51.1 | Low | 193 Ų | 193 | 120.3 Ų | 120.3 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 135.8 | 173.2 | -69.2 | 177.4 | -31.3 | 0 | 0 | 111.9 | ||
| 695 | P | 56.5 | Low | 50.5 | Low | 133 Ų | 133 | 120.7 Ų | 120.7 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 136.2 | 166.6 | -6.3 | 24.8 | 0 | 0 | 0 | 112.4 | ||
| 696 | G | 46.6 | Very low | 49.7 | Very low | 63 Ų | 63 | 120 Ų | 120 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | 113.5 | 28.2 | 121 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 697 | V | 46.6 | Very low | 49.6 | Very low | 125 Ų | 125 | 119.9 Ų | 119.9 | 76% | 0.758 | 79% | 0.793 | S | S | * | * | trans | 57.5 | 160.1 | 143.2 | -55.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 698 | D | 44.6 | Very low | 49.2 | Very low | 158 Ų | 158 | 119.9 Ų | 119.9 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | 61 | 140.6 | 163 | -47.1 | -29 | 0 | 0 | 0 | 118.7 | ||||
| 699 | G | 42.1 | Very low | 48.5 | Very low | 70 Ų | 70 | 122 Ų | 122 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | cis | 160.8 | 154.7 | -1.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 700 | E | 40.5 | Very low | 48.3 | Very low | 191 Ų | 191 | 123.8 Ų | 123.8 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | cis | -152.5 | 145.7 | -4.2 | -60.8 | -178 | 80.8 | 0 | 0 | 108.5 | ||||
| 701 | D | 49.2 | Very low | 48.2 | Very low | 180 Ų | 180 | 123.2 Ų | 123.2 | 96% | 0.963 | 80% | 0.795 | S | S | * | * | trans | -166 | 156.3 | 161.4 | -115.4 | -21.6 | 0 | 0 | 0 | 111.8 | ||||
| 702 | G | 48.6 | Very low | 48.1 | Very low | 62 Ų | 62 | 122.7 Ų | 122.7 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | trans | -174.1 | -173.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 703 | P | 48.1 | Very low | 48.4 | Very low | 128 Ų | 128 | 120.8 Ų | 120.8 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | cis | -128.1 | 97.6 | 4.6 | 35.8 | -16.2 | 0 | 0 | 0 | 112.4 | G705 | P703-G705 PolarHBondContact O-N 3.4Š| ||
| 704 | D | 47.7 | Very low | 48.8 | Very low | 170 Ų | 170 | 120.1 Ų | 120.1 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 116.5 | 176.8 | -79.1 | -26.9 | 0 | 0 | 0 | 111.2 | ||
| 705 | G | 47.5 | Very low | 49.3 | Very low | 65 Ų | 65 | 116.5 Ų | 116.5 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 143.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | P703 | P703-G705 PolarHBondContact O-N 3.4Š|
| 706 | S | 40.6 | Very low | 49.5 | Very low | 108 Ų | 108 | 116.1 Ų | 116.1 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 124.1 | 177.5 | 52.8 | 0 | 0 | 0 | 0 | 110.7 | G708 | S706-G708 PolarHBondContact O-N 3.25Š|
| 707 | P | 54.9 | Low | 49.8 | Very low | 126 Ų | 126 | 116 Ų | 116 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 118.3 | 166.1 | -25.2 | 34.5 | 0 | 0 | 0 | 107.7 | D709 | P707-D709 PolarHBondContact O-N 2.88Š|
| 708 | G | 50.9 | Low | 49.9 | Very low | 63 Ų | 63 | 116.1 Ų | 116.1 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 137.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | S706 D710 | S706-G708 PolarHBondContact O-N 3.25Å; G708-D710 PolarHBondContact O-N 2.76Å; G708-D710 VanDerWaalsContact O-N 3.13Å |
| 709 | D | 42.9 | Very low | 50.1 | Low | 164 Ų | 164 | 118 Ų | 118 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -41.5 | 121.1 | -174.2 | -63.3 | -70.7 | 0 | 0 | 0 | 110.8 | P707 G711 | P707-D709 PolarHBondContact O-N 2.88Å; D709-G711 PolarHBondContact O-N 2.76Å | ||
| 710 | D | 50.6 | Low | 50.4 | Low | 165 Ų | 165 | 117.2 Ų | 117.2 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | trans | -53 | 106.8 | -176.7 | -96.4 | -45.3 | 0 | 0 | 0 | 108.9 | G708 | G708-D710 PolarHBondContact O-N 2.76Å; G708-D710 VanDerWaalsContact O-N 3.13Å | ||
| 711 | G | 57.2 | Low | 50.5 | Low | 55 Ų | 55 | 114.3 Ų | 114.3 | 57% | 0.567 | 75% | 0.753 | S | S | * | * | trans | -55 | 132.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | D709 P713 | D709-G711 PolarHBondContact O-N 2.76Å; G711-P713 VanDerWaalsContact O-N 3.13Å | ||
| 712 | P | 50.9 | Low | 50.8 | Low | 117 Ų | 117 | 111.5 Ų | 111.5 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | trans | -50.2 | 125 | -169 | 19.3 | -32.9 | 0 | 0 | 0 | 109.3 | G714 | P712-G714 PolarHBondContact O-N 3.06Š| ||
| 713 | P | 60.8 | Low | 51 | Low | 125 Ų | 125 | 111.3 Ų | 111.3 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | trans | -45.2 | 116.2 | -165.4 | -34.5 | 35.6 | 0 | 0 | 0 | 111.5 | G711 | G711-P713 VanDerWaalsContact O-N 3.13Š| ||
| 714 | G | 55.8 | Low | 50.9 | Low | 61 Ų | 61 | 111.5 Ų | 111.5 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | trans | -50.3 | 132 | -169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | P712 | P712-G714 PolarHBondContact O-N 3.06Š| ||
| 715 | P | 52.3 | Low | 50.9 | Low | 117 Ų | 117 | 108.2 Ų | 108.2 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | trans | -51.9 | 129.9 | -171.1 | 21 | -33.3 | 0 | 0 | 0 | 108.9 | G717 | P715-G717 PolarHBondContact O-N 3.18Š| ||
| 716 | P | 60.4 | Low | 50.9 | Low | 126 Ų | 126 | 108.1 Ų | 108.1 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -45.5 | 116.4 | -170.2 | -32.9 | 35.7 | 0 | 0 | 0 | 110.8 | ||||
| 717 | G | 53 | Low | 50.9 | Low | 61 Ų | 61 | 112.7 Ų | 112.7 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 134.1 | -168 | 0 | 0 | 0 | 0 | 0 | 110.1 | P715 F719 | P715-G717 PolarHBondContact O-N 3.18Å; G717-F719 PolarHBondContact O-N 2.88Å |
| 718 | P | 49.6 | Very low | 50.5 | Low | 127 Ų | 127 | 116 Ų | 116 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 118 | -172.3 | 21.9 | -33.5 | 0 | 0 | 0 | 108.4 | G720 | P718-G720 PolarHBondContact O-N 3.32Š|
| 719 | F | 48.7 | Very low | 50.4 | Low | 197 Ų | 197 | 115.6 Ų | 115.6 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 116.5 | -168.1 | -161.5 | -80.4 | 0 | 0 | 0 | 108 | G717 E721 | G717-F719 PolarHBondContact O-N 2.88Å; F719-E721 PolarHBondContact O-N 3.41Å |
| 720 | G | 48.4 | Very low | 50.3 | Low | 54 Ų | 54 | 114.2 Ų | 114.2 | 56% | 0.557 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 131 | -168.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | P718 P722 | P718-G720 PolarHBondContact O-N 3.32Å; G720-P722 WeakPolarHBondContact O-CD 3.47Å; G720-P722 VanDerWaalsContact O-N 3.12Å |
| 721 | E | 42.4 | Very low | 50.3 | Low | 130 Ų | 130 | 115.5 Ų | 115.5 | 61% | 0.607 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 126.5 | 172.6 | -83.1 | -174.4 | 174.8 | 0 | 0 | 107.9 | K561 F719 G723 | K561-E721 VanDerWaalsContact CD-OE1 3.3Å; K561-E721 WeakPolarHBondContact CD-OE1 3.37Å; K561-E721 WeakPolarHBondContact CE-OE1 3.5Å; K561-E721 WeakPolarHBondContact CE-OE2 3.42Å; K561-E721 IonicContact NZ-OE1 3.63Å; K561-E721 PolarHBondContact NZ-OE1 3.39Å; K561-E721 IonicContact NZ-OE2 2.66Å; K561-E721 PolarHBondContact NZ-OE2 2.83Å; F719-E721 PolarHBondContact O-N 3.41Å; E721-G723 PolarHBondContact O-N 2.88Å |
| 722 | P | 55.9 | Low | 50.1 | Low | 121 Ų | 121 | 115.6 Ų | 115.6 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | trans | -51.6 | 114.2 | 173 | -27.4 | 35.6 | 0 | 0 | 0 | 108 | G720 | G720-P722 WeakPolarHBondContact O-CD 3.47Å; G720-P722 VanDerWaalsContact O-N 3.12Å | ||
| 723 | G | 52.4 | Low | 49.6 | Very low | 58 Ų | 58 | 116.5 Ų | 116.5 | 60% | 0.598 | 76% | 0.758 | S | S | * | * | trans | -53.8 | 144.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | E721 A725 | E721-G723 PolarHBondContact O-N 2.88Å; G723-A725 PolarHBondContact O-N 3.2Å | ||
| 724 | P | 46.4 | Very low | 49 | Very low | 131 Ų | 131 | 116.5 Ų | 116.5 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | trans | -51.6 | 117.3 | -177.8 | 22.4 | -33.5 | 0 | 0 | 0 | 108.4 | G726 | P724-G726 PolarHBondContact O-N 2.85Š| ||
| 725 | A | 47.4 | Very low | 48.4 | Very low | 101 Ų | 101 | 117 Ų | 117 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | -58.6 | 112.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | G723 | G723-A725 PolarHBondContact O-N 3.2Š| ||
| 726 | G | 48.6 | Very low | 47.6 | Very low | 64 Ų | 64 | 118.9 Ų | 118.9 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | trans | -59 | 152.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P724 Q728 | P724-G726 PolarHBondContact O-N 2.85Å; G726-Q728 VanDerWaalsContact C-N 3.26Å; G726-Q728 PolarHBondContact O-N 3.27Å | ||
| 727 | E | 38.9 | Very low | 46.6 | Very low | 203 Ų | 203 | 122.7 Ų | 122.7 | 95% | 0.949 | 77% | 0.773 | S | S | * | * | trans | -62.5 | 86.2 | 176.7 | -63.7 | -172.1 | 134.4 | 0 | 0 | 110.3 | G729 | E727-G729 PolarHBondContact O-N 3.38Š| ||
| 728 | Q | 46.6 | Very low | 46.2 | Very low | 195 Ų | 195 | 123.2 Ų | 123.2 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | trans | -73.1 | 113.9 | 180 | -168.9 | 165.6 | 0.3 | 0 | 0 | 108.6 | G726 | G726-Q728 VanDerWaalsContact C-N 3.26Å; G726-Q728 PolarHBondContact O-N 3.27Å | ||
| 729 | G | 49.1 | Very low | 45.6 | Very low | 55 Ų | 55 | 121.8 Ų | 121.8 | 57% | 0.567 | 78% | 0.777 | S | S | * | * | trans | -63.9 | 175.2 | -164.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | E727 Q731 | E727-G729 PolarHBondContact O-N 3.38Å; G729-Q731 PolarHBondContact O-N 3.4Å | ||
| 730 | P | 41 | Very low | 45.4 | Very low | 135 Ų | 135 | 121.3 Ų | 121.3 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 137.1 | -171.6 | 23.2 | -34.4 | 0 | 0 | 0 | 113 | G732 | P730-G732 PolarHBondContact O-N 3.24Š|
| 731 | Q | 50.8 | Low | 45.2 | Very low | 192 Ų | 192 | 121.8 Ų | 121.8 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 123.1 | -172 | -176.2 | 177.5 | 14.2 | 0 | 0 | 112.9 | G729 | G729-Q731 PolarHBondContact O-N 3.4Š|
| 732 | G | 52.2 | Low | 45 | Very low | 58 Ų | 58 | 124 Ų | 124 | 60% | 0.598 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 146.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P730 | P730-G732 PolarHBondContact O-N 3.24Š|
| 733 | P | 40.1 | Very low | 44.5 | Very low | 136 Ų | 136 | 124.7 Ų | 124.7 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 168.5 | -175.8 | 30.8 | -35.7 | 0 | 0 | 0 | 114.6 | ||
| 734 | S | 49.9 | Very low | 44.1 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 159.2 | -164.1 | -168.4 | 0 | 0 | 0 | 0 | 116.3 | ||
| 735 | G | 41.7 | Very low | 44 | Very low | 72 Ų | 72 | 124.7 Ų | 124.7 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | -147.3 | 71.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 736 | N | 35.3 | Very low | 43.8 | Very low | 155 Ų | 155 | 130.3 Ų | 130.3 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | 29 | 112.1 | 151.4 | -62.1 | -26.4 | 0 | 0 | 0 | 122.9 | ||||
| 737 | K | 40.8 | Very low | 43.6 | Very low | 207 Ų | 207 | 130.1 Ų | 130.1 | 90% | 0.9 | 80% | 0.799 | S | S | * | * | trans | 13.4 | 130.8 | 139.1 | -86 | -179.9 | 170.7 | 177.4 | 0 | 121.4 | ||||
| 738 | G | 43.1 | Very low | 43.5 | Very low | 72 Ų | 72 | 127.2 Ų | 127.2 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | -125.9 | 134.7 | 115.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 739 | A | 38.8 | Very low | 43.1 | Very low | 96 Ų | 96 | 124.4 Ų | 124.4 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | cis | 77.6 | 136.3 | 44.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 740 | M | 43.8 | Very low | 42.8 | Very low | 188 Ų | 188 | 125.3 Ų | 125.3 | 93% | 0.926 | 79% | 0.79 | S | S | * | * | cis | -178.7 | 143.8 | -21.2 | 168.9 | 171.5 | 66.3 | 0 | 0 | 108.2 | ||||
| 741 | G | 43.6 | Very low | 42.3 | Very low | 63 Ų | 63 | 126.3 Ų | 126.3 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | trans | 138.8 | 145.4 | 156.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 742 | M | 38.7 | Very low | 41.7 | Very low | 177 Ų | 177 | 122.9 Ų | 122.9 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | cis | -143.8 | 128.7 | -9.7 | -63.4 | 178.7 | 67.9 | 0 | 0 | 106.9 | ||||
| 743 | T | 44.8 | Very low | 41 | Very low | 136 Ų | 136 | 123 Ų | 123 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | 53.1 | 121.5 | 91.1 | -41.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 744 | G | 44.2 | Very low | 41.1 | Very low | 67 Ų | 67 | 118.7 Ų | 118.7 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | cis | 168.7 | -152.6 | 4.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 745 | P | 45.3 | Very low | 41.3 | Very low | 121 Ų | 121 | 117 Ų | 117 | 79% | 0.786 | 73% | 0.725 | S | S | * | * | cis | -142.3 | 171.9 | -19.3 | 43.5 | -27.1 | 0 | 0 | 0 | 115.7 | ||||
| 746 | R | 43.4 | Very low | 41 | Very low | 220 Ų | 220 | 117.1 Ų | 117.1 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | trans | 69.7 | 146.9 | 145.8 | -152 | 166.5 | -148.8 | 155.7 | 16.6 | 119.8 | E748 | R746-E748 IonicContact CZ-OE2 3.56Å; R746-E748 IonicContact NE-OE2 2.83Å; R746-E748 PolarHBondContact NE-OE2 2.82Å; R746-E748 IonicContact NH2-OE1 2.7Å; R746-E748 IonicContact NH2-OE2 2.62Å; R746-E748 PolarHBondContact NH2-OE2 2.96Å | ||
| 747 | G | 44 | Very low | 41.8 | Very low | 60 Ų | 60 | 115.5 Ų | 115.5 | 62% | 0.619 | 72% | 0.724 | S | S | * | * | cis | -128.8 | 156.3 | -5.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 748 | E | 36.8 | Very low | 41.8 | Very low | 142 Ų | 142 | 112.8 Ų | 112.8 | 66% | 0.664 | 73% | 0.725 | S | S | * | * | 63.4 | 134.8 | 63.7 | -62 | -177.9 | 128.5 | 0 | 0 | 113 | R746 | R746-E748 IonicContact CZ-OE2 3.56Å; R746-E748 IonicContact NE-OE2 2.83Å; R746-E748 PolarHBondContact NE-OE2 2.82Å; R746-E748 IonicContact NH2-OE1 2.7Å; R746-E748 IonicContact NH2-OE2 2.62Å; R746-E748 PolarHBondContact NH2-OE2 2.96Å | |||
| 749 | T | 36.9 | Very low | 41.7 | Very low | 136 Ų | 136 | 112.4 Ų | 112.4 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | cis | -173.2 | 149.4 | -9.7 | -88.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 750 | G | 42.9 | Very low | 41.9 | Very low | 73 Ų | 73 | 112.9 Ų | 112.9 | 75% | 0.753 | 73% | 0.725 | S | S | * | * | cis | 164 | -152.1 | -6.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 751 | Q | 32.1 | Very low | 42 | Very low | 156 Ų | 156 | 110.6 Ų | 110.6 | 73% | 0.729 | 72% | 0.722 | S | S | * | * | trans | -61.5 | 171.2 | 174.7 | -74.9 | 172.2 | 23 | 0 | 0 | 113.4 | ||||
| 752 | R | 38.2 | Very low | 41.9 | Very low | 121 Ų | 121 | 110.8 Ų | 110.8 | 46% | 0.457 | 72% | 0.724 | S | S | . | * | cis | -169.6 | 157.8 | -6.7 | 154.3 | -169.4 | -67.9 | 118.5 | -13 | 106.5 | G140 P141 M142 | G140-R752 WeakPolarHBondContact CA-O 3.47Å; P141-R752 WeakPolarHBondContact O-CD 3Å; P141-R752 WeakPolarHBondContact O-CG 3.25Å; M142-R752 VanDerWaalsContact O-CD 3.23Å; M142-R752 WeakPolarHBondContact O-CD 3.2Å; M142-R752 PolarHBondContact O-NE 3.1Å; M142-R752 PolarHBondContact O-NH1 3.37Å | ||
| 753 | G | 37.6 | Very low | 42.1 | Very low | 60 Ų | 60 | 110.6 Ų | 110.6 | 62% | 0.619 | 73% | 0.726 | S | S | * | * | trans | -142 | 115.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 754 | A | 41.2 | Very low | 42 | Very low | 46 Ų | 46 | 110.8 Ų | 110.8 | 38% | 0.38 | 73% | 0.727 | S | S | . | * | trans | -163.7 | 177.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | P141 | P141-A754 WeakPolarHBondContact CD-O 3.22Å; P141-A754 VanDerWaalsContact O-O 3.07Å | ||
| 755 | P | 54.2 | Low | 41.7 | Very low | 89 Ų | 89 | 110.9 Ų | 110.9 | 58% | 0.578 | 73% | 0.728 | S | S | * | * | -117.1 | -174.2 | -60 | 38.2 | -26.8 | 0 | 0 | 0 | 110.5 | M142 | M142-P755 HydrophobicContact CE-CG 3.59Å; M142-P755 VanDerWaalsContact SD-CD 3.51Å; M142-P755 HydrophobicContact SD-CG 4.02Å | |||
| 756 | G | 36.5 | Very low | 41.8 | Very low | 74 Ų | 74 | 114.8 Ų | 114.8 | 76% | 0.763 | 74% | 0.736 | S | S | * | * | trans | -150.5 | 113.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 757 | P | 51.3 | Low | 41.9 | Very low | 121 Ų | 121 | 110.4 Ų | 110.4 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | trans | -93.2 | 174.8 | 176 | 37.5 | -35 | 0 | 0 | 0 | 112.7 | ||||
| 758 | T | 40.6 | Very low | 41.6 | Very low | 150 Ų | 150 | 110.6 Ų | 110.6 | 92% | 0.92 | 74% | 0.738 | S | S | * | * | trans | 117.4 | 130.2 | 176.5 | -54.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 759 | G | 41 | Very low | 41.6 | Very low | 64 Ų | 64 | 112.8 Ų | 112.8 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | cis | -169.3 | 176.7 | -2.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 760 | A | 42.7 | Very low | 42.5 | Very low | 107 Ų | 107 | 113.1 Ų | 113.1 | 88% | 0.884 | 76% | 0.755 | S | S | * | * | trans | -83.1 | 123.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 761 | T | 45.9 | Very low | 42.7 | Very low | 140 Ų | 140 | 112.8 Ų | 112.8 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | trans | -153.1 | 121.6 | 173.5 | -61.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 762 | G | 42.1 | Very low | 43 | Very low | 66 Ų | 66 | 111.2 Ų | 111.2 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | trans | 64.8 | 115 | 143 | 0 | 0 | 0 | 0 | 0 | 120.6 | V764 | G762-V764 PolarHBondContact O-N 3.17Š| ||
| 763 | D | 41.6 | Very low | 43.7 | Very low | 173 Ų | 173 | 111.2 Ų | 111.2 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | trans | -69.2 | 116 | 165.4 | -55.5 | -77.7 | 0 | 0 | 0 | 112.2 | ||||
| 764 | V | 43.5 | Very low | 44.1 | Very low | 141 Ų | 141 | 112 Ų | 112 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -144.4 | 107.5 | 167.4 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | G762 | G762-V764 PolarHBondContact O-N 3.17Š| ||
| 765 | G | 38.8 | Very low | 43.8 | Very low | 68 Ų | 68 | 117.3 Ų | 117.3 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | 77.6 | 113.6 | 144.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | P767 | G765-P767 WeakPolarHBondContact O-CD 3.49Š| ||
| 766 | E | 45.6 | Very low | 43 | Very low | 204 Ų | 204 | 119.8 Ų | 119.8 | 95% | 0.953 | 81% | 0.808 | S | S | * | * | trans | -75.9 | 119.7 | 150.9 | -70.6 | -164.8 | 121.1 | 0 | 0 | 110 | ||||
| 767 | P | 46.9 | Very low | 43.4 | Very low | 128 Ų | 128 | 120.1 Ų | 120.1 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | -144.6 | 148.7 | 122.4 | 35.5 | -21.4 | 0 | 0 | 0 | 112.8 | G765 | G765-P767 WeakPolarHBondContact O-CD 3.49Š| |||
| 768 | G | 37.9 | Very low | 42.7 | Very low | 64 Ų | 64 | 120.7 Ų | 120.7 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | cis | -173.2 | 174.2 | -1.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T770 | G768-T770 PolarHBondContact O-N 3.45Š| ||
| 769 | L | 36.2 | Very low | 42.9 | Very low | 188 Ų | 188 | 119.9 Ų | 119.9 | 98% | 0.984 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 123.1 | -171.6 | -65.6 | 169.2 | 0 | 0 | 0 | 113.1 | ||
| 770 | T | 56.3 | Low | 43.1 | Very low | 142 Ų | 142 | 119.9 Ų | 119.9 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 126.2 | 172 | -60.4 | 0 | 0 | 0 | 0 | 109.8 | G768 | G768-T770 PolarHBondContact O-N 3.45Š|
| 771 | G | 45.7 | Very low | 43 | Very low | 67 Ų | 67 | 121.3 Ų | 121.3 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 158 | -170 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 772 | P | 38.5 | Very low | 43 | Very low | 123 Ų | 123 | 120 Ų | 120 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | trans | -97 | 175.7 | 174.9 | 42.2 | -37.6 | 0 | 0 | 0 | 111.9 | ||||
| 773 | P | 53.6 | Low | 43.1 | Very low | 120 Ų | 120 | 120 Ų | 120 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | -131.5 | 178.4 | -61.3 | 38.4 | -22.9 | 0 | 0 | 0 | 111.9 | |||||
| 774 | G | 45 | Very low | 43 | Very low | 76 Ų | 76 | 116 Ų | 116 | 78% | 0.784 | 75% | 0.745 | S | S | * | * | trans | -107.2 | 142.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 775 | L | 35.4 | Very low | 43.1 | Very low | 159 Ų | 159 | 115.8 Ų | 115.8 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | trans | -120.9 | 149.1 | -178.2 | -91.8 | 173.2 | 0 | 0 | 0 | 114.1 | ||||
| 776 | N | 38.3 | Very low | 43.1 | Very low | 141 Ų | 141 | 116.1 Ų | 116.1 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | trans | 68.9 | 118.3 | 163.6 | -74 | -4.3 | 0 | 0 | 0 | 121.1 | ||||
| 777 | G | 44.1 | Very low | 42.6 | Very low | 80 Ų | 80 | 114.3 Ų | 114.3 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | trans | -145.2 | 134.1 | 145.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 778 | N | 36.7 | Very low | 42.4 | Very low | 133 Ų | 133 | 119.1 Ų | 119.1 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | -121.5 | 137.8 | -155.7 | -118 | -25.1 | 0 | 0 | 0 | 115.6 | ||||
| 779 | I | 46.1 | Very low | 42.4 | Very low | 133 Ų | 133 | 119.3 Ų | 119.3 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | trans | 73.2 | 123.3 | 153.3 | -60 | 168.7 | 0 | 0 | 0 | 119.7 | ||||
| 780 | G | 44.7 | Very low | 42.3 | Very low | 65 Ų | 65 | 119.3 Ų | 119.3 | 67% | 0.67 | 74% | 0.738 | S | S | * | * | trans | -153.7 | 132 | 148.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 781 | R | 40.2 | Very low | 42.1 | Very low | 137 Ų | 137 | 119.1 Ų | 119.1 | 52% | 0.517 | 74% | 0.739 | S | S | . | * | trans | -114.8 | 115.6 | -164.5 | -81.8 | -173.5 | 170.6 | -160 | 8 | 116.3 | S406 | S406-R781 WeakPolarHBondContact CB-O 3.31Å; S406-R781 WeakPolarHBondContact O-CD 3.38Å; S406-R781 PolarHBondContact O-NH1 3.23Å; S406-R781 PolarHBondContact OG-O 3.02Å | ||
| 782 | K | 45.2 | Very low | 42 | Very low | 111 Ų | 111 | 119.3 Ų | 119.3 | 48% | 0.483 | 74% | 0.741 | S | S | . | * | trans | 57.9 | 138.2 | 138.1 | -159.4 | -167.4 | -171.8 | -165.2 | 0 | 120.4 | S406 P784 | S406-K782 PolarHBondContact OG-O 3.33Å; K782-P784 HydrophobicContact CD-CB 4.45Å | ||
| 783 | G | 44.9 | Very low | 41.8 | Very low | 67 Ų | 67 | 120.4 Ų | 120.4 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | trans | -125.1 | 152 | 145.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 784 | P | 40.3 | Very low | 41.3 | Very low | 89 Ų | 89 | 126.5 Ų | 126.5 | 58% | 0.578 | 75% | 0.752 | S | S | * | * | trans | -128.1 | 142 | -155.6 | 37.4 | -20.6 | 0 | 0 | 0 | 119 | K782 | K782-P784 HydrophobicContact CD-CB 4.45Š| ||
| 785 | T | 44.5 | Very low | 41.5 | Very low | 137 Ų | 137 | 125.9 Ų | 125.9 | 84% | 0.84 | 75% | 0.746 | S | S | * | * | trans | 67 | 133.8 | 143.1 | -51 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 786 | G | 39.3 | Very low | 41.5 | Very low | 74 Ų | 74 | 128.1 Ų | 128.1 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | trans | -173.9 | 64.2 | 171 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 787 | Q | 34.4 | Very low | 41.6 | Very low | 166 Ų | 166 | 129.4 Ų | 129.4 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | -148.9 | 152.7 | 158.8 | -74.7 | -161.4 | 30.7 | 0 | 0 | 107.6 | ||||
| 788 | R | 43.2 | Very low | 41.8 | Very low | 229 Ų | 229 | 128.7 Ų | 128.7 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | cis | -152.4 | 157.1 | 8.9 | -131.7 | -179.6 | -160.3 | -150.1 | 2.9 | 105.8 | ||||
| 789 | G | 38.2 | Very low | 41.8 | Very low | 68 Ų | 68 | 129.1 Ų | 129.1 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | cis | 163.9 | 178.4 | 2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 790 | Q | 33.6 | Very low | 41.8 | Very low | 189 Ų | 189 | 127.6 Ų | 127.6 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | trans | -116.7 | 145.8 | 169.4 | -75.2 | -175.3 | -10.6 | 0 | 0 | 111 | G792 | Q790-G792 PolarHBondContact O-N 3.02Š| ||
| 791 | P | 53.1 | Low | 41.7 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 90% | 0.896 | 76% | 0.755 | S | S | * | * | trans | -74.3 | 122.1 | 176.2 | -12.9 | 29.2 | 0 | 0 | 0 | 111.5 | ||||
| 792 | G | 42.1 | Very low | 41.5 | Very low | 71 Ų | 71 | 130.3 Ų | 130.3 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | trans | -111.7 | 117.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q790 | Q790-G792 PolarHBondContact O-N 3.02Š| ||
| 793 | V | 34.4 | Very low | 41.7 | Very low | 145 Ų | 145 | 131 Ų | 131 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | 7.6 | 138.2 | 162.8 | -74 | 0 | 0 | 0 | 0 | 121.2 | G795 | V793-G795 PolarHBondContact O-N 2.76Š| ||
| 794 | R | 42.9 | Very low | 41.8 | Very low | 248 Ų | 248 | 131.3 Ų | 131.3 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | trans | -54.4 | 104.9 | 167.2 | 178.1 | -177.3 | -179.1 | -177.9 | 1.3 | 111.8 | ||||
| 795 | G | 49.7 | Very low | 41.6 | Very low | 64 Ų | 64 | 136.8 Ų | 136.8 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63 | 152 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V793 | V793-G795 PolarHBondContact O-N 2.76Š|
| 796 | K | 35.2 | Very low | 41.4 | Very low | 206 Ų | 206 | 136.8 Ų | 136.8 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -77 | 156.1 | 179.8 | -64.6 | -176.5 | -179 | -179.4 | 0 | 111.2 | ||
| 797 | Q | 41.3 | Very low | 41.7 | Very low | 167 Ų | 167 | 136.2 Ų | 136.2 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 139.1 | 173.5 | 173.9 | 179.2 | -37.9 | 0 | 0 | 110.8 | D799 | Q797-D799 PolarHBondContact NE2-OD1 3.01Š|
| 798 | G | 47.9 | Very low | 41.7 | Very low | 66 Ų | 66 | 137.6 Ų | 137.6 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | trans | -119.2 | 145.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | A800 | G798-A800 PolarHBondContact O-N 2.91Š| ||
| 799 | D | 36.6 | Very low | 41.6 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -76 | 128.2 | -162.7 | -54.5 | -61.2 | 0 | 0 | 0 | 112.9 | Q797 | Q797-D799 PolarHBondContact NE2-OD1 3.01Š| ||
| 800 | A | 45.3 | Very low | 41.9 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -80.5 | 129 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | G798 | G798-A800 PolarHBondContact O-N 2.91Š| ||
| 801 | G | 42.7 | Very low | 42.2 | Very low | 69 Ų | 69 | 127.9 Ų | 127.9 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -67 | 177.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 802 | E | 35.9 | Very low | 41.6 | Very low | 190 Ų | 190 | 129.2 Ų | 129.2 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -46.5 | 137.8 | 177.8 | -64.2 | -172.9 | 121.3 | 0 | 0 | 111.8 | G804 | E802-G804 PolarHBondContact O-N 3.06Š|
| 803 | P | 49.8 | Very low | 41.4 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -54.9 | 108.6 | 173.7 | -26.2 | 35.2 | 0 | 0 | 0 | 110.6 | K805 | P803-K805 PolarHBondContact O-N 2.98Å; P803-K805 VanDerWaalsContact O-N 3.09Å | ||
| 804 | G | 47 | Very low | 41.5 | Very low | 72 Ų | 72 | 132.3 Ų | 132.3 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | -53.8 | 120.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | E802 T806 | E802-G804 PolarHBondContact O-N 3.06Å; G804-T806 PolarHBondContact O-N 2.85Å; G804-T806 VanDerWaalsContact O-N 3.16Å | ||
| 805 | K | 37.4 | Very low | 41.5 | Very low | 204 Ų | 204 | 125.8 Ų | 125.8 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | trans | -42.2 | 122.7 | -170.1 | -66.4 | -178.6 | 179.6 | -178.5 | 0 | 110.2 | P803 G807 | P803-K805 PolarHBondContact O-N 2.98Å; P803-K805 VanDerWaalsContact O-N 3.09Å; K805-G807 PolarHBondContact O-N 3.09Å | ||
| 806 | T | 40.2 | Very low | 40.9 | Very low | 137 Ų | 137 | 125.9 Ų | 125.9 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | -49.2 | 108.5 | 177.9 | -50.9 | 0 | 0 | 0 | 0 | 108.8 | G804 E808 | G804-T806 PolarHBondContact O-N 2.85Å; G804-T806 VanDerWaalsContact O-N 3.16Å; T806-E808 PolarHBondContact O-N 3.05Å | ||
| 807 | G | 44 | Very low | 40.9 | Very low | 62 Ų | 62 | 125.9 Ų | 125.9 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | trans | -57 | 135 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | K805 A809 | K805-G807 PolarHBondContact O-N 3.09Å; G807-A809 PolarHBondContact O-N 3.41Å | ||
| 808 | E | 35.7 | Very low | 41 | Very low | 195 Ų | 195 | 126.3 Ų | 126.3 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | trans | -48.9 | 129.5 | -177.3 | -65.8 | -177.7 | 129.3 | 0 | 0 | 109.5 | T806 G810 | T806-E808 PolarHBondContact O-N 3.05Å; E808-G810 PolarHBondContact O-N 3.45Å | ||
| 809 | A | 40.5 | Very low | 40.8 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | -62.2 | 103.8 | -180 | 0 | 0 | 0 | 0 | 0 | 108 | G807 | G807-A809 PolarHBondContact O-N 3.41Š| ||
| 810 | G | 44.9 | Very low | 41.1 | Very low | 57 Ų | 57 | 124.5 Ų | 124.5 | 59% | 0.588 | 77% | 0.772 | S | S | * | * | trans | -49 | 135.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | E808 H812 | E808-G810 PolarHBondContact O-N 3.45Å; G810-H812 PolarHBondContact O-N 3.19Å; G810-H812 VanDerWaalsContact O-N 3.08Å | ||
| 811 | P | 39.7 | Very low | 41.4 | Very low | 127 Ų | 127 | 125.3 Ų | 125.3 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | -50.5 | 122.2 | -166.1 | 19.9 | -33.3 | 0 | 0 | 0 | 109.3 | G813 | P811-G813 PolarHBondContact O-N 3.42Š| ||
| 812 | H | 39.8 | Very low | 41.3 | Very low | 167 Ų | 167 | 125.3 Ų | 125.3 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -51.1 | 106.6 | -167.6 | -172.4 | 98.3 | 0 | 0 | 0 | 108.9 | G810 Y814 | G810-H812 PolarHBondContact O-N 3.19Å; G810-H812 VanDerWaalsContact O-N 3.08Å; H812-Y814 PolarHBondContact O-N 2.9Å; H812-Y814 VanDerWaalsContact O-N 3.1Å | ||
| 813 | G | 38.2 | Very low | 41.5 | Very low | 59 Ų | 59 | 124.6 Ų | 124.6 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | trans | -55.4 | 123.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | P811 P815 | P811-G813 PolarHBondContact O-N 3.42Å; G813-P815 VanDerWaalsContact O-N 3.15Å | ||
| 814 | Y | 35.9 | Very low | 41.6 | Very low | 221 Ų | 221 | 124.6 Ų | 124.6 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | trans | -42.7 | 126.7 | 177.9 | -69.8 | -80.6 | 0 | 0 | 0 | 108.4 | H812 G816 | H812-Y814 PolarHBondContact O-N 2.9Å; H812-Y814 VanDerWaalsContact O-N 3.1Å; Y814-G816 WeakPolarHBondContact O-CA 3.1Å; Y814-G816 PolarHBondContact O-N 3.46Å | ||
| 815 | P | 44.8 | Very low | 41.4 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | trans | -48.4 | 107.4 | -178.8 | -30.3 | 35.8 | 0 | 0 | 0 | 108.7 | G813 F817 | G813-P815 VanDerWaalsContact O-N 3.15Å; P815-F817 PolarHBondContact O-N 3.47Å; P815-F817 VanDerWaalsContact O-N 3.09Å | ||
| 816 | G | 36.2 | Very low | 41.7 | Very low | 67 Ų | 67 | 120.8 Ų | 120.8 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | trans | -56.4 | 123.4 | -162.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y814 M818 | Y814-G816 WeakPolarHBondContact O-CA 3.1Å; Y814-G816 PolarHBondContact O-N 3.46Å; G816-M818 PolarHBondContact O-N 3.28Å | ||
| 817 | F | 35.4 | Very low | 42.3 | Very low | 205 Ų | 205 | 123.5 Ų | 123.5 | 90% | 0.899 | 76% | 0.763 | S | S | * | * | trans | -41.8 | 111.9 | -173.8 | -80.6 | -80.4 | 0 | 0 | 0 | 108.7 | P815 G819 | P815-F817 PolarHBondContact O-N 3.47Å; P815-F817 VanDerWaalsContact O-N 3.09Å; F817-G819 PolarHBondContact O-N 2.96Å | ||
| 818 | M | 43.6 | Very low | 42.5 | Very low | 177 Ų | 177 | 123.1 Ų | 123.1 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | trans | -56.7 | 108.6 | -171.6 | -179.7 | 175.5 | 67.1 | 0 | 0 | 106.7 | G816 | G816-M818 PolarHBondContact O-N 3.28Š| ||
| 819 | G | 43.8 | Very low | 43 | Very low | 49 Ų | 49 | 120.1 Ų | 120.1 | 51% | 0.505 | 76% | 0.756 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 139.1 | -167 | 0 | 0 | 0 | 0 | 0 | 109.6 | F817 P821 | F817-G819 PolarHBondContact O-N 2.96Å; G819-P821 VanDerWaalsContact O-N 3.1Å |
| 820 | P | 42.5 | Very low | 43.6 | Very low | 120 Ų | 120 | 120.3 Ų | 120.3 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 125.4 | 179.6 | 21.5 | -32.8 | 0 | 0 | 0 | 107.8 | G822 | P820-G822 PolarHBondContact O-N 2.83Š|
| 821 | P | 50.5 | Low | 44 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 117.8 | -175.4 | -29.8 | 35.8 | 0 | 0 | 0 | 109.3 | G819 E823 | G819-P821 VanDerWaalsContact O-N 3.1Å; P821-E823 PolarHBondContact O-N 2.98Å |
| 822 | G | 42.4 | Very low | 44 | Very low | 68 Ų | 68 | 120.8 Ų | 120.8 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 134.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | P820 | P820-G822 PolarHBondContact O-N 2.83Š|
| 823 | E | 38.7 | Very low | 44.2 | Very low | 175 Ų | 175 | 122.3 Ų | 122.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -49 | 129.3 | -174.1 | -63.8 | -173.9 | 138.4 | 0 | 0 | 110.3 | P821 G825 | P821-E823 PolarHBondContact O-N 2.98Å; E823-G825 PolarHBondContact O-N 2.95Å; E823-G825 VanDerWaalsContact O-N 3.08Å |
| 824 | P | 52.3 | Low | 44.9 | Very low | 127 Ų | 127 | 122.9 Ų | 122.9 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 120.8 | 174.3 | -26.1 | 35 | 0 | 0 | 0 | 109.4 | ||
| 825 | G | 43.9 | Very low | 45 | Very low | 62 Ų | 62 | 118 Ų | 118 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -55 | 145.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | E823 E827 | E823-G825 PolarHBondContact O-N 2.95Å; E823-G825 VanDerWaalsContact O-N 3.08Å; G825-E827 PolarHBondContact O-N 3.5Å |
| 826 | P | 43 | Very low | 44.9 | Very low | 133 Ų | 133 | 121.5 Ų | 121.5 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 130.6 | -171.8 | 22 | -33.7 | 0 | 0 | 0 | 111 | G828 | P826-G828 PolarHBondContact O-N 3.09Š|
| 827 | E | 53.5 | Low | 45.7 | Very low | 195 Ų | 195 | 121 Ų | 121 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 130.6 | -178 | -168.2 | 164.3 | -145 | 0 | 0 | 109.9 | G825 | G825-E827 PolarHBondContact O-N 3.5Š|
| 828 | G | 47.2 | Very low | 46.1 | Very low | 54 Ų | 54 | 117 Ų | 117 | 56% | 0.557 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 150.5 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | P826 A830 | P826-G828 PolarHBondContact O-N 3.09Å; G828-A830 PolarHBondContact O-N 3.38Å |
| 829 | P | 46.2 | Very low | 46.4 | Very low | 132 Ų | 132 | 114.4 Ų | 114.4 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -56 | 130.4 | -179.6 | 24.4 | -34.2 | 0 | 0 | 0 | 110.4 | G831 | P829-G831 PolarHBondContact O-N 3.14Š|
| 830 | A | 53.9 | Low | 46.9 | Very low | 101 Ų | 101 | 115.7 Ų | 115.7 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -55 | 128.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G828 | G828-A830 PolarHBondContact O-N 3.38Š|
| 831 | G | 51.5 | Low | 46.7 | Very low | 75 Ų | 75 | 119.6 Ų | 119.6 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 138.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P829 | P829-G831 PolarHBondContact O-N 3.14Š|
| 832 | S | 40.2 | Very low | 46.7 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 142.4 | -178.7 | 49.5 | 0 | 0 | 0 | 0 | 112.1 | G834 | S832-G834 PolarHBondContact O-N 2.98Å; S832-G834 VanDerWaalsContact O-N 3.16Å |
| 833 | E | 45.1 | Very low | 47.2 | Very low | 199 Ų | 199 | 122.4 Ų | 122.4 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | trans | -49.9 | 115 | -176.4 | -171.7 | 173.1 | -171.5 | 0 | 0 | 112.3 | ||||
| 834 | G | 51.5 | Low | 47.6 | Very low | 71 Ų | 71 | 119.9 Ų | 119.9 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | -83 | 124.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S832 | S832-G834 PolarHBondContact O-N 2.98Å; S832-G834 VanDerWaalsContact O-N 3.16Å | ||
| 835 | S | 39.1 | Very low | 47.3 | Very low | 117 Ų | 117 | 119.9 Ų | 119.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -56.8 | 143.9 | -174.4 | 55.8 | 0 | 0 | 0 | 0 | 114.4 | G837 | S835-G837 PolarHBondContact O-N 2.91Š| ||
| 836 | E | 43 | Very low | 47.4 | Very low | 185 Ų | 185 | 120.7 Ų | 120.7 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -43.9 | 127.1 | 179.6 | -172.3 | 176.8 | -166.6 | 0 | 0 | 114.4 | ||||
| 837 | G | 52.6 | Low | 47.2 | Very low | 56 Ų | 56 | 124.6 Ų | 124.6 | 58% | 0.577 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 145.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S835 | S835-G837 PolarHBondContact O-N 2.91Š|
| 838 | P | 44.3 | Very low | 46.4 | Very low | 121 Ų | 121 | 124.1 Ų | 124.1 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 151.5 | -171.5 | 27.6 | -35.5 | 0 | 0 | 0 | 113.2 | ||
| 839 | P | 49.8 | Very low | 45.9 | Very low | 123 Ų | 123 | 124.4 Ų | 124.4 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 137.7 | 175.7 | -25.7 | 35 | 0 | 0 | 0 | 113.2 | ||
| 840 | G | 53.9 | Low | 45.2 | Very low | 77 Ų | 77 | 126.9 Ų | 126.9 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 151.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 841 | E | 38.2 | Very low | 44.4 | Very low | 201 Ų | 201 | 130 Ų | 130 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 140.9 | 178.6 | -62.5 | -172.9 | 131.5 | 0 | 0 | 112.6 | ||
| 842 | Q | 50.2 | Low | 43.9 | Very low | 188 Ų | 188 | 129.8 Ų | 129.8 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 121.3 | 176.5 | -173.5 | 176.6 | 9.3 | 0 | 0 | 110.6 | ||
| 843 | G | 52.4 | Low | 43.7 | Very low | 58 Ų | 58 | 133.2 Ų | 133.2 | 60% | 0.598 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 141 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 844 | P | 47.3 | Very low | 43.9 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 134.7 | -176.5 | 29.9 | -34.6 | 0 | 0 | 0 | 112.6 | ||
| 845 | P | 47.7 | Very low | 43.6 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 138.9 | 166.6 | -23.5 | 35 | 0 | 0 | 0 | 112 | ||
| 846 | G | 45.5 | Very low | 43.7 | Very low | 78 Ų | 78 | 129.7 Ų | 129.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 169.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 847 | K | 39 | Very low | 44.1 | Very low | 216 Ų | 216 | 127 Ų | 127 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | trans | -121 | 157.2 | 167.9 | -68.7 | -174.3 | 177.6 | -177.8 | 0 | 110 | ||||
| 848 | H | 37 | Very low | 43.8 | Very low | 184 Ų | 184 | 127.6 Ų | 127.6 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | trans | -118.6 | 151.7 | -173.1 | 170.5 | 83.2 | 0 | 0 | 0 | 111.5 | ||||
| 849 | G | 36.6 | Very low | 43.8 | Very low | 60 Ų | 60 | 129.5 Ų | 129.5 | 62% | 0.619 | 79% | 0.791 | S | S | * | * | trans | 90.4 | 138.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 850 | E | 31.4 | Very low | 44 | Very low | 184 Ų | 184 | 128.5 Ų | 128.5 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | cis | -163.1 | 154.6 | -9.8 | -150 | 171.1 | -163.7 | 0 | 0 | 111.3 | ||||
| 851 | L | 35.8 | Very low | 43.6 | Very low | 168 Ų | 168 | 127.7 Ų | 127.7 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | trans | 62.5 | 135.4 | 159.6 | -159.6 | 65 | 0 | 0 | 0 | 121 | ||||
| 852 | G | 41 | Very low | 43.9 | Very low | 70 Ų | 70 | 124.2 Ų | 124.2 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | 158.6 | 112.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 853 | E | 36.1 | Very low | 44.6 | Very low | 191 Ų | 191 | 121.3 Ų | 121.3 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | -90.4 | 166.3 | -170.4 | -70.3 | -166.9 | 114.7 | 0 | 0 | 115.5 | ||||
| 854 | V | 49.1 | Very low | 44.6 | Very low | 126 Ų | 126 | 122 Ų | 122 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | -40.6 | 139.9 | -168.1 | 179.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 855 | G | 45.1 | Very low | 44.4 | Very low | 61 Ų | 61 | 127.8 Ų | 127.8 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | trans | -126.7 | 146.5 | 148.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 856 | D | 41.3 | Very low | 45 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 68% | 0.679 | 79% | 0.79 | S | S | * | * | trans | -76.2 | 167.3 | -165.2 | -66.3 | -69.7 | 0 | 0 | 0 | 116.6 | ||||
| 857 | V | 52.1 | Low | 45.3 | Very low | 127 Ų | 127 | 125.3 Ų | 125.3 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -60.3 | 143.5 | -164.5 | 176.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 858 | G | 47.2 | Very low | 45.6 | Very low | 69 Ų | 69 | 120.9 Ų | 120.9 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -116.1 | 130.4 | 151.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 859 | D | 43.4 | Very low | 46.3 | Very low | 161 Ų | 161 | 118.1 Ų | 118.1 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -69 | 136.8 | -169.5 | -70.3 | -57.8 | 0 | 0 | 0 | 114.8 | ||||
| 860 | A | 53.1 | Low | 46.9 | Very low | 102 Ų | 102 | 118.7 Ų | 118.7 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -131.7 | 65 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 861 | G | 46.7 | Very low | 47.3 | Very low | 61 Ų | 61 | 121.9 Ų | 121.9 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | trans | 65.8 | 128.8 | 152.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 862 | P | 44.2 | Very low | 47.6 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 135.4 | 171.4 | 27.8 | -33.9 | 0 | 0 | 0 | 110.6 | G864 | P862-G864 PolarHBondContact O-N 3.06Š|
| 863 | P | 65.1 | Low | 47.9 | Very low | 128 Ų | 128 | 123.1 Ų | 123.1 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 132 | 177.7 | -28.7 | 35.6 | 0 | 0 | 0 | 112.1 | R865 | P863-R865 PolarHBondContact O-N 3.43Š|
| 864 | G | 53.1 | Low | 47.9 | Very low | 73 Ų | 73 | 123 Ų | 123 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 136.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | P862 A866 | P862-G864 PolarHBondContact O-N 3.06Å; G864-A866 PolarHBondContact O-N 2.98Å; G864-A866 VanDerWaalsContact O-N 3.16Å |
| 865 | R | 42.8 | Very low | 48 | Very low | 243 Ų | 243 | 122.4 Ų | 122.4 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 126 | 175.8 | -76.1 | -176.9 | 171.3 | -164.8 | -5.5 | 109.3 | P863 G867 | P863-R865 PolarHBondContact O-N 3.43Å; R865-G867 PolarHBondContact O-N 3.12Å |
| 866 | A | 59.9 | Low | 48.1 | Very low | 98 Ų | 98 | 122.7 Ų | 122.7 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 131.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | G864 | G864-A866 PolarHBondContact O-N 2.98Å; G864-A866 VanDerWaalsContact O-N 3.16Å |
| 867 | G | 51.7 | Low | 48 | Very low | 55 Ų | 55 | 126.4 Ų | 126.4 | 57% | 0.567 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 157.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | R865 | R865-G867 PolarHBondContact O-N 3.12Š|
| 868 | P | 44.1 | Very low | 48.1 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 131.5 | 167.7 | 25.4 | -33.6 | 0 | 0 | 0 | 108 | G870 | P868-G870 PolarHBondContact O-N 3.12Š|
| 869 | P | 53.6 | Low | 48.1 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -51 | 119.2 | -177.8 | -29.4 | 35.5 | 0 | 0 | 0 | 110 | R871 | P869-R871 PolarHBondContact O-N 3.18Š|
| 870 | G | 48.6 | Very low | 48 | Very low | 71 Ų | 71 | 124.5 Ų | 124.5 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 128 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | P868 R872 | P868-G870 PolarHBondContact O-N 3.12Å; G870-R872 PolarHBondContact O-N 3.25Å |
| 871 | R | 39.2 | Very low | 48.1 | Very low | 251 Ų | 251 | 130.8 Ų | 130.8 | 95% | 0.947 | 78% | 0.781 | S | S | * | * | trans | -50.4 | 111.7 | -178 | -78.5 | -174.2 | 173.4 | -130.7 | 1.8 | 107.9 | P869 G873 | P869-R871 PolarHBondContact O-N 3.18Å; R871-G873 PolarHBondContact O-N 3.35Å | ||
| 872 | R | 41.9 | Very low | 48.2 | Very low | 206 Ų | 206 | 130.3 Ų | 130.3 | 78% | 0.777 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 118.1 | -179.1 | 173.9 | 177 | -78.5 | -170.9 | -4.7 | 107.1 | G870 H874 | G870-R872 PolarHBondContact O-N 3.25Å; R872-H874 PolarHBondContact O-N 3.41Å |
| 873 | G | 47 | Very low | 48.3 | Very low | 59 Ų | 59 | 130 Ų | 130 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 136.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | R871 P875 | R871-G873 PolarHBondContact O-N 3.35Å; G873-P875 WeakPolarHBondContact O-CD 3.4Å |
| 874 | H | 37.7 | Very low | 47.9 | Very low | 187 Ų | 187 | 129.7 Ų | 129.7 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 121.5 | 178.9 | -64.1 | 89.6 | 0 | 0 | 0 | 108.7 | R872 G876 | R872-H874 PolarHBondContact O-N 3.41Å; H874-G876 PolarHBondContact O-N 3.15Å |
| 875 | P | 51.3 | Low | 47.7 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 128.5 | 173.6 | -22.4 | 34.2 | 0 | 0 | 0 | 109.2 | G873 | G873-P875 WeakPolarHBondContact O-CD 3.4Š|
| 876 | G | 47.2 | Very low | 47.6 | Very low | 68 Ų | 68 | 127.2 Ų | 127.2 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 142.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | H874 | H874-G876 PolarHBondContact O-N 3.15Š|
| 877 | F | 39 | Very low | 47.3 | Very low | 204 Ų | 204 | 129.2 Ų | 129.2 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -57 | 129 | 177.9 | -70.2 | -80.7 | 0 | 0 | 0 | 110.8 | G879 | F877-G879 PolarHBondContact O-N 3.01Š|
| 878 | P | 53.2 | Low | 47.2 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 128.9 | 169.1 | -23 | 34 | 0 | 0 | 0 | 109.9 | ||
| 879 | G | 47 | Very low | 47.1 | Very low | 63 Ų | 63 | 133.1 Ų | 133.1 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 147.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F877 R881 | F877-G879 PolarHBondContact O-N 3.01Å; G879-R881 PolarHBondContact O-N 3.19Å |
| 880 | P | 42.6 | Very low | 47.5 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 125.9 | -177.8 | 24.6 | -33.8 | 0 | 0 | 0 | 110.3 | G882 | P880-G882 PolarHBondContact O-N 2.95Å; P880-G882 VanDerWaalsContact O-N 3.12Å |
| 881 | R | 54 | Low | 47.6 | Very low | 235 Ų | 235 | 133.1 Ų | 133.1 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 117.8 | 173.7 | -179.5 | -179.9 | 179.8 | -179.6 | 0.2 | 108.4 | G879 | G879-R881 PolarHBondContact O-N 3.19Š|
| 882 | G | 49.8 | Very low | 47.7 | Very low | 51 Ų | 51 | 130.1 Ų | 130.1 | 53% | 0.526 | 78% | 0.775 | S | S | . | * | P | Polyproline II helix | trans | -54.3 | 152 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | P880 | P880-G882 PolarHBondContact O-N 2.95Å; P880-G882 VanDerWaalsContact O-N 3.12Å |
| 883 | P | 45.8 | Very low | 48.8 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 141.2 | -178.7 | 24.5 | -34.3 | 0 | 0 | 0 | 110.3 | G885 | P883-G885 PolarHBondContact O-N 3.22Š|
| 884 | P | 56.7 | Low | 49.2 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 125.2 | 171.2 | -23.5 | 33.8 | 0 | 0 | 0 | 109.6 | ||
| 885 | G | 49.7 | Very low | 49.6 | Very low | 67 Ų | 67 | 124 Ų | 124 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 145.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | P883 V887 | P883-G885 PolarHBondContact O-N 3.22Å; G885-V887 PolarHBondContact O-N 3.46Å |
| 886 | E | 39.2 | Very low | 49.7 | Very low | 196 Ų | 196 | 125.6 Ų | 125.6 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 128 | -179 | -66.1 | -166.8 | 147.9 | 0 | 0 | 110.8 | G888 | E886-G888 PolarHBondContact O-N 3.22Š|
| 887 | V | 53.5 | Low | 50.1 | Low | 140 Ų | 140 | 125 Ų | 125 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -65.6 | 112.4 | 176.7 | 177.4 | 0 | 0 | 0 | 0 | 108 | G885 K889 | G885-V887 PolarHBondContact O-N 3.46Å; V887-K889 PolarHBondContact O-N 2.98Å | ||
| 888 | G | 50 | Low | 50.3 | Low | 64 Ų | 64 | 121.6 Ų | 121.6 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 129.1 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | E886 | E886-G888 PolarHBondContact O-N 3.22Š|
| 889 | K | 43.3 | Very low | 50.2 | Low | 197 Ų | 197 | 123.6 Ų | 123.6 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 135.7 | -179.1 | -63.8 | -179.3 | -178.7 | 177.3 | 0 | 109.9 | V887 G891 | V887-K889 PolarHBondContact O-N 2.98Å; K889-G891 PolarHBondContact O-N 2.91Å |
| 890 | P | 61.3 | Low | 50.3 | Low | 126 Ų | 126 | 124 Ų | 124 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 131.6 | 171.5 | -26.1 | 34.8 | 0 | 0 | 0 | 110.6 | ||
| 891 | G | 50.8 | Low | 50.3 | Low | 71 Ų | 71 | 129.6 Ų | 129.6 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 141.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K889 | K889-G891 PolarHBondContact O-N 2.91Š|
| 892 | E | 41.5 | Very low | 50 | Low | 189 Ų | 189 | 123.3 Ų | 123.3 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -62 | 135.9 | 176.4 | -64 | -173.1 | 142 | 0 | 0 | 110.6 | G894 | E892-G894 PolarHBondContact O-N 3.46Š|
| 893 | P | 64.5 | Low | 49.8 | Very low | 129 Ų | 129 | 124.6 Ų | 124.6 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 123.9 | 175.3 | -24.9 | 34.9 | 0 | 0 | 0 | 111.7 | ||
| 894 | G | 55.8 | Low | 49.3 | Very low | 63 Ų | 63 | 128 Ų | 128 | 65% | 0.649 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 146.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E892 | E892-G894 PolarHBondContact O-N 3.46Š|
| 895 | P | 46 | Very low | 48.8 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 139.3 | -176.1 | 26.5 | -34.7 | 0 | 0 | 0 | 112.1 | G897 | P895-G897 PolarHBondContact O-N 3.26Š|
| 896 | V | 53.9 | Low | 48.6 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 120.3 | -177.1 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 897 | G | 53.6 | Low | 48.6 | Very low | 56 Ų | 56 | 130.8 Ų | 130.8 | 58% | 0.577 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 149.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P895 | P895-G897 PolarHBondContact O-N 3.26Š|
| 898 | P | 43.3 | Very low | 48.2 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71 | 149.2 | -171.4 | 28.7 | -35.6 | 0 | 0 | 0 | 113.7 | G900 | P898-G900 PolarHBondContact O-N 2.92Š|
| 899 | I | 51.9 | Low | 48 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -69.3 | 112.8 | -176.5 | -61.9 | 172.2 | 0 | 0 | 0 | 111.4 | ||||
| 900 | G | 49.1 | Very low | 47.9 | Very low | 70 Ų | 70 | 132.8 Ų | 132.8 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71 | 140.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112 | P898 | P898-G900 PolarHBondContact O-N 2.92Š|
| 901 | R | 43.1 | Very low | 46.9 | Very low | 249 Ų | 249 | 134 Ų | 134 | 94% | 0.94 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 152.4 | -175.9 | -69 | -179.4 | 172.9 | -175.7 | -2.7 | 112.7 | ||
| 902 | A | 47.9 | Very low | 46.4 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 143.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 903 | G | 45.6 | Very low | 46.3 | Very low | 78 Ų | 78 | 128.7 Ų | 128.7 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 164.4 | 166 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 904 | M | 35.3 | Very low | 45.3 | Very low | 194 Ų | 194 | 129.6 Ų | 129.6 | 96% | 0.956 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 158.7 | -159.6 | -71 | 171.3 | 60.3 | 0 | 0 | 116.5 | ||
| 905 | R | 46.1 | Very low | 44.7 | Very low | 243 Ų | 243 | 130 Ų | 130 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 140.2 | -176.4 | 175.4 | -170.6 | -175.7 | -168.9 | 3.2 | 116.5 | ||
| 906 | G | 44.3 | Very low | 44.5 | Very low | 62 Ų | 62 | 130 Ų | 130 | 64% | 0.639 | 82% | 0.822 | S | S | * | * | trans | -115.6 | 161.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 907 | P | 39.9 | Very low | 44.3 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | -96.7 | 175.3 | -167.4 | 37.8 | -36.6 | 0 | 0 | 0 | 116.3 | ||||
| 908 | R | 45.4 | Very low | 43.9 | Very low | 258 Ų | 258 | 129.1 Ų | 129.1 | 97% | 0.974 | 82% | 0.821 | S | S | * | * | trans | -114.6 | 138.1 | -174 | 175.8 | -171.1 | -176.8 | -167.2 | 3 | 112.7 | ||||
| 909 | G | 44.5 | Very low | 43.8 | Very low | 67 Ų | 67 | 130.5 Ų | 130.5 | 69% | 0.691 | 82% | 0.821 | S | S | * | * | trans | 169.6 | 155.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 910 | S | 41.9 | Very low | 43.5 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | cis | -164.8 | 133.5 | -12.7 | 48.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 911 | V | 41.1 | Very low | 43.3 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 92% | 0.915 | 81% | 0.812 | S | S | * | * | trans | 8.1 | 133.1 | 156.7 | -173.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 912 | G | 39.6 | Very low | 43.2 | Very low | 78 Ų | 78 | 125 Ų | 125 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 107.1 | 147.1 | 137.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 913 | G | 39.5 | Very low | 43.1 | Very low | 70 Ų | 70 | 128.8 Ų | 128.8 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | cis | 156.2 | 149.5 | -13 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 914 | V | 44.7 | Very low | 43.2 | Very low | 148 Ų | 148 | 128.2 Ų | 128.2 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | 70.4 | 147.6 | 168.6 | -170.4 | 0 | 0 | 0 | 0 | 115.6 | V916 | V914-V916 HydrophobicContact CG1-CG2 3.83Š| ||
| 915 | G | 41.5 | Very low | 43.3 | Very low | 72 Ų | 72 | 126.8 Ų | 126.8 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | cis | 177.3 | -155.4 | -1.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 916 | V | 42.4 | Very low | 43.6 | Very low | 131 Ų | 131 | 120.8 Ų | 120.8 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | cis | -142.2 | -117.5 | -1.2 | -163.2 | 0 | 0 | 0 | 0 | 111.7 | V914 | V914-V916 HydrophobicContact CG1-CG2 3.83Š| ||
| 917 | P | 50.4 | Low | 43.5 | Very low | 118 Ų | 118 | 121.7 Ų | 121.7 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | trans | -137 | 160.8 | -154.4 | 45.3 | -24.5 | 0 | 0 | 0 | 122.3 | ||||
| 918 | G | 44.7 | Very low | 43.6 | Very low | 67 Ų | 67 | 119.8 Ų | 119.8 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | 83.8 | 161.4 | 136.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 919 | N | 41.6 | Very low | 43.9 | Very low | 161 Ų | 161 | 114 Ų | 114 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | cis | -167.2 | 164.2 | -9.9 | -107.2 | -17 | 0 | 0 | 0 | 113.6 | ||||
| 920 | K | 45.5 | Very low | 43.8 | Very low | 173 Ų | 173 | 114.6 Ų | 114.6 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | 73.4 | 150.1 | 167.2 | -162.1 | 177.8 | -178.5 | -171.2 | 0 | 116.6 | E922 | K920-E922 WeakPolarHBondContact CE-OE1 3.46Å; K920-E922 WeakPolarHBondContact CE-OE2 3.45Å; K920-E922 IonicContact NZ-OE1 2.76Å; K920-E922 IonicContact NZ-OE2 3.81Å; K920-E922 PolarHBondContact NZ-OE2 2.66Å | ||
| 921 | G | 43.8 | Very low | 44.1 | Very low | 61 Ų | 61 | 114.2 Ų | 114.2 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | cis | 164.1 | 179.9 | -10.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 922 | E | 42.4 | Very low | 44.4 | Very low | 135 Ų | 135 | 112 Ų | 112 | 63% | 0.631 | 79% | 0.785 | S | S | * | * | trans | 59.1 | 157.6 | 175.1 | -78.5 | 90.5 | -66.2 | 0 | 0 | 119.2 | K920 | K920-E922 WeakPolarHBondContact CE-OE1 3.46Å; K920-E922 WeakPolarHBondContact CE-OE2 3.45Å; K920-E922 IonicContact NZ-OE1 2.76Å; K920-E922 IonicContact NZ-OE2 3.81Å; K920-E922 PolarHBondContact NZ-OE2 2.66Å | ||
| 923 | Q | 44.5 | Very low | 44.2 | Very low | 183 Ų | 183 | 111.4 Ų | 111.4 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | cis | -167.1 | 139.7 | -27.3 | 172.4 | 172.4 | -11.6 | 0 | 0 | 111.6 | ||||
| 924 | G | 47.4 | Very low | 43.9 | Very low | 65 Ų | 65 | 117 Ų | 117 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | trans | 92 | 138.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 925 | L | 38.7 | Very low | 43.9 | Very low | 165 Ų | 165 | 116.7 Ų | 116.7 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | cis | -134 | 104.5 | 1.3 | -78.5 | 173.8 | 0 | 0 | 0 | 113.2 | ||||
| 926 | S | 52.1 | Low | 43.9 | Very low | 116 Ų | 116 | 115.9 Ų | 115.9 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | 38.6 | 123.9 | 134.3 | 59.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 927 | G | 41.1 | Very low | 44.5 | Very low | 81 Ų | 81 | 116.3 Ų | 116.3 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | 154.4 | 120.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 928 | A | 43.4 | Very low | 44.1 | Very low | 96 Ų | 96 | 122.6 Ų | 122.6 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | cis | -143.3 | 167.1 | -6.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 929 | P | 51 | Low | 44.1 | Very low | 136 Ų | 136 | 122.9 Ų | 122.9 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -79.7 | 166.3 | -160.9 | -15.9 | 32 | 0 | 0 | 0 | 116.9 | ||||
| 930 | G | 43.6 | Very low | 43.9 | Very low | 80 Ų | 80 | 122.8 Ų | 122.8 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | -124 | -162.5 | 166 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 931 | S | 47.5 | Very low | 43.9 | Very low | 111 Ų | 111 | 120.8 Ų | 120.8 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -138.1 | 127.2 | 175.7 | 50.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 932 | A | 46.8 | Very low | 43.9 | Very low | 106 Ų | 106 | 121.7 Ų | 121.7 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | 57.9 | 137.7 | 91.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 933 | G | 35.9 | Very low | 43.6 | Very low | 64 Ų | 64 | 124.2 Ų | 124.2 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | cis | 145.3 | 113.8 | 9.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 934 | E | 34.2 | Very low | 44.1 | Very low | 189 Ų | 189 | 121.1 Ų | 121.1 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | 72.2 | 148.4 | 114.4 | -73 | -155.9 | 119.7 | 0 | 0 | 117.6 | |||||
| 935 | T | 44.5 | Very low | 43.9 | Very low | 141 Ų | 141 | 121.7 Ų | 121.7 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | trans | 68 | 137.5 | 170 | -45.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 936 | G | 41.7 | Very low | 44.2 | Very low | 55 Ų | 55 | 121.4 Ų | 121.4 | 57% | 0.567 | 82% | 0.82 | S | S | * | * | cis | 139 | 126.1 | 2.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | R938 | G936-R938 PolarHBondContact O-N 2.79Š| ||
| 937 | P | 53 | Low | 44.4 | Very low | 139 Ų | 139 | 121.5 Ų | 121.5 | 90% | 0.903 | 82% | 0.817 | S | S | * | * | trans | -84.3 | 105.4 | -163.6 | 31.1 | -35 | 0 | 0 | 0 | 113.7 | ||||
| 938 | R | 42 | Very low | 44.7 | Very low | 251 Ų | 251 | 121 Ų | 121 | 95% | 0.947 | 81% | 0.812 | S | S | * | * | trans | -165.2 | 139.7 | 156.1 | -163.3 | 171.3 | -174.9 | 170.4 | 2.1 | 114 | G936 | G936-R938 PolarHBondContact O-N 2.79Š| ||
| 939 | G | 46.3 | Very low | 44.6 | Very low | 72 Ų | 72 | 125.4 Ų | 125.4 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | 123.6 | 108.9 | 149.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 940 | D | 37.6 | Very low | 44.8 | Very low | 159 Ų | 159 | 126.7 Ų | 126.7 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | -92.7 | 146.4 | 173.7 | -61.6 | -67.6 | 0 | 0 | 0 | 112.7 | ||||
| 941 | S | 44.5 | Very low | 44.7 | Very low | 131 Ų | 131 | 126.3 Ų | 126.3 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | 72.1 | 129.9 | 156 | -60.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 942 | G | 43.7 | Very low | 44.7 | Very low | 80 Ų | 80 | 132.7 Ų | 132.7 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | 163.7 | 86.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 943 | E | 36.4 | Very low | 45.2 | Very low | 188 Ų | 188 | 134.1 Ų | 134.1 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -94.9 | -173.6 | -176.9 | -57.7 | -179.4 | 84.3 | 0 | 0 | 113.2 | ||||
| 944 | P | 55.1 | Low | 45.8 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | -129.4 | 178.7 | -69.4 | 39.1 | -23.9 | 0 | 0 | 0 | 113.7 | |||||
| 945 | G | 43.4 | Very low | 46.4 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | -153.5 | 58.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 946 | I | 44.6 | Very low | 46.6 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 82% | 0.815 | 83% | 0.827 | S | S | * | * | trans | -34.8 | 171.4 | 160.8 | 37.4 | 164.4 | 0 | 0 | 0 | 118.8 | ||||
| 947 | P | 56.4 | Low | 47 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 76% | 0.76 | 83% | 0.833 | S | S | * | * | cis | -143.3 | 170.8 | -18.6 | 34 | -13.9 | 0 | 0 | 0 | 117.5 | ||||
| 948 | G | 48.1 | Very low | 46.3 | Very low | 70 Ų | 70 | 141.6 Ų | 141.6 | 72% | 0.722 | 83% | 0.832 | S | S | * | * | trans | 114.7 | 155 | 140.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 949 | K | 41.2 | Very low | 47.4 | Very low | 189 Ų | 189 | 135.7 Ų | 135.7 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | cis | -149.9 | 139.1 | 4.3 | -54 | 177.4 | -169.6 | 176.7 | 0 | 112.1 | ||||
| 950 | D | 53.6 | Low | 47.6 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | trans | 52.4 | 149.4 | 147.1 | -50.3 | -36.7 | 0 | 0 | 0 | 122.2 | ||||
| 951 | G | 43.4 | Very low | 48.1 | Very low | 72 Ų | 72 | 134.2 Ų | 134.2 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | cis | -154.1 | 168.6 | 8.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 952 | R | 46.7 | Very low | 48.6 | Very low | 246 Ų | 246 | 138 Ų | 138 | 93% | 0.928 | 82% | 0.823 | S | S | * | * | trans | -105.1 | 160.9 | 175 | -51 | 170.2 | 173.4 | 161.8 | -4.3 | 108.9 | ||||
| 953 | P | 56.8 | Low | 48.9 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | -141.7 | -177.9 | 75.1 | 29 | -6.6 | 0 | 0 | 0 | 112.7 | |||||
| 954 | G | 47.7 | Very low | 49 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | cis | -170.3 | 173.5 | 0.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 955 | K | 47.4 | Very low | 49.2 | Very low | 216 Ų | 216 | 133.3 Ų | 133.3 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | trans | -104.3 | 159 | -175.4 | -58.2 | -178 | -179.1 | -176.2 | 0 | 113 | ||||
| 956 | Q | 49.5 | Very low | 49.5 | Very low | 198 Ų | 198 | 133.2 Ų | 133.2 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | -129.6 | 149.4 | 142.2 | -170 | 163.4 | -5.5 | 0 | 0 | 109.6 | ||||
| 957 | G | 49.3 | Very low | 49.3 | Very low | 66 Ų | 66 | 129.6 Ų | 129.6 | 68% | 0.68 | 82% | 0.816 | S | S | * | * | trans | -100.5 | 177.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 958 | E | 37.9 | Very low | 49 | Very low | 190 Ų | 190 | 134 Ų | 134 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 135.7 | -173.7 | -59.2 | -178.6 | 129.7 | 0 | 0 | 113.8 | ||
| 959 | P | 64.9 | Low | 49.4 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 123.7 | 157.9 | -14.4 | 30.3 | 0 | 0 | 0 | 110.1 | ||
| 960 | G | 50.9 | Low | 49.6 | Very low | 60 Ų | 60 | 130.8 Ų | 130.8 | 62% | 0.619 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 163.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K962 | G960-K962 PolarHBondContact O-N 3.08Å; G960-K962 VanDerWaalsContact O-N 3.1Å |
| 961 | P | 48.4 | Very low | 50 | Low | 140 Ų | 140 | 129.7 Ų | 129.7 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | -63.3 | 112.2 | -176.8 | 25.9 | -34.5 | 0 | 0 | 0 | 111.6 | ||||
| 962 | K | 54.4 | Low | 50.7 | Low | 209 Ų | 209 | 128.6 Ų | 128.6 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 127.8 | 176.6 | -168.8 | 173.7 | -177.9 | 177.8 | 0 | 110 | G960 | G960-K962 PolarHBondContact O-N 3.08Å; G960-K962 VanDerWaalsContact O-N 3.1Å |
| 963 | G | 50.5 | Low | 51.1 | Low | 63 Ų | 63 | 122.8 Ų | 122.8 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -59 | 152.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P965 | G963-P965 WeakPolarHBondContact O-CD 3.29Š|
| 964 | A | 39.8 | Very low | 51.5 | Low | 101 Ų | 101 | 122.3 Ų | 122.3 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 122.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 965 | P | 59.1 | Low | 51.6 | Low | 126 Ų | 126 | 121.5 Ų | 121.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 145 | 166.1 | -18.3 | 33.2 | 0 | 0 | 0 | 111.2 | G963 | G963-P965 WeakPolarHBondContact O-CD 3.29Š|
| 966 | G | 49.4 | Very low | 51.7 | Low | 74 Ų | 74 | 117.1 Ų | 117.1 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 150 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 967 | G | 40.2 | Very low | 52.3 | Low | 84 Ų | 84 | 113.7 Ų | 113.7 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 139 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 968 | K | 50 | Low | 52.3 | Low | 208 Ų | 208 | 113.7 Ų | 113.7 | 90% | 0.904 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -81 | 147.1 | 164.5 | -78.1 | -174.7 | 172 | -178.2 | 0 | 109.9 | ||
| 969 | G | 56.3 | Low | 52.6 | Low | 61 Ų | 61 | 113 Ų | 113 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | trans | -64.9 | 174.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T971 | G969-T971 PolarHBondContact O-N 2.83Š| ||
| 970 | P | 46.3 | Very low | 52.1 | Low | 132 Ų | 132 | 114.8 Ų | 114.8 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -58 | 126.4 | -176.5 | 24.7 | -34.4 | 0 | 0 | 0 | 111.2 | G972 | P970-G972 PolarHBondContact O-N 2.86Š|
| 971 | T | 61.3 | Low | 52.1 | Low | 139 Ų | 139 | 114.5 Ų | 114.5 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 129.5 | 169.3 | -49.4 | 0 | 0 | 0 | 0 | 108.7 | G969 | G969-T971 PolarHBondContact O-N 2.83Š|
| 972 | G | 58.4 | Low | 52 | Low | 49 Ų | 49 | 114 Ų | 114 | 51% | 0.505 | 78% | 0.777 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 156.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P970 | P970-G972 PolarHBondContact O-N 2.86Š|
| 973 | P | 54.4 | Low | 51.9 | Low | 125 Ų | 125 | 110.5 Ų | 110.5 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 133.6 | 178.3 | 24.1 | -33.8 | 0 | 0 | 0 | 109.7 | G975 | P973-G975 PolarHBondContact O-N 2.88Š|
| 974 | P | 65.4 | Low | 51.8 | Low | 125 Ų | 125 | 110.4 Ų | 110.4 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 140.1 | 175.9 | -27.4 | 35.2 | 0 | 0 | 0 | 111 | ||
| 975 | G | 50 | Low | 51.9 | Low | 58 Ų | 58 | 116.4 Ų | 116.4 | 60% | 0.598 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 152.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | P973 | P973-G975 PolarHBondContact O-N 2.88Š|
| 976 | P | 49.3 | Very low | 51.7 | Low | 124 Ų | 124 | 116.2 Ų | 116.2 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 137.6 | 175.9 | 25 | -34.1 | 0 | 0 | 0 | 109.3 | G978 | P976-G978 PolarHBondContact O-N 2.82Š|
| 977 | P | 62.2 | Low | 51.7 | Low | 126 Ų | 126 | 116.1 Ų | 116.1 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -49.9 | 132.1 | 178.6 | -28.7 | 35.4 | 0 | 0 | 0 | 111 | L979 | P977-L979 PolarHBondContact O-N 3.22Š|
| 978 | G | 49.9 | Very low | 51.7 | Low | 66 Ų | 66 | 120.1 Ų | 120.1 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 138.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | P976 D980 | P976-G978 PolarHBondContact O-N 2.82Å; G978-D980 PolarHBondContact O-N 3.21Å |
| 979 | L | 43.6 | Very low | 51.7 | Low | 176 Ų | 176 | 119.6 Ų | 119.6 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 131.1 | 176.1 | -65.3 | 172.8 | 0 | 0 | 0 | 109.2 | P977 G981 | P977-L979 PolarHBondContact O-N 3.22Å; L979-G981 PolarHBondContact O-N 3.38Å; L979-G981 VanDerWaalsContact O-N 3.07Å |
| 980 | D | 54.3 | Low | 51.7 | Low | 164 Ų | 164 | 119.3 Ų | 119.3 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 117.8 | -174.6 | -67 | -61.1 | 0 | 0 | 0 | 110.6 | G978 | G978-D980 PolarHBondContact O-N 3.21Š|
| 981 | G | 51.1 | Low | 51.6 | Low | 55 Ų | 55 | 118.3 Ų | 118.3 | 57% | 0.567 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 143.8 | 171 | 0 | 0 | 0 | 0 | 0 | 109.3 | L979 V983 | L979-G981 PolarHBondContact O-N 3.38Å; L979-G981 VanDerWaalsContact O-N 3.07Å; G981-V983 PolarHBondContact O-N 3.27Å; G981-V983 VanDerWaalsContact O-N 3.12Å |
| 982 | P | 46.6 | Very low | 51.6 | Low | 130 Ų | 130 | 122.3 Ų | 122.3 | 84% | 0.844 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 124.5 | 179.5 | 23.7 | -33.7 | 0 | 0 | 0 | 109.3 | G984 | P982-G984 PolarHBondContact O-N 2.8Š|
| 983 | V | 52.7 | Low | 51.6 | Low | 135 Ų | 135 | 122.4 Ų | 122.4 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -52.7 | 113.5 | -172.6 | 176.4 | 0 | 0 | 0 | 0 | 109.4 | G981 Y985 | G981-V983 PolarHBondContact O-N 3.27Å; G981-V983 VanDerWaalsContact O-N 3.12Å; V983-Y985 PolarHBondContact O-N 3.37Å | ||
| 984 | G | 48 | Very low | 51.1 | Low | 61 Ų | 61 | 122.9 Ų | 122.9 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 129.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110 | P982 | P982-G984 PolarHBondContact O-N 2.8Š|
| 985 | Y | 41.9 | Very low | 50.9 | Low | 226 Ų | 226 | 121.4 Ų | 121.4 | 89% | 0.886 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 128.6 | 179.1 | -65.6 | -80.2 | 0 | 0 | 0 | 110.3 | V983 G987 | V983-Y985 PolarHBondContact O-N 3.37Å; Y985-G987 PolarHBondContact O-N 2.03Å |
| 986 | P | 54.1 | Low | 51.3 | Low | 122 Ų | 122 | 121.4 Ų | 121.4 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 124.7 | 176.8 | -26.5 | 35.1 | 0 | 0 | 0 | 110.5 | ||
| 987 | G | 50.4 | Low | 51.2 | Low | 73 Ų | 73 | 121.9 Ų | 121.9 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 139.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y985 Q989 | Y985-G987 PolarHBondContact O-N 2.03Å; G987-Q989 PolarHBondContact O-N 2.78Å |
| 988 | D | 39.8 | Very low | 51.1 | Low | 167 Ų | 167 | 122.7 Ų | 122.7 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 123.6 | -176.6 | -70 | -51.9 | 0 | 0 | 0 | 112.1 | G990 | D988-G990 PolarHBondContact O-N 2.9Å; D988-G990 VanDerWaalsContact O-N 3.15Å |
| 989 | Q | 50.5 | Low | 51.3 | Low | 197 Ų | 197 | 122.7 Ų | 122.7 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 116.9 | -179.3 | -166.6 | 172.7 | 47.6 | 0 | 0 | 109.8 | G987 | G987-Q989 PolarHBondContact O-N 2.78Š|
| 990 | G | 55 | Low | 51.2 | Low | 55 Ų | 55 | 123.9 Ų | 123.9 | 57% | 0.567 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 149.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D988 R992 | D988-G990 PolarHBondContact O-N 2.9Å; D988-G990 VanDerWaalsContact O-N 3.15Å; G990-R992 PolarHBondContact O-N 2.94Å; G990-R992 VanDerWaalsContact O-N 3.15Å |
| 991 | P | 45.2 | Very low | 51.4 | Low | 112 Ų | 112 | 127.6 Ų | 127.6 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 121.4 | -171.9 | 24.3 | -34.4 | 0 | 0 | 0 | 111.3 | G993 | P991-G993 PolarHBondContact O-N 2.79Š|
| 992 | R | 61.2 | Low | 51.8 | Low | 223 Ų | 223 | 127.7 Ų | 127.7 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 121.6 | 176.7 | -178.2 | 177.6 | 176.6 | 173.1 | 0.4 | 110.2 | G990 | G990-R992 PolarHBondContact O-N 2.94Å; G990-R992 VanDerWaalsContact O-N 3.15Å |
| 993 | G | 59.2 | Low | 52 | Low | 50 Ų | 50 | 128 Ų | 128 | 52% | 0.515 | 77% | 0.772 | S | S | . | * | P | Polyproline II helix | trans | -59.3 | 156.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P991 S995 | P991-G993 PolarHBondContact O-N 2.79Å; G993-S995 PolarHBondContact O-N 3.03Å |
| 994 | P | 43.3 | Very low | 52 | Low | 135 Ų | 135 | 130.3 Ų | 130.3 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 132.5 | 179.7 | 25.6 | -34.2 | 0 | 0 | 0 | 110.5 | G996 | P994-G996 PolarHBondContact O-N 3.17Š|
| 995 | S | 60.2 | Low | 52 | Low | 95 Ų | 95 | 130.7 Ų | 130.7 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 132.3 | 176.6 | -61.3 | 0 | 0 | 0 | 0 | 110.5 | G993 | G993-S995 PolarHBondContact O-N 3.03Š|
| 996 | G | 60 | Low | 52.3 | Low | 58 Ų | 58 | 125.1 Ų | 125.1 | 60% | 0.598 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 162.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112 | P994 | P994-G996 PolarHBondContact O-N 3.17Š|
| 997 | P | 45.5 | Very low | 52 | Low | 134 Ų | 134 | 131 Ų | 131 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 144.4 | -179.8 | 26 | -34.5 | 0 | 0 | 0 | 111.7 | G999 | P997-G999 PolarHBondContact O-N 3.21Š|
| 998 | V | 60.7 | Low | 51.9 | Low | 142 Ų | 142 | 130.7 Ų | 130.7 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 124.3 | 178 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 999 | G | 53.5 | Low | 52.2 | Low | 66 Ų | 66 | 129 Ų | 129 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 142.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P997 R1001 | P997-G999 PolarHBondContact O-N 3.21Å; G999-R1001 PolarHBondContact O-N 2.98Å |
| 1000 | E | 42.8 | Very low | 51.9 | Low | 201 Ų | 201 | 131.9 Ų | 131.9 | 94% | 0.939 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 133 | -173.2 | -62.1 | -173 | 133.8 | 0 | 0 | 112.8 | ||
| 1001 | R | 57.9 | Low | 51.4 | Low | 243 Ų | 243 | 132 Ų | 132 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 123.2 | 170.4 | 178.9 | -179.2 | -71.9 | -174.7 | -2.4 | 109 | G999 | G999-R1001 PolarHBondContact O-N 2.98Š|
| 1002 | G | 59.6 | Low | 51.2 | Low | 57 Ų | 57 | 135.1 Ų | 135.1 | 59% | 0.588 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 152.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1003 | P | 51.2 | Low | 50.5 | Low | 135 Ų | 135 | 136.1 Ų | 136.1 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 146.8 | -165.3 | 26 | -35.2 | 0 | 0 | 0 | 114.4 | ||
| 1004 | M | 51.2 | Low | 50 | Low | 185 Ų | 185 | 136.5 Ų | 136.5 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 138.4 | 177.4 | -179.7 | 172.2 | 62.5 | 0 | 0 | 111.9 | ||
| 1005 | G | 49.9 | Very low | 49.8 | Very low | 69 Ų | 69 | 137.5 Ų | 137.5 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 149.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1006 | A | 47.5 | Very low | 49.7 | Very low | 108 Ų | 108 | 139 Ų | 139 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 155 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1007 | R | 47.4 | Very low | 49 | Very low | 245 Ų | 245 | 139.7 Ų | 139.7 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 129.8 | -176 | 178.4 | -179.2 | -176.1 | 170.6 | 5.8 | 112.7 | ||
| 1008 | G | 48.5 | Very low | 48.8 | Very low | 68 Ų | 68 | 142.6 Ų | 142.6 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 152.4 | 169 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1009 | S | 45.2 | Very low | 48.5 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 166.5 | -168.5 | 50.1 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1010 | R | 44.8 | Very low | 48.7 | Very low | 258 Ų | 258 | 142.3 Ų | 142.3 | 97% | 0.974 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 135.2 | -176.2 | 174.3 | -171.6 | -176.7 | 177.5 | 3.6 | 112.2 | ||
| 1011 | G | 44.1 | Very low | 48.9 | Very low | 57 Ų | 57 | 138.9 Ų | 138.9 | 59% | 0.588 | 81% | 0.813 | S | S | * | * | trans | 177.5 | 141.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1012 | D | 42 | Very low | 48.7 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 95% | 0.952 | 81% | 0.814 | S | S | * | * | cis | -136.7 | -168.3 | -1.5 | -79.3 | -46.7 | 0 | 0 | 0 | 111.4 | ||||
| 1013 | R | 45.3 | Very low | 48.6 | Very low | 244 Ų | 244 | 135.6 Ų | 135.6 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -120.6 | 125.8 | -172.4 | 177.7 | -170.9 | -179.5 | -177 | 1.2 | 112.3 | ||||
| 1014 | G | 49.3 | Very low | 48.6 | Very low | 59 Ų | 59 | 134.9 Ų | 134.9 | 61% | 0.608 | 81% | 0.807 | S | S | * | * | trans | -176.8 | 150.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1015 | D | 40.2 | Very low | 48.9 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | cis | -141.9 | 161.6 | -11.8 | -80.6 | -47.3 | 0 | 0 | 0 | 109.4 | ||||
| 1016 | P | 58.3 | Low | 49.3 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -86.4 | 114.5 | -173.6 | -6.3 | 25.7 | 0 | 0 | 0 | 113.6 | ||||
| 1017 | G | 44 | Very low | 49.6 | Very low | 72 Ų | 72 | 138.6 Ų | 138.6 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 175.9 | 152.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1018 | E | 40.9 | Very low | 50.2 | Low | 196 Ų | 196 | 134.5 Ų | 134.5 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | cis | -118 | 176.3 | -4.4 | -63.3 | -174.4 | 122.1 | 0 | 0 | 110.8 | G1020 | E1018-G1020 PolarHBondContact O-N 2.74Š| ||
| 1019 | V | 54.2 | Low | 50.5 | Low | 148 Ų | 148 | 134.7 Ų | 134.7 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -77.3 | 114.3 | 175.2 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1020 | G | 57.9 | Low | 50.8 | Low | 54 Ų | 54 | 137.8 Ų | 137.8 | 56% | 0.557 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 156.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1018 | E1018-G1020 PolarHBondContact O-N 2.74Š|
| 1021 | P | 48.3 | Very low | 51.5 | Low | 128 Ų | 128 | 133.4 Ų | 133.4 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67 | 163.8 | -174.9 | 28.5 | -36 | 0 | 0 | 0 | 113.5 | G1023 | P1021-G1023 PolarHBondContact O-N 3.11Š|
| 1022 | L | 52.1 | Low | 52.3 | Low | 178 Ų | 178 | 133.3 Ų | 133.3 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 133.8 | 176.9 | -170.2 | 68.9 | 0 | 0 | 0 | 111.2 | ||
| 1023 | G | 57.5 | Low | 53 | Low | 53 Ų | 53 | 130.5 Ų | 130.5 | 55% | 0.546 | 79% | 0.789 | S | S | . | * | P | Polyproline II helix | trans | -61.6 | 157.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | P1021 | P1021-G1023 PolarHBondContact O-N 3.11Š|
| 1024 | P | 52.5 | Low | 53.9 | Low | 120 Ų | 120 | 124.5 Ų | 124.5 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 157 | 174.4 | 28.7 | -35.8 | 0 | 0 | 0 | 110.9 | ||
| 1025 | P | 58.2 | Low | 54.4 | Low | 123 Ų | 123 | 124.7 Ų | 124.7 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 144.4 | 170.2 | -26 | 35 | 0 | 0 | 0 | 111.3 | R1027 | P1025-R1027 PolarHBondContact O-N 3.09Š|
| 1026 | G | 56.4 | Low | 54.9 | Low | 75 Ų | 75 | 123.3 Ų | 123.3 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 138.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | D1028 | G1026-D1028 PolarHBondContact O-N 2.84Š|
| 1027 | R | 54.4 | Low | 54.7 | Low | 243 Ų | 243 | 125.6 Ų | 125.6 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 140.7 | 171.9 | -68 | 179.8 | 174 | -173.4 | -3.1 | 108.7 | P1025 G1029 | P1025-R1027 PolarHBondContact O-N 3.09Å; R1027-G1029 PolarHBondContact O-N 2.62Å |
| 1028 | D | 59.9 | Low | 55.1 | Low | 159 Ų | 159 | 125.1 Ų | 125.1 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -50 | 134.5 | 163.9 | -64.3 | -57.2 | 0 | 0 | 0 | 108.5 | G1026 E1030 | G1026-D1028 PolarHBondContact O-N 2.84Å; D1028-E1030 PolarHBondContact O-N 3.34Å |
| 1029 | G | 56.1 | Low | 55.4 | Low | 71 Ų | 71 | 125 Ų | 125 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 141.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | R1027 L1031 | R1027-G1029 PolarHBondContact O-N 2.62Å; G1029-L1031 PolarHBondContact O-N 3.33Å; G1029-L1031 VanDerWaalsContact O-N 3.14Å |
| 1030 | E | 49.9 | Very low | 55.5 | Low | 195 Ų | 195 | 122.9 Ų | 122.9 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 125.2 | -177.7 | -67.5 | -171.8 | 138.6 | 0 | 0 | 110 | D1028 G1032 | D1028-E1030 PolarHBondContact O-N 3.34Å; E1030-G1032 PolarHBondContact O-N 3.41Å |
| 1031 | L | 59.3 | Low | 55.3 | Low | 167 Ų | 167 | 123.2 Ų | 123.2 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 117.8 | 179.3 | -158.9 | 84 | 0 | 0 | 0 | 107.1 | G1029 | G1029-L1031 PolarHBondContact O-N 3.33Å; G1029-L1031 VanDerWaalsContact O-N 3.14Å |
| 1032 | G | 62.5 | Low | 55.5 | Low | 54 Ų | 54 | 122.7 Ų | 122.7 | 56% | 0.557 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 137.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | E1030 | E1030-G1032 PolarHBondContact O-N 3.41Š|
| 1033 | P | 56 | Low | 55.5 | Low | 119 Ų | 119 | 120.2 Ų | 120.2 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 133.2 | -169.4 | 20.4 | -32.9 | 0 | 0 | 0 | 109.7 | G1035 | P1033-G1035 PolarHBondContact O-N 2.73Š|
| 1034 | P | 64.1 | Low | 54.9 | Low | 118 Ų | 118 | 121 Ų | 121 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 128.7 | 179.2 | -29.1 | 35.2 | 0 | 0 | 0 | 110.2 | ||
| 1035 | G | 59.3 | Low | 54.9 | Low | 63 Ų | 63 | 123.2 Ų | 123.2 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -50 | 135.3 | 180 | 0 | 0 | 0 | 0 | 0 | 109.5 | P1033 Q1037 | P1033-G1035 PolarHBondContact O-N 2.73Å; G1035-Q1037 PolarHBondContact O-N 2.93Å; G1035-Q1037 VanDerWaalsContact O-N 3.13Å |
| 1036 | P | 51.8 | Low | 54.3 | Low | 127 Ų | 127 | 123.2 Ų | 123.2 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 125 | -167.1 | 20.4 | -33.1 | 0 | 0 | 0 | 109.8 | G1038 | P1036-G1038 PolarHBondContact O-N 3.13Å; P1036-G1038 VanDerWaalsContact O-N 3.08Å |
| 1037 | Q | 54.4 | Low | 53.5 | Low | 174 Ų | 174 | 122.5 Ų | 122.5 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 121.5 | -179 | -179.2 | 175.5 | -6.6 | 0 | 0 | 108.3 | G1035 Q1039 | G1035-Q1037 PolarHBondContact O-N 2.93Å; G1035-Q1037 VanDerWaalsContact O-N 3.13Å; Q1037-Q1039 PolarHBondContact O-N 3.49Å |
| 1038 | G | 52.1 | Low | 52.8 | Low | 63 Ų | 63 | 116.5 Ų | 116.5 | 65% | 0.649 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -50 | 131.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | P1036 S1040 | P1036-G1038 PolarHBondContact O-N 3.13Å; P1036-G1038 VanDerWaalsContact O-N 3.08Å; G1038-S1040 PolarHBondContact O-N 3.12Å; G1038-S1040 VanDerWaalsContact O-N 3.15Å |
| 1039 | Q | 47.5 | Very low | 51.6 | Low | 194 Ų | 194 | 114.7 Ų | 114.7 | 91% | 0.907 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 125 | -171.3 | -71.6 | -177.6 | -7.7 | 0 | 0 | 109.9 | Q1037 G1041 | Q1037-Q1039 PolarHBondContact O-N 3.49Å; Q1039-G1041 PolarHBondContact O-N 3.17Å |
| 1040 | S | 55.1 | Low | 50.6 | Low | 103 Ų | 103 | 114.4 Ų | 114.4 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 127.3 | 171.7 | -52.3 | 0 | 0 | 0 | 0 | 108 | G1038 | G1038-S1040 PolarHBondContact O-N 3.12Å; G1038-S1040 VanDerWaalsContact O-N 3.15Å |
| 1041 | G | 53.1 | Low | 49.8 | Very low | 60 Ų | 60 | 112.9 Ų | 112.9 | 62% | 0.619 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 143.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q1039 | Q1039-G1041 PolarHBondContact O-N 3.17Š|
| 1042 | P | 52.5 | Low | 48.5 | Very low | 118 Ų | 118 | 112.6 Ų | 112.6 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 136.7 | -177.9 | 23 | -33.7 | 0 | 0 | 0 | 109.1 | G1044 | P1042-G1044 PolarHBondContact O-N 2.86Å; P1042-G1044 VanDerWaalsContact O-N 3.17Å |
| 1043 | P | 53.1 | Low | 47.1 | Very low | 126 Ų | 126 | 112 Ų | 112 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 127.9 | 175.9 | -27.5 | 34.8 | 0 | 0 | 0 | 109.6 | L1045 | P1043-L1045 PolarHBondContact O-N 3.37Š|
| 1044 | G | 45.4 | Very low | 46 | Very low | 68 Ų | 68 | 110.2 Ų | 110.2 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 136.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | P1042 | P1042-G1044 PolarHBondContact O-N 2.86Å; P1042-G1044 VanDerWaalsContact O-N 3.17Å |
| 1045 | L | 51.5 | Low | 44.7 | Very low | 168 Ų | 168 | 108.1 Ų | 108.1 | 88% | 0.88 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 127.5 | -179.3 | -72.7 | 171.9 | 0 | 0 | 0 | 109.1 | P1043 G1047 | P1043-L1045 PolarHBondContact O-N 3.37Å; L1045-G1047 PolarHBondContact O-N 3Å |
| 1046 | P | 45.7 | Very low | 43.6 | Very low | 122 Ų | 122 | 114.8 Ų | 114.8 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 118.9 | 178.9 | -28.2 | 35 | 0 | 0 | 0 | 109.4 | ||
| 1047 | G | 39.9 | Very low | 42.8 | Very low | 60 Ų | 60 | 112 Ų | 112 | 62% | 0.619 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 134.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | L1045 | L1045-G1047 PolarHBondContact O-N 3Š|
| 1048 | P | 40.5 | Very low | 42.1 | Very low | 118 Ų | 118 | 109.8 Ų | 109.8 | 77% | 0.766 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 130.2 | -173.2 | 21.6 | -33.3 | 0 | 0 | 0 | 108.9 | G1050 | P1048-G1050 PolarHBondContact O-N 2.93Š|
| 1049 | P | 34.9 | Very low | 41.3 | Very low | 121 Ų | 121 | 111.2 Ų | 111.2 | 79% | 0.786 | 69% | 0.694 | S | S | * | * | trans | -53.7 | 114.3 | -163.1 | 19.3 | -32.9 | 0 | 0 | 0 | 109.5 | Q1051 | P1049-Q1051 PolarHBondContact O-N 2.98Š| ||
| 1050 | G | 33.2 | Very low | 40.8 | Very low | 65 Ų | 65 | 107.1 Ų | 107.1 | 67% | 0.67 | 69% | 0.687 | S | S | * | * | trans | -55.2 | 106.3 | -163.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P1048 I1052 | P1048-G1050 PolarHBondContact O-N 2.93Å; G1050-I1052 PolarHBondContact O-N 3Å | ||
| 1051 | Q | 33.8 | Very low | 40 | Very low | 162 Ų | 162 | 111.7 Ų | 111.7 | 76% | 0.757 | 69% | 0.689 | S | S | * | * | trans | -70.6 | 83.3 | 173.3 | -73.3 | -164.5 | 4.1 | 0 | 0 | 108.4 | P1049 V1053 | P1049-Q1051 PolarHBondContact O-N 2.98Å; Q1051-V1053 HydrophobicContact CB-CG2 3.96Å; Q1051-V1053 PolarHBondContact O-N 2.87Å | ||
| 1052 | I | 33 | Very low | 39.4 | Very low | 162 Ų | 162 | 112.5 Ų | 112.5 | 83% | 0.831 | 68% | 0.682 | S | S | * | * | trans | -67.7 | 68.2 | 159 | -49.7 | 176.7 | 0 | 0 | 0 | 106.6 | G1050 S1054 | G1050-I1052 PolarHBondContact O-N 3Å; I1052-S1054 PolarHBondContact O-N 3.17Å; I1052-S1054 VanDerWaalsContact O-N 3.14Å | ||
| 1053 | V | 32.2 | Very low | 38.5 | Very low | 41 Ų | 41 | 115.7 Ų | 115.7 | 25% | 0.248 | 68% | 0.683 | C | S | . | * | trans | -60.9 | 118.4 | 167.2 | -175 | 0 | 0 | 0 | 0 | 105.4 | Q1051 M1055 | Q1051-V1053 HydrophobicContact CB-CG2 3.96Å; Q1051-V1053 PolarHBondContact O-N 2.87Å; V1053-M1055 PolarHBondContact O-N 2.95Å | ||
| 1054 | S | 33.3 | Very low | 37.5 | Very low | 82 Ų | 82 | 112.6 Ų | 112.6 | 57% | 0.573 | 68% | 0.675 | S | S | * | * | trans | -59.4 | 96.2 | -177.2 | 45.5 | 0 | 0 | 0 | 0 | 110.2 | I1052 Q1056 A1057 | I1052-S1054 PolarHBondContact O-N 3.17Å; I1052-S1054 VanDerWaalsContact O-N 3.14Å; S1054-Q1056 PolarHBondContact O-N 3.34Å; S1054-A1057 WeakPolarHBondContact O-CB 3.44Å; S1054-A1057 PolarHBondContact O-N 2.84Å | ||
| 1055 | M | 37 | Very low | 37.2 | Very low | 74 Ų | 74 | 116.5 Ų | 116.5 | 37% | 0.365 | 68% | 0.678 | S | S | . | * | G | 310 helix | trans | -64.4 | -16.4 | -165.6 | -92.9 | -76.7 | 162.2 | 0 | 0 | 114.2 | V1053 A1057 R1058 L1182 | V1053-M1055 PolarHBondContact O-N 2.95Å; M1055-A1057 PolarHBondContact O-N 3.38Å; M1055-R1058 HydrophobicContact CE-CB 4.24Å; M1055-R1058 PolarHBondContact O-N 3.34Å; M1055-R1058 HydrophobicContact SD-CB 3.78Å; M1055-L1182 HydrophobicContact CE-CD1 3.76Å; M1055-L1182 HydrophobicContact CE-CD2 3.71Å; M1055-L1182 HydrophobicContact CE-CG 3.49Å; M1055-L1182 VanDerWaalsContact CE-CG 3.49Å; M1055-L1182 HydrophobicContact CG-CD1 4.34Å |
| 1056 | Q | 36.3 | Very low | 36.7 | Very low | 202 Ų | 202 | 111.1 Ų | 111.1 | 94% | 0.944 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -54.7 | -18.1 | 165.9 | -68.6 | 178.7 | -15.2 | 0 | 0 | 113.4 | S1054 | S1054-Q1056 PolarHBondContact O-N 3.34Š|
| 1057 | A | 34.8 | Very low | 36.5 | Very low | 68 Ų | 68 | 108.5 Ų | 108.5 | 56% | 0.562 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -98.9 | -6.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1054 M1055 | S1054-A1057 WeakPolarHBondContact O-CB 3.44Å; S1054-A1057 PolarHBondContact O-N 2.84Å; M1055-A1057 PolarHBondContact O-N 3.38Å |
| 1058 | R | 38.4 | Very low | 36.3 | Very low | 128 Ų | 128 | 107 Ų | 107 | 48% | 0.483 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.4 | -16 | -174.4 | -92.5 | -176.8 | 174.5 | 172.7 | 4.1 | 116 | M1055 S1060 | M1055-R1058 HydrophobicContact CE-CB 4.24Å; M1055-R1058 PolarHBondContact O-N 3.34Å; M1055-R1058 HydrophobicContact SD-CB 3.78Å; R1058-S1060 PolarHBondContact O-N 3.23Å |
| 1059 | A | 35.2 | Very low | 36.3 | Very low | 94 Ų | 94 | 107.6 Ų | 107.6 | 78% | 0.777 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 1.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1060 | S | 38.7 | Very low | 37 | Very low | 108 Ų | 108 | 105.7 Ų | 105.7 | 76% | 0.755 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | -16.1 | -172.6 | -148.4 | 0 | 0 | 0 | 0 | 115.6 | R1058 | R1058-S1060 PolarHBondContact O-N 3.23Š|
| 1061 | R | 38.2 | Very low | 37.6 | Very low | 198 Ų | 198 | 106.8 Ų | 106.8 | 75% | 0.747 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -12.3 | -174.7 | -66.5 | -167 | -175.6 | -162.1 | 1.5 | 115.4 | K1063 | R1061-K1063 VanDerWaalsContact C-N 3.31Å; R1061-K1063 PolarHBondContact O-N 3.45Å |
| 1062 | T | 39.4 | Very low | 38.4 | Very low | 77 Ų | 77 | 101.9 Ų | 101.9 | 47% | 0.472 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.5 | -5.1 | -176.1 | 30 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1063 | K | 34.7 | Very low | 39.3 | Very low | 185 Ų | 185 | 97.4 Ų | 97.4 | 80% | 0.804 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -29.7 | 175.5 | -75.8 | -167.6 | 172.6 | -173.3 | 0 | 114.1 | R1061 | R1061-K1063 VanDerWaalsContact C-N 3.31Å; R1061-K1063 PolarHBondContact O-N 3.45Å |
| 1064 | G | 31.3 | Very low | 40 | Very low | 62 Ų | 62 | 100.6 Ų | 100.6 | 64% | 0.639 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -90.3 | -9.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1065 | I | 38.2 | Very low | 40.9 | Very low | 149 Ų | 149 | 107.2 Ų | 107.2 | 76% | 0.764 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -108.1 | -6.7 | -173.7 | -54.6 | 178.1 | 0 | 0 | 0 | 111.7 | ||
| 1066 | M | 42.2 | Very low | 41.5 | Very low | 56 Ų | 56 | 113.2 Ų | 113.2 | 28% | 0.276 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -95.6 | -8.1 | -178 | -71.6 | -63.3 | -62.8 | 0 | 0 | 114.8 | R1094 | M1066-R1094 VanDerWaalsContact CG-NH1 3.33Å; M1066-R1094 PolarHBondContact SD-NH1 2.91Å |
| 1067 | Y | 40.5 | Very low | 41.9 | Very low | 66 Ų | 66 | 109.2 Ų | 109.2 | 26% | 0.259 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -132.3 | 99.9 | -171.1 | -69.5 | -80.6 | 0 | 0 | 0 | 112.3 | D1069 T1083 P1085 | Y1067-D1069 VanDerWaalsContact C-N 3.31Å; Y1067-D1069 PolarHBondContact O-N 3.34Å; Y1067-T1083 WeakPolarHBondContact CE1-O 3.26Å; Y1067-P1085 WeakPolarHBondContact OH-CD 3.33Å |
| 1068 | G | 35.9 | Very low | 41.5 | Very low | 30 Ų | 30 | 107.7 Ų | 107.7 | 31% | 0.309 | 56% | 0.561 | S | S | . | * | S | Bend | trans | 67.8 | -12.6 | 144.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | K1074 | G1068-K1074 VanDerWaalsContact O-CD 3.26Å; G1068-K1074 WeakPolarHBondContact O-CD 3.3Å; G1068-K1074 WeakPolarHBondContact O-CE 3.26Å; G1068-K1074 WeakPolarHBondContact O-CG 3.09Å; G1068-K1074 PolarHBondContact O-NZ 3.33Å |
| 1069 | D | 40.2 | Very low | 41.4 | Very low | 130 Ų | 130 | 109.4 Ų | 109.4 | 70% | 0.695 | 58% | 0.579 | S | S | * | * | trans | -90.2 | -0.9 | -166.3 | -75.3 | -21.8 | 0 | 0 | 0 | 117.3 | Y1067 P1071 K1074 | Y1067-D1069 VanDerWaalsContact C-N 3.31Å; Y1067-D1069 PolarHBondContact O-N 3.34Å; D1069-P1071 WeakPolarHBondContact O-CD 3.33Å; D1069-K1074 IonicContact OD1-NZ 2.7Å; D1069-K1074 PolarHBondContact OD1-NZ 3.29Å | ||
| 1070 | D | 49.5 | Very low | 41.8 | Very low | 81 Ų | 81 | 108.4 Ų | 108.4 | 43% | 0.433 | 56% | 0.56 | S | S | . | * | trans | -78 | 121.6 | 163.7 | -172.6 | -20.7 | 0 | 0 | 0 | 110.8 | A1072 I1073 K1074 | D1070-A1072 PolarHBondContact O-N 3.08Å; D1070-A1072 VanDerWaalsContact O-N 3.14Å; D1070-A1072 VanDerWaalsContact OD1-CB 3.29Å; D1070-A1072 WeakPolarHBondContact OD1-CB 3.42Å; D1070-A1072 PolarHBondContact OD1-N 3.35Å; D1070-I1073 HydrophobicContact CB-CB 4.23Å; D1070-I1073 HydrophobicContact CB-CD1 3.9Å; D1070-I1073 HydrophobicContact CB-CG1 3.91Å; D1070-I1073 PolarHBondContact O-N 3.39Å; D1070-K1074 PolarHBondContact O-N 3.16Å | ||
| 1071 | P | 47.6 | Very low | 41.6 | Very low | 87 Ų | 87 | 111 Ų | 111 | 57% | 0.565 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -58.5 | -21.1 | 174.4 | -24.1 | 35.2 | 0 | 0 | 0 | 115 | D1069 R1075 | D1069-P1071 WeakPolarHBondContact O-CD 3.33Å; P1071-R1075 VanDerWaalsContact O-CG 3.27Å; P1071-R1075 WeakPolarHBondContact O-CG 3.39Å; P1071-R1075 PolarHBondContact O-N 3.19Å |
| 1072 | A | 49.3 | Very low | 42 | Very low | 59 Ų | 59 | 107 Ų | 107 | 49% | 0.488 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -74.8 | -36.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1070 R1075 R1076 | D1070-A1072 PolarHBondContact O-N 3.08Å; D1070-A1072 VanDerWaalsContact O-N 3.14Å; D1070-A1072 VanDerWaalsContact OD1-CB 3.29Å; D1070-A1072 WeakPolarHBondContact OD1-CB 3.42Å; D1070-A1072 PolarHBondContact OD1-N 3.35Å; A1072-R1075 PolarHBondContact O-N 3.42Å; A1072-R1076 PolarHBondContact O-N 3Å; A1072-R1076 VanDerWaalsContact O-N 3.12Å |
| 1073 | I | 51.8 | Low | 42.9 | Very low | 69 Ų | 69 | 106 Ų | 106 | 35% | 0.354 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.6 | -47.7 | 177.3 | -64.9 | 177.7 | 0 | 0 | 0 | 110 | D1070 R1075 R1076 F1077 | D1070-I1073 HydrophobicContact CB-CB 4.23Å; D1070-I1073 HydrophobicContact CB-CD1 3.9Å; D1070-I1073 HydrophobicContact CB-CG1 3.91Å; D1070-I1073 PolarHBondContact O-N 3.39Å; I1073-R1075 PolarHBondContact O-N 3.42Å; I1073-R1075 VanDerWaalsContact O-N 3.12Å; I1073-R1076 PolarHBondContact O-N 3.36Å; I1073-F1077 HydrophobicContact CG2-CD2 4.16Å; I1073-F1077 PolarHBondContact O-N 2.9Å |
| 1074 | K | 46.9 | Very low | 44.9 | Very low | 108 Ų | 108 | 99.4 Ų | 99.4 | 47% | 0.47 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -56.3 | -26.4 | 173.3 | -84.4 | 169.5 | 173 | 130.5 | 0 | 113.5 | G1068 D1069 D1070 | G1068-K1074 VanDerWaalsContact O-CD 3.26Å; G1068-K1074 WeakPolarHBondContact O-CD 3.3Å; G1068-K1074 WeakPolarHBondContact O-CE 3.26Å; G1068-K1074 WeakPolarHBondContact O-CG 3.09Å; G1068-K1074 PolarHBondContact O-NZ 3.33Å; D1069-K1074 IonicContact OD1-NZ 2.7Å; D1069-K1074 PolarHBondContact OD1-NZ 3.29Å; D1070-K1074 PolarHBondContact O-N 3.16Å |
| 1075 | R | 52.8 | Low | 47.5 | Very low | 221 Ų | 221 | 97 Ų | 97 | 83% | 0.834 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -84.5 | -26.2 | 175.1 | -76.8 | 176.4 | -179 | -153.9 | -0 | 114.7 | P1071 A1072 I1073 | P1071-R1075 VanDerWaalsContact O-CG 3.27Å; P1071-R1075 WeakPolarHBondContact O-CG 3.39Å; P1071-R1075 PolarHBondContact O-N 3.19Å; A1072-R1075 PolarHBondContact O-N 3.42Å; I1073-R1075 PolarHBondContact O-N 3.42Å; I1073-R1075 VanDerWaalsContact O-N 3.12Å |
| 1076 | R | 49.6 | Very low | 50 | Low | 199 Ų | 199 | 92.6 Ų | 92.6 | 75% | 0.751 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -90.1 | -22.6 | -174.1 | -153.8 | 176.1 | -164.9 | -173.7 | 3.4 | 113.6 | A1072 I1073 | A1072-R1076 PolarHBondContact O-N 3Å; A1072-R1076 VanDerWaalsContact O-N 3.12Å; I1073-R1076 PolarHBondContact O-N 3.36Å |
| 1077 | F | 43.9 | Very low | 52.4 | Low | 118 Ų | 118 | 90.1 Ų | 90.1 | 52% | 0.518 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -121.9 | 3 | -178.1 | -62.9 | -83.1 | 0 | 0 | 0 | 114.4 | I1073 I1080 | I1073-F1077 HydrophobicContact CG2-CD2 4.16Å; I1073-F1077 PolarHBondContact O-N 2.9Å; F1077-I1080 HydrophobicContact CB-CD1 3.45Å; F1077-I1080 VanDerWaalsContact CB-CD1 3.45Å; F1077-I1080 HydrophobicContact CB-CG1 3.83Å; F1077-I1080 HydrophobicContact CD1-CD1 4.23Å; F1077-I1080 HydrophobicContact CG-CD1 3.97Å |
| 1078 | G | 28.3 | Very low | 55 | Low | 37 Ų | 37 | 89.9 Ų | 89.9 | 38% | 0.381 | 47% | 0.471 | S | S | . | . | trans | 67.1 | -154 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1080 | G1078-I1080 PolarHBondContact O-N 2.63Š| ||
| 1079 | N | 34.4 | Very low | 57.6 | Low | 163 Ų | 163 | 90.9 Ų | 90.9 | 87% | 0.872 | 48% | 0.476 | S | S | * | . | trans | -75.8 | 71.3 | 178.4 | -77.3 | -2.6 | 0 | 0 | 0 | 111.7 | E1081 | N1079-E1081 VanDerWaalsContact C-N 3.33Å; N1079-E1081 PolarHBondContact O-N 3.07Å | ||
| 1080 | I | 43.8 | Very low | 59.8 | Low | 73 Ų | 73 | 93 Ų | 93 | 37% | 0.374 | 48% | 0.482 | S | S | . | . | trans | -68.4 | 95.2 | 158.4 | -71 | -165 | 0 | 0 | 0 | 107.7 | F1077 G1078 T1082 T1083 | F1077-I1080 HydrophobicContact CB-CD1 3.45Å; F1077-I1080 VanDerWaalsContact CB-CD1 3.45Å; F1077-I1080 HydrophobicContact CB-CG1 3.83Å; F1077-I1080 HydrophobicContact CD1-CD1 4.23Å; F1077-I1080 HydrophobicContact CG-CD1 3.97Å; G1078-I1080 PolarHBondContact O-N 2.63Å; I1080-T1082 VanDerWaalsContact C-N 3.35Å; I1080-T1082 PolarHBondContact O-N 2.71Å; I1080-T1083 HydrophobicContact CG2-CG2 3.57Å; I1080-T1083 WeakPolarHBondContact CG2-OG1 3.39Å | ||
| 1081 | E | 36.1 | Very low | 61.7 | Low | 163 Ų | 163 | 91.9 Ų | 91.9 | 76% | 0.762 | 48% | 0.475 | S | S | * | . | trans | -66.1 | 85.9 | 175 | -70.6 | -170.6 | 126.6 | 0 | 0 | 111.2 | N1079 T1083 | N1079-E1081 VanDerWaalsContact C-N 3.33Å; N1079-E1081 PolarHBondContact O-N 3.07Å; E1081-T1083 WeakPolarHBondContact O-CA 3.43Å; E1081-T1083 PolarHBondContact O-N 3.02Å | ||
| 1082 | T | 46.6 | Very low | 63.9 | Low | 115 Ų | 115 | 89.3 Ų | 89.3 | 71% | 0.706 | 46% | 0.458 | S | S | * | . | S | Bend | trans | 51 | 29.9 | 167.6 | 48.4 | 0 | 0 | 0 | 0 | 114.3 | I1080 T1084 | I1080-T1082 VanDerWaalsContact C-N 3.35Å; I1080-T1082 PolarHBondContact O-N 2.71Å; T1082-T1084 PolarHBondContact O-N 2.66Å |
| 1083 | T | 57.7 | Low | 66 | Low | 55 Ų | 55 | 86.5 Ų | 86.5 | 34% | 0.337 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 124.2 | -156.9 | 58.7 | 0 | 0 | 0 | 0 | 112.7 | Y1067 I1080 E1081 | Y1067-T1083 WeakPolarHBondContact CE1-O 3.26Å; I1080-T1083 HydrophobicContact CG2-CG2 3.57Å; I1080-T1083 WeakPolarHBondContact CG2-OG1 3.39Å; E1081-T1083 WeakPolarHBondContact O-CA 3.43Å; E1081-T1083 PolarHBondContact O-N 3.02Å |
| 1084 | T | 76.3 | Confident | 67.9 | Low | 47 Ų | 47 | 85.8 Ų | 85.8 | 29% | 0.288 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 132.4 | 171.7 | 50.9 | 0 | 0 | 0 | 0 | 109.8 | T1082 Q1086 M1102 H1103 | T1082-T1084 PolarHBondContact O-N 2.66Å; T1084-Q1086 PolarHBondContact O-N 3.47Å; T1084-Q1086 PolarHBondContact O-NE2 2.94Å; T1084-M1102 HydrophobicContact CG2-CE 3.37Å; T1084-H1103 PolarHBondContact OG1-CE1 3.2Å; T1084-H1103 PolarHBondContact OG1-NE2 3.16Å |
| 1085 | P | 86.3 | Confident | 70.1 | Confident | 10 Ų | 10 | 81.5 Ų | 81.5 | 7% | 0.065 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 123.5 | -170 | 25.5 | -34.1 | 0 | 0 | 0 | 110.9 | Y1067 G1087 A1093 L1099 | Y1067-P1085 WeakPolarHBondContact OH-CD 3.33Å; P1085-G1087 PolarHBondContact O-N 3.06Å; P1085-A1093 HydrophobicContact CB-CB 4.37Å; P1085-A1093 HydrophobicContact CG-CB 4.49Å; P1085-L1099 WeakPolarHBondContact O-CD1 3.34Å |
| 1086 | Q | 91 | Very high | 72.2 | Confident | 58 Ų | 58 | 71 Ų | 71 | 27% | 0.271 | 37% | 0.371 | S | S | . | . | trans | -80.8 | -16.1 | -170.5 | -69.1 | -51 | -49.5 | 0 | 0 | 114.6 | T1084 T1088 L1091 H1103 K1106 | T1084-Q1086 PolarHBondContact O-N 3.47Å; T1084-Q1086 PolarHBondContact O-NE2 2.94Å; Q1086-T1088 VanDerWaalsContact C-N 3.31Å; Q1086-T1088 HydrophobicContact CB-CG2 4.05Å; Q1086-L1091 HydrophobicContact CB-CB 4.46Å; Q1086-L1091 PolarHBondContact N-O 2.82Å; Q1086-L1091 VanDerWaalsContact N-O 3.08Å; Q1086-H1103 PolarHBondContact NE2-CE1 3.12Å; Q1086-H1103 VanDerWaalsContact NE2-CE1 3.27Å; Q1086-H1103 PolarHBondContact NE2-NE2 2.84Å; Q1086-K1106 PolarHBondContact O-NZ 2.79Å | ||
| 1087 | G | 92.7 | Very high | 74.3 | Confident | 4 Ų | 4 | 61.7 Ų | 61.7 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 75.6 | 22.5 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1085 L1091 W1112 | P1085-G1087 PolarHBondContact O-N 3.06Å; G1087-L1091 PolarHBondContact N-O 2.63Å; G1087-W1112 WeakPolarHBondContact CA-O 3.34Å; G1087-W1112 PolarHBondContact O-N 3.08Å |
| 1088 | T | 93.9 | Very high | 76.6 | Confident | 61 Ų | 61 | 58 Ų | 58 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -88.9 | 165.4 | 168.1 | 59.8 | 0 | 0 | 0 | 0 | 109.7 | Q1086 E1090 L1091 P1092 W1112 | Q1086-T1088 VanDerWaalsContact C-N 3.31Å; Q1086-T1088 HydrophobicContact CB-CG2 4.05Å; T1088-E1090 PolarHBondContact O-N 2.86Å; T1088-L1091 PolarHBondContact N-O 2.9Å; T1088-L1091 CarbonylContact O-C 3.53Å; T1088-L1091 PolarHBondContact O-N 2.89Å; T1088-L1091 PolarHBondContact OG1-N 2.87Å; T1088-L1091 VanDerWaalsContact OG1-N 3.11Å; T1088-P1092 VanDerWaalsContact O-CA 3.29Å; T1088-P1092 WeakPolarHBondContact O-CA 3.43Å; T1088-W1112 WeakPolarHBondContact O-CB 3.29Å |
| 1089 | A | 90.8 | Very high | 79.7 | Confident | 50 Ų | 50 | 56.2 Ų | 56.2 | 41% | 0.413 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -61.5 | -28.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | W1112 | A1089-W1112 HydrophobicContact CB-CD2 3.91Å; A1089-W1112 HydrophobicContact CB-CE3 4.41Å; A1089-W1112 HydrophobicContact CB-CG 4.05Å; A1089-W1112 HydrophobicContact CB-CZ2 4.46Å |
| 1090 | E | 87.6 | Confident | 82.5 | Confident | 175 Ų | 175 | 48.7 Ų | 48.7 | 82% | 0.818 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -83.9 | -35.8 | 178.8 | -61.1 | 171 | 167 | 0 | 0 | 112.8 | T1088 P1092 | T1088-E1090 PolarHBondContact O-N 2.86Å; E1090-P1092 WeakPolarHBondContact O-CD 3.44Å |
| 1091 | L | 89.4 | Confident | 84.7 | Confident | 58 Ų | 58 | 49.5 Ų | 49.5 | 30% | 0.304 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -124.2 | 66.7 | 177.6 | -64.3 | 176.5 | 0 | 0 | 0 | 110.4 | Q1086 G1087 T1088 | Q1086-L1091 HydrophobicContact CB-CB 4.46Å; Q1086-L1091 PolarHBondContact N-O 2.82Å; Q1086-L1091 VanDerWaalsContact N-O 3.08Å; G1087-L1091 PolarHBondContact N-O 2.63Å; T1088-L1091 PolarHBondContact N-O 2.9Å; T1088-L1091 CarbonylContact O-C 3.53Å; T1088-L1091 PolarHBondContact O-N 2.89Å; T1088-L1091 PolarHBondContact OG1-N 2.87Å; T1088-L1091 VanDerWaalsContact OG1-N 3.11Å |
| 1092 | P | 92.9 | Very high | 87.4 | Confident | 32 Ų | 32 | 45.1 Ų | 45.1 | 21% | 0.208 | 25% | 0.25 | C | C | . | . | trans | -69.2 | 147.4 | -178.9 | 29.5 | -36.2 | 0 | 0 | 0 | 111.2 | T1088 E1090 W1112 N1114 P1123 | T1088-P1092 VanDerWaalsContact O-CA 3.29Å; T1088-P1092 WeakPolarHBondContact O-CA 3.43Å; E1090-P1092 WeakPolarHBondContact O-CD 3.44Å; P1092-W1112 WeakPolarHBondContact CA-O 3.3Å; P1092-W1112 HydrophobicContact CB-CB 4.33Å; P1092-N1114 HydrophobicContact CG-CB 4.42Å; P1092-P1123 HydrophobicContact CB-CB 3.83Å; P1092-P1123 HydrophobicContact CG-CB 4.03Å | ||
| 1093 | A | 92.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -79 | 171.6 | 169 | 0 | 0 | 0 | 0 | 0 | 110.8 | P1085 L1099 W1112 I1113 N1114 | P1085-A1093 HydrophobicContact CB-CB 4.37Å; P1085-A1093 HydrophobicContact CG-CB 4.49Å; A1093-L1099 HydrophobicContact CB-CB 3.71Å; A1093-L1099 HydrophobicContact CB-CD1 4.21Å; A1093-L1099 HydrophobicContact CB-CG 4.36Å; A1093-W1112 PolarHBondContact N-O 2.85Å; A1093-I1113 HydrophobicContact CB-CG2 4.33Å; A1093-I1113 CarbonylContact O-C 3.57Å; A1093-I1113 WeakPolarHBondContact O-CA 3.3Å; A1093-I1113 WeakPolarHBondContact O-CB 3.32Å; A1093-N1114 PolarHBondContact O-N 3.34Å |
| 1094 | R | 91.8 | Very high | 91.2 | Very high | 54 Ų | 54 | 43.5 Ų | 43.5 | 20% | 0.204 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -74.1 | -44.1 | 169.7 | -100.6 | -164.5 | 167.6 | 107.1 | 9.9 | 111.7 | M1066 P1115 I1116 | M1066-R1094 VanDerWaalsContact CG-NH1 3.33Å; M1066-R1094 PolarHBondContact SD-NH1 2.91Å; R1094-P1115 PolarHBondContact NE-O 3.3Å; R1094-P1115 VanDerWaalsContact O-CA 3.31Å; R1094-P1115 WeakPolarHBondContact O-CA 3.46Å; R1094-I1116 PolarHBondContact NE-O 3.46Å; R1094-I1116 PolarHBondContact NH2-O 3.31Å |
| 1095 | T | 94.5 | Very high | 91.9 | Very high | 17 Ų | 17 | 49 Ų | 49 | 10% | 0.104 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -148.9 | 166.3 | -179.5 | 62.1 | 0 | 0 | 0 | 0 | 108.7 | A1097 H1098 L1099 L1180 | T1095-A1097 PolarHBondContact O-N 2.05Å; T1095-A1097 PolarHBondContact OG1-N 2.67Å; T1095-H1098 PolarHBondContact O-N 2.83Å; T1095-H1098 PolarHBondContact OG1-N 2.9Å; T1095-L1099 PolarHBondContact O-N 3Å; T1095-L1180 HydrophobicContact CG2-CD1 3.66Å |
| 1096 | C | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.5 | -27.4 | 172.2 | -63.3 | 0 | 0 | 0 | 0 | 112.6 | L1099 A1100 C1128 E1134 T1135 | C1096-L1099 PolarHBondContact O-N 2.84Å; C1096-A1100 VanDerWaalsContact O-CB 3.3Å; C1096-A1100 WeakPolarHBondContact O-CB 3.49Å; C1096-A1100 PolarHBondContact O-N 3.05Å; C1096-C1128 VanDerWaalsContact CA-SG 3.6Å; C1096-C1128 HydrophobicContact CB-CB 3.47Å; C1096-C1128 VanDerWaalsContact CB-CB 3.47Å; C1096-C1128 WeakPolarHBondContact CB-SG 3.3Å; C1096-C1128 WeakPolarHBondContact SG-CA 3.12Å; C1096-C1128 WeakPolarHBondContact SG-CB 3.47Å; C1096-C1128 CovalentContact SG-SG 2.03Å; C1096-C1128 PolarHBondContact SG-SG 2.94Å; C1096-E1134 VanDerWaalsContact CB-O 3.3Å; C1096-E1134 WeakPolarHBondContact CB-O 3.35Å; C1096-T1135 WeakPolarHBondContact CB-OG1 3.29Å; C1096-T1135 PolarHBondContact N-OG1 3.41Å |
| 1097 | A | 93.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.1 | -48.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T1095 L1099 A1100 D1101 K1133 | T1095-A1097 PolarHBondContact O-N 2.05Å; T1095-A1097 PolarHBondContact OG1-N 2.67Å; A1097-L1099 VanDerWaalsContact C-N 3.3Å; A1097-L1099 PolarHBondContact O-N 3.25Å; A1097-A1100 PolarHBondContact O-N 3.24Å; A1097-D1101 PolarHBondContact O-N 2.88Å; A1097-K1133 HydrophobicContact CB-CB 3.88Å |
| 1098 | H | 91.8 | Very high | 92.8 | Very high | 40 Ų | 40 | 55.6 Ų | 55.6 | 19% | 0.185 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.5 | -40.7 | 174.9 | -178.7 | -160.1 | 0 | 0 | 0 | 111.4 | T1095 D1101 M1102 | T1095-H1098 PolarHBondContact O-N 2.83Å; T1095-H1098 PolarHBondContact OG1-N 2.9Å; H1098-D1101 PolarHBondContact O-N 3.43Å; H1098-M1102 WeakPolarHBondContact O-CG 3.32Å; H1098-M1102 PolarHBondContact O-N 3.48Å; H1098-M1102 VanDerWaalsContact O-N 3.09Å |
| 1099 | L | 93.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 177 | -173 | 56.7 | 0 | 0 | 0 | 112.4 | P1085 A1093 T1095 C1096 A1097 H1103 K1106 Y1111 M1130 | P1085-L1099 WeakPolarHBondContact O-CD1 3.34Å; A1093-L1099 HydrophobicContact CB-CB 3.71Å; A1093-L1099 HydrophobicContact CB-CD1 4.21Å; A1093-L1099 HydrophobicContact CB-CG 4.36Å; T1095-L1099 PolarHBondContact O-N 3Å; C1096-L1099 PolarHBondContact O-N 2.84Å; A1097-L1099 VanDerWaalsContact C-N 3.3Å; A1097-L1099 PolarHBondContact O-N 3.25Å; L1099-H1103 PolarHBondContact O-N 3.34Å; L1099-K1106 HydrophobicContact CD1-CD 4.42Å; L1099-Y1111 HydrophobicContact CD2-CD1 3.7Å; L1099-Y1111 HydrophobicContact CD2-CD2 4.18Å; L1099-Y1111 HydrophobicContact CD2-CE1 4.33Å; L1099-Y1111 HydrophobicContact CD2-CG 3.6Å; L1099-M1130 HydrophobicContact CB-CE 4.5Å; L1099-M1130 HydrophobicContact CD2-CE 3.49Å; L1099-M1130 VanDerWaalsContact CD2-CE 3.49Å; L1099-M1130 HydrophobicContact CG-CE 3.73Å; L1099-M1130 HydrophobicContact CG-SD 4.36Å |
| 1100 | A | 93.7 | Very high | 93.2 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.6 | -31.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | C1096 A1097 H1103 P1104 M1130 K1133 | C1096-A1100 VanDerWaalsContact O-CB 3.3Å; C1096-A1100 WeakPolarHBondContact O-CB 3.49Å; C1096-A1100 PolarHBondContact O-N 3.05Å; A1097-A1100 PolarHBondContact O-N 3.24Å; A1100-H1103 CarbonylContact O-C 3.58Å; A1100-P1104 VanDerWaalsContact O-CA 3.26Å; A1100-P1104 WeakPolarHBondContact O-CA 3.01Å; A1100-P1104 VanDerWaalsContact O-N 3.16Å; A1100-M1130 HydrophobicContact CB-CB 4.2Å; A1100-M1130 HydrophobicContact CB-SD 3.89Å; A1100-K1133 HydrophobicContact CB-CG 4.06Å |
| 1101 | D | 90.9 | Very high | 93.7 | Very high | 90 Ų | 90 | 49 Ų | 49 | 48% | 0.481 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68 | -41.4 | 173.9 | -76.4 | -33.8 | 0 | 0 | 0 | 111.9 | A1097 H1098 K1133 | A1097-D1101 PolarHBondContact O-N 2.88Å; H1098-D1101 PolarHBondContact O-N 3.43Å; D1101-K1133 IonicContact OD1-NZ 2.84Å; D1101-K1133 PolarHBondContact OD1-NZ 3.3Å |
| 1102 | M | 91.2 | Very high | 94 | Very high | 71 Ų | 71 | 50.3 Ų | 50.3 | 35% | 0.35 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -79.5 | -28.1 | 178.7 | -60.6 | -54.2 | -59.2 | 0 | 0 | 112.8 | T1084 H1098 | T1084-M1102 HydrophobicContact CG2-CE 3.37Å; H1098-M1102 WeakPolarHBondContact O-CG 3.32Å; H1098-M1102 PolarHBondContact O-N 3.48Å; H1098-M1102 VanDerWaalsContact O-N 3.09Å |
| 1103 | H | 92.8 | Very high | 94.1 | Very high | 38 Ų | 38 | 48.8 Ų | 48.8 | 18% | 0.176 | 26% | 0.257 | C | S | . | . | trans | -135.9 | 73.2 | 179.9 | -59.7 | -69 | 0 | 0 | 0 | 112.8 | T1084 Q1086 L1099 A1100 N1105 K1106 | T1084-H1103 PolarHBondContact OG1-CE1 3.2Å; T1084-H1103 PolarHBondContact OG1-NE2 3.16Å; Q1086-H1103 PolarHBondContact NE2-CE1 3.12Å; Q1086-H1103 VanDerWaalsContact NE2-CE1 3.27Å; Q1086-H1103 PolarHBondContact NE2-NE2 2.84Å; L1099-H1103 PolarHBondContact O-N 3.34Å; A1100-H1103 CarbonylContact O-C 3.58Å; H1103-N1105 PolarHBondContact O-N 3.04Å; H1103-K1106 HydrophobicContact CB-CB 4.47Å; H1103-K1106 HydrophobicContact CB-CD 3.96Å; H1103-K1106 HydrophobicContact CB-CG 3.86Å; H1103-K1106 PolarHBondContact O-N 3.06Å | ||
| 1104 | P | 91.1 | Very high | 94.2 | Very high | 98 Ų | 98 | 49 Ų | 49 | 64% | 0.636 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -20.2 | -176.6 | -26.9 | 35.7 | 0 | 0 | 0 | 115.6 | A1100 | A1100-P1104 VanDerWaalsContact O-CA 3.26Å; A1100-P1104 WeakPolarHBondContact O-CA 3.01Å; A1100-P1104 VanDerWaalsContact O-N 3.16Å |
| 1105 | N | 92.5 | Very high | 94.2 | Very high | 162 Ų | 162 | 46.8 Ų | 46.8 | 87% | 0.866 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 0.2 | -178 | -63.7 | -11.6 | 0 | 0 | 0 | 113.8 | H1103 | H1103-N1105 PolarHBondContact O-N 3.04Š|
| 1106 | K | 94.2 | Very high | 94 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 22% | 0.217 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 142.8 | 175.4 | -79.8 | -168.4 | -172.3 | -155.2 | 0 | 110.9 | Q1086 L1099 H1103 Y1111 M1130 | Q1086-K1106 PolarHBondContact O-NZ 2.79Å; L1099-K1106 HydrophobicContact CD1-CD 4.42Å; H1103-K1106 HydrophobicContact CB-CB 4.47Å; H1103-K1106 HydrophobicContact CB-CD 3.96Å; H1103-K1106 HydrophobicContact CB-CG 3.86Å; H1103-K1106 PolarHBondContact O-N 3.06Å; K1106-Y1111 HydrophobicContact CD-CE1 4.01Å; K1106-M1130 HydrophobicContact CB-CE 3.83Å; K1106-M1130 HydrophobicContact CB-CG 4.34Å; K1106-M1130 VanDerWaalsContact O-CG 3.32Å; K1106-M1130 WeakPolarHBondContact O-CG 3.25Å |
| 1107 | P | 96.7 | Very high | 93.1 | Very high | 89 Ų | 89 | 48.9 Ų | 48.9 | 58% | 0.578 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 157.9 | 176.9 | 31.1 | -35.5 | 0 | 0 | 0 | 111.5 | Y1111 M1130 | P1107-Y1111 WeakPolarHBondContact CD-OH 3.45Å; P1107-Y1111 WeakPolarHBondContact O-CE2 3.28Å; P1107-Y1111 PolarHBondContact O-OH 3.3Å; P1107-M1130 WeakPolarHBondContact O-CG 3.39Å |
| 1108 | D | 97.2 | Very high | 92.5 | Very high | 72 Ų | 72 | 51.4 Ų | 51.4 | 39% | 0.385 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -59.2 | 133.7 | 164.4 | -51.5 | -44.1 | 0 | 0 | 0 | 108.8 | C1128 R1129 M1130 K1131 | D1108-C1128 CarbonylContact C-O 3.59Å; D1108-C1128 VanDerWaalsContact CA-O 3.27Å; D1108-C1128 WeakPolarHBondContact CA-O 3.45Å; D1108-R1129 VanDerWaalsContact OD1-C 3.28Å; D1108-R1129 VanDerWaalsContact OD1-CA 3.3Å; D1108-R1129 WeakPolarHBondContact OD1-CA 3.23Å; D1108-M1130 PolarHBondContact OD1-N 3.37Å; D1108-K1131 PolarHBondContact OD1-N 3.36Å; D1108-K1131 IonicContact OD2-NZ 2.7Å |
| 1109 | G | 96.2 | Very high | 91.5 | Very high | 25 Ų | 25 | 55.1 Ų | 55.1 | 26% | 0.258 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.6 | -173.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y1111 S1127 C1128 | G1109-Y1111 VanDerWaalsContact O-CD2 3.29Å; G1109-Y1111 WeakPolarHBondContact O-CD2 3Å; G1109-S1127 CarbonylContact O-C 3.43Å; G1109-C1128 PolarHBondContact N-O 3.25Å; G1109-C1128 PolarHBondContact O-N 2.68Å |
| 1110 | E | 97.4 | Very high | 90.4 | Very high | 90 Ų | 90 | 62.6 Ų | 62.6 | 42% | 0.421 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 129.1 | 178.5 | -62.7 | -167.9 | 158.7 | 0 | 0 | 112.8 | K1125 V1126 K1138 | E1110-K1125 VanDerWaalsContact OE2-CE 3.3Å; E1110-K1125 WeakPolarHBondContact OE2-CE 3.49Å; E1110-K1125 IonicContact OE2-NZ 3.57Å; E1110-K1125 PolarHBondContact OE2-NZ 3.16Å; E1110-V1126 CarbonylContact C-O 3.43Å; E1110-V1126 VanDerWaalsContact CA-O 3.28Å; E1110-V1126 WeakPolarHBondContact CA-O 3.46Å; E1110-K1138 IonicContact OE1-NZ 2.71Å; E1110-K1138 PolarHBondContact OE1-NZ 3.26Å |
| 1111 | Y | 97.3 | Very high | 89.7 | Confident | 31 Ų | 31 | 64 Ų | 64 | 12% | 0.122 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 165.8 | -178 | -60.2 | -90.1 | 0 | 0 | 0 | 110.8 | L1099 K1106 P1107 G1109 K1125 V1126 C1128 M1130 | L1099-Y1111 HydrophobicContact CD2-CD1 3.7Å; L1099-Y1111 HydrophobicContact CD2-CD2 4.18Å; L1099-Y1111 HydrophobicContact CD2-CE1 4.33Å; L1099-Y1111 HydrophobicContact CD2-CG 3.6Å; K1106-Y1111 HydrophobicContact CD-CE1 4.01Å; P1107-Y1111 WeakPolarHBondContact CD-OH 3.45Å; P1107-Y1111 WeakPolarHBondContact O-CE2 3.28Å; P1107-Y1111 PolarHBondContact O-OH 3.3Å; G1109-Y1111 VanDerWaalsContact O-CD2 3.29Å; G1109-Y1111 WeakPolarHBondContact O-CD2 3Å; Y1111-K1125 CarbonylContact O-C 3.2Å; Y1111-K1125 WeakPolarHBondContact O-CA 3.32Å; Y1111-V1126 PolarHBondContact N-O 3.04Å; Y1111-V1126 WeakPolarHBondContact O-CG2 3.27Å; Y1111-V1126 PolarHBondContact O-N 2.82Å; Y1111-C1128 HydrophobicContact CD2-CB 3.65Å; Y1111-C1128 HydrophobicContact CE2-CB 4.12Å; Y1111-M1130 HydrophobicContact CD1-CE 4.39Å; Y1111-M1130 HydrophobicContact CD2-CE 3.65Å; Y1111-M1130 HydrophobicContact CE1-CE 4.03Å; Y1111-M1130 HydrophobicContact CE2-CE 3.21Å; Y1111-M1130 HydrophobicContact CG-CE 4.21Å; Y1111-M1130 VanDerWaalsContact CZ-CE 3.42Å |
| 1112 | W | 95.8 | Very high | 89.6 | Confident | 87 Ų | 87 | 64.3 Ų | 64.3 | 33% | 0.33 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 137.4 | 178 | -63.8 | 85.9 | 0 | 0 | 0 | 111.6 | G1087 T1088 A1089 P1092 A1093 P1123 T1124 K1125 | G1087-W1112 WeakPolarHBondContact CA-O 3.34Å; G1087-W1112 PolarHBondContact O-N 3.08Å; T1088-W1112 WeakPolarHBondContact O-CB 3.29Å; A1089-W1112 HydrophobicContact CB-CD2 3.91Å; A1089-W1112 HydrophobicContact CB-CE3 4.41Å; A1089-W1112 HydrophobicContact CB-CG 4.05Å; A1089-W1112 HydrophobicContact CB-CZ2 4.46Å; P1092-W1112 WeakPolarHBondContact CA-O 3.3Å; P1092-W1112 HydrophobicContact CB-CB 4.33Å; A1093-W1112 PolarHBondContact N-O 2.85Å; W1112-P1123 HydrophobicContact CB-CB 4.41Å; W1112-P1123 HydrophobicContact CE3-CB 4.2Å; W1112-P1123 HydrophobicContact CE3-CG 4.15Å; W1112-P1123 VanDerWaalsContact CE3-O 3.27Å; W1112-P1123 VanDerWaalsContact CZ3-O 3.26Å; W1112-P1123 WeakPolarHBondContact CZ3-O 3.46Å; W1112-T1124 WeakPolarHBondContact CA-O 3.29Å; W1112-K1125 HydrophobicContact CD2-CB 4Å; W1112-K1125 HydrophobicContact CD2-CG 4.1Å; W1112-K1125 HydrophobicContact CE3-CB 3.92Å; W1112-K1125 HydrophobicContact CH2-CB 4.07Å; W1112-K1125 HydrophobicContact CZ2-CB 4.13Å; W1112-K1125 HydrophobicContact CZ2-CD 4.1Å; W1112-K1125 HydrophobicContact CZ2-CG 4.16Å; W1112-K1125 HydrophobicContact CZ3-CB 3.96Å |
| 1113 | I | 94.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 152 | 176.2 | 64.7 | 168.4 | 0 | 0 | 0 | 112.1 | A1093 P1115 P1123 T1124 V1126 T1135 | A1093-I1113 HydrophobicContact CB-CG2 4.33Å; A1093-I1113 CarbonylContact O-C 3.57Å; A1093-I1113 WeakPolarHBondContact O-CA 3.3Å; A1093-I1113 WeakPolarHBondContact O-CB 3.32Å; I1113-P1115 HydrophobicContact CD1-CG 3.96Å; I1113-P1115 HydrophobicContact CG1-CG 4.43Å; I1113-P1123 CarbonylContact O-C 3.6Å; I1113-P1123 VanDerWaalsContact O-CA 3.25Å; I1113-P1123 WeakPolarHBondContact O-CA 3.19Å; I1113-P1123 WeakPolarHBondContact O-CB 3.41Å; I1113-T1124 PolarHBondContact N-O 3.26Å; I1113-T1124 PolarHBondContact O-N 2.94Å; I1113-V1126 HydrophobicContact CB-CG2 4.44Å; I1113-V1126 HydrophobicContact CD1-CB 4.44Å; I1113-V1126 HydrophobicContact CD1-CG1 3.76Å; I1113-V1126 HydrophobicContact CD1-CG2 3.88Å; I1113-V1126 HydrophobicContact CG1-CG1 3.91Å; I1113-V1126 HydrophobicContact CG1-CG2 3.82Å; I1113-V1126 HydrophobicContact CG2-CG2 3.85Å; I1113-T1135 HydrophobicContact CD1-CG2 3.52Å |
| 1114 | N | 94.3 | Very high | 89.7 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.032 | 35% | 0.349 | C | S | . | . | trans | -126.2 | 99.9 | 159.9 | 179.8 | 1.6 | 0 | 0 | 0 | 108.7 | P1092 A1093 I1116 G1117 D1118 S1121 Q1176 | P1092-N1114 HydrophobicContact CG-CB 4.42Å; A1093-N1114 PolarHBondContact O-N 3.34Å; N1114-I1116 VanDerWaalsContact C-N 3.27Å; N1114-I1116 PolarHBondContact O-N 2.66Å; N1114-I1116 WeakPolarHBondContact OD1-CB 3.47Å; N1114-I1116 PolarHBondContact OD1-N 2.95Å; N1114-I1116 VanDerWaalsContact OD1-N 3.11Å; N1114-G1117 PolarHBondContact ND2-N 3.17Å; N1114-G1117 WeakPolarHBondContact O-CA 3.45Å; N1114-G1117 PolarHBondContact O-N 3.22Å; N1114-G1117 VanDerWaalsContact O-N 3.11Å; N1114-G1117 PolarHBondContact OD1-N 2.74Å; N1114-D1118 PolarHBondContact ND2-N 3.38Å; N1114-D1118 PolarHBondContact ND2-O 3.08Å; N1114-D1118 PolarHBondContact ND2-OD1 2.78Å; N1114-S1121 PolarHBondContact ND2-O 3.29Å; N1114-Q1176 PolarHBondContact OD1-NE2 3.33Å; N1114-Q1176 VanDerWaalsContact OD1-NE2 3.14Å | ||
| 1115 | P | 93 | Very high | 90 | Very high | 7 Ų | 7 | 61.7 Ų | 61.7 | 5% | 0.045 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -57.9 | -36 | 178.8 | -27.6 | 36.6 | 0 | 0 | 0 | 114 | R1094 I1113 Q1176 F1179 L1180 | R1094-P1115 PolarHBondContact NE-O 3.3Å; R1094-P1115 VanDerWaalsContact O-CA 3.31Å; R1094-P1115 WeakPolarHBondContact O-CA 3.46Å; I1113-P1115 HydrophobicContact CD1-CG 3.96Å; I1113-P1115 HydrophobicContact CG1-CG 4.43Å; P1115-Q1176 WeakPolarHBondContact CB-O 3.27Å; P1115-Q1176 HydrophobicContact CG-CB 4.2Å; P1115-F1179 HydrophobicContact CB-CB 3.78Å; P1115-L1180 HydrophobicContact CB-CB 4.36Å; P1115-L1180 HydrophobicContact CG-CB 4.2Å |
| 1116 | I | 89 | Confident | 90.2 | Very high | 32 Ų | 32 | 54.2 Ų | 54.2 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -65.7 | -46.7 | 176.6 | -59 | 165.3 | 0 | 0 | 0 | 108.5 | R1094 N1114 D1118 S1121 E1175 Q1176 F1179 | R1094-I1116 PolarHBondContact NE-O 3.46Å; R1094-I1116 PolarHBondContact NH2-O 3.31Å; N1114-I1116 VanDerWaalsContact C-N 3.27Å; N1114-I1116 PolarHBondContact O-N 2.66Å; N1114-I1116 WeakPolarHBondContact OD1-CB 3.47Å; N1114-I1116 PolarHBondContact OD1-N 2.95Å; N1114-I1116 VanDerWaalsContact OD1-N 3.11Å; I1116-D1118 WeakPolarHBondContact CB-OD1 3.32Å; I1116-D1118 HydrophobicContact CG2-CB 4.09Å; I1116-D1118 WeakPolarHBondContact CG2-OD1 3.46Å; I1116-S1121 WeakPolarHBondContact CD1-OG 3.39Å; I1116-E1175 HydrophobicContact CD1-CB 4.07Å; I1116-Q1176 HydrophobicContact CD1-CG 3.66Å; I1116-Q1176 HydrophobicContact CG1-CG 4.09Å; I1116-F1179 HydrophobicContact CB-CD1 4.43Å; I1116-F1179 HydrophobicContact CB-CG 4.47Å; I1116-F1179 HydrophobicContact CG1-CB 4.18Å; I1116-F1179 HydrophobicContact CG1-CD1 4.2Å; I1116-F1179 HydrophobicContact CG1-CD2 3.69Å; I1116-F1179 HydrophobicContact CG1-CE2 4.05Å; I1116-F1179 HydrophobicContact CG1-CG 3.76Å; I1116-F1179 HydrophobicContact CG1-CZ 4.45Å; I1116-F1179 HydrophobicContact CG2-CE1 4.38Å; I1116-F1179 HydrophobicContact CG2-CZ 4.32Å |
| 1117 | G | 78.7 | Confident | 90.3 | Very high | 29 Ų | 29 | 53 Ų | 53 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | trans | 74.4 | 34.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1114 | N1114-G1117 PolarHBondContact ND2-N 3.17Å; N1114-G1117 WeakPolarHBondContact O-CA 3.45Å; N1114-G1117 PolarHBondContact O-N 3.22Å; N1114-G1117 VanDerWaalsContact O-N 3.11Å; N1114-G1117 PolarHBondContact OD1-N 2.74Å | ||
| 1118 | D | 79.4 | Confident | 90.3 | Very high | 57 Ų | 57 | 48.8 Ų | 48.8 | 31% | 0.305 | 27% | 0.269 | S | S | . | . | trans | -96.5 | -177.5 | 166.3 | 68.6 | -45.4 | 0 | 0 | 0 | 110.9 | N1114 I1116 I1120 S1121 | N1114-D1118 PolarHBondContact ND2-N 3.38Å; N1114-D1118 PolarHBondContact ND2-O 3.08Å; N1114-D1118 PolarHBondContact ND2-OD1 2.78Å; I1116-D1118 WeakPolarHBondContact CB-OD1 3.32Å; I1116-D1118 HydrophobicContact CG2-CB 4.09Å; I1116-D1118 WeakPolarHBondContact CG2-OD1 3.46Å; D1118-I1120 WeakPolarHBondContact OD2-CA 3.06Å; D1118-I1120 WeakPolarHBondContact OD2-CB 3.49Å; D1118-I1120 PolarHBondContact OD2-N 3.05Å; D1118-I1120 VanDerWaalsContact OD2-N 3.07Å; D1118-S1121 VanDerWaalsContact CG-OG 3.29Å; D1118-S1121 WeakPolarHBondContact OD1-CB 3.43Å; D1118-S1121 PolarHBondContact OD1-OG 2.99Å; D1118-S1121 PolarHBondContact OD2-N 3.02Å; D1118-S1121 PolarHBondContact OD2-OG 2.71Å | ||
| 1119 | I | 72.5 | Confident | 90.2 | Very high | 118 Ų | 118 | 48.6 Ų | 48.6 | 61% | 0.605 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -99.1 | -12.5 | 177.2 | -76.2 | 172.9 | 0 | 0 | 0 | 112.4 | ||
| 1120 | I | 69.8 | Low | 90.1 | Very high | 157 Ų | 157 | 48 Ų | 48 | 81% | 0.805 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -90.2 | -40.9 | -172.6 | -56.9 | 169.4 | 0 | 0 | 0 | 110.8 | D1118 S1122 | D1118-I1120 WeakPolarHBondContact OD2-CA 3.06Å; D1118-I1120 WeakPolarHBondContact OD2-CB 3.49Å; D1118-I1120 PolarHBondContact OD2-N 3.05Å; D1118-I1120 VanDerWaalsContact OD2-N 3.07Å; I1120-S1122 PolarHBondContact O-N 3.21Å |
| 1121 | S | 79.2 | Confident | 89.8 | Confident | 35 Ų | 35 | 52.2 Ų | 52.2 | 25% | 0.245 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -71.4 | 119 | 179.3 | -49.3 | 0 | 0 | 0 | 0 | 111.3 | N1114 I1116 D1118 | N1114-S1121 PolarHBondContact ND2-O 3.29Å; I1116-S1121 WeakPolarHBondContact CD1-OG 3.39Å; D1118-S1121 VanDerWaalsContact CG-OG 3.29Å; D1118-S1121 WeakPolarHBondContact OD1-CB 3.43Å; D1118-S1121 PolarHBondContact OD1-OG 2.99Å; D1118-S1121 PolarHBondContact OD2-N 3.02Å; D1118-S1121 PolarHBondContact OD2-OG 2.71Å |
| 1122 | S | 88 | Confident | 89.6 | Confident | 97 Ų | 97 | 52.9 Ų | 52.9 | 68% | 0.678 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 132.6 | 172.5 | -59.9 | 0 | 0 | 0 | 0 | 110.7 | I1120 Q1176 | I1120-S1122 PolarHBondContact O-N 3.21Å; S1122-Q1176 PolarHBondContact O-NE2 3.42Å |
| 1123 | P | 92.6 | Very high | 89.5 | Confident | 36 Ų | 36 | 51.6 Ų | 51.6 | 23% | 0.234 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 142.4 | 177.1 | 27.7 | -33.5 | 0 | 0 | 0 | 110.7 | P1092 W1112 I1113 | P1092-P1123 HydrophobicContact CB-CB 3.83Å; P1092-P1123 HydrophobicContact CG-CB 4.03Å; W1112-P1123 HydrophobicContact CB-CB 4.41Å; W1112-P1123 HydrophobicContact CE3-CB 4.2Å; W1112-P1123 HydrophobicContact CE3-CG 4.15Å; W1112-P1123 VanDerWaalsContact CE3-O 3.27Å; W1112-P1123 VanDerWaalsContact CZ3-O 3.26Å; W1112-P1123 WeakPolarHBondContact CZ3-O 3.46Å; I1113-P1123 CarbonylContact O-C 3.6Å; I1113-P1123 VanDerWaalsContact O-CA 3.25Å; I1113-P1123 WeakPolarHBondContact O-CA 3.19Å; I1113-P1123 WeakPolarHBondContact O-CB 3.41Å |
| 1124 | T | 94.5 | Very high | 89.5 | Confident | 16 Ų | 16 | 51.9 Ų | 51.9 | 10% | 0.098 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 137.2 | 176 | -73.9 | 0 | 0 | 0 | 0 | 110.5 | W1112 I1113 V1126 G1171 I1172 Q1176 | W1112-T1124 WeakPolarHBondContact CA-O 3.29Å; I1113-T1124 PolarHBondContact N-O 3.26Å; I1113-T1124 PolarHBondContact O-N 2.94Å; T1124-V1126 HydrophobicContact CG2-CG1 3.98Å; T1124-G1171 WeakPolarHBondContact CG2-O 3.34Å; T1124-I1172 HydrophobicContact CG2-CB 4.05Å; T1124-I1172 HydrophobicContact CG2-CD1 4.37Å; T1124-I1172 HydrophobicContact CG2-CG1 4.04Å; T1124-Q1176 PolarHBondContact OG1-OE1 3.25Å |
| 1125 | K | 96.2 | Very high | 89.6 | Confident | 100 Ų | 100 | 51.7 Ų | 51.7 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 125.1 | 172.6 | -156.7 | -169.2 | -167.6 | -159 | 0 | 110.3 | E1110 Y1111 W1112 | E1110-K1125 VanDerWaalsContact OE2-CE 3.3Å; E1110-K1125 WeakPolarHBondContact OE2-CE 3.49Å; E1110-K1125 IonicContact OE2-NZ 3.57Å; E1110-K1125 PolarHBondContact OE2-NZ 3.16Å; Y1111-K1125 CarbonylContact O-C 3.2Å; Y1111-K1125 WeakPolarHBondContact O-CA 3.32Å; W1112-K1125 HydrophobicContact CD2-CB 4Å; W1112-K1125 HydrophobicContact CD2-CG 4.1Å; W1112-K1125 HydrophobicContact CE3-CB 3.92Å; W1112-K1125 HydrophobicContact CH2-CB 4.07Å; W1112-K1125 HydrophobicContact CZ2-CB 4.13Å; W1112-K1125 HydrophobicContact CZ2-CD 4.1Å; W1112-K1125 HydrophobicContact CZ2-CG 4.16Å; W1112-K1125 HydrophobicContact CZ3-CB 3.96Å |
| 1126 | V | 97.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 160.8 | -176.5 | -66.4 | 0 | 0 | 0 | 0 | 111.3 | E1110 Y1111 I1113 T1124 T1135 I1137 | E1110-V1126 CarbonylContact C-O 3.43Å; E1110-V1126 VanDerWaalsContact CA-O 3.28Å; E1110-V1126 WeakPolarHBondContact CA-O 3.46Å; Y1111-V1126 PolarHBondContact N-O 3.04Å; Y1111-V1126 WeakPolarHBondContact O-CG2 3.27Å; Y1111-V1126 PolarHBondContact O-N 2.82Å; I1113-V1126 HydrophobicContact CB-CG2 4.44Å; I1113-V1126 HydrophobicContact CD1-CB 4.44Å; I1113-V1126 HydrophobicContact CD1-CG1 3.76Å; I1113-V1126 HydrophobicContact CD1-CG2 3.88Å; I1113-V1126 HydrophobicContact CG1-CG1 3.91Å; I1113-V1126 HydrophobicContact CG1-CG2 3.82Å; I1113-V1126 HydrophobicContact CG2-CG2 3.85Å; T1124-V1126 HydrophobicContact CG2-CG1 3.98Å; V1126-T1135 HydrophobicContact CB-CG2 4.27Å; V1126-T1135 HydrophobicContact CG1-CG2 4.17Å; V1126-T1135 HydrophobicContact CG2-CG2 4.16Å; V1126-I1137 HydrophobicContact CG1-CG1 3.88Å |
| 1127 | S | 97.3 | Very high | 90.3 | Very high | 25 Ų | 25 | 49.9 Ų | 49.9 | 18% | 0.175 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 117.2 | 167 | -178 | 0 | 0 | 0 | 0 | 109.2 | G1109 C1136 | G1109-S1127 CarbonylContact O-C 3.43Å; S1127-C1136 PolarHBondContact N-O 2.95Å; S1127-C1136 WeakPolarHBondContact O-CA 3.3Å; S1127-C1136 WeakPolarHBondContact O-CB 3.46Å; S1127-C1136 PolarHBondContact O-N 3.06Å |
| 1128 | C | 96.9 | Very high | 91 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 129.6 | 174.5 | -64.2 | 0 | 0 | 0 | 0 | 110.9 | C1096 D1108 G1109 Y1111 M1130 | C1096-C1128 VanDerWaalsContact CA-SG 3.6Å; C1096-C1128 HydrophobicContact CB-CB 3.47Å; C1096-C1128 VanDerWaalsContact CB-CB 3.47Å; C1096-C1128 WeakPolarHBondContact CB-SG 3.3Å; C1096-C1128 WeakPolarHBondContact SG-CA 3.12Å; C1096-C1128 WeakPolarHBondContact SG-CB 3.47Å; C1096-C1128 CovalentContact SG-SG 2.03Å; C1096-C1128 PolarHBondContact SG-SG 2.94Å; D1108-C1128 CarbonylContact C-O 3.59Å; D1108-C1128 VanDerWaalsContact CA-O 3.27Å; D1108-C1128 WeakPolarHBondContact CA-O 3.45Å; G1109-C1128 PolarHBondContact N-O 3.25Å; G1109-C1128 PolarHBondContact O-N 2.68Å; Y1111-C1128 HydrophobicContact CD2-CB 3.65Å; Y1111-C1128 HydrophobicContact CE2-CB 4.12Å; C1128-M1130 HydrophobicContact CB-CE 3.88Å; C1128-M1130 HydrophobicContact CB-SD 3.95Å |
| 1129 | R | 95.5 | Very high | 91.8 | Very high | 69 Ų | 69 | 51 Ų | 51 | 26% | 0.26 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 96.3 | 162 | -57.6 | 175.7 | -178.5 | 154.5 | 2 | 107.6 | D1108 K1131 T1132 K1133 E1134 | D1108-R1129 VanDerWaalsContact OD1-C 3.28Å; D1108-R1129 VanDerWaalsContact OD1-CA 3.3Å; D1108-R1129 WeakPolarHBondContact OD1-CA 3.23Å; R1129-K1131 VanDerWaalsContact C-N 3.25Å; R1129-K1131 PolarHBondContact O-N 2.9Å; R1129-T1132 WeakPolarHBondContact CB-OG1 3.47Å; R1129-T1132 PolarHBondContact O-N 2.94Å; R1129-K1133 VanDerWaalsContact O-CA 3.32Å; R1129-K1133 WeakPolarHBondContact O-CA 3.43Å; R1129-K1133 PolarHBondContact O-N 2.98Å; R1129-E1134 HydrophobicContact CB-CB 4.21Å; R1129-E1134 WeakPolarHBondContact CD-OE2 3.45Å; R1129-E1134 IonicContact CZ-OE2 2.96Å; R1129-E1134 PolarHBondContact N-O 3.14Å; R1129-E1134 IonicContact NE-OE2 3.16Å; R1129-E1134 IonicContact NH1-OE2 3.24Å; R1129-E1134 PolarHBondContact NH1-OE2 3.08Å; R1129-E1134 PolarHBondContact O-N 2.89Å; R1129-E1134 VanDerWaalsContact O-N 3.17Å |
| 1130 | M | 94.1 | Very high | 92.7 | Very high | 11 Ų | 11 | 51.1 Ų | 51.1 | 5% | 0.054 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -36.5 | -175.2 | -58.9 | -58.3 | -169.9 | 0 | 0 | 111.5 | L1099 A1100 K1106 P1107 D1108 Y1111 C1128 T1132 K1133 | L1099-M1130 HydrophobicContact CB-CE 4.5Å; L1099-M1130 HydrophobicContact CD2-CE 3.49Å; L1099-M1130 VanDerWaalsContact CD2-CE 3.49Å; L1099-M1130 HydrophobicContact CG-CE 3.73Å; L1099-M1130 HydrophobicContact CG-SD 4.36Å; A1100-M1130 HydrophobicContact CB-CB 4.2Å; A1100-M1130 HydrophobicContact CB-SD 3.89Å; K1106-M1130 HydrophobicContact CB-CE 3.83Å; K1106-M1130 HydrophobicContact CB-CG 4.34Å; K1106-M1130 VanDerWaalsContact O-CG 3.32Å; K1106-M1130 WeakPolarHBondContact O-CG 3.25Å; P1107-M1130 WeakPolarHBondContact O-CG 3.39Å; D1108-M1130 PolarHBondContact OD1-N 3.37Å; Y1111-M1130 HydrophobicContact CD1-CE 4.39Å; Y1111-M1130 HydrophobicContact CD2-CE 3.65Å; Y1111-M1130 HydrophobicContact CE1-CE 4.03Å; Y1111-M1130 HydrophobicContact CE2-CE 3.21Å; Y1111-M1130 HydrophobicContact CG-CE 4.21Å; Y1111-M1130 VanDerWaalsContact CZ-CE 3.42Å; C1128-M1130 HydrophobicContact CB-CE 3.88Å; C1128-M1130 HydrophobicContact CB-SD 3.95Å; M1130-T1132 PolarHBondContact O-N 3.22Å; M1130-K1133 PolarHBondContact O-N 3.12Å |
| 1131 | K | 91.1 | Very high | 93.6 | Very high | 180 Ų | 180 | 48.8 Ų | 48.8 | 78% | 0.783 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -35.3 | -179.3 | -69.3 | 172.8 | -177.4 | 160.6 | 0 | 114.2 | D1108 R1129 | D1108-K1131 PolarHBondContact OD1-N 3.36Å; D1108-K1131 IonicContact OD2-NZ 2.7Å; R1129-K1131 VanDerWaalsContact C-N 3.25Å; R1129-K1131 PolarHBondContact O-N 2.9Å |
| 1132 | T | 91.2 | Very high | 94.1 | Very high | 44 Ų | 44 | 49.6 Ų | 49.6 | 27% | 0.27 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 1.3 | 178.6 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | R1129 M1130 E1134 T1283 | R1129-T1132 WeakPolarHBondContact CB-OG1 3.47Å; R1129-T1132 PolarHBondContact O-N 2.94Å; M1130-T1132 PolarHBondContact O-N 3.22Å; T1132-E1134 WeakPolarHBondContact CB-OE1 3.16Å; T1132-E1134 PolarHBondContact O-N 2.93Å; T1132-E1134 WeakPolarHBondContact OG1-CG 3.41Å; T1132-E1134 PolarHBondContact OG1-OE1 3.03Å; T1132-T1283 PolarHBondContact O-OG1 3.47Å; T1132-T1283 VanDerWaalsContact O-OG1 3.09Å |
| 1133 | K | 93.6 | Very high | 94.3 | Very high | 60 Ų | 60 | 50.9 Ų | 50.9 | 26% | 0.261 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 24 | -177.4 | -59.1 | -171.4 | -177 | -179.6 | 0 | 113.7 | A1097 A1100 D1101 R1129 M1130 | A1097-K1133 HydrophobicContact CB-CB 3.88Å; A1100-K1133 HydrophobicContact CB-CG 4.06Å; D1101-K1133 IonicContact OD1-NZ 2.84Å; D1101-K1133 PolarHBondContact OD1-NZ 3.3Å; R1129-K1133 VanDerWaalsContact O-CA 3.32Å; R1129-K1133 WeakPolarHBondContact O-CA 3.43Å; R1129-K1133 PolarHBondContact O-N 2.98Å; M1130-K1133 PolarHBondContact O-N 3.12Å |
| 1134 | E | 95.5 | Very high | 94 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.028 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 134.5 | -179.7 | -71.6 | 161.8 | -128.8 | 0 | 0 | 111.8 | C1096 R1129 T1132 C1281 Y1282 T1283 F1289 | C1096-E1134 VanDerWaalsContact CB-O 3.3Å; C1096-E1134 WeakPolarHBondContact CB-O 3.35Å; R1129-E1134 HydrophobicContact CB-CB 4.21Å; R1129-E1134 WeakPolarHBondContact CD-OE2 3.45Å; R1129-E1134 IonicContact CZ-OE2 2.96Å; R1129-E1134 PolarHBondContact N-O 3.14Å; R1129-E1134 IonicContact NE-OE2 3.16Å; R1129-E1134 IonicContact NH1-OE2 3.24Å; R1129-E1134 PolarHBondContact NH1-OE2 3.08Å; R1129-E1134 PolarHBondContact O-N 2.89Å; R1129-E1134 VanDerWaalsContact O-N 3.17Å; T1132-E1134 WeakPolarHBondContact CB-OE1 3.16Å; T1132-E1134 PolarHBondContact O-N 2.93Å; T1132-E1134 WeakPolarHBondContact OG1-CG 3.41Å; T1132-E1134 PolarHBondContact OG1-OE1 3.03Å; E1134-C1281 HydrophobicContact CB-CB 4.28Å; E1134-C1281 HydrophobicContact CG-CB 4.4Å; E1134-Y1282 CarbonylContact C-O 3.45Å; E1134-Y1282 WeakPolarHBondContact CA-O 3.4Å; E1134-T1283 HydrophobicContact CG-CG2 4.2Å; E1134-F1289 HydrophobicContact CG-CZ 4.21Å |
| 1135 | T | 97.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 100.7 | 168.7 | -53.3 | 0 | 0 | 0 | 0 | 108.3 | C1096 I1113 V1126 L1180 C1281 Y1282 | C1096-T1135 WeakPolarHBondContact CB-OG1 3.29Å; C1096-T1135 PolarHBondContact N-OG1 3.41Å; I1113-T1135 HydrophobicContact CD1-CG2 3.52Å; V1126-T1135 HydrophobicContact CB-CG2 4.27Å; V1126-T1135 HydrophobicContact CG1-CG2 4.17Å; V1126-T1135 HydrophobicContact CG2-CG2 4.16Å; T1135-L1180 HydrophobicContact CG2-CD1 3.89Å; T1135-L1180 HydrophobicContact CG2-CD2 3.75Å; T1135-C1281 WeakPolarHBondContact O-CA 3.33Å; T1135-Y1282 PolarHBondContact N-O 3.42Å; T1135-Y1282 PolarHBondContact O-N 3.37Å |
| 1136 | C | 97.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 123 | -176.7 | -61.8 | 0 | 0 | 0 | 0 | 111.6 | S1127 D1279 V1280 C1281 | S1127-C1136 PolarHBondContact N-O 2.95Å; S1127-C1136 WeakPolarHBondContact O-CA 3.3Å; S1127-C1136 WeakPolarHBondContact O-CB 3.46Å; S1127-C1136 PolarHBondContact O-N 3.06Å; C1136-D1279 HydrophobicContact CB-CB 4.07Å; C1136-V1280 CarbonylContact C-O 3.56Å; C1136-V1280 WeakPolarHBondContact CA-O 3.31Å; C1136-C1281 HydrophobicContact CB-CB 4.16Å; C1136-C1281 WeakPolarHBondContact CB-SG 3.29Å; C1136-C1281 WeakPolarHBondContact SG-CB 3.35Å; C1136-C1281 CovalentContact SG-SG 2.05Å; C1136-C1281 PolarHBondContact SG-SG 2.73Å |
| 1137 | I | 97.4 | Very high | 90.7 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 129.9 | 177.9 | -62.4 | 149.5 | 0 | 0 | 0 | 109 | V1126 I1172 L1177 L1180 D1279 V1280 Y1282 | V1126-I1137 HydrophobicContact CG1-CG1 3.88Å; I1137-I1172 HydrophobicContact CD1-CB 4.33Å; I1137-I1172 HydrophobicContact CD1-CD1 3.63Å; I1137-I1172 HydrophobicContact CD1-CG2 4.05Å; I1137-I1172 HydrophobicContact CG1-CD1 4.31Å; I1137-I1172 HydrophobicContact CG2-CB 4.15Å; I1137-I1172 HydrophobicContact CG2-CG2 3.94Å; I1137-L1177 HydrophobicContact CD1-CD1 4.3Å; I1137-L1180 HydrophobicContact CD1-CD2 3.45Å; I1137-L1180 VanDerWaalsContact CD1-CD2 3.45Å; I1137-L1180 HydrophobicContact CG1-CD2 4.43Å; I1137-D1279 VanDerWaalsContact O-CA 3.28Å; I1137-D1279 WeakPolarHBondContact O-CA 3.2Å; I1137-V1280 HydrophobicContact CB-CG1 3.96Å; I1137-V1280 PolarHBondContact N-O 3.4Å; I1137-V1280 PolarHBondContact O-N 2.99Å; I1137-Y1282 HydrophobicContact CD1-CD2 4.18Å; I1137-Y1282 HydrophobicContact CD1-CE2 3.96Å |
| 1138 | K | 95.1 | Very high | 88.5 | Confident | 96 Ų | 96 | 58.5 Ų | 58.5 | 42% | 0.417 | 28% | 0.284 | S | S | . | . | trans | -79.3 | 143.3 | 179.1 | -68.5 | 175 | 175.1 | 177.8 | 0 | 111.3 | E1110 G1171 | E1110-K1138 IonicContact OE1-NZ 2.71Å; E1110-K1138 PolarHBondContact OE1-NZ 3.26Å; K1138-G1171 PolarHBondContact O-N 3.01Å | ||
| 1139 | P | 94.5 | Very high | 86.5 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -65.3 | 146.1 | 166.2 | 29.4 | -34.8 | 0 | 0 | 0 | 110.5 | Q1141 A1142 Y1170 L1277 | P1139-Q1141 PolarHBondContact O-N 2.71Å; P1139-A1142 HydrophobicContact CG-CB 4.11Å; P1139-Y1170 HydrophobicContact CB-CD1 4Å; P1139-Y1170 HydrophobicContact CB-CE1 3.85Å; P1139-L1277 HydrophobicContact CB-CB 4.06Å; P1139-L1277 HydrophobicContact CB-CD1 4.28Å; P1139-L1277 HydrophobicContact CG-CB 3.82Å |
| 1140 | K | 92 | Very high | 84.5 | Confident | 120 Ų | 120 | 67.6 Ų | 67.6 | 52% | 0.522 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -67.5 | -26.1 | 173.7 | -74.6 | 173 | 179.9 | 146.1 | 0 | 111.9 | N1169 Y1170 | K1140-N1169 HydrophobicContact CD-CB 4.23Å; K1140-N1169 WeakPolarHBondContact CD-OD1 2.97Å; K1140-N1169 PolarHBondContact N-O 3Å; K1140-N1169 PolarHBondContact NZ-OD1 3.39Å; K1140-Y1170 WeakPolarHBondContact CE-O 3.18Å; K1140-Y1170 PolarHBondContact NZ-O 2.95Å |
| 1141 | Q | 89.5 | Confident | 82.4 | Confident | 107 Ų | 107 | 69.5 Ų | 69.5 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | trans | -127.2 | 102.1 | 171.1 | -62.7 | -176 | 11.4 | 0 | 0 | 109.4 | P1139 K1143 I1144 | P1139-Q1141 PolarHBondContact O-N 2.71Å; Q1141-K1143 VanDerWaalsContact C-N 3.33Å; Q1141-I1144 HydrophobicContact CB-CD1 4.47Å; Q1141-I1144 HydrophobicContact CB-CG1 4.32Å | ||
| 1142 | A | 90.2 | Very high | 80.5 | Confident | 53 Ų | 53 | 65 Ų | 65 | 44% | 0.438 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -78 | -14.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | P1139 I1276 L1277 | P1139-A1142 HydrophobicContact CG-CB 4.11Å; A1142-I1276 WeakPolarHBondContact O-CA 2.98Å; A1142-L1277 PolarHBondContact O-N 3.49Å |
| 1143 | K | 90.9 | Very high | 78.5 | Confident | 123 Ų | 123 | 74.5 Ų | 74.5 | 54% | 0.535 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 128.6 | -178.5 | -82.9 | 171.1 | 158.7 | -92.9 | 0 | 110.1 | Q1141 E1274 L1275 I1276 | Q1141-K1143 VanDerWaalsContact C-N 3.33Å; K1143-E1274 WeakPolarHBondContact CD-OE1 3.09Å; K1143-E1274 IonicContact NZ-OE1 2.75Å; K1143-E1274 PolarHBondContact NZ-OE1 3.24Å; K1143-E1274 IonicContact NZ-OE2 2.67Å; K1143-E1274 PolarHBondContact NZ-OE2 3.32Å; K1143-L1275 CarbonylContact C-O 3.59Å; K1143-L1275 WeakPolarHBondContact CA-O 3.09Å; K1143-I1276 HydrophobicContact CG-CG1 4.33Å |
| 1144 | I | 87 | Confident | 76.4 | Confident | 7 Ų | 7 | 78.3 Ų | 78.3 | 4% | 0.036 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 123 | 179.7 | -67 | 157.1 | 0 | 0 | 0 | 108.8 | Q1141 L1159 V1165 L1168 E1274 L1275 L1277 | Q1141-I1144 HydrophobicContact CB-CD1 4.47Å; Q1141-I1144 HydrophobicContact CB-CG1 4.32Å; I1144-L1159 HydrophobicContact CD1-CD2 4.31Å; I1144-L1159 HydrophobicContact CG2-CD1 4.43Å; I1144-L1159 HydrophobicContact CG2-CD2 4.31Å; I1144-V1165 HydrophobicContact CD1-CG1 3.94Å; I1144-V1165 HydrophobicContact CG1-CG1 4.29Å; I1144-V1165 HydrophobicContact CG2-CG2 4.01Å; I1144-L1168 HydrophobicContact CD1-CD2 3.47Å; I1144-L1168 VanDerWaalsContact CD1-CD2 3.47Å; I1144-E1274 CarbonylContact O-C 3.56Å; I1144-E1274 WeakPolarHBondContact O-CA 3.35Å; I1144-L1275 HydrophobicContact CB-CB 4.29Å; I1144-L1275 HydrophobicContact CD1-CD2 4.2Å; I1144-L1275 PolarHBondContact N-O 3.36Å; I1144-L1275 PolarHBondContact O-N 2.88Å; I1144-L1277 HydrophobicContact CD1-CD1 4.23Å |
| 1145 | S | 81.2 | Confident | 74.4 | Confident | 74 Ų | 74 | 79.3 Ų | 79.3 | 52% | 0.517 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 123.1 | 179.9 | -75.5 | 0 | 0 | 0 | 0 | 111.8 | N1147 | S1145-N1147 VanDerWaalsContact C-N 3.29Å; S1145-N1147 PolarHBondContact O-N 3.31Å |
| 1146 | M | 74.3 | Confident | 72.8 | Confident | 10 Ų | 10 | 87.7 Ų | 87.7 | 5% | 0.049 | 42% | 0.415 | C | S | . | . | trans | -92.5 | 24.2 | -173.7 | -60.1 | -176.6 | 68.4 | 0 | 0 | 113.2 | K1148 I1149 L1159 M1162 L1265 Y1273 | M1146-K1148 VanDerWaalsContact C-N 3.3Å; M1146-K1148 PolarHBondContact O-N 3.46Å; M1146-K1148 VanDerWaalsContact O-N 3.14Å; M1146-I1149 HydrophobicContact CB-CD1 3.76Å; M1146-I1149 HydrophobicContact CE-CD1 3.52Å; M1146-I1149 HydrophobicContact CG-CD1 4.34Å; M1146-I1149 WeakPolarHBondContact O-CG1 3.48Å; M1146-I1149 PolarHBondContact O-N 3.33Å; M1146-L1159 HydrophobicContact CE-CD1 3.86Å; M1146-L1159 HydrophobicContact CG-CD1 4.2Å; M1146-L1159 HydrophobicContact SD-CD1 4.3Å; M1146-M1162 HydrophobicContact CE-CE 3.95Å; M1146-L1265 HydrophobicContact CE-CD1 3.7Å; M1146-L1265 HydrophobicContact CE-CG 4.38Å; M1146-L1265 HydrophobicContact SD-CD1 3.77Å; M1146-Y1273 WeakPolarHBondContact CB-O 3.39Å; M1146-Y1273 PolarHBondContact N-O 2.82Å | ||
| 1147 | N | 62 | Low | 71.5 | Confident | 85 Ų | 85 | 91.5 Ų | 91.5 | 46% | 0.455 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 0.8 | -158.7 | -55.1 | -7.5 | 0 | 0 | 0 | 115.6 | S1145 N1272 | S1145-N1147 VanDerWaalsContact C-N 3.29Å; S1145-N1147 PolarHBondContact O-N 3.31Å; N1147-N1272 WeakPolarHBondContact CA-OD1 3.48Å; N1147-N1272 WeakPolarHBondContact CB-OD1 3.4Å |
| 1148 | K | 52.6 | Low | 70.8 | Confident | 165 Ų | 165 | 93.5 Ų | 93.5 | 72% | 0.717 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | -5.3 | -179.3 | -68.6 | -173.9 | -171.6 | 172.5 | 0 | 114 | M1146 R1150 E1164 | M1146-K1148 VanDerWaalsContact C-N 3.3Å; M1146-K1148 PolarHBondContact O-N 3.46Å; M1146-K1148 VanDerWaalsContact O-N 3.14Å; K1148-R1150 PolarHBondContact O-N 2.91Å; K1148-E1164 IonicContact NZ-OE1 3.31Å; K1148-E1164 PolarHBondContact NZ-OE1 2.76Å |
| 1149 | I | 54.7 | Low | 70.2 | Confident | 34 Ų | 34 | 89.1 Ų | 89.1 | 17% | 0.174 | 42% | 0.42 | C | S | . | . | trans | -70.3 | 122.6 | -172.2 | -55 | 176.3 | 0 | 0 | 0 | 109.5 | M1146 P1151 M1162 L1268 | M1146-I1149 HydrophobicContact CB-CD1 3.76Å; M1146-I1149 HydrophobicContact CE-CD1 3.52Å; M1146-I1149 HydrophobicContact CG-CD1 4.34Å; M1146-I1149 WeakPolarHBondContact O-CG1 3.48Å; M1146-I1149 PolarHBondContact O-N 3.33Å; I1149-P1151 WeakPolarHBondContact O-CD 3.26Å; I1149-M1162 HydrophobicContact CD1-CB 3.73Å; I1149-M1162 HydrophobicContact CD1-CE 4.06Å; I1149-M1162 HydrophobicContact CD1-CG 4.38Å; I1149-M1162 HydrophobicContact CD1-SD 3.83Å; I1149-M1162 HydrophobicContact CG1-CB 3.94Å; I1149-M1162 HydrophobicContact CG2-CB 4.19Å; I1149-M1162 HydrophobicContact CG2-CG 4.14Å; I1149-M1162 HydrophobicContact CG2-SD 3.62Å; I1149-L1268 HydrophobicContact CG2-CD1 4.29Å | ||
| 1150 | R | 52.2 | Low | 69.5 | Low | 226 Ų | 226 | 92.8 Ų | 92.8 | 85% | 0.853 | 44% | 0.436 | S | S | * | . | trans | -91.8 | 102.2 | 169.3 | -68.9 | -169.5 | -177.2 | -154.9 | 3.4 | 109.1 | K1148 T1152 | K1148-R1150 PolarHBondContact O-N 2.91Å; R1150-T1152 PolarHBondContact O-N 3.37Å; R1150-T1152 VanDerWaalsContact O-N 3.17Å | ||
| 1151 | P | 51.2 | Low | 68.6 | Low | 52 Ų | 52 | 92.6 Ų | 92.6 | 34% | 0.338 | 44% | 0.437 | S | S | . | . | trans | -68.7 | 115.4 | 179 | 27.9 | -34.3 | 0 | 0 | 0 | 110.2 | I1149 L1268 | I1149-P1151 WeakPolarHBondContact O-CD 3.26Å; P1151-L1268 HydrophobicContact CB-CB 4.18Å; P1151-L1268 VanDerWaalsContact CB-O 3.31Å; P1151-L1268 WeakPolarHBondContact CB-O 3.44Å; P1151-L1268 WeakPolarHBondContact CG-O 3.44Å | ||
| 1152 | T | 51.2 | Low | 67.4 | Low | 86 Ų | 86 | 89 Ų | 89 | 53% | 0.528 | 42% | 0.42 | S | S | . | . | trans | -78.6 | 146.2 | 162.3 | 52 | 0 | 0 | 0 | 0 | 108.4 | R1150 N1154 S1155 | R1150-T1152 PolarHBondContact O-N 3.37Å; R1150-T1152 VanDerWaalsContact O-N 3.17Å; T1152-N1154 PolarHBondContact O-N 3.2Å; T1152-S1155 PolarHBondContact O-N 3.12Å; T1152-S1155 PolarHBondContact O-OG 2.96Å; T1152-S1155 WeakPolarHBondContact OG1-CB 3.35Å; T1152-S1155 PolarHBondContact OG1-OG 3.13Å | ||
| 1153 | R | 47.6 | Very low | 66.3 | Low | 243 Ų | 243 | 88.2 Ų | 88.2 | 92% | 0.917 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 126.6 | -175.4 | -70.9 | -177.7 | 175.5 | 179.1 | -2.1 | 109.8 | ||
| 1154 | N | 50.4 | Low | 65.1 | Low | 139 Ų | 139 | 90.2 Ų | 90.2 | 74% | 0.743 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 9.8 | -179.4 | -55.3 | 4.8 | 0 | 0 | 0 | 117.3 | T1152 R1156 | T1152-N1154 PolarHBondContact O-N 3.2Å; N1154-R1156 PolarHBondContact O-N 3.18Å |
| 1155 | S | 53.5 | Low | 64 | Low | 28 Ų | 28 | 91.3 Ų | 91.3 | 20% | 0.196 | 43% | 0.43 | C | S | . | . | trans | -76.4 | 117.2 | 176.9 | 59.5 | 0 | 0 | 0 | 0 | 113.3 | T1152 F1157 | T1152-S1155 PolarHBondContact O-N 3.12Å; T1152-S1155 PolarHBondContact O-OG 2.96Å; T1152-S1155 WeakPolarHBondContact OG1-CB 3.35Å; T1152-S1155 PolarHBondContact OG1-OG 3.13Å; S1155-F1157 VanDerWaalsContact C-N 3.34Å; S1155-F1157 VanDerWaalsContact CB-CD2 3.46Å; S1155-F1157 PolarHBondContact O-N 2.86Å; S1155-F1157 WeakPolarHBondContact OG-CD2 2.86Å; S1155-F1157 VanDerWaalsContact OG-CE2 3.31Å; S1155-F1157 WeakPolarHBondContact OG-CE2 2.87Å | ||
| 1156 | R | 63.6 | Low | 63.5 | Low | 178 Ų | 178 | 94.5 Ų | 94.5 | 67% | 0.672 | 44% | 0.441 | S | S | * | . | trans | -86.1 | 65.9 | 169.4 | -64.1 | -178.5 | -179.4 | 163.5 | -3.3 | 110.9 | N1154 N1264 I1266 | N1154-R1156 PolarHBondContact O-N 3.18Å; R1156-N1264 VanDerWaalsContact C-ND2 3.31Å; R1156-N1264 WeakPolarHBondContact CA-OD1 3.45Å; R1156-N1264 PolarHBondContact O-ND2 2.9Å; R1156-I1266 HydrophobicContact CG-CG1 4.31Å; R1156-I1266 HydrophobicContact CG-CG2 4.42Å | ||
| 1157 | F | 70.2 | Confident | 63.7 | Low | 80 Ų | 80 | 97.2 Ų | 97.2 | 35% | 0.351 | 45% | 0.453 | S | S | . | . | trans | -83.2 | 143.8 | -179.5 | -62 | -51.6 | 0 | 0 | 0 | 112.6 | S1155 E1161 M1162 N1264 | S1155-F1157 VanDerWaalsContact C-N 3.34Å; S1155-F1157 VanDerWaalsContact CB-CD2 3.46Å; S1155-F1157 PolarHBondContact O-N 2.86Å; S1155-F1157 WeakPolarHBondContact OG-CD2 2.86Å; S1155-F1157 VanDerWaalsContact OG-CE2 3.31Å; S1155-F1157 WeakPolarHBondContact OG-CE2 2.87Å; F1157-E1161 WeakPolarHBondContact CA-OE2 3.42Å; F1157-E1161 HydrophobicContact CB-CB 4.4Å; F1157-M1162 HydrophobicContact CB-CE 4.37Å; F1157-M1162 HydrophobicContact CB-CG 3.32Å; F1157-M1162 HydrophobicContact CB-SD 3.58Å; F1157-M1162 VanDerWaalsContact CB-SD 3.58Å; F1157-M1162 HydrophobicContact CD2-CG 4.2Å; F1157-M1162 HydrophobicContact CD2-SD 4.45Å; F1157-M1162 HydrophobicContact CG-CG 4.12Å; F1157-M1162 VanDerWaalsContact O-CE 3.32Å; F1157-M1162 WeakPolarHBondContact O-CE 3.43Å; F1157-N1264 PolarHBondContact O-ND2 3.42Å; F1157-N1264 PolarHBondContact O-OD1 2.85Å | ||
| 1158 | W | 83.3 | Confident | 65 | Low | 44 Ų | 44 | 93.7 Ų | 93.7 | 17% | 0.167 | 44% | 0.435 | C | S | . | . | B | Isolated β-bridge | trans | -83.3 | 160.5 | 171 | -67.9 | 101.7 | 0 | 0 | 0 | 111.5 | Q1160 E1161 M1162 L1214 L1216 I1222 D1262 N1264 | W1158-Q1160 VanDerWaalsContact C-N 3.29Å; W1158-Q1160 HydrophobicContact CB-CG 4.4Å; W1158-Q1160 PolarHBondContact O-N 2.94Å; W1158-E1161 HydrophobicContact CB-CG 4.14Å; W1158-E1161 PolarHBondContact N-OE2 3.05Å; W1158-E1161 WeakPolarHBondContact O-CB 3.17Å; W1158-E1161 PolarHBondContact O-N 3.17Å; W1158-M1162 WeakPolarHBondContact O-CG 3.39Å; W1158-M1162 PolarHBondContact O-N 2.9Å; W1158-L1214 HydrophobicContact CH2-CB 4.26Å; W1158-L1216 HydrophobicContact CE3-CB 4.42Å; W1158-L1216 HydrophobicContact CH2-CB 3.93Å; W1158-L1216 HydrophobicContact CZ3-CB 3.74Å; W1158-I1222 HydrophobicContact CH2-CG1 4.3Å; W1158-I1222 HydrophobicContact CZ2-CD1 4.13Å; W1158-I1222 HydrophobicContact CZ2-CG1 4.26Å; W1158-D1262 HydrophobicContact CE3-CB 3.76Å; W1158-D1262 HydrophobicContact CZ3-CB 4.28Å; W1158-N1264 HydrophobicContact CD2-CB 3.96Å; W1158-N1264 HydrophobicContact CE3-CB 3.7Å; W1158-N1264 HydrophobicContact CH2-CB 4.13Å; W1158-N1264 HydrophobicContact CZ2-CB 4.36Å; W1158-N1264 HydrophobicContact CZ3-CB 3.79Å; W1158-N1264 PolarHBondContact N-ND2 2.8Å |
| 1159 | L | 81.4 | Confident | 66.7 | Low | 3 Ų | 3 | 90.3 Ų | 90.3 | 2% | 0.016 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.8 | -37.5 | -176.2 | -177 | 63.7 | 0 | 0 | 0 | 112.2 | I1144 M1146 E1161 M1162 S1163 L1168 D1262 I1263 L1275 | I1144-L1159 HydrophobicContact CD1-CD2 4.31Å; I1144-L1159 HydrophobicContact CG2-CD1 4.43Å; I1144-L1159 HydrophobicContact CG2-CD2 4.31Å; M1146-L1159 HydrophobicContact CE-CD1 3.86Å; M1146-L1159 HydrophobicContact CG-CD1 4.2Å; M1146-L1159 HydrophobicContact SD-CD1 4.3Å; L1159-E1161 PolarHBondContact O-N 2.93Å; L1159-M1162 PolarHBondContact O-N 2.83Å; L1159-S1163 PolarHBondContact O-N 2.9Å; L1159-S1163 VanDerWaalsContact O-N 3.15Å; L1159-S1163 PolarHBondContact O-OG 2.92Å; L1159-L1168 HydrophobicContact CD2-CD2 3.88Å; L1159-D1262 WeakPolarHBondContact CB-OD1 3.36Å; L1159-D1262 PolarHBondContact N-OD1 2.97Å; L1159-I1263 HydrophobicContact CB-CG2 4.11Å; L1159-I1263 HydrophobicContact CD2-CG2 4.1Å; L1159-I1263 PolarHBondContact N-O 2.8Å; L1159-L1275 HydrophobicContact CD2-CD2 3.68Å |
| 1160 | Q | 80.5 | Confident | 68.6 | Low | 92 Ų | 92 | 89.1 Ų | 89.1 | 43% | 0.43 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.8 | -22.3 | 174.8 | 75.2 | -172.1 | -63.6 | 0 | 0 | 113.6 | W1158 D1262 | W1158-Q1160 VanDerWaalsContact C-N 3.29Å; W1158-Q1160 HydrophobicContact CB-CG 4.4Å; W1158-Q1160 PolarHBondContact O-N 2.94Å; Q1160-D1262 WeakPolarHBondContact CB-OD2 3.38Å; Q1160-D1262 VanDerWaalsContact CD-OD2 3.29Å; Q1160-D1262 WeakPolarHBondContact CG-OD2 3Å; Q1160-D1262 PolarHBondContact N-OD2 3.27Å; Q1160-D1262 PolarHBondContact NE2-OD2 3.05Å |
| 1161 | E | 73.5 | Confident | 70.5 | Confident | 115 Ų | 115 | 80 Ų | 80 | 54% | 0.537 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -87.6 | -20.3 | 177.1 | -58.8 | 172.5 | 159.7 | 0 | 0 | 112 | F1157 W1158 L1159 | F1157-E1161 WeakPolarHBondContact CA-OE2 3.42Å; F1157-E1161 HydrophobicContact CB-CB 4.4Å; W1158-E1161 HydrophobicContact CB-CG 4.14Å; W1158-E1161 PolarHBondContact N-OE2 3.05Å; W1158-E1161 WeakPolarHBondContact O-CB 3.17Å; W1158-E1161 PolarHBondContact O-N 3.17Å; L1159-E1161 PolarHBondContact O-N 2.93Å |
| 1162 | M | 63.9 | Low | 72.5 | Confident | 32 Ų | 32 | 78 Ų | 78 | 16% | 0.158 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -106.4 | -13.1 | -171.4 | -66.7 | -171.3 | -70.1 | 0 | 0 | 114.8 | M1146 I1149 F1157 W1158 L1159 L1268 | M1146-M1162 HydrophobicContact CE-CE 3.95Å; I1149-M1162 HydrophobicContact CD1-CB 3.73Å; I1149-M1162 HydrophobicContact CD1-CE 4.06Å; I1149-M1162 HydrophobicContact CD1-CG 4.38Å; I1149-M1162 HydrophobicContact CD1-SD 3.83Å; I1149-M1162 HydrophobicContact CG1-CB 3.94Å; I1149-M1162 HydrophobicContact CG2-CB 4.19Å; I1149-M1162 HydrophobicContact CG2-CG 4.14Å; I1149-M1162 HydrophobicContact CG2-SD 3.62Å; F1157-M1162 HydrophobicContact CB-CE 4.37Å; F1157-M1162 HydrophobicContact CB-CG 3.32Å; F1157-M1162 HydrophobicContact CB-SD 3.58Å; F1157-M1162 VanDerWaalsContact CB-SD 3.58Å; F1157-M1162 HydrophobicContact CD2-CG 4.2Å; F1157-M1162 HydrophobicContact CD2-SD 4.45Å; F1157-M1162 HydrophobicContact CG-CG 4.12Å; F1157-M1162 VanDerWaalsContact O-CE 3.32Å; F1157-M1162 WeakPolarHBondContact O-CE 3.43Å; W1158-M1162 WeakPolarHBondContact O-CG 3.39Å; W1158-M1162 PolarHBondContact O-N 2.9Å; L1159-M1162 PolarHBondContact O-N 2.83Å; M1162-L1268 HydrophobicContact CE-CD1 4.48Å; M1162-L1268 HydrophobicContact SD-CD1 4.09Å |
| 1163 | S | 66.5 | Low | 74.4 | Confident | 36 Ų | 36 | 79.3 Ų | 79.3 | 25% | 0.252 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -142.4 | 163.3 | -168 | 73.8 | 0 | 0 | 0 | 0 | 113 | L1159 V1165 | L1159-S1163 PolarHBondContact O-N 2.9Å; L1159-S1163 VanDerWaalsContact O-N 3.15Å; L1159-S1163 PolarHBondContact O-OG 2.92Å; S1163-V1165 PolarHBondContact O-N 2.7Å; S1163-V1165 VanDerWaalsContact O-N 3.13Å; S1163-V1165 PolarHBondContact OG-N 3.28Å |
| 1164 | E | 66.1 | Low | 76.5 | Confident | 165 Ų | 165 | 71.1 Ų | 71.1 | 77% | 0.771 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -70.4 | 3.7 | 171.6 | -62.2 | 162.2 | -133.3 | 0 | 0 | 112.3 | K1148 | K1148-E1164 IonicContact NZ-OE1 3.31Å; K1148-E1164 PolarHBondContact NZ-OE1 2.76Å |
| 1165 | V | 64.8 | Low | 78.4 | Confident | 30 Ų | 30 | 69.9 Ų | 69.9 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | trans | -97.5 | 106.7 | 180 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | I1144 S1163 | I1144-V1165 HydrophobicContact CD1-CG1 3.94Å; I1144-V1165 HydrophobicContact CG1-CG1 4.29Å; I1144-V1165 HydrophobicContact CG2-CG2 4.01Å; S1163-V1165 PolarHBondContact O-N 2.7Å; S1163-V1165 VanDerWaalsContact O-N 3.13Å; S1163-V1165 PolarHBondContact OG-N 3.28Å | ||
| 1166 | N | 69.5 | Low | 80.3 | Confident | 142 Ų | 142 | 68.8 Ų | 68.8 | 76% | 0.759 | 34% | 0.34 | S | S | * | . | trans | -57.1 | 166.2 | 167.5 | -69 | -14.8 | 0 | 0 | 0 | 111.7 | ||||
| 1167 | E | 79.1 | Confident | 81.8 | Confident | 66 Ų | 66 | 61 Ų | 61 | 31% | 0.308 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -38.6 | 137.8 | 179.5 | -165.2 | 175 | -118.1 | 0 | 0 | 114.8 | N1169 R1261 | E1167-N1169 PolarHBondContact O-N 3.22Å; E1167-N1169 VanDerWaalsContact O-N 3.13Å; E1167-R1261 HydrophobicContact CG-CB 3.85Å; E1167-R1261 HydrophobicContact CG-CG 4.35Å; E1167-R1261 WeakPolarHBondContact CG-O 3.47Å; E1167-R1261 IonicContact OE1-CZ 3.83Å; E1167-R1261 VanDerWaalsContact OE1-CZ 3.24Å; E1167-R1261 IonicContact OE1-NE 2.73Å; E1167-R1261 PolarHBondContact OE1-NE 3.18Å; E1167-R1261 IonicContact OE1-NH2 2.94Å; E1167-R1261 PolarHBondContact OE1-NH2 3.2Å; E1167-R1261 IonicContact OE2-CZ 2.75Å; E1167-R1261 IonicContact OE2-NE 2.68Å; E1167-R1261 PolarHBondContact OE2-NE 2.86Å; E1167-R1261 VanDerWaalsContact OE2-NE 3.08Å; E1167-R1261 IonicContact OE2-NH2 3.72Å; E1167-R1261 PolarHBondContact OE2-NH2 3.18Å |
| 1168 | L | 89.4 | Confident | 82.9 | Confident | 12 Ų | 12 | 61.2 Ų | 61.2 | 6% | 0.063 | 32% | 0.317 | C | S | . | . | trans | -62.1 | 114.8 | -167.4 | -61.3 | 180 | 0 | 0 | 0 | 111.7 | I1144 L1159 Y1170 R1261 L1275 L1277 | I1144-L1168 HydrophobicContact CD1-CD2 3.47Å; I1144-L1168 VanDerWaalsContact CD1-CD2 3.47Å; L1159-L1168 HydrophobicContact CD2-CD2 3.88Å; L1168-Y1170 HydrophobicContact CB-CE2 4.23Å; L1168-Y1170 WeakPolarHBondContact O-CD2 3.42Å; L1168-Y1170 WeakPolarHBondContact O-CE2 3.28Å; L1168-R1261 VanDerWaalsContact CB-O 3.25Å; L1168-R1261 WeakPolarHBondContact CB-O 3.39Å; L1168-R1261 VanDerWaalsContact CG-O 3.22Å; L1168-R1261 WeakPolarHBondContact CG-O 3.48Å; L1168-R1261 PolarHBondContact N-O 3.12Å; L1168-L1275 HydrophobicContact CD1-CD2 4.47Å; L1168-L1277 HydrophobicContact CB-CD1 4.35Å; L1168-L1277 HydrophobicContact CD1-CD1 3.88Å; L1168-L1277 HydrophobicContact CD1-CD2 4.02Å; L1168-L1277 HydrophobicContact CD2-CD1 3.78Å; L1168-L1277 HydrophobicContact CG-CD1 4.21Å | ||
| 1169 | N | 88.8 | Confident | 83.4 | Confident | 93 Ų | 93 | 63.8 Ų | 63.8 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | trans | -109.9 | 146.2 | -167.8 | -153.4 | -53.5 | 0 | 0 | 0 | 112.3 | K1140 E1167 | K1140-N1169 HydrophobicContact CD-CB 4.23Å; K1140-N1169 WeakPolarHBondContact CD-OD1 2.97Å; K1140-N1169 PolarHBondContact N-O 3Å; K1140-N1169 PolarHBondContact NZ-OD1 3.39Å; E1167-N1169 PolarHBondContact O-N 3.22Å; E1167-N1169 VanDerWaalsContact O-N 3.13Å | ||
| 1170 | Y | 93.8 | Very high | 84 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 4% | 0.039 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -124.7 | 158.3 | -169.7 | -64.6 | -95.1 | 0 | 0 | 0 | 111.7 | P1139 K1140 L1168 I1172 Q1189 P1259 I1260 V1280 | P1139-Y1170 HydrophobicContact CB-CD1 4Å; P1139-Y1170 HydrophobicContact CB-CE1 3.85Å; K1140-Y1170 WeakPolarHBondContact CE-O 3.18Å; K1140-Y1170 PolarHBondContact NZ-O 2.95Å; L1168-Y1170 HydrophobicContact CB-CE2 4.23Å; L1168-Y1170 WeakPolarHBondContact O-CD2 3.42Å; L1168-Y1170 WeakPolarHBondContact O-CE2 3.28Å; Y1170-I1172 PolarHBondContact O-N 3.31Å; Y1170-Q1189 PolarHBondContact OH-NE2 3.43Å; Y1170-P1259 HydrophobicContact CD1-CB 4.24Å; Y1170-P1259 HydrophobicContact CD2-CB 3.74Å; Y1170-P1259 HydrophobicContact CD2-CG 3.6Å; Y1170-P1259 HydrophobicContact CE1-CB 3.89Å; Y1170-P1259 HydrophobicContact CE2-CB 3.36Å; Y1170-P1259 HydrophobicContact CE2-CG 3.63Å; Y1170-P1259 HydrophobicContact CG-CB 4.19Å; Y1170-P1259 HydrophobicContact CG-CG 4.19Å; Y1170-P1259 VanDerWaalsContact CZ-CB 3.44Å; Y1170-I1260 WeakPolarHBondContact CE2-O 3.42Å; Y1170-I1260 PolarHBondContact OH-O 2.03Å; Y1170-V1280 HydrophobicContact CD1-CG1 4.06Å; Y1170-V1280 HydrophobicContact CE1-CG1 4.34Å |
| 1171 | G | 91.8 | Very high | 84.7 | Confident | 34 Ų | 34 | 60.1 Ų | 60.1 | 35% | 0.351 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -75.3 | 45.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T1124 K1138 | T1124-G1171 WeakPolarHBondContact CG2-O 3.34Å; K1138-G1171 PolarHBondContact O-N 3.01Å |
| 1172 | I | 93.7 | Very high | 85.5 | Confident | 11 Ų | 11 | 58.6 Ų | 58.6 | 6% | 0.056 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -152.5 | 151.8 | -179.8 | -170 | 162.7 | 0 | 0 | 0 | 109.9 | T1124 I1137 Y1170 Q1176 L1177 | T1124-I1172 HydrophobicContact CG2-CB 4.05Å; T1124-I1172 HydrophobicContact CG2-CD1 4.37Å; T1124-I1172 HydrophobicContact CG2-CG1 4.04Å; I1137-I1172 HydrophobicContact CD1-CB 4.33Å; I1137-I1172 HydrophobicContact CD1-CD1 3.63Å; I1137-I1172 HydrophobicContact CD1-CG2 4.05Å; I1137-I1172 HydrophobicContact CG1-CD1 4.31Å; I1137-I1172 HydrophobicContact CG2-CB 4.15Å; I1137-I1172 HydrophobicContact CG2-CG2 3.94Å; Y1170-I1172 PolarHBondContact O-N 3.31Å; I1172-Q1176 HydrophobicContact CD1-CB 4.01Å; I1172-Q1176 HydrophobicContact CG1-CB 3.86Å; I1172-L1177 HydrophobicContact CD1-CB 4.28Å; I1172-L1177 HydrophobicContact CG1-CB 4.33Å; I1172-L1177 HydrophobicContact CG2-CB 3.89Å; I1172-L1177 HydrophobicContact CG2-CD1 4.25Å; I1172-L1177 HydrophobicContact CG2-CD2 4.31Å; I1172-L1177 HydrophobicContact CG2-CG 4.37Å |
| 1173 | E | 92 | Very high | 86.7 | Confident | 113 Ų | 113 | 59.5 Ų | 59.5 | 53% | 0.528 | 32% | 0.316 | S | S | . | . | trans | -78.5 | 148.3 | 172.7 | -63.2 | -51.9 | 139.2 | 0 | 0 | 112.3 | E1175 Q1176 L1177 | E1173-E1175 VanDerWaalsContact C-N 3.29Å; E1173-E1175 PolarHBondContact O-N 3.32Å; E1173-Q1176 PolarHBondContact O-N 2.76Å; E1173-L1177 WeakPolarHBondContact O-CB 3.5Å; E1173-L1177 PolarHBondContact O-N 3.32Å | ||
| 1174 | P | 91.5 | Very high | 88 | Confident | 70 Ų | 70 | 58.7 Ų | 58.7 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -55.8 | -38.2 | -175 | -26.1 | 35.5 | 0 | 0 | 0 | 114.3 | L1177 N1178 | P1174-L1177 PolarHBondContact O-N 3.03Å; P1174-N1178 WeakPolarHBondContact O-CB 3.49Å; P1174-N1178 PolarHBondContact O-N 2.91Å; P1174-N1178 PolarHBondContact O-ND2 3.47Å |
| 1175 | E | 90.3 | Very high | 89.2 | Confident | 114 Ų | 114 | 55.3 Ų | 55.3 | 53% | 0.533 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.8 | -47.9 | 179.6 | -65.6 | 66.4 | -147.7 | 0 | 0 | 110.8 | I1116 E1173 L1177 N1178 F1179 | I1116-E1175 HydrophobicContact CD1-CB 4.07Å; E1173-E1175 VanDerWaalsContact C-N 3.29Å; E1173-E1175 PolarHBondContact O-N 3.32Å; E1175-L1177 VanDerWaalsContact C-N 3.32Å; E1175-L1177 PolarHBondContact O-N 3.26Å; E1175-N1178 PolarHBondContact O-N 3.15Å; E1175-F1179 WeakPolarHBondContact O-CD2 3.26Å; E1175-F1179 PolarHBondContact O-N 3.28Å |
| 1176 | Q | 92.6 | Very high | 90.5 | Very high | 5 Ų | 5 | 55.6 Ų | 55.6 | 2% | 0.023 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 177 | -75.9 | -170.6 | -13.6 | 0 | 0 | 111.8 | N1114 P1115 I1116 S1122 T1124 I1172 E1173 F1179 L1180 | N1114-Q1176 PolarHBondContact OD1-NE2 3.33Å; N1114-Q1176 VanDerWaalsContact OD1-NE2 3.14Å; P1115-Q1176 WeakPolarHBondContact CB-O 3.27Å; P1115-Q1176 HydrophobicContact CG-CB 4.2Å; I1116-Q1176 HydrophobicContact CD1-CG 3.66Å; I1116-Q1176 HydrophobicContact CG1-CG 4.09Å; S1122-Q1176 PolarHBondContact O-NE2 3.42Å; T1124-Q1176 PolarHBondContact OG1-OE1 3.25Å; I1172-Q1176 HydrophobicContact CD1-CB 4.01Å; I1172-Q1176 HydrophobicContact CG1-CB 3.86Å; E1173-Q1176 PolarHBondContact O-N 2.76Å; Q1176-F1179 PolarHBondContact O-N 3.06Å; Q1176-L1180 WeakPolarHBondContact O-CB 3.48Å; Q1176-L1180 PolarHBondContact O-N 2.89Å |
| 1177 | L | 94.7 | Very high | 91.7 | Very high | 15 Ų | 15 | 48.9 Ų | 48.9 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 173.2 | 176.3 | 59.4 | 0 | 0 | 0 | 111.5 | I1137 I1172 E1173 P1174 E1175 L1180 K1181 P1259 Y1282 | I1137-L1177 HydrophobicContact CD1-CD1 4.3Å; I1172-L1177 HydrophobicContact CD1-CB 4.28Å; I1172-L1177 HydrophobicContact CG1-CB 4.33Å; I1172-L1177 HydrophobicContact CG2-CB 3.89Å; I1172-L1177 HydrophobicContact CG2-CD1 4.25Å; I1172-L1177 HydrophobicContact CG2-CD2 4.31Å; I1172-L1177 HydrophobicContact CG2-CG 4.37Å; E1173-L1177 WeakPolarHBondContact O-CB 3.5Å; E1173-L1177 PolarHBondContact O-N 3.32Å; P1174-L1177 PolarHBondContact O-N 3.03Å; E1175-L1177 VanDerWaalsContact C-N 3.32Å; E1175-L1177 PolarHBondContact O-N 3.26Å; L1177-L1180 PolarHBondContact O-N 2.94Å; L1177-K1181 HydrophobicContact CD1-CG 4.47Å; L1177-K1181 HydrophobicContact CG-CD 4.48Å; L1177-K1181 WeakPolarHBondContact O-CG 3.26Å; L1177-K1181 PolarHBondContact O-N 2.78Å; L1177-P1259 HydrophobicContact CD2-CG 4.35Å; L1177-Y1282 HydrophobicContact CD1-CE2 4.01Å; L1177-Y1282 WeakPolarHBondContact CD1-OH 3.35Å |
| 1178 | N | 94.1 | Very high | 92.5 | Very high | 83 Ų | 83 | 46.5 Ų | 46.5 | 44% | 0.444 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.8 | -37.7 | 178.3 | -71.9 | -21.3 | 0 | 0 | 0 | 112.6 | P1174 E1175 K1181 L1182 | P1174-N1178 WeakPolarHBondContact O-CB 3.49Å; P1174-N1178 PolarHBondContact O-N 2.91Å; P1174-N1178 PolarHBondContact O-ND2 3.47Å; E1175-N1178 PolarHBondContact O-N 3.15Å; N1178-K1181 PolarHBondContact OD1-NZ 2.87Å; N1178-L1182 WeakPolarHBondContact O-CB 3.27Å; N1178-L1182 PolarHBondContact O-N 3.24Å |
| 1179 | F | 93.5 | Very high | 92.7 | Very high | 99 Ų | 99 | 46 Ų | 46 | 43% | 0.434 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.8 | -37.8 | 169.1 | -88.3 | -106.2 | 0 | 0 | 0 | 112.3 | P1115 I1116 E1175 Q1176 L1182 S1183 | P1115-F1179 HydrophobicContact CB-CB 3.78Å; I1116-F1179 HydrophobicContact CB-CD1 4.43Å; I1116-F1179 HydrophobicContact CB-CG 4.47Å; I1116-F1179 HydrophobicContact CG1-CB 4.18Å; I1116-F1179 HydrophobicContact CG1-CD1 4.2Å; I1116-F1179 HydrophobicContact CG1-CD2 3.69Å; I1116-F1179 HydrophobicContact CG1-CE2 4.05Å; I1116-F1179 HydrophobicContact CG1-CG 3.76Å; I1116-F1179 HydrophobicContact CG1-CZ 4.45Å; I1116-F1179 HydrophobicContact CG2-CE1 4.38Å; I1116-F1179 HydrophobicContact CG2-CZ 4.32Å; E1175-F1179 WeakPolarHBondContact O-CD2 3.26Å; E1175-F1179 PolarHBondContact O-N 3.28Å; Q1176-F1179 PolarHBondContact O-N 3.06Å; F1179-L1182 PolarHBondContact O-N 2.78Å; F1179-S1183 WeakPolarHBondContact O-CB 3.18Å; F1179-S1183 PolarHBondContact O-N 2.79Å; F1179-S1183 PolarHBondContact O-OG 2.79Å |
| 1180 | L | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.8 | -48.2 | 177.4 | -175.9 | 64.2 | 0 | 0 | 0 | 111.9 | T1095 P1115 T1135 I1137 Q1176 L1177 L1182 S1183 S1184 Y1282 | T1095-L1180 HydrophobicContact CG2-CD1 3.66Å; P1115-L1180 HydrophobicContact CB-CB 4.36Å; P1115-L1180 HydrophobicContact CG-CB 4.2Å; T1135-L1180 HydrophobicContact CG2-CD1 3.89Å; T1135-L1180 HydrophobicContact CG2-CD2 3.75Å; I1137-L1180 HydrophobicContact CD1-CD2 3.45Å; I1137-L1180 VanDerWaalsContact CD1-CD2 3.45Å; I1137-L1180 HydrophobicContact CG1-CD2 4.43Å; Q1176-L1180 WeakPolarHBondContact O-CB 3.48Å; Q1176-L1180 PolarHBondContact O-N 2.89Å; L1177-L1180 PolarHBondContact O-N 2.94Å; L1180-L1182 VanDerWaalsContact C-N 3.29Å; L1180-L1182 PolarHBondContact O-N 2.91Å; L1180-S1183 WeakPolarHBondContact CA-OG 3.44Å; L1180-S1183 PolarHBondContact O-N 3.49Å; L1180-S1183 VanDerWaalsContact O-N 3.1Å; L1180-S1183 PolarHBondContact O-OG 3.41Å; L1180-S1184 PolarHBondContact O-N 2.79Å; L1180-S1184 PolarHBondContact O-OG 3.21Å; L1180-Y1282 HydrophobicContact CD2-CD2 3.45Å; L1180-Y1282 VanDerWaalsContact CD2-CD2 3.45Å; L1180-Y1282 HydrophobicContact CD2-CE2 4.05Å; L1180-Y1282 HydrophobicContact CD2-CG 3.88Å; L1180-Y1282 HydrophobicContact CG-CD2 4.03Å; L1180-Y1282 HydrophobicContact CG-CG 3.94Å |
| 1181 | K | 94.7 | Very high | 93 | Very high | 18 Ų | 18 | 46 Ų | 46 | 8% | 0.078 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -51.6 | -49.1 | 172.2 | -71.2 | 168.5 | -172 | 155.8 | 0 | 111 | L1177 N1178 S1183 S1184 D1218 P1255 L1258 Y1282 | L1177-K1181 HydrophobicContact CD1-CG 4.47Å; L1177-K1181 HydrophobicContact CG-CD 4.48Å; L1177-K1181 WeakPolarHBondContact O-CG 3.26Å; L1177-K1181 PolarHBondContact O-N 2.78Å; N1178-K1181 PolarHBondContact OD1-NZ 2.87Å; K1181-S1183 VanDerWaalsContact C-N 3.27Å; K1181-S1183 PolarHBondContact O-N 2.97Å; K1181-S1184 PolarHBondContact O-N 3.3Å; K1181-D1218 WeakPolarHBondContact CE-OD1 3.41Å; K1181-D1218 WeakPolarHBondContact CE-OD2 3.44Å; K1181-D1218 IonicContact NZ-OD1 3.67Å; K1181-D1218 PolarHBondContact NZ-OD1 2.68Å; K1181-D1218 IonicContact NZ-OD2 3.08Å; K1181-D1218 PolarHBondContact NZ-OD2 2.75Å; K1181-P1255 HydrophobicContact CB-CB 4Å; K1181-P1255 HydrophobicContact CG-CB 4.27Å; K1181-L1258 WeakPolarHBondContact CE-O 3.37Å; K1181-Y1282 HydrophobicContact CG-CE1 3.76Å |
| 1182 | L | 91.4 | Very high | 93 | Very high | 82 Ų | 82 | 45.2 Ų | 45.2 | 43% | 0.429 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.9 | -25.8 | -178.8 | -172.9 | 65.9 | 0 | 0 | 0 | 113.4 | M1055 N1178 F1179 L1180 | M1055-L1182 HydrophobicContact CE-CD1 3.76Å; M1055-L1182 HydrophobicContact CE-CD2 3.71Å; M1055-L1182 HydrophobicContact CE-CG 3.49Å; M1055-L1182 VanDerWaalsContact CE-CG 3.49Å; M1055-L1182 HydrophobicContact CG-CD1 4.34Å; N1178-L1182 WeakPolarHBondContact O-CB 3.27Å; N1178-L1182 PolarHBondContact O-N 3.24Å; F1179-L1182 PolarHBondContact O-N 2.78Å; L1180-L1182 VanDerWaalsContact C-N 3.29Å; L1180-L1182 PolarHBondContact O-N 2.91Å |
| 1183 | S | 89.3 | Confident | 92.8 | Very high | 52 Ų | 52 | 44.7 Ų | 44.7 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 6.6 | 177.9 | 72.6 | 0 | 0 | 0 | 0 | 114.7 | F1179 L1180 K1181 T1284 | F1179-S1183 WeakPolarHBondContact O-CB 3.18Å; F1179-S1183 PolarHBondContact O-N 2.79Å; F1179-S1183 PolarHBondContact O-OG 2.79Å; L1180-S1183 WeakPolarHBondContact CA-OG 3.44Å; L1180-S1183 PolarHBondContact O-N 3.49Å; L1180-S1183 VanDerWaalsContact O-N 3.1Å; L1180-S1183 PolarHBondContact O-OG 3.41Å; K1181-S1183 VanDerWaalsContact C-N 3.27Å; K1181-S1183 PolarHBondContact O-N 2.97Å; S1183-T1284 WeakPolarHBondContact O-CG2 3.36Å |
| 1184 | S | 93.9 | Very high | 92.5 | Very high | 18 Ų | 18 | 39.9 Ų | 39.9 | 13% | 0.126 | 21% | 0.207 | C | C | . | . | trans | -128.3 | 148.3 | -171.7 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | L1180 K1181 | L1180-S1184 PolarHBondContact O-N 2.79Å; L1180-S1184 PolarHBondContact O-OG 3.21Å; K1181-S1184 PolarHBondContact O-N 3.3Å | ||
| 1185 | D | 91.1 | Very high | 92 | Very high | 94 Ų | 94 | 36.6 Ų | 36.6 | 50% | 0.503 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -90 | -29 | 176.8 | -64.6 | -76.2 | 0 | 0 | 0 | 112.1 | T1283 T1284 L1286 | D1185-T1283 PolarHBondContact N-O 3.22Å; D1185-T1284 VanDerWaalsContact OD2-CA 3.26Å; D1185-T1284 WeakPolarHBondContact OD2-CA 3.44Å; D1185-L1286 HydrophobicContact CB-CD2 4.42Å; D1185-L1286 HydrophobicContact CB-CG 4.45Å |
| 1186 | M | 92 | Very high | 91.2 | Very high | 37 Ų | 37 | 33.2 Ų | 33.2 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 145.8 | -177.9 | -165.1 | 167.3 | 63.4 | 0 | 0 | 111.8 | V1188 G1253 T1283 F1289 | M1186-V1188 HydrophobicContact CE-CG2 4.47Å; M1186-G1253 WeakPolarHBondContact CA-O 3.33Å; M1186-G1253 WeakPolarHBondContact CG-O 3.43Å; M1186-T1283 PolarHBondContact N-O 3.33Å; M1186-T1283 VanDerWaalsContact N-O 3.11Å; M1186-T1283 PolarHBondContact O-N 2.98Å; M1186-F1289 HydrophobicContact CE-CD2 3.38Å; M1186-F1289 HydrophobicContact CE-CE2 3.26Å; M1186-F1289 HydrophobicContact CE-CG 4.45Å; M1186-F1289 HydrophobicContact CE-CZ 4.27Å |
| 1187 | A | 94.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 152.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | H1252 G1253 P1255 L1258 C1281 Y1282 | A1187-H1252 WeakPolarHBondContact O-CA 3.25Å; A1187-G1253 PolarHBondContact N-O 3.4Å; A1187-G1253 PolarHBondContact O-N 2.87Å; A1187-P1255 HydrophobicContact CB-CB 4.24Å; A1187-P1255 HydrophobicContact CB-CG 4.36Å; A1187-L1258 HydrophobicContact CB-CB 4.08Å; A1187-L1258 HydrophobicContact CB-CD1 3.73Å; A1187-L1258 HydrophobicContact CB-CG 4.47Å; A1187-C1281 CarbonylContact C-O 3.57Å; A1187-C1281 VanDerWaalsContact CA-O 3.3Å; A1187-C1281 WeakPolarHBondContact CA-O 3.22Å; A1187-Y1282 HydrophobicContact CB-CD1 3.59Å; A1187-Y1282 HydrophobicContact CB-CE1 3.57Å; A1187-Y1282 HydrophobicContact CB-CG 4.36Å |
| 1188 | V | 94.4 | Very high | 87.6 | Confident | 16 Ų | 16 | 35.6 Ų | 35.6 | 10% | 0.097 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 136.2 | 178.8 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | M1186 L1250 I1251 H1252 C1281 F1289 | M1186-V1188 HydrophobicContact CE-CG2 4.47Å; V1188-L1250 HydrophobicContact CG1-CD1 3.69Å; V1188-I1251 CarbonylContact C-O 3.56Å; V1188-I1251 VanDerWaalsContact CA-O 3.29Å; V1188-I1251 WeakPolarHBondContact CA-O 3.39Å; V1188-H1252 HydrophobicContact CG1-CB 4.48Å; V1188-H1252 HydrophobicContact CG2-CB 3.84Å; V1188-C1281 PolarHBondContact N-O 3.36Å; V1188-C1281 PolarHBondContact O-N 3.44Å; V1188-F1289 HydrophobicContact CB-CE1 4.11Å; V1188-F1289 HydrophobicContact CB-CZ 4.28Å; V1188-F1289 HydrophobicContact CG1-CE1 4.33Å; V1188-F1289 HydrophobicContact CG2-CD1 4.28Å; V1188-F1289 HydrophobicContact CG2-CE1 3.6Å; V1188-F1289 HydrophobicContact CG2-CE2 4.11Å; V1188-F1289 HydrophobicContact CG2-CZ 3.51Å |
| 1189 | Q | 95.6 | Very high | 85.2 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 145.6 | 171 | -167.3 | 173.9 | 11.4 | 0 | 0 | 110.6 | Y1170 I1191 I1251 L1258 G1278 V1280 | Y1170-Q1189 PolarHBondContact OH-NE2 3.43Å; Q1189-I1191 HydrophobicContact CG-CG1 4.42Å; Q1189-I1251 PolarHBondContact N-O 2.94Å; Q1189-I1251 WeakPolarHBondContact O-CD1 3.23Å; Q1189-I1251 PolarHBondContact O-N 3.48Å; Q1189-L1258 HydrophobicContact CB-CD1 4.11Å; Q1189-L1258 HydrophobicContact CB-CD2 3.8Å; Q1189-G1278 PolarHBondContact NE2-O 2.9Å; Q1189-V1280 HydrophobicContact CB-CB 4.4Å; Q1189-V1280 HydrophobicContact CB-CG2 4.38Å; Q1189-V1280 HydrophobicContact CG-CB 4.25Å |
| 1190 | R | 94.6 | Very high | 82.9 | Confident | 101 Ų | 101 | 37.9 Ų | 37.9 | 38% | 0.381 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132 | 176.5 | -165.6 | -175.6 | -164.7 | -142 | 4.4 | 109.3 | E1235 T1248 V1249 G1278 | R1190-E1235 IonicContact CZ-OE2 2.79Å; R1190-E1235 IonicContact NE-OE2 2.63Å; R1190-E1235 PolarHBondContact NE-OE2 3.42Å; R1190-E1235 IonicContact NH2-OE1 2.61Å; R1190-E1235 IonicContact NH2-OE2 3.82Å; R1190-E1235 PolarHBondContact NH2-OE2 3.07Å; R1190-T1248 HydrophobicContact CG-CG2 3.77Å; R1190-V1249 WeakPolarHBondContact CA-O 3.45Å; R1190-G1278 VanDerWaalsContact O-CA 3.25Å; R1190-G1278 WeakPolarHBondContact O-CA 3.45Å; R1190-G1278 PolarHBondContact O-N 3.06Å |
| 1191 | I | 93.4 | Very high | 80.5 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 132.9 | 179.4 | -63.4 | 179.3 | 0 | 0 | 0 | 108.3 | Q1189 T1248 V1249 I1251 I1260 L1275 L1277 | Q1189-I1191 HydrophobicContact CG-CG1 4.42Å; I1191-T1248 CarbonylContact O-C 3.55Å; I1191-T1248 WeakPolarHBondContact O-CA 3.38Å; I1191-V1249 PolarHBondContact N-O 3.16Å; I1191-V1249 PolarHBondContact O-N 3.36Å; I1191-I1251 HydrophobicContact CD1-CD1 4.13Å; I1191-I1251 HydrophobicContact CG1-CD1 4.27Å; I1191-I1260 HydrophobicContact CD1-CB 3.77Å; I1191-I1260 HydrophobicContact CD1-CG1 3.69Å; I1191-I1260 HydrophobicContact CD1-CG2 3.97Å; I1191-L1275 HydrophobicContact CG2-CD1 3.5Å; I1191-L1277 HydrophobicContact CD1-CD2 3.93Å; I1191-L1277 HydrophobicContact CG1-CD2 3.96Å; I1191-L1277 HydrophobicContact CG2-CD2 4.1Å |
| 1192 | S | 92.1 | Very high | 77.9 | Confident | 17 Ų | 17 | 45.3 Ų | 45.3 | 12% | 0.119 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 133.2 | 179.3 | -66.1 | 0 | 0 | 0 | 0 | 111.3 | T1247 T1248 I1276 | S1192-T1247 WeakPolarHBondContact CA-O 3.19Å; S1192-T1248 WeakPolarHBondContact OG-CG2 3.25Å; S1192-T1248 PolarHBondContact OG-OG1 3.13Å; S1192-I1276 PolarHBondContact N-O 3.14Å; S1192-I1276 WeakPolarHBondContact O-CB 3.3Å; S1192-I1276 PolarHBondContact O-N 3.39Å |
| 1193 | L | 88.3 | Confident | 75.9 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 115.2 | 168.1 | -66.4 | 168.4 | 0 | 0 | 0 | 108.4 | L1209 I1213 Y1246 T1247 I1263 L1265 L1275 | L1193-L1209 HydrophobicContact CB-CD2 4.44Å; L1193-L1209 HydrophobicContact CD1-CD2 4.09Å; L1193-I1213 HydrophobicContact CD1-CD1 3.63Å; L1193-I1213 HydrophobicContact CD1-CG1 4.08Å; L1193-Y1246 CarbonylContact O-C 3.58Å; L1193-Y1246 WeakPolarHBondContact O-CA 3.43Å; L1193-T1247 PolarHBondContact N-O 3.08Å; L1193-T1247 PolarHBondContact O-N 3.13Å; L1193-I1263 HydrophobicContact CD1-CD1 4.33Å; L1193-I1263 HydrophobicContact CD2-CD1 4.15Å; L1193-L1265 HydrophobicContact CD1-CD1 4.3Å; L1193-L1265 HydrophobicContact CD1-CD2 3.65Å; L1193-L1265 HydrophobicContact CD2-CD1 4.07Å; L1193-L1275 HydrophobicContact CD2-CB 4.31Å; L1193-L1275 HydrophobicContact CD2-CD1 3.83Å |
| 1194 | S | 87.4 | Confident | 73.8 | Confident | 12 Ų | 12 | 50 Ų | 50 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 133.5 | 164.7 | -170.1 | 0 | 0 | 0 | 0 | 108.9 | Y1273 E1274 | S1194-Y1273 VanDerWaalsContact O-CA 3.27Å; S1194-Y1273 WeakPolarHBondContact O-CA 3.27Å; S1194-E1274 PolarHBondContact N-O 3.01Å; S1194-E1274 PolarHBondContact O-N 3.31Å |
| 1195 | C | 80 | Confident | 71.7 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 98.7 | -178.1 | 49.9 | 0 | 0 | 0 | 0 | 110.8 | L1198 C1239 N1244 G1245 Y1273 | C1195-L1198 HydrophobicContact CB-CD1 4.41Å; C1195-C1239 HydrophobicContact CB-CB 3.96Å; C1195-C1239 WeakPolarHBondContact CB-SG 3.28Å; C1195-C1239 WeakPolarHBondContact SG-CA 3.43Å; C1195-C1239 WeakPolarHBondContact SG-CB 3.21Å; C1195-C1239 CovalentContact SG-SG 2.03Å; C1195-C1239 PolarHBondContact SG-SG 3.14Å; C1195-N1244 VanDerWaalsContact O-CA 3.32Å; C1195-N1244 WeakPolarHBondContact O-CA 3.22Å; C1195-N1244 PolarHBondContact O-N 3.22Å; C1195-G1245 PolarHBondContact N-O 3.15Å; C1195-G1245 PolarHBondContact SG-O 3.44Å; C1195-Y1273 HydrophobicContact CB-CD1 3.9Å; C1195-Y1273 HydrophobicContact CB-CE1 3.78Å |
| 1196 | S | 72.7 | Confident | 69.8 | Low | 43 Ų | 43 | 53.9 Ų | 53.9 | 30% | 0.301 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 143.1 | -171.5 | 69.6 | 0 | 0 | 0 | 0 | 112.5 | N1244 I1271 N1272 | S1196-N1244 WeakPolarHBondContact CA-OD1 3.43Å; S1196-I1271 VanDerWaalsContact O-CG2 3.29Å; S1196-I1271 WeakPolarHBondContact O-CG2 3.19Å; S1196-N1272 PolarHBondContact N-O 2.79Å; S1196-N1272 PolarHBondContact O-N 3.23Å; S1196-N1272 PolarHBondContact OG-O 3.21Å |
| 1197 | G | 59.1 | Low | 68.1 | Low | 51 Ų | 51 | 56.2 Ų | 56.2 | 53% | 0.526 | 34% | 0.337 | S | S | . | . | trans | 88.7 | 19.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S1199 N1244 | G1197-S1199 PolarHBondContact O-N 3.34Å; G1197-N1244 PolarHBondContact N-OD1 3.2Å | ||
| 1198 | L | 54 | Low | 66.7 | Low | 19 Ų | 19 | 56.7 Ų | 56.7 | 10% | 0.099 | 34% | 0.34 | C | S | . | . | trans | -72.7 | 26.5 | 174.9 | -100.4 | 170.9 | 0 | 0 | 0 | 114.4 | C1195 D1200 I1201 T1243 I1271 | C1195-L1198 HydrophobicContact CB-CD1 4.41Å; L1198-D1200 PolarHBondContact O-N 3Å; L1198-I1201 HydrophobicContact CD2-CB 4.26Å; L1198-T1243 HydrophobicContact CB-CG2 4.31Å; L1198-T1243 WeakPolarHBondContact O-CG2 3.47Å; L1198-I1271 HydrophobicContact CD2-CD1 3.62Å; L1198-I1271 HydrophobicContact CD2-CG1 4.47Å; L1198-I1271 HydrophobicContact CG-CD1 3.91Å; L1198-I1271 HydrophobicContact CG-CG2 4.4Å | ||
| 1199 | S | 43.4 | Very low | 65.6 | Low | 85 Ų | 85 | 56.9 Ų | 56.9 | 59% | 0.594 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -69.1 | -32.6 | -166.3 | 51.7 | 0 | 0 | 0 | 0 | 115.2 | G1197 | G1197-S1199 PolarHBondContact O-N 3.34Š|
| 1200 | D | 43.9 | Very low | 64.3 | Low | 144 Ų | 144 | 56.9 Ų | 56.9 | 77% | 0.77 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -123.5 | 2.1 | -167.2 | -65.7 | -86.7 | 0 | 0 | 0 | 114.2 | L1198 | L1198-D1200 PolarHBondContact O-N 3Š|
| 1201 | I | 45 | Very low | 63.3 | Low | 71 Ų | 71 | 56.3 Ų | 56.3 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -89 | 118.2 | 167.5 | -63.2 | 179.5 | 0 | 0 | 0 | 107.9 | L1198 V1203 N1269 I1271 | L1198-I1201 HydrophobicContact CD2-CB 4.26Å; I1201-V1203 PolarHBondContact O-N 2.81Å; I1201-N1269 HydrophobicContact CD1-CB 4.48Å; I1201-I1271 HydrophobicContact CD1-CD1 4.33Å |
| 1202 | T | 40.6 | Very low | 62.4 | Low | 103 Ų | 103 | 57.7 Ų | 57.7 | 63% | 0.632 | 35% | 0.35 | S | S | * | . | trans | -51.3 | 132.9 | -177.8 | -32.8 | 0 | 0 | 0 | 0 | 111.5 | N1204 | T1202-N1204 HydrophobicContact CG2-CB 4.37Å; T1202-N1204 PolarHBondContact O-N 3.29Å | ||
| 1203 | V | 48.8 | Very low | 62.1 | Low | 101 Ų | 101 | 57 Ų | 57 | 61% | 0.612 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 27.9 | -177.4 | -154.7 | 0 | 0 | 0 | 0 | 113.5 | I1201 G1240 K1241 | I1201-V1203 PolarHBondContact O-N 2.81Å; V1203-G1240 WeakPolarHBondContact CG1-O 3.32Å; V1203-K1241 WeakPolarHBondContact CG1-O 3.48Å |
| 1204 | N | 44.4 | Very low | 62.2 | Low | 133 Ų | 133 | 58.3 Ų | 58.3 | 71% | 0.711 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 0.3 | -179.4 | -75.8 | -9 | 0 | 0 | 0 | 112.8 | T1202 T1206 | T1202-N1204 HydrophobicContact CG2-CB 4.37Å; T1202-N1204 PolarHBondContact O-N 3.29Å; N1204-T1206 PolarHBondContact O-N 2.87Å |
| 1205 | S | 50.1 | Low | 62.5 | Low | 52 Ų | 52 | 57.7 Ų | 57.7 | 36% | 0.364 | 35% | 0.347 | S | S | . | . | trans | -71.8 | 93.5 | 168.9 | 59.5 | 0 | 0 | 0 | 0 | 109.7 | T1207 | S1205-T1207 PolarHBondContact O-N 2.82Å; S1205-T1207 VanDerWaalsContact O-N 3.15Å | ||
| 1206 | T | 51.2 | Low | 63.1 | Low | 141 Ų | 141 | 58.8 Ų | 58.8 | 87% | 0.865 | 35% | 0.353 | S | S | * | . | trans | -65.4 | -11.6 | 180 | 48.7 | 0 | 0 | 0 | 0 | 114.2 | N1204 S1208 | N1204-T1206 PolarHBondContact O-N 2.87Å; T1206-S1208 PolarHBondContact O-N 3.47Å | ||
| 1207 | T | 55.8 | Low | 64.1 | Low | 86 Ų | 86 | 56.7 Ų | 56.7 | 53% | 0.528 | 34% | 0.338 | S | S | . | . | trans | -66.5 | 105.7 | 175.2 | 49 | 0 | 0 | 0 | 0 | 111.5 | S1205 | S1205-T1207 PolarHBondContact O-N 2.82Å; S1205-T1207 VanDerWaalsContact O-N 3.15Å | ||
| 1208 | S | 66.2 | Low | 65.8 | Low | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.063 | 32% | 0.323 | C | S | . | . | trans | -61.9 | 133.4 | 172.1 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | T1206 A1210 E1211 D1237 | T1206-S1208 PolarHBondContact O-N 3.47Å; S1208-A1210 PolarHBondContact O-N 3.25Å; S1208-A1210 VanDerWaalsContact O-N 3.17Å; S1208-A1210 WeakPolarHBondContact OG-CB 3.31Å; S1208-A1210 PolarHBondContact OG-N 3.32Å; S1208-E1211 WeakPolarHBondContact O-CB 3.36Å; S1208-E1211 PolarHBondContact O-N 2.83Å; S1208-D1237 WeakPolarHBondContact CB-OD2 3.45Å; S1208-D1237 PolarHBondContact OG-OD1 3.4Å; S1208-D1237 PolarHBondContact OG-OD2 3.18Å | ||
| 1209 | L | 70.4 | Confident | 67.6 | Low | 21 Ų | 21 | 57.9 Ų | 57.9 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -56.9 | -34.3 | 176.9 | -179 | 63.9 | 0 | 0 | 0 | 111.2 | L1193 E1211 N1212 C1239 Y1273 | L1193-L1209 HydrophobicContact CB-CD2 4.44Å; L1193-L1209 HydrophobicContact CD1-CD2 4.09Å; L1209-E1211 PolarHBondContact O-N 3.49Å; L1209-N1212 PolarHBondContact O-N 3.38Å; L1209-C1239 HydrophobicContact CB-CB 3.82Å; L1209-C1239 HydrophobicContact CD2-CB 3.59Å; L1209-C1239 HydrophobicContact CG-CB 4.35Å; L1209-Y1273 HydrophobicContact CD1-CE1 4.27Å; L1209-Y1273 HydrophobicContact CD2-CD1 4.39Å; L1209-Y1273 HydrophobicContact CD2-CE1 3.81Å |
| 1210 | A | 68.8 | Low | 70 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -58.6 | -16.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1208 N1212 I1234 T1247 | S1208-A1210 PolarHBondContact O-N 3.25Å; S1208-A1210 VanDerWaalsContact O-N 3.17Å; S1208-A1210 WeakPolarHBondContact OG-CB 3.31Å; S1208-A1210 PolarHBondContact OG-N 3.32Å; A1210-N1212 VanDerWaalsContact C-N 3.3Å; A1210-I1234 HydrophobicContact CB-CD1 3.47Å; A1210-I1234 VanDerWaalsContact CB-CD1 3.47Å; A1210-I1234 HydrophobicContact CB-CG1 3.66Å; A1210-I1234 HydrophobicContact CB-CG2 4.29Å; A1210-T1247 HydrophobicContact CB-CG2 4.1Å |
| 1211 | E | 72.8 | Confident | 72.3 | Confident | 90 Ų | 90 | 52.6 Ų | 52.6 | 42% | 0.421 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -80.9 | -13.5 | 177 | -68.8 | 169 | -167.7 | 0 | 0 | 112.7 | S1208 L1209 R1225 Y1226 | S1208-E1211 WeakPolarHBondContact O-CB 3.36Å; S1208-E1211 PolarHBondContact O-N 2.83Å; L1209-E1211 PolarHBondContact O-N 3.49Å; E1211-R1225 IonicContact OE1-CZ 3.29Å; E1211-R1225 IonicContact OE1-NH1 2.71Å; E1211-R1225 PolarHBondContact OE1-NH1 2.93Å; E1211-Y1226 HydrophobicContact CG-CE2 4.28Å; E1211-Y1226 PolarHBondContact OE1-OH 3.37Å |
| 1212 | N | 76.2 | Confident | 74.6 | Confident | 32 Ų | 32 | 52 Ų | 52 | 17% | 0.171 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -112.7 | 10.3 | -177.9 | -69.7 | -76.7 | 0 | 0 | 0 | 113.7 | L1209 A1210 I1266 H1267 | L1209-N1212 PolarHBondContact O-N 3.38Å; A1210-N1212 VanDerWaalsContact C-N 3.3Å; N1212-I1266 HydrophobicContact CB-CB 3.99Å; N1212-I1266 WeakPolarHBondContact CB-O 3.18Å; N1212-I1266 PolarHBondContact O-N 3.29Å; N1212-H1267 PolarHBondContact OD1-ND1 3.03Å; N1212-H1267 VanDerWaalsContact OD1-ND1 3.07Å |
| 1213 | I | 85.7 | Confident | 77.1 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 126.5 | 177.1 | -55.7 | 174.2 | 0 | 0 | 0 | 109.6 | L1193 L1215 F1232 T1247 V1249 I1263 L1265 | L1193-I1213 HydrophobicContact CD1-CD1 3.63Å; L1193-I1213 HydrophobicContact CD1-CG1 4.08Å; I1213-L1215 HydrophobicContact CG2-CD2 3.83Å; I1213-L1215 HydrophobicContact CG2-CG 4.12Å; I1213-F1232 HydrophobicContact CB-CZ 4.09Å; I1213-F1232 HydrophobicContact CG2-CE1 4.42Å; I1213-F1232 HydrophobicContact CG2-CZ 4.32Å; I1213-F1232 WeakPolarHBondContact O-CE1 3.47Å; I1213-F1232 VanDerWaalsContact O-CZ 3.31Å; I1213-F1232 WeakPolarHBondContact O-CZ 3.22Å; I1213-T1247 HydrophobicContact CD1-CG2 4.18Å; I1213-V1249 HydrophobicContact CD1-CG2 3.89Å; I1213-I1263 HydrophobicContact CG2-CD1 4.07Å; I1213-I1263 HydrophobicContact CG2-CG1 4.26Å; I1213-L1265 HydrophobicContact CG1-CD2 4.01Å; I1213-L1265 HydrophobicContact CG2-CD2 4.48Å |
| 1214 | L | 90.2 | Very high | 79 | Confident | 27 Ų | 27 | 46.5 Ų | 46.5 | 14% | 0.141 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 145 | 159.4 | -46.2 | 172.8 | 0 | 0 | 0 | 108.6 | W1158 I1222 E1224 I1263 N1264 I1266 | W1158-L1214 HydrophobicContact CH2-CB 4.26Å; L1214-I1222 HydrophobicContact CB-CG2 4.14Å; L1214-E1224 HydrophobicContact CD2-CB 4.35Å; L1214-E1224 HydrophobicContact CD2-CG 3.91Å; L1214-I1263 WeakPolarHBondContact O-CA 3.35Å; L1214-N1264 HydrophobicContact CB-CB 3.92Å; L1214-N1264 HydrophobicContact CD1-CB 4.21Å; L1214-N1264 HydrophobicContact CG-CB 4.34Å; L1214-N1264 PolarHBondContact N-O 3.29Å; L1214-N1264 PolarHBondContact O-N 3.02Å; L1214-I1266 HydrophobicContact CD1-CD1 4.04Å; L1214-I1266 HydrophobicContact CD2-CD1 4.47Å; L1214-I1266 HydrophobicContact CG-CD1 4.07Å |
| 1215 | L | 92.9 | Very high | 81 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 140.3 | 174.4 | -54 | 173.3 | 0 | 0 | 0 | 109.6 | I1213 I1222 L1223 F1232 V1249 I1251 I1260 I1263 | I1213-L1215 HydrophobicContact CG2-CD2 3.83Å; I1213-L1215 HydrophobicContact CG2-CG 4.12Å; L1215-I1222 CarbonylContact O-C 3.59Å; L1215-I1222 WeakPolarHBondContact O-CA 3.32Å; L1215-L1223 HydrophobicContact CB-CB 4.27Å; L1215-L1223 HydrophobicContact CB-CD1 4.48Å; L1215-L1223 PolarHBondContact N-O 3.48Å; L1215-L1223 VanDerWaalsContact N-O 3.17Å; L1215-L1223 PolarHBondContact O-N 2.86Å; L1215-F1232 HydrophobicContact CD1-CD1 3.92Å; L1215-F1232 HydrophobicContact CD1-CE1 4.5Å; L1215-F1232 HydrophobicContact CD1-CG 4.43Å; L1215-F1232 HydrophobicContact CG-CD1 4.24Å; L1215-F1232 HydrophobicContact CG-CE1 4.39Å; L1215-V1249 HydrophobicContact CD1-CG1 3.97Å; L1215-I1251 HydrophobicContact CD1-CD1 3.76Å; L1215-I1251 HydrophobicContact CD1-CG1 3.77Å; L1215-I1260 HydrophobicContact CB-CD1 4.03Å; L1215-I1260 HydrophobicContact CB-CG1 4.5Å; L1215-I1260 HydrophobicContact CB-CG2 4.07Å; L1215-I1260 HydrophobicContact CD1-CD1 4.31Å; L1215-I1260 HydrophobicContact CD1-CG1 4.35Å; L1215-I1260 HydrophobicContact CD2-CG2 4.29Å; L1215-I1263 HydrophobicContact CD2-CB 3.96Å; L1215-I1263 HydrophobicContact CD2-CD1 3.65Å; L1215-I1263 HydrophobicContact CD2-CG1 3.71Å |
| 1216 | L | 93.2 | Very high | 82.7 | Confident | 23 Ų | 23 | 48.3 Ų | 48.3 | 12% | 0.12 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 113.8 | 171.6 | -172.8 | 63.8 | 0 | 0 | 0 | 109.1 | W1158 D1220 I1222 I1260 R1261 D1262 | W1158-L1216 HydrophobicContact CE3-CB 4.42Å; W1158-L1216 HydrophobicContact CH2-CB 3.93Å; W1158-L1216 HydrophobicContact CZ3-CB 3.74Å; L1216-D1220 WeakPolarHBondContact CD1-O 3.42Å; L1216-I1222 HydrophobicContact CD1-CG1 4.3Å; L1216-I1260 CarbonylContact O-C 3.59Å; L1216-I1260 WeakPolarHBondContact O-CA 3.34Å; L1216-R1261 PolarHBondContact O-N 3.41Å; L1216-D1262 HydrophobicContact CB-CB 3.91Å; L1216-D1262 HydrophobicContact CD2-CB 4.11Å; L1216-D1262 PolarHBondContact N-O 2.98Å |
| 1217 | G | 94 | Very high | 84.4 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 167.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1219 D1220 T1221 K1257 | G1217-D1219 PolarHBondContact O-N 3.31Å; G1217-D1220 PolarHBondContact O-N 2.93Å; G1217-T1221 PolarHBondContact N-O 3.06Å; G1217-K1257 WeakPolarHBondContact CA-O 3.48Å |
| 1218 | D | 94 | Very high | 85.7 | Confident | 38 Ų | 38 | 45.2 Ų | 45.2 | 20% | 0.203 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -44.8 | 179.6 | -179.3 | 112.8 | 0 | 0 | 0 | 113.1 | K1181 D1220 K1257 L1258 P1259 R1261 | K1181-D1218 WeakPolarHBondContact CE-OD1 3.41Å; K1181-D1218 WeakPolarHBondContact CE-OD2 3.44Å; K1181-D1218 IonicContact NZ-OD1 3.67Å; K1181-D1218 PolarHBondContact NZ-OD1 2.68Å; K1181-D1218 IonicContact NZ-OD2 3.08Å; K1181-D1218 PolarHBondContact NZ-OD2 2.75Å; D1218-D1220 PolarHBondContact O-N 2.87Å; D1218-K1257 PolarHBondContact N-O 3.02Å; D1218-L1258 WeakPolarHBondContact CB-O 3.31Å; D1218-P1259 WeakPolarHBondContact CB-O 3.41Å; D1218-P1259 PolarHBondContact N-O 3.46Å; D1218-P1259 VanDerWaalsContact N-O 3.12Å; D1218-R1261 PolarHBondContact O-NH1 3.45Å |
| 1219 | D | 92.7 | Very high | 86.4 | Confident | 57 Ų | 57 | 51.6 Ų | 51.6 | 31% | 0.305 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | 28.5 | 173.2 | 66.6 | 4.9 | 0 | 0 | 0 | 115.2 | G1217 T1221 S1256 K1257 | G1217-D1219 PolarHBondContact O-N 3.31Å; D1219-T1221 VanDerWaalsContact CG-OG1 3.29Å; D1219-T1221 PolarHBondContact O-N 2.92Å; D1219-T1221 WeakPolarHBondContact OD1-CB 3.5Å; D1219-T1221 PolarHBondContact OD1-N 3.06Å; D1219-T1221 PolarHBondContact OD1-OG1 3.47Å; D1219-S1256 VanDerWaalsContact CB-O 3.23Å; D1219-S1256 WeakPolarHBondContact CB-O 3.49Å; D1219-S1256 PolarHBondContact N-O 3.35Å; D1219-K1257 VanDerWaalsContact OD2-CG 3.25Å; D1219-K1257 WeakPolarHBondContact OD2-CG 3.31Å |
| 1220 | D | 92.9 | Very high | 87.1 | Confident | 106 Ų | 106 | 55.7 Ų | 55.7 | 57% | 0.567 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 53.2 | 12.4 | -173.5 | -57.3 | -46.6 | 0 | 0 | 0 | 114.5 | L1216 G1217 D1218 I1222 R1261 | L1216-D1220 WeakPolarHBondContact CD1-O 3.42Å; G1217-D1220 PolarHBondContact O-N 2.93Å; D1218-D1220 PolarHBondContact O-N 2.87Å; D1220-I1222 PolarHBondContact O-N 3.01Å; D1220-R1261 IonicContact OD1-CZ 3.57Å; D1220-R1261 IonicContact OD1-NH1 2.83Å; D1220-R1261 PolarHBondContact OD1-NH1 3.15Å; D1220-R1261 IonicContact OD1-NH2 3.76Å |
| 1221 | T | 93.1 | Very high | 88.1 | Confident | 11 Ų | 11 | 62 Ų | 62 | 7% | 0.067 | 30% | 0.298 | C | S | . | . | trans | -73.6 | 115.4 | 179 | -65 | 0 | 0 | 0 | 0 | 110.9 | G1217 D1219 L1223 R1230 | G1217-T1221 PolarHBondContact N-O 3.06Å; D1219-T1221 VanDerWaalsContact CG-OG1 3.29Å; D1219-T1221 PolarHBondContact O-N 2.92Å; D1219-T1221 WeakPolarHBondContact OD1-CB 3.5Å; D1219-T1221 PolarHBondContact OD1-N 3.06Å; D1219-T1221 PolarHBondContact OD1-OG1 3.47Å; T1221-L1223 HydrophobicContact CG2-CD2 3.77Å; T1221-L1223 PolarHBondContact O-N 3.17Å; T1221-R1230 HydrophobicContact CG2-CB 4.31Å; T1221-R1230 HydrophobicContact CG2-CG 3.78Å | ||
| 1222 | I | 93.1 | Very high | 89 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 30% | 0.303 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 126.1 | 162.8 | -56.8 | 177.8 | 0 | 0 | 0 | 109.7 | W1158 L1214 L1215 L1216 D1220 E1224 | W1158-I1222 HydrophobicContact CH2-CG1 4.3Å; W1158-I1222 HydrophobicContact CZ2-CD1 4.13Å; W1158-I1222 HydrophobicContact CZ2-CG1 4.26Å; L1214-I1222 HydrophobicContact CB-CG2 4.14Å; L1215-I1222 CarbonylContact O-C 3.59Å; L1215-I1222 WeakPolarHBondContact O-CA 3.32Å; L1216-I1222 HydrophobicContact CD1-CG1 4.3Å; D1220-I1222 PolarHBondContact O-N 3.01Å; I1222-E1224 HydrophobicContact CG2-CG 4.05Å |
| 1223 | L | 92.3 | Very high | 89.7 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 135.8 | 175.6 | -52.2 | 176.1 | 0 | 0 | 0 | 110.5 | L1215 T1221 R1230 F1232 I1251 K1257 I1260 | L1215-L1223 HydrophobicContact CB-CB 4.27Å; L1215-L1223 HydrophobicContact CB-CD1 4.48Å; L1215-L1223 PolarHBondContact N-O 3.48Å; L1215-L1223 VanDerWaalsContact N-O 3.17Å; L1215-L1223 PolarHBondContact O-N 2.86Å; T1221-L1223 HydrophobicContact CG2-CD2 3.77Å; T1221-L1223 PolarHBondContact O-N 3.17Å; L1223-R1230 CarbonylContact C-O 3.59Å; L1223-R1230 WeakPolarHBondContact CA-O 3.5Å; L1223-R1230 WeakPolarHBondContact CB-O 3.4Å; L1223-R1230 HydrophobicContact CD2-CB 4.12Å; L1223-R1230 WeakPolarHBondContact CD2-O 3.31Å; L1223-F1232 HydrophobicContact CB-CD1 4.07Å; L1223-F1232 WeakPolarHBondContact O-CE1 3.43Å; L1223-I1251 HydrophobicContact CD1-CG1 4.44Å; L1223-I1251 HydrophobicContact CD1-CG2 3.79Å; L1223-K1257 HydrophobicContact CD2-CD 4.13Å; L1223-I1260 HydrophobicContact CD1-CD1 3.7Å |
| 1224 | E | 89.9 | Confident | 89.8 | Confident | 84 Ų | 84 | 63.1 Ų | 63.1 | 39% | 0.393 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 137 | -170.9 | -42.1 | -176.9 | -179.5 | 0 | 0 | 111.4 | L1214 I1222 Y1226 H1227 R1230 K1231 | L1214-E1224 HydrophobicContact CD2-CB 4.35Å; L1214-E1224 HydrophobicContact CD2-CG 3.91Å; I1222-E1224 HydrophobicContact CG2-CG 4.05Å; E1224-Y1226 PolarHBondContact O-N 2.72Å; E1224-H1227 HydrophobicContact CB-CB 4.14Å; E1224-H1227 PolarHBondContact O-N 2.73Å; E1224-R1230 PolarHBondContact N-O 3.41Å; E1224-K1231 WeakPolarHBondContact O-CA 3.32Å |
| 1225 | R | 86.3 | Confident | 89.8 | Confident | 69 Ų | 69 | 65.3 Ų | 65.3 | 26% | 0.26 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.3 | -37.5 | -174 | -167.1 | -172.9 | -168 | -157.7 | 19.6 | 115 | E1211 F1232 I1234 | E1211-R1225 IonicContact OE1-CZ 3.29Å; E1211-R1225 IonicContact OE1-NH1 2.71Å; E1211-R1225 PolarHBondContact OE1-NH1 2.93Å; R1225-F1232 HydrophobicContact CB-CE2 3.64Å; R1225-F1232 HydrophobicContact CB-CZ 3.82Å; R1225-F1232 HydrophobicContact CG-CE2 4.04Å; R1225-F1232 VanDerWaalsContact N-CZ 3.3Å; R1225-I1234 HydrophobicContact CG-CG1 4.46Å |
| 1226 | Y | 85.2 | Confident | 89.6 | Confident | 154 Ų | 154 | 68.9 Ų | 68.9 | 60% | 0.604 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -8.1 | -172.6 | -59.7 | -70.7 | 0 | 0 | 0 | 114.9 | E1211 E1224 | E1211-Y1226 HydrophobicContact CG-CE2 4.28Å; E1211-Y1226 PolarHBondContact OE1-OH 3.37Å; E1224-Y1226 PolarHBondContact O-N 2.72Å |
| 1227 | H | 87.4 | Confident | 89.3 | Confident | 65 Ų | 65 | 68.9 Ų | 68.9 | 30% | 0.301 | 33% | 0.328 | S | S | . | . | trans | -72.4 | 123.1 | -172.5 | -172.6 | -81.5 | 0 | 0 | 0 | 111.7 | E1224 L1229 R1230 K1231 | E1224-H1227 HydrophobicContact CB-CB 4.14Å; E1224-H1227 PolarHBondContact O-N 2.73Å; H1227-L1229 VanDerWaalsContact C-N 3.27Å; H1227-L1229 PolarHBondContact ND1-N 3.37Å; H1227-L1229 PolarHBondContact O-N 2.6Å; H1227-R1230 HydrophobicContact CB-CB 4.04Å; H1227-R1230 VanDerWaalsContact ND1-CB 3.26Å; H1227-R1230 WeakPolarHBondContact ND1-CB 3.42Å; H1227-R1230 WeakPolarHBondContact ND1-CG 3.19Å; H1227-R1230 PolarHBondContact ND1-N 2.78Å; H1227-R1230 VanDerWaalsContact ND1-N 3.14Å; H1227-R1230 PolarHBondContact O-N 2.67Å; H1227-R1230 VanDerWaalsContact O-N 3.08Å; H1227-K1231 VanDerWaalsContact O-CB 3.28Å; H1227-K1231 WeakPolarHBondContact O-CB 3.4Å; H1227-K1231 PolarHBondContact O-N 3.48Å | ||
| 1228 | P | 82.3 | Confident | 88.9 | Confident | 98 Ų | 98 | 71.6 Ų | 71.6 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -35.9 | -166.3 | 19.9 | -32.8 | 0 | 0 | 0 | 114.3 | ||
| 1229 | L | 80.1 | Confident | 88.2 | Confident | 142 Ų | 142 | 70.1 Ų | 70.1 | 74% | 0.743 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 2.3 | -178.6 | -57.6 | 176.8 | 0 | 0 | 0 | 114.2 | H1227 K1257 | H1227-L1229 VanDerWaalsContact C-N 3.27Å; H1227-L1229 PolarHBondContact ND1-N 3.37Å; H1227-L1229 PolarHBondContact O-N 2.6Å; L1229-K1257 PolarHBondContact O-NZ 3.39Å |
| 1230 | R | 86.4 | Confident | 87 | Confident | 108 Ų | 108 | 68.2 Ų | 68.2 | 41% | 0.408 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.3 | 19.1 | -173.3 | -58 | 175.3 | 167.6 | -159.1 | -7.7 | 112.8 | T1221 L1223 E1224 H1227 | T1221-R1230 HydrophobicContact CG2-CB 4.31Å; T1221-R1230 HydrophobicContact CG2-CG 3.78Å; L1223-R1230 CarbonylContact C-O 3.59Å; L1223-R1230 WeakPolarHBondContact CA-O 3.5Å; L1223-R1230 WeakPolarHBondContact CB-O 3.4Å; L1223-R1230 HydrophobicContact CD2-CB 4.12Å; L1223-R1230 WeakPolarHBondContact CD2-O 3.31Å; E1224-R1230 PolarHBondContact N-O 3.41Å; H1227-R1230 HydrophobicContact CB-CB 4.04Å; H1227-R1230 VanDerWaalsContact ND1-CB 3.26Å; H1227-R1230 WeakPolarHBondContact ND1-CB 3.42Å; H1227-R1230 WeakPolarHBondContact ND1-CG 3.19Å; H1227-R1230 PolarHBondContact ND1-N 2.78Å; H1227-R1230 VanDerWaalsContact ND1-N 3.14Å; H1227-R1230 PolarHBondContact O-N 2.67Å; H1227-R1230 VanDerWaalsContact O-N 3.08Å |
| 1231 | K | 89 | Confident | 86.1 | Confident | 132 Ų | 132 | 68.8 Ų | 68.8 | 57% | 0.574 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 133.8 | 177.9 | 59.3 | -173.5 | 178.8 | -176.8 | 0 | 113.1 | E1224 H1227 | E1224-K1231 WeakPolarHBondContact O-CA 3.32Å; H1227-K1231 VanDerWaalsContact O-CB 3.28Å; H1227-K1231 WeakPolarHBondContact O-CB 3.4Å; H1227-K1231 PolarHBondContact O-N 3.48Å |
| 1232 | F | 91.2 | Very high | 85.2 | Confident | 8 Ų | 8 | 72.2 Ų | 72.2 | 4% | 0.035 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 163.1 | 155.1 | 53 | -109.9 | 0 | 0 | 0 | 110.2 | I1213 L1215 L1223 R1225 I1234 V1249 I1251 | I1213-F1232 HydrophobicContact CB-CZ 4.09Å; I1213-F1232 HydrophobicContact CG2-CE1 4.42Å; I1213-F1232 HydrophobicContact CG2-CZ 4.32Å; I1213-F1232 WeakPolarHBondContact O-CE1 3.47Å; I1213-F1232 VanDerWaalsContact O-CZ 3.31Å; I1213-F1232 WeakPolarHBondContact O-CZ 3.22Å; L1215-F1232 HydrophobicContact CD1-CD1 3.92Å; L1215-F1232 HydrophobicContact CD1-CE1 4.5Å; L1215-F1232 HydrophobicContact CD1-CG 4.43Å; L1215-F1232 HydrophobicContact CG-CD1 4.24Å; L1215-F1232 HydrophobicContact CG-CE1 4.39Å; L1223-F1232 HydrophobicContact CB-CD1 4.07Å; L1223-F1232 WeakPolarHBondContact O-CE1 3.43Å; R1225-F1232 HydrophobicContact CB-CE2 3.64Å; R1225-F1232 HydrophobicContact CB-CZ 3.82Å; R1225-F1232 HydrophobicContact CG-CE2 4.04Å; R1225-F1232 VanDerWaalsContact N-CZ 3.3Å; F1232-I1234 HydrophobicContact CD2-CD1 3.96Å; F1232-I1234 HydrophobicContact CD2-CG1 4.46Å; F1232-I1234 HydrophobicContact CE2-CD1 3.75Å; F1232-I1234 HydrophobicContact CE2-CG1 4.31Å; F1232-V1249 HydrophobicContact CB-CG1 3.48Å; F1232-V1249 VanDerWaalsContact CB-CG1 3.48Å; F1232-V1249 HydrophobicContact CD1-CG1 4.27Å; F1232-V1249 HydrophobicContact CD2-CG1 3.54Å; F1232-V1249 HydrophobicContact CE2-CG1 4.32Å; F1232-V1249 HydrophobicContact CG-CG1 3.5Å; F1232-I1251 HydrophobicContact CB-CG1 4.08Å |
| 1233 | H | 90.9 | Very high | 84 | Confident | 111 Ų | 111 | 73.3 Ų | 73.3 | 51% | 0.514 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 151.5 | 171.9 | -165 | 60.9 | 0 | 0 | 0 | 111 | V1249 L1250 | H1233-V1249 WeakPolarHBondContact O-CA 3.36Å; H1233-L1250 PolarHBondContact N-O 3.24Å; H1233-L1250 PolarHBondContact O-N 3.47Å |
| 1234 | I | 89.5 | Confident | 83.4 | Confident | 29 Ų | 29 | 77.9 Ų | 77.9 | 15% | 0.149 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 111.8 | 174.3 | -62.1 | -61.3 | 0 | 0 | 0 | 107.8 | A1210 R1225 F1232 D1237 V1249 | A1210-I1234 HydrophobicContact CB-CD1 3.47Å; A1210-I1234 VanDerWaalsContact CB-CD1 3.47Å; A1210-I1234 HydrophobicContact CB-CG1 3.66Å; A1210-I1234 HydrophobicContact CB-CG2 4.29Å; R1225-I1234 HydrophobicContact CG-CG1 4.46Å; F1232-I1234 HydrophobicContact CD2-CD1 3.96Å; F1232-I1234 HydrophobicContact CD2-CG1 4.46Å; F1232-I1234 HydrophobicContact CE2-CD1 3.75Å; F1232-I1234 HydrophobicContact CE2-CG1 4.31Å; I1234-D1237 HydrophobicContact CG2-CB 3.89Å; I1234-V1249 HydrophobicContact CD1-CG2 3.91Å |
| 1235 | E | 89.6 | Confident | 83.1 | Confident | 73 Ų | 73 | 73.9 Ų | 73.9 | 34% | 0.341 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -36.2 | -179.8 | -173.6 | -179.1 | -143.8 | 0 | 0 | 111.2 | R1190 T1248 | R1190-E1235 IonicContact CZ-OE2 2.79Å; R1190-E1235 IonicContact NE-OE2 2.63Å; R1190-E1235 PolarHBondContact NE-OE2 3.42Å; R1190-E1235 IonicContact NH2-OE1 2.61Å; R1190-E1235 IonicContact NH2-OE2 3.82Å; R1190-E1235 PolarHBondContact NH2-OE2 3.07Å; E1235-T1248 HydrophobicContact CB-CG2 4.41Å; E1235-T1248 PolarHBondContact N-O 3.5Å |
| 1236 | Q | 88.3 | Confident | 83.2 | Confident | 75 Ų | 75 | 75.2 Ų | 75.2 | 35% | 0.35 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 140.2 | -177.9 | -172.3 | 171.8 | 4.8 | 0 | 0 | 108.9 | Q1238 T1247 T1248 | Q1236-Q1238 HydrophobicContact CG-CG 4.15Å; Q1236-Q1238 VanDerWaalsContact NE2-CD 3.28Å; Q1236-Q1238 VanDerWaalsContact NE2-NE2 3.1Å; Q1236-T1247 CarbonylContact O-C 3.54Å; Q1236-T1247 WeakPolarHBondContact O-CA 3.37Å; Q1236-T1248 PolarHBondContact N-O 3.14Å; Q1236-T1248 PolarHBondContact O-N 3.29Å |
| 1237 | D | 87.2 | Confident | 83.3 | Confident | 23 Ų | 23 | 67.9 Ų | 67.9 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 100.5 | 176.9 | 176.1 | 55.6 | 0 | 0 | 0 | 109.5 | S1208 I1234 K1241 T1247 | S1208-D1237 WeakPolarHBondContact CB-OD2 3.45Å; S1208-D1237 PolarHBondContact OG-OD1 3.4Å; S1208-D1237 PolarHBondContact OG-OD2 3.18Å; I1234-D1237 HydrophobicContact CG2-CB 3.89Å; D1237-K1241 WeakPolarHBondContact O-CD 3.44Å; D1237-K1241 PolarHBondContact O-NZ 3.46Å; D1237-K1241 IonicContact OD2-NZ 2.66Å; D1237-K1241 PolarHBondContact OD2-NZ 3.49Å; D1237-T1247 HydrophobicContact CB-CG2 4.29Å; D1237-T1247 WeakPolarHBondContact OD1-CG2 3.38Å; D1237-T1247 PolarHBondContact OD1-OG1 3.19Å |
| 1238 | Q | 85.6 | Confident | 83.6 | Confident | 58 Ų | 58 | 64.9 Ų | 64.9 | 27% | 0.271 | 32% | 0.321 | S | S | . | . | trans | -115 | -13.5 | -178.9 | -66.9 | 175.8 | -31.3 | 0 | 0 | 113 | Q1236 G1240 K1241 I1242 Y1246 | Q1236-Q1238 HydrophobicContact CG-CG 4.15Å; Q1236-Q1238 VanDerWaalsContact NE2-CD 3.28Å; Q1236-Q1238 VanDerWaalsContact NE2-NE2 3.1Å; Q1238-G1240 PolarHBondContact O-N 3.37Å; Q1238-K1241 WeakPolarHBondContact O-CB 3.47Å; Q1238-K1241 PolarHBondContact O-N 2.96Å; Q1238-I1242 HydrophobicContact CB-CD1 4Å; Q1238-I1242 HydrophobicContact CB-CG1 3.98Å; Q1238-I1242 HydrophobicContact CG-CD1 4.24Å; Q1238-I1242 PolarHBondContact O-N 3.15Å; Q1238-Y1246 WeakPolarHBondContact CB-O 3.38Å; Q1238-Y1246 PolarHBondContact N-O 3.48Å | ||
| 1239 | C | 78.7 | Confident | 84 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 4% | 0.041 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 134.4 | 177 | -65.9 | 0 | 0 | 0 | 0 | 111.4 | C1195 L1209 K1241 T1247 | C1195-C1239 HydrophobicContact CB-CB 3.96Å; C1195-C1239 WeakPolarHBondContact CB-SG 3.28Å; C1195-C1239 WeakPolarHBondContact SG-CA 3.43Å; C1195-C1239 WeakPolarHBondContact SG-CB 3.21Å; C1195-C1239 CovalentContact SG-SG 2.03Å; C1195-C1239 PolarHBondContact SG-SG 3.14Å; L1209-C1239 HydrophobicContact CB-CB 3.82Å; L1209-C1239 HydrophobicContact CD2-CB 3.59Å; L1209-C1239 HydrophobicContact CG-CB 4.35Å; C1239-K1241 PolarHBondContact O-N 3.46Å; C1239-T1247 WeakPolarHBondContact CB-OG1 3.33Å; C1239-T1247 PolarHBondContact N-OG1 2.75Å; C1239-T1247 PolarHBondContact SG-OG1 3.04Å |
| 1240 | G | 67.8 | Low | 84.7 | Confident | 18 Ų | 18 | 55.5 Ų | 55.5 | 19% | 0.186 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -5.4 | -170 | 0 | 0 | 0 | 0 | 0 | 115.2 | V1203 Q1238 | V1203-G1240 WeakPolarHBondContact CG1-O 3.32Å; Q1238-G1240 PolarHBondContact O-N 3.37Å |
| 1241 | K | 73.4 | Confident | 85 | Confident | 118 Ų | 118 | 50.8 Ų | 50.8 | 51% | 0.513 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -29.6 | -179.8 | -59.4 | 172.4 | -164.9 | 153.5 | 0 | 113.5 | V1203 D1237 Q1238 C1239 | V1203-K1241 WeakPolarHBondContact CG1-O 3.48Å; D1237-K1241 WeakPolarHBondContact O-CD 3.44Å; D1237-K1241 PolarHBondContact O-NZ 3.46Å; D1237-K1241 IonicContact OD2-NZ 2.66Å; D1237-K1241 PolarHBondContact OD2-NZ 3.49Å; Q1238-K1241 WeakPolarHBondContact O-CB 3.47Å; Q1238-K1241 PolarHBondContact O-N 2.96Å; C1239-K1241 PolarHBondContact O-N 3.46Å |
| 1242 | I | 74.4 | Confident | 85 | Confident | 83 Ų | 83 | 49.7 Ų | 49.7 | 43% | 0.426 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -138.6 | 155.5 | 172.3 | 61.6 | 178.2 | 0 | 0 | 0 | 110.2 | Q1238 | Q1238-I1242 HydrophobicContact CB-CD1 4Å; Q1238-I1242 HydrophobicContact CB-CG1 3.98Å; Q1238-I1242 HydrophobicContact CG-CD1 4.24Å; Q1238-I1242 PolarHBondContact O-N 3.15Å |
| 1243 | T | 69.2 | Low | 84.9 | Confident | 82 Ų | 82 | 50.6 Ų | 50.6 | 50% | 0.503 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 135.2 | 164.1 | 36.2 | 0 | 0 | 0 | 0 | 110 | L1198 G1245 | L1198-T1243 HydrophobicContact CB-CG2 4.31Å; L1198-T1243 WeakPolarHBondContact O-CG2 3.47Å; T1243-G1245 PolarHBondContact O-N 3.36Å |
| 1244 | N | 79.6 | Confident | 84.9 | Confident | 99 Ų | 99 | 49.3 Ų | 49.3 | 53% | 0.529 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 43 | -179.6 | -53.6 | -14.5 | 0 | 0 | 0 | 113.5 | C1195 S1196 G1197 | C1195-N1244 VanDerWaalsContact O-CA 3.32Å; C1195-N1244 WeakPolarHBondContact O-CA 3.22Å; C1195-N1244 PolarHBondContact O-N 3.22Å; S1196-N1244 WeakPolarHBondContact CA-OD1 3.43Å; G1197-N1244 PolarHBondContact N-OD1 3.2Å |
| 1245 | G | 82 | Confident | 85.2 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 172.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | C1195 T1243 | C1195-G1245 PolarHBondContact N-O 3.15Å; C1195-G1245 PolarHBondContact SG-O 3.44Å; T1243-G1245 PolarHBondContact O-N 3.36Å |
| 1246 | Y | 88.5 | Confident | 85.4 | Confident | 98 Ų | 98 | 47.1 Ų | 47.1 | 38% | 0.384 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 138.8 | 171.1 | -63 | -93.8 | 0 | 0 | 0 | 111.9 | L1193 Q1238 I1276 | L1193-Y1246 CarbonylContact O-C 3.58Å; L1193-Y1246 WeakPolarHBondContact O-CA 3.43Å; Q1238-Y1246 WeakPolarHBondContact CB-O 3.38Å; Q1238-Y1246 PolarHBondContact N-O 3.48Å; Y1246-I1276 HydrophobicContact CD1-CD1 4.45Å; Y1246-I1276 HydrophobicContact CE1-CD1 3.84Å |
| 1247 | T | 88.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 117 | 164 | -66.5 | 0 | 0 | 0 | 0 | 108.7 | S1192 L1193 A1210 I1213 Q1236 D1237 C1239 | S1192-T1247 WeakPolarHBondContact CA-O 3.19Å; L1193-T1247 PolarHBondContact N-O 3.08Å; L1193-T1247 PolarHBondContact O-N 3.13Å; A1210-T1247 HydrophobicContact CB-CG2 4.1Å; I1213-T1247 HydrophobicContact CD1-CG2 4.18Å; Q1236-T1247 CarbonylContact O-C 3.54Å; Q1236-T1247 WeakPolarHBondContact O-CA 3.37Å; D1237-T1247 HydrophobicContact CB-CG2 4.29Å; D1237-T1247 WeakPolarHBondContact OD1-CG2 3.38Å; D1237-T1247 PolarHBondContact OD1-OG1 3.19Å; C1239-T1247 WeakPolarHBondContact CB-OG1 3.33Å; C1239-T1247 PolarHBondContact N-OG1 2.75Å; C1239-T1247 PolarHBondContact SG-OG1 3.04Å |
| 1248 | T | 91.9 | Very high | 86 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 122 | -170.1 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | R1190 I1191 S1192 E1235 Q1236 | R1190-T1248 HydrophobicContact CG-CG2 3.77Å; I1191-T1248 CarbonylContact O-C 3.55Å; I1191-T1248 WeakPolarHBondContact O-CA 3.38Å; S1192-T1248 WeakPolarHBondContact OG-CG2 3.25Å; S1192-T1248 PolarHBondContact OG-OG1 3.13Å; E1235-T1248 HydrophobicContact CB-CG2 4.41Å; E1235-T1248 PolarHBondContact N-O 3.5Å; Q1236-T1248 PolarHBondContact N-O 3.14Å; Q1236-T1248 PolarHBondContact O-N 3.29Å |
| 1249 | V | 92.6 | Very high | 86.5 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 133.4 | 179.2 | -171 | 0 | 0 | 0 | 0 | 109.4 | R1190 I1191 I1213 L1215 F1232 H1233 I1234 I1251 | R1190-V1249 WeakPolarHBondContact CA-O 3.45Å; I1191-V1249 PolarHBondContact N-O 3.16Å; I1191-V1249 PolarHBondContact O-N 3.36Å; I1213-V1249 HydrophobicContact CD1-CG2 3.89Å; L1215-V1249 HydrophobicContact CD1-CG1 3.97Å; F1232-V1249 HydrophobicContact CB-CG1 3.48Å; F1232-V1249 VanDerWaalsContact CB-CG1 3.48Å; F1232-V1249 HydrophobicContact CD1-CG1 4.27Å; F1232-V1249 HydrophobicContact CD2-CG1 3.54Å; F1232-V1249 HydrophobicContact CE2-CG1 4.32Å; F1232-V1249 HydrophobicContact CG-CG1 3.5Å; H1233-V1249 WeakPolarHBondContact O-CA 3.36Å; I1234-V1249 HydrophobicContact CD1-CG2 3.91Å; V1249-I1251 HydrophobicContact CG1-CD1 4.07Å; V1249-I1251 HydrophobicContact CG1-CG1 4.3Å |
| 1250 | L | 93.3 | Very high | 87.3 | Confident | 41 Ų | 41 | 41.7 Ų | 41.7 | 22% | 0.215 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 110.4 | 173.3 | -179.7 | 66.7 | 0 | 0 | 0 | 109.1 | V1188 H1233 | V1188-L1250 HydrophobicContact CG1-CD1 3.69Å; H1233-L1250 PolarHBondContact N-O 3.24Å; H1233-L1250 PolarHBondContact O-N 3.47Å |
| 1251 | I | 93 | Very high | 88.5 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 5% | 0.046 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 129.8 | 174 | -48.8 | 90.1 | 0 | 0 | 0 | 107.6 | V1188 Q1189 I1191 L1215 L1223 F1232 V1249 L1258 I1260 | V1188-I1251 CarbonylContact C-O 3.56Å; V1188-I1251 VanDerWaalsContact CA-O 3.29Å; V1188-I1251 WeakPolarHBondContact CA-O 3.39Å; Q1189-I1251 PolarHBondContact N-O 2.94Å; Q1189-I1251 WeakPolarHBondContact O-CD1 3.23Å; Q1189-I1251 PolarHBondContact O-N 3.48Å; I1191-I1251 HydrophobicContact CD1-CD1 4.13Å; I1191-I1251 HydrophobicContact CG1-CD1 4.27Å; L1215-I1251 HydrophobicContact CD1-CD1 3.76Å; L1215-I1251 HydrophobicContact CD1-CG1 3.77Å; L1223-I1251 HydrophobicContact CD1-CG1 4.44Å; L1223-I1251 HydrophobicContact CD1-CG2 3.79Å; F1232-I1251 HydrophobicContact CB-CG1 4.08Å; V1249-I1251 HydrophobicContact CG1-CD1 4.07Å; V1249-I1251 HydrophobicContact CG1-CG1 4.3Å; I1251-L1258 HydrophobicContact CB-CD1 4.49Å; I1251-L1258 HydrophobicContact CB-CD2 4.17Å; I1251-L1258 HydrophobicContact CG2-CD1 4.22Å; I1251-L1258 HydrophobicContact CG2-CD2 3.94Å; I1251-L1258 HydrophobicContact CG2-CG 4.27Å; I1251-I1260 HydrophobicContact CD1-CG1 4.12Å; I1251-I1260 HydrophobicContact CG1-CD1 4.32Å; I1251-I1260 HydrophobicContact CG1-CG1 4.41Å |
| 1252 | H | 90.2 | Very high | 89.4 | Confident | 109 Ų | 109 | 38.3 Ų | 38.3 | 51% | 0.505 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 142.3 | 174.1 | 63.3 | -79.5 | 0 | 0 | 0 | 110.2 | A1187 V1188 | A1187-H1252 WeakPolarHBondContact O-CA 3.25Å; V1188-H1252 HydrophobicContact CG1-CB 4.48Å; V1188-H1252 HydrophobicContact CG2-CB 3.84Å |
| 1253 | G | 88.3 | Confident | 90.1 | Very high | 26 Ų | 26 | 34.4 Ų | 34.4 | 27% | 0.268 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.8 | -143.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | M1186 A1187 | M1186-G1253 WeakPolarHBondContact CA-O 3.33Å; M1186-G1253 WeakPolarHBondContact CG-O 3.43Å; A1187-G1253 PolarHBondContact N-O 3.4Å; A1187-G1253 PolarHBondContact O-N 2.87Å |
| 1254 | N | 91.4 | Very high | 90.9 | Very high | 84 Ų | 84 | 30.7 Ų | 30.7 | 45% | 0.449 | 16% | 0.157 | S | C | . | . | trans | -52.1 | 123.5 | -177.1 | -179.2 | 5.7 | 0 | 0 | 0 | 111.8 | S1256 K1257 | N1254-S1256 PolarHBondContact ND2-OG 3.45Å; N1254-S1256 PolarHBondContact O-N 3.4Å; N1254-S1256 VanDerWaalsContact O-N 3.12Å; N1254-S1256 PolarHBondContact OD1-N 3.34Å; N1254-S1256 VanDerWaalsContact OD1-N 3.08Å; N1254-S1256 PolarHBondContact OD1-OG 2.93Å; N1254-K1257 PolarHBondContact O-N 2.92Å | ||
| 1255 | P | 94.5 | Very high | 90.8 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 4% | 0.039 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -49.8 | -31.7 | 173.6 | -29.7 | 36.5 | 0 | 0 | 0 | 115.5 | K1181 A1187 K1257 L1258 Y1282 | K1181-P1255 HydrophobicContact CB-CB 4Å; K1181-P1255 HydrophobicContact CG-CB 4.27Å; A1187-P1255 HydrophobicContact CB-CB 4.24Å; A1187-P1255 HydrophobicContact CB-CG 4.36Å; P1255-K1257 PolarHBondContact O-N 3.07Å; P1255-K1257 VanDerWaalsContact O-N 3.16Å; P1255-L1258 PolarHBondContact O-N 3.01Å; P1255-L1258 VanDerWaalsContact O-O 3.09Å; P1255-Y1282 HydrophobicContact CB-CD1 4.14Å; P1255-Y1282 HydrophobicContact CB-CE1 4.05Å |
| 1256 | S | 93.6 | Very high | 90.1 | Very high | 50 Ų | 50 | 27.6 Ų | 27.6 | 35% | 0.35 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -59.4 | -25.2 | 177.8 | -48.6 | 0 | 0 | 0 | 0 | 114.1 | D1219 N1254 L1258 | D1219-S1256 VanDerWaalsContact CB-O 3.23Å; D1219-S1256 WeakPolarHBondContact CB-O 3.49Å; D1219-S1256 PolarHBondContact N-O 3.35Å; N1254-S1256 PolarHBondContact ND2-OG 3.45Å; N1254-S1256 PolarHBondContact O-N 3.4Å; N1254-S1256 VanDerWaalsContact O-N 3.12Å; N1254-S1256 PolarHBondContact OD1-N 3.34Å; N1254-S1256 VanDerWaalsContact OD1-N 3.08Å; N1254-S1256 PolarHBondContact OD1-OG 2.93Å; S1256-L1258 VanDerWaalsContact C-N 3.31Å |
| 1257 | K | 94 | Very high | 88.7 | Confident | 44 Ų | 44 | 28.7 Ų | 28.7 | 19% | 0.191 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -85.3 | -3.4 | -177.3 | -68 | 178.8 | 172.7 | -175 | 0 | 113.8 | G1217 D1218 D1219 L1223 L1229 N1254 P1255 | G1217-K1257 WeakPolarHBondContact CA-O 3.48Å; D1218-K1257 PolarHBondContact N-O 3.02Å; D1219-K1257 VanDerWaalsContact OD2-CG 3.25Å; D1219-K1257 WeakPolarHBondContact OD2-CG 3.31Å; L1223-K1257 HydrophobicContact CD2-CD 4.13Å; L1229-K1257 PolarHBondContact O-NZ 3.39Å; N1254-K1257 PolarHBondContact O-N 2.92Å; P1255-K1257 PolarHBondContact O-N 3.07Å; P1255-K1257 VanDerWaalsContact O-N 3.16Å |
| 1258 | L | 95.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | trans | -128.2 | 151.2 | -174.5 | -74.8 | 177 | 0 | 0 | 0 | 110.7 | K1181 A1187 Q1189 D1218 I1251 P1255 S1256 I1260 V1280 Y1282 | K1181-L1258 WeakPolarHBondContact CE-O 3.37Å; A1187-L1258 HydrophobicContact CB-CB 4.08Å; A1187-L1258 HydrophobicContact CB-CD1 3.73Å; A1187-L1258 HydrophobicContact CB-CG 4.47Å; Q1189-L1258 HydrophobicContact CB-CD1 4.11Å; Q1189-L1258 HydrophobicContact CB-CD2 3.8Å; D1218-L1258 WeakPolarHBondContact CB-O 3.31Å; I1251-L1258 HydrophobicContact CB-CD1 4.49Å; I1251-L1258 HydrophobicContact CB-CD2 4.17Å; I1251-L1258 HydrophobicContact CG2-CD1 4.22Å; I1251-L1258 HydrophobicContact CG2-CD2 3.94Å; I1251-L1258 HydrophobicContact CG2-CG 4.27Å; P1255-L1258 PolarHBondContact O-N 3.01Å; P1255-L1258 VanDerWaalsContact O-O 3.09Å; S1256-L1258 VanDerWaalsContact C-N 3.31Å; L1258-I1260 HydrophobicContact CD2-CD1 3.71Å; L1258-I1260 HydrophobicContact CD2-CG1 3.82Å; L1258-V1280 HydrophobicContact CB-CG2 3.9Å; L1258-Y1282 VanDerWaalsContact C-OH 3.24Å; L1258-Y1282 PolarHBondContact O-OH 3.25Å | ||
| 1259 | P | 96.1 | Very high | 85.4 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | S | Bend | cis | -68 | 170.8 | -1.1 | 30.9 | -36.5 | 0 | 0 | 0 | 114.4 | Y1170 L1177 D1218 V1280 Y1282 | Y1170-P1259 HydrophobicContact CD1-CB 4.24Å; Y1170-P1259 HydrophobicContact CD2-CB 3.74Å; Y1170-P1259 HydrophobicContact CD2-CG 3.6Å; Y1170-P1259 HydrophobicContact CE1-CB 3.89Å; Y1170-P1259 HydrophobicContact CE2-CB 3.36Å; Y1170-P1259 HydrophobicContact CE2-CG 3.63Å; Y1170-P1259 HydrophobicContact CG-CB 4.19Å; Y1170-P1259 HydrophobicContact CG-CG 4.19Å; Y1170-P1259 VanDerWaalsContact CZ-CB 3.44Å; L1177-P1259 HydrophobicContact CD2-CG 4.35Å; D1218-P1259 WeakPolarHBondContact CB-O 3.41Å; D1218-P1259 PolarHBondContact N-O 3.46Å; D1218-P1259 VanDerWaalsContact N-O 3.12Å; P1259-V1280 HydrophobicContact CB-CB 4.25Å; P1259-V1280 HydrophobicContact CB-CG1 4.11Å; P1259-V1280 HydrophobicContact CB-CG2 4.28Å; P1259-Y1282 WeakPolarHBondContact CD-OH 3.47Å |
| 1260 | I | 95.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 125.6 | 166.1 | -59.5 | -53.7 | 0 | 0 | 0 | 109.6 | Y1170 I1191 L1215 L1216 L1223 I1251 L1258 D1262 | Y1170-I1260 WeakPolarHBondContact CE2-O 3.42Å; Y1170-I1260 PolarHBondContact OH-O 2.03Å; I1191-I1260 HydrophobicContact CD1-CB 3.77Å; I1191-I1260 HydrophobicContact CD1-CG1 3.69Å; I1191-I1260 HydrophobicContact CD1-CG2 3.97Å; L1215-I1260 HydrophobicContact CB-CD1 4.03Å; L1215-I1260 HydrophobicContact CB-CG1 4.5Å; L1215-I1260 HydrophobicContact CB-CG2 4.07Å; L1215-I1260 HydrophobicContact CD1-CD1 4.31Å; L1215-I1260 HydrophobicContact CD1-CG1 4.35Å; L1215-I1260 HydrophobicContact CD2-CG2 4.29Å; L1216-I1260 CarbonylContact O-C 3.59Å; L1216-I1260 WeakPolarHBondContact O-CA 3.34Å; L1223-I1260 HydrophobicContact CD1-CD1 3.7Å; I1251-I1260 HydrophobicContact CD1-CG1 4.12Å; I1251-I1260 HydrophobicContact CG1-CD1 4.32Å; I1251-I1260 HydrophobicContact CG1-CG1 4.41Å; L1258-I1260 HydrophobicContact CD2-CD1 3.71Å; L1258-I1260 HydrophobicContact CD2-CG1 3.82Å; I1260-D1262 VanDerWaalsContact CG2-O 3.23Å; I1260-D1262 WeakPolarHBondContact CG2-O 3.36Å |
| 1261 | R | 92.9 | Very high | 82 | Confident | 62 Ų | 62 | 39.4 Ų | 39.4 | 23% | 0.234 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -32.7 | 179.6 | -77.8 | 169.8 | 66.8 | -154.3 | -15.4 | 113 | E1167 L1168 L1216 D1218 D1220 | E1167-R1261 HydrophobicContact CG-CB 3.85Å; E1167-R1261 HydrophobicContact CG-CG 4.35Å; E1167-R1261 WeakPolarHBondContact CG-O 3.47Å; E1167-R1261 IonicContact OE1-CZ 3.83Å; E1167-R1261 VanDerWaalsContact OE1-CZ 3.24Å; E1167-R1261 IonicContact OE1-NE 2.73Å; E1167-R1261 PolarHBondContact OE1-NE 3.18Å; E1167-R1261 IonicContact OE1-NH2 2.94Å; E1167-R1261 PolarHBondContact OE1-NH2 3.2Å; E1167-R1261 IonicContact OE2-CZ 2.75Å; E1167-R1261 IonicContact OE2-NE 2.68Å; E1167-R1261 PolarHBondContact OE2-NE 2.86Å; E1167-R1261 VanDerWaalsContact OE2-NE 3.08Å; E1167-R1261 IonicContact OE2-NH2 3.72Å; E1167-R1261 PolarHBondContact OE2-NH2 3.18Å; L1168-R1261 VanDerWaalsContact CB-O 3.25Å; L1168-R1261 WeakPolarHBondContact CB-O 3.39Å; L1168-R1261 VanDerWaalsContact CG-O 3.22Å; L1168-R1261 WeakPolarHBondContact CG-O 3.48Å; L1168-R1261 PolarHBondContact N-O 3.12Å; L1216-R1261 PolarHBondContact O-N 3.41Å; D1218-R1261 PolarHBondContact O-NH1 3.45Å; D1220-R1261 IonicContact OD1-CZ 3.57Å; D1220-R1261 IonicContact OD1-NH1 2.83Å; D1220-R1261 PolarHBondContact OD1-NH1 3.15Å; D1220-R1261 IonicContact OD1-NH2 3.76Å |
| 1262 | D | 92.3 | Very high | 81 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.011 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 164.6 | -179.5 | -150.2 | -40.3 | 0 | 0 | 0 | 112.5 | W1158 L1159 Q1160 L1216 I1260 | W1158-D1262 HydrophobicContact CE3-CB 3.76Å; W1158-D1262 HydrophobicContact CZ3-CB 4.28Å; L1159-D1262 WeakPolarHBondContact CB-OD1 3.36Å; L1159-D1262 PolarHBondContact N-OD1 2.97Å; Q1160-D1262 WeakPolarHBondContact CB-OD2 3.38Å; Q1160-D1262 VanDerWaalsContact CD-OD2 3.29Å; Q1160-D1262 WeakPolarHBondContact CG-OD2 3Å; Q1160-D1262 PolarHBondContact N-OD2 3.27Å; Q1160-D1262 PolarHBondContact NE2-OD2 3.05Å; L1216-D1262 HydrophobicContact CB-CB 3.91Å; L1216-D1262 HydrophobicContact CD2-CB 4.11Å; L1216-D1262 PolarHBondContact N-O 2.98Å; I1260-D1262 VanDerWaalsContact CG2-O 3.23Å; I1260-D1262 WeakPolarHBondContact CG2-O 3.36Å |
| 1263 | I | 89.3 | Confident | 80.4 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 130.3 | 178 | -179.1 | 163.4 | 0 | 0 | 0 | 111.2 | L1159 L1193 I1213 L1214 L1215 L1265 L1275 | L1159-I1263 HydrophobicContact CB-CG2 4.11Å; L1159-I1263 HydrophobicContact CD2-CG2 4.1Å; L1159-I1263 PolarHBondContact N-O 2.8Å; L1193-I1263 HydrophobicContact CD1-CD1 4.33Å; L1193-I1263 HydrophobicContact CD2-CD1 4.15Å; I1213-I1263 HydrophobicContact CG2-CD1 4.07Å; I1213-I1263 HydrophobicContact CG2-CG1 4.26Å; L1214-I1263 WeakPolarHBondContact O-CA 3.35Å; L1215-I1263 HydrophobicContact CD2-CB 3.96Å; L1215-I1263 HydrophobicContact CD2-CD1 3.65Å; L1215-I1263 HydrophobicContact CD2-CG1 3.71Å; I1263-L1265 HydrophobicContact CD1-CD2 3.84Å; I1263-L1265 HydrophobicContact CG1-CD2 3.84Å; I1263-L1265 HydrophobicContact CG1-CG 4.27Å; I1263-L1275 HydrophobicContact CD1-CD1 4.13Å; I1263-L1275 HydrophobicContact CG2-CD1 4.48Å; I1263-L1275 HydrophobicContact CG2-CD2 3.82Å |
| 1264 | N | 86.2 | Confident | 80.3 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.3 | 173.6 | -153.8 | -74.1 | 0 | 0 | 0 | 108.4 | R1156 F1157 W1158 L1214 | R1156-N1264 VanDerWaalsContact C-ND2 3.31Å; R1156-N1264 WeakPolarHBondContact CA-OD1 3.45Å; R1156-N1264 PolarHBondContact O-ND2 2.9Å; F1157-N1264 PolarHBondContact O-ND2 3.42Å; F1157-N1264 PolarHBondContact O-OD1 2.85Å; W1158-N1264 HydrophobicContact CD2-CB 3.96Å; W1158-N1264 HydrophobicContact CE3-CB 3.7Å; W1158-N1264 HydrophobicContact CH2-CB 4.13Å; W1158-N1264 HydrophobicContact CZ2-CB 4.36Å; W1158-N1264 HydrophobicContact CZ3-CB 3.79Å; W1158-N1264 PolarHBondContact N-ND2 2.8Å; L1214-N1264 HydrophobicContact CB-CB 3.92Å; L1214-N1264 HydrophobicContact CD1-CB 4.21Å; L1214-N1264 HydrophobicContact CG-CB 4.34Å; L1214-N1264 PolarHBondContact N-O 3.29Å; L1214-N1264 PolarHBondContact O-N 3.02Å |
| 1265 | L | 78.3 | Confident | 80.2 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 100.7 | 176.7 | -61.2 | -174.8 | 0 | 0 | 0 | 109.3 | M1146 L1193 I1213 I1263 L1268 | M1146-L1265 HydrophobicContact CE-CD1 3.7Å; M1146-L1265 HydrophobicContact CE-CG 4.38Å; M1146-L1265 HydrophobicContact SD-CD1 3.77Å; L1193-L1265 HydrophobicContact CD1-CD1 4.3Å; L1193-L1265 HydrophobicContact CD1-CD2 3.65Å; L1193-L1265 HydrophobicContact CD2-CD1 4.07Å; I1213-L1265 HydrophobicContact CG1-CD2 4.01Å; I1213-L1265 HydrophobicContact CG2-CD2 4.48Å; I1263-L1265 HydrophobicContact CD1-CD2 3.84Å; I1263-L1265 HydrophobicContact CG1-CD2 3.84Å; I1263-L1265 HydrophobicContact CG1-CG 4.27Å; L1265-L1268 HydrophobicContact CB-CD1 4.12Å; L1265-L1268 HydrophobicContact CB-CD2 3.77Å; L1265-L1268 HydrophobicContact CB-CG 3.83Å; L1265-L1268 HydrophobicContact CD1-CD2 3.92Å; L1265-L1268 WeakPolarHBondContact O-CG 3.5Å |
| 1266 | I | 67.2 | Low | 80.1 | Confident | 30 Ų | 30 | 36.3 Ų | 36.3 | 15% | 0.154 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 145.8 | -179.5 | -45.3 | 168 | 0 | 0 | 0 | 108.8 | R1156 N1212 L1214 L1268 | R1156-I1266 HydrophobicContact CG-CG1 4.31Å; R1156-I1266 HydrophobicContact CG-CG2 4.42Å; N1212-I1266 HydrophobicContact CB-CB 3.99Å; N1212-I1266 WeakPolarHBondContact CB-O 3.18Å; N1212-I1266 PolarHBondContact O-N 3.29Å; L1214-I1266 HydrophobicContact CD1-CD1 4.04Å; L1214-I1266 HydrophobicContact CD2-CD1 4.47Å; L1214-I1266 HydrophobicContact CG-CD1 4.07Å; I1266-L1268 PolarHBondContact O-N 3.34Å |
| 1267 | H | 59.2 | Low | 80 | Confident | 122 Ų | 122 | 34.4 Ų | 34.4 | 57% | 0.565 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 44.2 | 180 | -59.2 | 108.7 | 0 | 0 | 0 | 114.7 | N1212 N1269 | N1212-H1267 PolarHBondContact OD1-ND1 3.03Å; N1212-H1267 VanDerWaalsContact OD1-ND1 3.07Å; H1267-N1269 PolarHBondContact O-N 3.44Å |
| 1268 | L | 55.4 | Low | 80.1 | Confident | 25 Ų | 25 | 33.4 Ų | 33.4 | 13% | 0.131 | 18% | 0.177 | C | C | . | . | trans | -56.1 | 110 | 164.8 | -75.5 | 171.5 | 0 | 0 | 0 | 110.6 | I1149 P1151 M1162 L1265 I1266 Y1273 | I1149-L1268 HydrophobicContact CG2-CD1 4.29Å; P1151-L1268 HydrophobicContact CB-CB 4.18Å; P1151-L1268 VanDerWaalsContact CB-O 3.31Å; P1151-L1268 WeakPolarHBondContact CB-O 3.44Å; P1151-L1268 WeakPolarHBondContact CG-O 3.44Å; M1162-L1268 HydrophobicContact CE-CD1 4.48Å; M1162-L1268 HydrophobicContact SD-CD1 4.09Å; L1265-L1268 HydrophobicContact CB-CD1 4.12Å; L1265-L1268 HydrophobicContact CB-CD2 3.77Å; L1265-L1268 HydrophobicContact CB-CG 3.83Å; L1265-L1268 HydrophobicContact CD1-CD2 3.92Å; L1265-L1268 WeakPolarHBondContact O-CG 3.5Å; I1266-L1268 PolarHBondContact O-N 3.34Å; L1268-Y1273 HydrophobicContact CD2-CD2 3.58Å; L1268-Y1273 HydrophobicContact CD2-CE2 3.35Å; L1268-Y1273 HydrophobicContact CD2-CG 4.42Å | ||
| 1269 | N | 55.9 | Low | 80.1 | Confident | 92 Ų | 92 | 35.5 Ų | 35.5 | 49% | 0.492 | 19% | 0.188 | S | C | . | . | trans | -72.5 | 167.9 | 160.4 | -77.2 | -24.3 | 0 | 0 | 0 | 109.6 | I1201 H1267 I1271 | I1201-N1269 HydrophobicContact CD1-CB 4.48Å; H1267-N1269 PolarHBondContact O-N 3.44Å; N1269-I1271 HydrophobicContact CB-CD1 3.78Å; N1269-I1271 HydrophobicContact CB-CG1 4.13Å; N1269-I1271 PolarHBondContact O-N 3.17Å | ||
| 1270 | T | 52.5 | Low | 80.1 | Confident | 132 Ų | 132 | 35.3 Ų | 35.3 | 81% | 0.81 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -73.1 | 68.7 | 178.4 | 52.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1271 | I | 61.6 | Low | 80.2 | Confident | 20 Ų | 20 | 35.5 Ų | 35.5 | 10% | 0.103 | 19% | 0.188 | C | C | . | . | trans | -129.1 | 143.1 | -175.6 | -61.6 | 165.9 | 0 | 0 | 0 | 107.3 | S1196 L1198 I1201 N1269 Y1273 | S1196-I1271 VanDerWaalsContact O-CG2 3.29Å; S1196-I1271 WeakPolarHBondContact O-CG2 3.19Å; L1198-I1271 HydrophobicContact CD2-CD1 3.62Å; L1198-I1271 HydrophobicContact CD2-CG1 4.47Å; L1198-I1271 HydrophobicContact CG-CD1 3.91Å; L1198-I1271 HydrophobicContact CG-CG2 4.4Å; I1201-I1271 HydrophobicContact CD1-CD1 4.33Å; N1269-I1271 HydrophobicContact CB-CD1 3.78Å; N1269-I1271 HydrophobicContact CB-CG1 4.13Å; N1269-I1271 PolarHBondContact O-N 3.17Å; I1271-Y1273 HydrophobicContact CB-CD2 4.41Å; I1271-Y1273 HydrophobicContact CB-CE2 3.72Å; I1271-Y1273 HydrophobicContact CG2-CE1 4.46Å; I1271-Y1273 HydrophobicContact CG2-CE2 4.07Å; I1271-Y1273 WeakPolarHBondContact O-CD2 3.03Å; I1271-Y1273 WeakPolarHBondContact O-CE2 3.32Å; I1271-Y1273 PolarHBondContact O-N 3.43Å | ||
| 1272 | N | 71.6 | Confident | 80.4 | Confident | 72 Ų | 72 | 32.6 Ų | 32.6 | 39% | 0.385 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 113.3 | 177.4 | -72.2 | -46.6 | 0 | 0 | 0 | 110.2 | N1147 S1196 | N1147-N1272 WeakPolarHBondContact CA-OD1 3.48Å; N1147-N1272 WeakPolarHBondContact CB-OD1 3.4Å; S1196-N1272 PolarHBondContact N-O 2.79Å; S1196-N1272 PolarHBondContact O-N 3.23Å; S1196-N1272 PolarHBondContact OG-O 3.21Å |
| 1273 | Y | 77.8 | Confident | 80.4 | Confident | 15 Ų | 15 | 32.6 Ų | 32.6 | 6% | 0.059 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 133.7 | 176.2 | -61.6 | -90.6 | 0 | 0 | 0 | 110.9 | M1146 S1194 C1195 L1209 L1268 I1271 | M1146-Y1273 WeakPolarHBondContact CB-O 3.39Å; M1146-Y1273 PolarHBondContact N-O 2.82Å; S1194-Y1273 VanDerWaalsContact O-CA 3.27Å; S1194-Y1273 WeakPolarHBondContact O-CA 3.27Å; C1195-Y1273 HydrophobicContact CB-CD1 3.9Å; C1195-Y1273 HydrophobicContact CB-CE1 3.78Å; L1209-Y1273 HydrophobicContact CD1-CE1 4.27Å; L1209-Y1273 HydrophobicContact CD2-CD1 4.39Å; L1209-Y1273 HydrophobicContact CD2-CE1 3.81Å; L1268-Y1273 HydrophobicContact CD2-CD2 3.58Å; L1268-Y1273 HydrophobicContact CD2-CE2 3.35Å; L1268-Y1273 HydrophobicContact CD2-CG 4.42Å; I1271-Y1273 HydrophobicContact CB-CD2 4.41Å; I1271-Y1273 HydrophobicContact CB-CE2 3.72Å; I1271-Y1273 HydrophobicContact CG2-CE1 4.46Å; I1271-Y1273 HydrophobicContact CG2-CE2 4.07Å; I1271-Y1273 WeakPolarHBondContact O-CD2 3.03Å; I1271-Y1273 WeakPolarHBondContact O-CE2 3.32Å; I1271-Y1273 PolarHBondContact O-N 3.43Å |
| 1274 | E | 86.1 | Confident | 80.1 | Confident | 41 Ų | 41 | 35.2 Ų | 35.2 | 19% | 0.192 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 118.2 | 165.4 | -174 | -168.2 | -136.6 | 0 | 0 | 108.5 | K1143 I1144 S1194 I1276 | K1143-E1274 WeakPolarHBondContact CD-OE1 3.09Å; K1143-E1274 IonicContact NZ-OE1 2.75Å; K1143-E1274 PolarHBondContact NZ-OE1 3.24Å; K1143-E1274 IonicContact NZ-OE2 2.67Å; K1143-E1274 PolarHBondContact NZ-OE2 3.32Å; I1144-E1274 CarbonylContact O-C 3.56Å; I1144-E1274 WeakPolarHBondContact O-CA 3.35Å; S1194-E1274 PolarHBondContact N-O 3.01Å; S1194-E1274 PolarHBondContact O-N 3.31Å; E1274-I1276 HydrophobicContact CG-CG1 4.3Å |
| 1275 | L | 88.4 | Confident | 79 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 122.8 | 170.7 | 174.1 | 67.2 | 0 | 0 | 0 | 108.9 | K1143 I1144 L1159 L1168 I1191 L1193 I1263 L1277 | K1143-L1275 CarbonylContact C-O 3.59Å; K1143-L1275 WeakPolarHBondContact CA-O 3.09Å; I1144-L1275 HydrophobicContact CB-CB 4.29Å; I1144-L1275 HydrophobicContact CD1-CD2 4.2Å; I1144-L1275 PolarHBondContact N-O 3.36Å; I1144-L1275 PolarHBondContact O-N 2.88Å; L1159-L1275 HydrophobicContact CD2-CD2 3.68Å; L1168-L1275 HydrophobicContact CD1-CD2 4.47Å; I1191-L1275 HydrophobicContact CG2-CD1 3.5Å; L1193-L1275 HydrophobicContact CD2-CB 4.31Å; L1193-L1275 HydrophobicContact CD2-CD1 3.83Å; I1263-L1275 HydrophobicContact CD1-CD1 4.13Å; I1263-L1275 HydrophobicContact CG2-CD1 4.48Å; I1263-L1275 HydrophobicContact CG2-CD2 3.82Å; L1275-L1277 HydrophobicContact CD1-CD2 4.05Å; L1275-L1277 HydrophobicContact CD2-CD2 4.13Å; L1275-L1277 HydrophobicContact CD2-CG 4.39Å; L1275-L1277 HydrophobicContact CG-CD2 4.04Å; L1275-L1277 HydrophobicContact CG-CG 4.24Å |
| 1276 | I | 92.5 | Very high | 77.8 | Confident | 42 Ų | 42 | 47.5 Ų | 47.5 | 22% | 0.215 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 112.9 | 177.6 | -52.2 | 179 | 0 | 0 | 0 | 107.8 | A1142 K1143 S1192 Y1246 E1274 | A1142-I1276 WeakPolarHBondContact O-CA 2.98Å; K1143-I1276 HydrophobicContact CG-CG1 4.33Å; S1192-I1276 PolarHBondContact N-O 3.14Å; S1192-I1276 WeakPolarHBondContact O-CB 3.3Å; S1192-I1276 PolarHBondContact O-N 3.39Å; Y1246-I1276 HydrophobicContact CD1-CD1 4.45Å; Y1246-I1276 HydrophobicContact CE1-CD1 3.84Å; E1274-I1276 HydrophobicContact CG-CG1 4.3Å |
| 1277 | L | 93.4 | Very high | 76.5 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 122.3 | 179.8 | -63.4 | 177.6 | 0 | 0 | 0 | 109.8 | P1139 A1142 I1144 L1168 I1191 L1275 | P1139-L1277 HydrophobicContact CB-CB 4.06Å; P1139-L1277 HydrophobicContact CB-CD1 4.28Å; P1139-L1277 HydrophobicContact CG-CB 3.82Å; A1142-L1277 PolarHBondContact O-N 3.49Å; I1144-L1277 HydrophobicContact CD1-CD1 4.23Å; L1168-L1277 HydrophobicContact CB-CD1 4.35Å; L1168-L1277 HydrophobicContact CD1-CD1 3.88Å; L1168-L1277 HydrophobicContact CD1-CD2 4.02Å; L1168-L1277 HydrophobicContact CD2-CD1 3.78Å; L1168-L1277 HydrophobicContact CG-CD1 4.21Å; I1191-L1277 HydrophobicContact CD1-CD2 3.93Å; I1191-L1277 HydrophobicContact CG1-CD2 3.96Å; I1191-L1277 HydrophobicContact CG2-CD2 4.1Å; L1275-L1277 HydrophobicContact CD1-CD2 4.05Å; L1275-L1277 HydrophobicContact CD2-CD2 4.13Å; L1275-L1277 HydrophobicContact CD2-CG 4.39Å; L1275-L1277 HydrophobicContact CG-CD2 4.04Å; L1275-L1277 HydrophobicContact CG-CG 4.24Å |
| 1278 | G | 94.3 | Very high | 75.3 | Confident | 23 Ų | 23 | 51.1 Ų | 51.1 | 24% | 0.237 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 159.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1189 R1190 | Q1189-G1278 PolarHBondContact NE2-O 2.9Å; R1190-G1278 VanDerWaalsContact O-CA 3.25Å; R1190-G1278 WeakPolarHBondContact O-CA 3.45Å; R1190-G1278 PolarHBondContact O-N 3.06Å |
| 1279 | D | 95.9 | Very high | 74.6 | Confident | 45 Ų | 45 | 53.6 Ų | 53.6 | 24% | 0.241 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -50 | 142.1 | 175.2 | -56.7 | 11.6 | 0 | 0 | 0 | 112.1 | C1136 I1137 | C1136-D1279 HydrophobicContact CB-CB 4.07Å; I1137-D1279 VanDerWaalsContact O-CA 3.28Å; I1137-D1279 WeakPolarHBondContact O-CA 3.2Å |
| 1280 | V | 96.9 | Very high | 73.7 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 119.1 | 168.2 | 60.2 | 0 | 0 | 0 | 0 | 108.9 | C1136 I1137 Y1170 Q1189 L1258 P1259 Y1282 | C1136-V1280 CarbonylContact C-O 3.56Å; C1136-V1280 WeakPolarHBondContact CA-O 3.31Å; I1137-V1280 HydrophobicContact CB-CG1 3.96Å; I1137-V1280 PolarHBondContact N-O 3.4Å; I1137-V1280 PolarHBondContact O-N 2.99Å; Y1170-V1280 HydrophobicContact CD1-CG1 4.06Å; Y1170-V1280 HydrophobicContact CE1-CG1 4.34Å; Q1189-V1280 HydrophobicContact CB-CB 4.4Å; Q1189-V1280 HydrophobicContact CB-CG2 4.38Å; Q1189-V1280 HydrophobicContact CG-CB 4.25Å; L1258-V1280 HydrophobicContact CB-CG2 3.9Å; P1259-V1280 HydrophobicContact CB-CB 4.25Å; P1259-V1280 HydrophobicContact CB-CG1 4.11Å; P1259-V1280 HydrophobicContact CB-CG2 4.28Å; V1280-Y1282 HydrophobicContact CB-CE2 4.33Å; V1280-Y1282 HydrophobicContact CG1-CE2 3.94Å; V1280-Y1282 HydrophobicContact CG2-CD2 4.4Å; V1280-Y1282 HydrophobicContact CG2-CE2 3.59Å |
| 1281 | C | 97.1 | Very high | 72.8 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.6 | -173.1 | -63.9 | 0 | 0 | 0 | 0 | 111.5 | E1134 T1135 C1136 A1187 V1188 | E1134-C1281 HydrophobicContact CB-CB 4.28Å; E1134-C1281 HydrophobicContact CG-CB 4.4Å; T1135-C1281 WeakPolarHBondContact O-CA 3.33Å; C1136-C1281 HydrophobicContact CB-CB 4.16Å; C1136-C1281 WeakPolarHBondContact CB-SG 3.29Å; C1136-C1281 WeakPolarHBondContact SG-CB 3.35Å; C1136-C1281 CovalentContact SG-SG 2.05Å; C1136-C1281 PolarHBondContact SG-SG 2.73Å; A1187-C1281 CarbonylContact C-O 3.57Å; A1187-C1281 VanDerWaalsContact CA-O 3.3Å; A1187-C1281 WeakPolarHBondContact CA-O 3.22Å; V1188-C1281 PolarHBondContact N-O 3.36Å; V1188-C1281 PolarHBondContact O-N 3.44Å |
| 1282 | Y | 96.3 | Very high | 71.5 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 136 | -179.3 | -66 | -89 | 0 | 0 | 0 | 111.3 | E1134 T1135 I1137 L1177 L1180 K1181 A1187 P1255 L1258 P1259 V1280 | E1134-Y1282 CarbonylContact C-O 3.45Å; E1134-Y1282 WeakPolarHBondContact CA-O 3.4Å; T1135-Y1282 PolarHBondContact N-O 3.42Å; T1135-Y1282 PolarHBondContact O-N 3.37Å; I1137-Y1282 HydrophobicContact CD1-CD2 4.18Å; I1137-Y1282 HydrophobicContact CD1-CE2 3.96Å; L1177-Y1282 HydrophobicContact CD1-CE2 4.01Å; L1177-Y1282 WeakPolarHBondContact CD1-OH 3.35Å; L1180-Y1282 HydrophobicContact CD2-CD2 3.45Å; L1180-Y1282 VanDerWaalsContact CD2-CD2 3.45Å; L1180-Y1282 HydrophobicContact CD2-CE2 4.05Å; L1180-Y1282 HydrophobicContact CD2-CG 3.88Å; L1180-Y1282 HydrophobicContact CG-CD2 4.03Å; L1180-Y1282 HydrophobicContact CG-CG 3.94Å; K1181-Y1282 HydrophobicContact CG-CE1 3.76Å; A1187-Y1282 HydrophobicContact CB-CD1 3.59Å; A1187-Y1282 HydrophobicContact CB-CE1 3.57Å; A1187-Y1282 HydrophobicContact CB-CG 4.36Å; P1255-Y1282 HydrophobicContact CB-CD1 4.14Å; P1255-Y1282 HydrophobicContact CB-CE1 4.05Å; L1258-Y1282 VanDerWaalsContact C-OH 3.24Å; L1258-Y1282 PolarHBondContact O-OH 3.25Å; P1259-Y1282 WeakPolarHBondContact CD-OH 3.47Å; V1280-Y1282 HydrophobicContact CB-CE2 4.33Å; V1280-Y1282 HydrophobicContact CG1-CE2 3.94Å; V1280-Y1282 HydrophobicContact CG2-CD2 4.4Å; V1280-Y1282 HydrophobicContact CG2-CE2 3.59Å |
| 1283 | T | 92.3 | Very high | 69.5 | Low | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 153.7 | 178.9 | -174.1 | 0 | 0 | 0 | 0 | 113.4 | T1132 E1134 D1185 M1186 Y1285 F1289 | T1132-T1283 PolarHBondContact O-OG1 3.47Å; T1132-T1283 VanDerWaalsContact O-OG1 3.09Å; E1134-T1283 HydrophobicContact CG-CG2 4.2Å; D1185-T1283 PolarHBondContact N-O 3.22Å; M1186-T1283 PolarHBondContact N-O 3.33Å; M1186-T1283 VanDerWaalsContact N-O 3.11Å; M1186-T1283 PolarHBondContact O-N 2.98Å; T1283-Y1285 PolarHBondContact OG1-N 3.44Å; T1283-F1289 HydrophobicContact CG2-CE2 3.76Å; T1283-F1289 HydrophobicContact CG2-CZ 3.99Å |
| 1284 | T | 82.4 | Confident | 67.2 | Low | 57 Ų | 57 | 66.6 Ų | 66.6 | 35% | 0.35 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -94.7 | 1.5 | 169.3 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | S1183 D1185 | S1183-T1284 WeakPolarHBondContact O-CG2 3.36Å; D1185-T1284 VanDerWaalsContact OD2-CA 3.26Å; D1185-T1284 WeakPolarHBondContact OD2-CA 3.44Å |
| 1285 | Y | 64.4 | Low | 64.4 | Low | 132 Ų | 132 | 68.9 Ų | 68.9 | 52% | 0.518 | 36% | 0.361 | S | S | . | . | trans | -101.5 | 96.9 | -174 | -158.2 | -113.3 | 0 | 0 | 0 | 112.6 | T1283 G1287 | T1283-Y1285 PolarHBondContact OG1-N 3.44Å; Y1285-G1287 WeakPolarHBondContact CE1-O 3.45Å; Y1285-G1287 PolarHBondContact O-N 3.31Å; Y1285-G1287 VanDerWaalsContact O-N 3.13Å | ||
| 1286 | L | 52.5 | Low | 61.6 | Low | 132 Ų | 132 | 78.1 Ų | 78.1 | 69% | 0.691 | 40% | 0.401 | S | S | * | . | trans | -65.5 | -6.6 | 171.8 | -69.2 | 170.7 | 0 | 0 | 0 | 113.9 | D1185 K1288 | D1185-L1286 HydrophobicContact CB-CD2 4.42Å; D1185-L1286 HydrophobicContact CB-CG 4.45Å; L1286-K1288 PolarHBondContact O-N 3.29Å | ||
| 1287 | G | 39.7 | Very low | 58.3 | Low | 38 Ų | 38 | 83.7 Ų | 83.7 | 39% | 0.392 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -74.7 | 83.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y1285 | Y1285-G1287 WeakPolarHBondContact CE1-O 3.45Å; Y1285-G1287 PolarHBondContact O-N 3.31Å; Y1285-G1287 VanDerWaalsContact O-N 3.13Å |
| 1288 | K | 33.6 | Very low | 55.3 | Low | 191 Ų | 191 | 94.4 Ų | 94.4 | 83% | 0.83 | 49% | 0.489 | S | S | * | . | trans | 40.9 | 97.5 | 168.8 | -69.9 | -175.8 | 179.9 | 177.5 | 0 | 114.7 | L1286 V1290 | L1286-K1288 PolarHBondContact O-N 3.29Å; K1288-V1290 PolarHBondContact O-N 2.86Å | ||
| 1289 | F | 41.8 | Very low | 53.3 | Low | 76 Ų | 76 | 98 Ų | 98 | 33% | 0.333 | 50% | 0.501 | S | S | . | . | trans | -49.2 | 109.7 | 162.6 | -98.2 | -107.6 | 0 | 0 | 0 | 110.6 | E1134 M1186 V1188 T1283 S1291 | E1134-F1289 HydrophobicContact CG-CZ 4.21Å; M1186-F1289 HydrophobicContact CE-CD2 3.38Å; M1186-F1289 HydrophobicContact CE-CE2 3.26Å; M1186-F1289 HydrophobicContact CE-CG 4.45Å; M1186-F1289 HydrophobicContact CE-CZ 4.27Å; V1188-F1289 HydrophobicContact CB-CE1 4.11Å; V1188-F1289 HydrophobicContact CB-CZ 4.28Å; V1188-F1289 HydrophobicContact CG1-CE1 4.33Å; V1188-F1289 HydrophobicContact CG2-CD1 4.28Å; V1188-F1289 HydrophobicContact CG2-CE1 3.6Å; V1188-F1289 HydrophobicContact CG2-CE2 4.11Å; V1188-F1289 HydrophobicContact CG2-CZ 3.51Å; T1283-F1289 HydrophobicContact CG2-CE2 3.76Å; T1283-F1289 HydrophobicContact CG2-CZ 3.99Å; F1289-S1291 PolarHBondContact O-N 3.23Å | ||
| 1290 | V | 36.7 | Very low | 51.1 | Low | 112 Ų | 112 | 100.8 Ų | 100.8 | 68% | 0.679 | 52% | 0.515 | S | S | * | . | trans | -67.9 | 105.2 | 165 | 177.1 | 0 | 0 | 0 | 0 | 105.3 | K1288 L1292 | K1288-V1290 PolarHBondContact O-N 2.86Å; V1290-L1292 PolarHBondContact O-N 3.43Å | ||
| 1291 | S | 33 | Very low | 48.5 | Very low | 66 Ų | 66 | 106.3 Ų | 106.3 | 46% | 0.462 | 54% | 0.543 | S | S | . | . | trans | -43.2 | 136.2 | 174.6 | 171.1 | 0 | 0 | 0 | 0 | 110.1 | F1289 K1293 | F1289-S1291 PolarHBondContact O-N 3.23Å; S1291-K1293 PolarHBondContact O-N 3.36Å | ||
| 1292 | L | 35.8 | Very low | 45.7 | Very low | 86 Ų | 86 | 112.4 Ų | 112.4 | 45% | 0.45 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -69.5 | 42.2 | -174 | -83.7 | 158.8 | 0 | 0 | 0 | 114 | V1290 H1294 | V1290-L1292 PolarHBondContact O-N 3.43Å; L1292-H1294 PolarHBondContact O-N 2.95Å |
| 1293 | K | 29.7 | Very low | 42.5 | Very low | 165 Ų | 165 | 119.4 Ų | 119.4 | 72% | 0.717 | 61% | 0.61 | S | S | * | * | trans | -75.1 | 0.8 | 169.2 | -69.9 | -174 | 173.4 | -173.5 | 0 | 113.8 | S1291 | S1291-K1293 PolarHBondContact O-N 3.36Š| ||
| 1294 | H | 27.7 | Very low | 39.2 | Very low | 176 Ų | 176 | 127.1 Ų | 127.1 | 82% | 0.815 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -103.2 | 42.7 | 170.2 | -80.3 | -61.6 | 0 | 0 | 0 | 112.5 | L1292 | L1292-H1294 PolarHBondContact O-N 2.95Š|
| 1295 | T | 29.1 | Very low | 36.1 | Very low | 89 Ų | 89 | 132.1 Ų | 132.1 | 55% | 0.546 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -145.2 | 139.6 | 150.7 | -33.7 | 0 | 0 | 0 | 0 | 106.9 | ||
| 1296 | F | 27.6 | Very low | 33.9 | Very low | 194 Ų | 194 | 132.2 Ų | 132.2 | 85% | 0.851 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 62.5 | 71.9 | -169.4 | -57 | -79.2 | 0 | 0 | 0 | 115.3 | ||
| 1297 | N | 24.6 | Very low | 32.4 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 85% | 0.845 | 68% | 0.681 | S | S | * | * | trans | -146.4 | 62.4 | 149.8 | -145.1 | 18.6 | 0 | 0 | 0 | 109.9 | ||||
| 1298 | N | 29 | Very low | 31.7 | Very low | 235 Ų | 235 | 140.7 Ų | 140.7 | 100% | 1.257 | 71% | 0.708 | S | S | * | * | trans | -156.2 | 0 | 169.3 | -108.7 | -0.9 | 0 | 0 | 0 | 106.8 |
Retrieved 1,298 of 1,298 residues in 717.1 ms
(Link to these results)