| 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 | 35.7 | Very low | 56.5 | Low | 231 Ų | 231 | 137.5 Ų | 137.5 | 100% | 1.138 | 69% | 0.693 | S | S | * | * | 0 | 133.1 | 0 | -68.4 | 175.4 | 176.1 | 0 | 0 | 107.3 | |||||
| 2 | N | 36.4 | Very low | 59.2 | Low | 152 Ų | 152 | 131 Ų | 131 | 81% | 0.813 | 67% | 0.665 | S | S | * | * | trans | -76.9 | 136.8 | -176.2 | -63 | 1.5 | 0 | 0 | 0 | 110.2 | ||||
| 3 | I | 45.9 | Very low | 61.7 | Low | 152 Ų | 152 | 124.8 Ų | 124.8 | 78% | 0.779 | 64% | 0.639 | S | S | * | * | trans | -97 | -7.9 | -173.7 | -70.1 | 174.1 | 0 | 0 | 0 | 111.7 | N5 | I3-N5 PolarHBondContact O-N 2.98Š| ||
| 4 | D | 48.1 | Very low | 63.7 | Low | 139 Ų | 139 | 120 Ų | 120 | 74% | 0.743 | 62% | 0.615 | S | S | * | * | trans | -85.9 | -4.5 | -166.3 | -52.9 | -68.8 | 0 | 0 | 0 | 115.7 | R6 | D4-R6 PolarHBondContact O-N 3.32Š| ||
| 5 | N | 46.6 | Very low | 65.4 | Low | 151 Ų | 151 | 116.2 Ų | 116.2 | 81% | 0.807 | 59% | 0.591 | S | S | * | * | trans | -77.2 | 53.1 | 173.3 | -83.3 | 6.8 | 0 | 0 | 0 | 112.4 | I3 S7 | I3-N5 PolarHBondContact O-N 2.98Å; N5-S7 PolarHBondContact O-N 3.33Å | ||
| 6 | R | 51.5 | Low | 67 | Low | 168 Ų | 168 | 112.3 Ų | 112.3 | 63% | 0.634 | 59% | 0.588 | S | S | * | * | trans | -71.2 | 85.9 | 157.6 | -82.5 | -165.9 | 177.9 | -141.2 | -0.7 | 108.5 | D4 Y8 | D4-R6 PolarHBondContact O-N 3.32Å; R6-Y8 VanDerWaalsContact C-N 3.32Å; R6-Y8 HydrophobicContact CB-CE2 4.47Å; R6-Y8 WeakPolarHBondContact O-CD2 3.31Å; R6-Y8 WeakPolarHBondContact O-CE2 3.49Å; R6-Y8 PolarHBondContact O-N 3.39Å | ||
| 7 | S | 55.8 | Low | 68.5 | Low | 107 Ų | 107 | 112.1 Ų | 112.1 | 75% | 0.748 | 59% | 0.587 | S | S | * | * | trans | -62.7 | 92.5 | 167.1 | -61.4 | 0 | 0 | 0 | 0 | 109.5 | N5 V9 | N5-S7 PolarHBondContact O-N 3.33Å; S7-V9 PolarHBondContact O-N 3.47Å | ||
| 8 | Y | 61 | Low | 69.9 | Low | 191 Ų | 191 | 112.2 Ų | 112.2 | 75% | 0.749 | 59% | 0.594 | S | S | * | * | trans | -57.8 | 124.3 | 172.6 | -62.9 | -86.2 | 0 | 0 | 0 | 109.1 | R6 T10 | R6-Y8 VanDerWaalsContact C-N 3.32Å; R6-Y8 HydrophobicContact CB-CE2 4.47Å; R6-Y8 WeakPolarHBondContact O-CD2 3.31Å; R6-Y8 WeakPolarHBondContact O-CE2 3.49Å; R6-Y8 PolarHBondContact O-N 3.39Å; Y8-T10 PolarHBondContact O-N 3.3Å; Y8-T10 VanDerWaalsContact O-N 3.1Å | ||
| 9 | V | 70.9 | Confident | 71.1 | Confident | 44 Ų | 44 | 110.8 Ų | 110.8 | 27% | 0.267 | 58% | 0.583 | S | S | . | * | trans | -64.5 | 113.8 | 175.6 | -173 | 0 | 0 | 0 | 0 | 107.9 | S7 K85 W87 | S7-V9 PolarHBondContact O-N 3.47Å; V9-K85 HydrophobicContact CG1-CB 4.06Å; V9-W87 HydrophobicContact CB-CB 4.49Å; V9-W87 HydrophobicContact CG1-CB 4.01Å; V9-W87 WeakPolarHBondContact O-CB 3.47Å | ||
| 10 | T | 81.6 | Confident | 72.3 | Confident | 94 Ų | 94 | 106.2 Ų | 106.2 | 58% | 0.577 | 56% | 0.559 | S | S | * | * | trans | -97 | 165.2 | 177.2 | 51.2 | 0 | 0 | 0 | 0 | 110.9 | Y8 V12 | Y8-T10 PolarHBondContact O-N 3.3Å; Y8-T10 VanDerWaalsContact O-N 3.1Å; T10-V12 PolarHBondContact O-N 3.34Å | ||
| 11 | F | 88.3 | Confident | 73.4 | Confident | 84 Ų | 84 | 108 Ų | 108 | 37% | 0.368 | 56% | 0.559 | S | S | . | * | trans | -64.6 | 118.3 | 168.7 | 176.1 | -101.6 | 0 | 0 | 0 | 110.4 | P13 L20 V82 W87 | F11-P13 HydrophobicContact CE1-CB 4.03Å; F11-P13 HydrophobicContact CE1-CG 4.46Å; F11-P13 HydrophobicContact CZ-CB 4.02Å; F11-L20 HydrophobicContact CZ-CD1 4.49Å; F11-V82 HydrophobicContact CE2-CG2 4.18Å; F11-V82 HydrophobicContact CZ-CG2 4.36Å; F11-W87 HydrophobicContact CB-CD2 4.01Å; F11-W87 HydrophobicContact CB-CG 4.24Å; F11-W87 HydrophobicContact CB-CZ2 4.23Å; F11-W87 AromaticContact CD2-NE1 3.56Å | ||
| 12 | V | 88.9 | Confident | 76.3 | Confident | 59 Ų | 59 | 101.6 Ų | 101.6 | 36% | 0.358 | 53% | 0.528 | S | S | . | . | trans | -117.4 | 126.4 | 167.5 | -177.7 | 0 | 0 | 0 | 0 | 107.4 | T10 L14 S83 E84 | T10-V12 PolarHBondContact O-N 3.34Å; V12-L14 PolarHBondContact O-N 3.48Å; V12-S83 CarbonylContact O-C 3.54Å; V12-S83 WeakPolarHBondContact O-CA 3.37Å; V12-E84 HydrophobicContact CB-CB 4.27Å; V12-E84 HydrophobicContact CG1-CB 4.36Å; V12-E84 WeakPolarHBondContact CG1-OE2 3.32Å; V12-E84 PolarHBondContact O-N 3.31Å | ||
| 13 | P | 91.1 | Very high | 79 | Confident | 51 Ų | 51 | 95.3 Ų | 95.3 | 33% | 0.331 | 50% | 0.496 | S | S | . | . | B | Isolated β-bridge | trans | -73.5 | 126.9 | 178.9 | 29.5 | -33.4 | 0 | 0 | 0 | 110.7 | F11 Y15 L20 V82 | F11-P13 HydrophobicContact CE1-CB 4.03Å; F11-P13 HydrophobicContact CE1-CG 4.46Å; F11-P13 HydrophobicContact CZ-CB 4.02Å; P13-Y15 PolarHBondContact O-N 3.1Å; P13-L20 HydrophobicContact CB-CD1 4.02Å; P13-L20 HydrophobicContact CB-CD2 3.97Å; P13-V82 WeakPolarHBondContact CA-O 3.34Å |
| 14 | L | 89.3 | Confident | 81.4 | Confident | 57 Ų | 57 | 91 Ų | 91 | 30% | 0.298 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -60.8 | -29.1 | 178 | 177.6 | 65.8 | 0 | 0 | 0 | 112.9 | V12 V82 E84 | V12-L14 PolarHBondContact O-N 3.48Å; L14-V82 PolarHBondContact N-O 3.48Å; L14-E84 HydrophobicContact CD1-CG 4.42Å |
| 15 | Y | 89.4 | Confident | 83.7 | Confident | 63 Ų | 63 | 89.5 Ų | 89.5 | 25% | 0.247 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -123.2 | 153.4 | -173.4 | -52.4 | -69 | 0 | 0 | 0 | 111.8 | P13 H19 | P13-Y15 PolarHBondContact O-N 3.1Å; Y15-H19 AromaticContact CD1-CE1 3.87Å; Y15-H19 AromaticContact CD1-ND1 3.61Å; Y15-H19 AromaticContact CD2-CE1 3.75Å; Y15-H19 AromaticContact CD2-ND1 3.27Å; Y15-H19 VanDerWaalsContact CD2-ND1 3.27Å; Y15-H19 WeakPolarHBondContact CD2-ND1 3.38Å; Y15-H19 AromaticContact CE1-CE1 3.79Å; Y15-H19 AromaticContact CE1-ND1 4Å; Y15-H19 AromaticContact CE2-CE1 3.65Å; Y15-H19 AromaticContact CE2-ND1 3.68Å; Y15-H19 HydrophobicContact CG-CB 4.48Å; Y15-H19 AromaticContact CG-CE1 3.85Å; Y15-H19 AromaticContact CG-ND1 3.22Å; Y15-H19 AromaticContact CZ-CE1 3.66Å |
| 16 | G | 92.1 | Very high | 86.1 | Confident | 54 Ų | 54 | 86.7 Ų | 86.7 | 56% | 0.557 | 45% | 0.453 | S | S | * | . | trans | -55.4 | 148.2 | 168 | 0 | 0 | 0 | 0 | 0 | 112.2 | T18 H19 L20 | G16-T18 PolarHBondContact O-N 2.95Å; G16-H19 PolarHBondContact O-N 2.96Å; G16-L20 PolarHBondContact O-N 3.01Å | ||
| 17 | L | 92.4 | Very high | 88.2 | Confident | 109 Ų | 109 | 79.4 Ų | 79.4 | 57% | 0.571 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -49.8 | -35.8 | -166.8 | -66.3 | 173.7 | 0 | 0 | 0 | 115 | L20 Y21 | L17-L20 HydrophobicContact CD2-CD2 3.99Å; L17-L20 WeakPolarHBondContact O-CB 3.35Å; L17-L20 PolarHBondContact O-N 2.92Å; L17-Y21 HydrophobicContact CB-CE2 4.2Å; L17-Y21 WeakPolarHBondContact O-CD2 3.33Å; L17-Y21 PolarHBondContact O-N 3.47Å |
| 18 | T | 93.9 | Very high | 90.2 | Very high | 114 Ų | 114 | 75.4 Ų | 75.4 | 70% | 0.699 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.2 | -50 | 177.8 | 47.1 | 0 | 0 | 0 | 0 | 112.2 | G16 Y21 I22 | G16-T18 PolarHBondContact O-N 2.95Å; T18-Y21 PolarHBondContact O-N 3.15Å; T18-I22 WeakPolarHBondContact O-CD1 3.45Å; T18-I22 VanDerWaalsContact O-CG1 3.25Å; T18-I22 WeakPolarHBondContact O-CG1 3.42Å; T18-I22 PolarHBondContact O-N 2.84Å; T18-I22 VanDerWaalsContact O-N 3.1Å |
| 19 | H | 92.8 | Very high | 92 | Very high | 86 Ų | 86 | 70.9 Ų | 70.9 | 40% | 0.398 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68 | -38.7 | 176.8 | -171.3 | -78.7 | 0 | 0 | 0 | 110.9 | Y15 G16 Y21 I22 T23 | Y15-H19 AromaticContact CD1-CE1 3.87Å; Y15-H19 AromaticContact CD1-ND1 3.61Å; Y15-H19 AromaticContact CD2-CE1 3.75Å; Y15-H19 AromaticContact CD2-ND1 3.27Å; Y15-H19 VanDerWaalsContact CD2-ND1 3.27Å; Y15-H19 WeakPolarHBondContact CD2-ND1 3.38Å; Y15-H19 AromaticContact CE1-CE1 3.79Å; Y15-H19 AromaticContact CE1-ND1 4Å; Y15-H19 AromaticContact CE2-CE1 3.65Å; Y15-H19 AromaticContact CE2-ND1 3.68Å; Y15-H19 HydrophobicContact CG-CB 4.48Å; Y15-H19 AromaticContact CG-CE1 3.85Å; Y15-H19 AromaticContact CG-ND1 3.22Å; Y15-H19 AromaticContact CZ-CE1 3.66Å; G16-H19 PolarHBondContact O-N 2.96Å; H19-Y21 PolarHBondContact O-N 3.02Å; H19-I22 PolarHBondContact O-N 2.84Å; H19-T23 PolarHBondContact CE1-OG1 2.81Å; H19-T23 PolarHBondContact ND1-OG1 3.35Å; H19-T23 WeakPolarHBondContact O-CB 3.19Å; H19-T23 PolarHBondContact O-N 3.07Å; H19-T23 PolarHBondContact O-OG1 2.95Å; H19-T23 VanDerWaalsContact O-OG1 3.09Å |
| 20 | L | 94.2 | Very high | 93.2 | Very high | 18 Ų | 18 | 70.2 Ų | 70.2 | 9% | 0.094 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -52 | -53 | 172.9 | -179 | 71.2 | 0 | 0 | 0 | 111.9 | F11 P13 G16 L17 T23 C24 V82 | F11-L20 HydrophobicContact CZ-CD1 4.49Å; P13-L20 HydrophobicContact CB-CD1 4.02Å; P13-L20 HydrophobicContact CB-CD2 3.97Å; G16-L20 PolarHBondContact O-N 3.01Å; L17-L20 HydrophobicContact CD2-CD2 3.99Å; L17-L20 WeakPolarHBondContact O-CB 3.35Å; L17-L20 PolarHBondContact O-N 2.92Å; L20-T23 PolarHBondContact O-N 2.94Å; L20-C24 WeakPolarHBondContact O-CB 3.28Å; L20-C24 PolarHBondContact O-N 3.03Å; L20-C24 PolarHBondContact O-SG 3.38Å; L20-V82 HydrophobicContact CD1-CB 3.66Å; L20-V82 HydrophobicContact CD1-CG1 4.22Å; L20-V82 HydrophobicContact CD1-CG2 4.19Å |
| 21 | Y | 95.3 | Very high | 94 | Very high | 144 Ų | 144 | 66.7 Ų | 66.7 | 57% | 0.565 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.4 | -40.4 | 178.9 | -68.8 | -53.5 | 0 | 0 | 0 | 112.5 | L17 T18 H19 C24 I25 | L17-Y21 HydrophobicContact CB-CE2 4.2Å; L17-Y21 WeakPolarHBondContact O-CD2 3.33Å; L17-Y21 PolarHBondContact O-N 3.47Å; T18-Y21 PolarHBondContact O-N 3.15Å; H19-Y21 PolarHBondContact O-N 3.02Å; Y21-C24 PolarHBondContact O-N 3.21Å; Y21-I25 WeakPolarHBondContact O-CB 3.37Å; Y21-I25 WeakPolarHBondContact O-CD1 3.46Å; Y21-I25 VanDerWaalsContact O-CG1 3.23Å; Y21-I25 WeakPolarHBondContact O-CG1 3.34Å; Y21-I25 PolarHBondContact O-N 3.24Å |
| 22 | I | 95.9 | Very high | 94.5 | Very high | 96 Ų | 96 | 67.4 Ų | 67.4 | 49% | 0.492 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 177.4 | -69.8 | 164.7 | 0 | 0 | 0 | 110.8 | T18 H19 I25 I26 | T18-I22 WeakPolarHBondContact O-CD1 3.45Å; T18-I22 VanDerWaalsContact O-CG1 3.25Å; T18-I22 WeakPolarHBondContact O-CG1 3.42Å; T18-I22 PolarHBondContact O-N 2.84Å; T18-I22 VanDerWaalsContact O-N 3.1Å; H19-I22 PolarHBondContact O-N 2.84Å; I22-I25 PolarHBondContact O-N 3.45Å; I22-I26 HydrophobicContact CG2-CD1 3.71Å; I22-I26 WeakPolarHBondContact O-CG1 3.44Å; I22-I26 PolarHBondContact O-N 3.03Å |
| 23 | T | 94.1 | Very high | 94.9 | Very high | 20 Ų | 20 | 67.3 Ų | 67.3 | 12% | 0.123 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 175.9 | -59.2 | 0 | 0 | 0 | 0 | 111 | H19 L20 I25 I26 L27 E81 V82 | H19-T23 PolarHBondContact CE1-OG1 2.81Å; H19-T23 PolarHBondContact ND1-OG1 3.35Å; H19-T23 WeakPolarHBondContact O-CB 3.19Å; H19-T23 PolarHBondContact O-N 3.07Å; H19-T23 PolarHBondContact O-OG1 2.95Å; H19-T23 VanDerWaalsContact O-OG1 3.09Å; L20-T23 PolarHBondContact O-N 2.94Å; T23-I25 VanDerWaalsContact C-N 3.3Å; T23-I25 PolarHBondContact O-N 3.18Å; T23-I26 PolarHBondContact O-N 2.95Å; T23-L27 HydrophobicContact CG2-CD1 3.66Å; T23-L27 HydrophobicContact CG2-CG 4.11Å; T23-L27 WeakPolarHBondContact O-CB 3.48Å; T23-L27 VanDerWaalsContact O-CG 3.3Å; T23-L27 WeakPolarHBondContact O-CG 3.46Å; T23-L27 PolarHBondContact O-N 3.19Å; T23-E81 HydrophobicContact CG2-CG 4.33Å; T23-V82 HydrophobicContact CG2-CG1 3.72Å |
| 24 | C | 96 | Very high | 95.2 | Very high | 62 Ų | 62 | 64.9 Ų | 64.9 | 42% | 0.419 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.5 | -39.4 | 177.9 | -68.6 | 0 | 0 | 0 | 0 | 112.9 | L20 Y21 G28 | L20-C24 WeakPolarHBondContact O-CB 3.28Å; L20-C24 PolarHBondContact O-N 3.03Å; L20-C24 PolarHBondContact O-SG 3.38Å; Y21-C24 PolarHBondContact O-N 3.21Å; C24-G28 WeakPolarHBondContact O-CA 3.36Å; C24-G28 PolarHBondContact O-N 3.11Å |
| 25 | I | 96.8 | Very high | 95.7 | Very high | 107 Ų | 107 | 64.5 Ų | 64.5 | 55% | 0.549 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.5 | -47.2 | 177.3 | -71.6 | 164.3 | 0 | 0 | 0 | 111 | Y21 I22 T23 G28 I29 | Y21-I25 WeakPolarHBondContact O-CB 3.37Å; Y21-I25 WeakPolarHBondContact O-CD1 3.46Å; Y21-I25 VanDerWaalsContact O-CG1 3.23Å; Y21-I25 WeakPolarHBondContact O-CG1 3.34Å; Y21-I25 PolarHBondContact O-N 3.24Å; I22-I25 PolarHBondContact O-N 3.45Å; T23-I25 VanDerWaalsContact C-N 3.3Å; T23-I25 PolarHBondContact O-N 3.18Å; I25-G28 PolarHBondContact O-N 2.91Å; I25-I29 HydrophobicContact CG2-CD1 3.78Å; I25-I29 WeakPolarHBondContact O-CB 3.38Å; I25-I29 WeakPolarHBondContact O-CD1 3.49Å; I25-I29 VanDerWaalsContact O-CG1 3.24Å; I25-I29 WeakPolarHBondContact O-CG1 3.49Å; I25-I29 PolarHBondContact O-N 3.23Å |
| 26 | I | 96.7 | Very high | 96 | Very high | 93 Ų | 93 | 65.6 Ų | 65.6 | 48% | 0.477 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.9 | -50.3 | -179.1 | -68.5 | 167.5 | 0 | 0 | 0 | 110.8 | I22 T23 I29 I30 | I22-I26 HydrophobicContact CG2-CD1 3.71Å; I22-I26 WeakPolarHBondContact O-CG1 3.44Å; I22-I26 PolarHBondContact O-N 3.03Å; T23-I26 PolarHBondContact O-N 2.95Å; I26-I29 PolarHBondContact O-N 2.94Å; I26-I30 HydrophobicContact CG2-CD1 4.13Å; I26-I30 WeakPolarHBondContact O-CG1 3.46Å; I26-I30 PolarHBondContact O-N 2.94Å; I26-I30 VanDerWaalsContact O-N 3.08Å |
| 27 | L | 96.7 | Very high | 96.2 | Very high | 14 Ų | 14 | 63.8 Ų | 63.8 | 7% | 0.073 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 179.4 | -60.5 | -177.8 | 0 | 0 | 0 | 111.4 | T23 I29 I30 I31 A78 E81 W1074 | T23-L27 HydrophobicContact CG2-CD1 3.66Å; T23-L27 HydrophobicContact CG2-CG 4.11Å; T23-L27 WeakPolarHBondContact O-CB 3.48Å; T23-L27 VanDerWaalsContact O-CG 3.3Å; T23-L27 WeakPolarHBondContact O-CG 3.46Å; T23-L27 PolarHBondContact O-N 3.19Å; L27-I29 VanDerWaalsContact C-N 3.35Å; L27-I29 PolarHBondContact O-N 2.9Å; L27-I30 HydrophobicContact CD2-CD1 4.44Å; L27-I30 PolarHBondContact O-N 3.49Å; L27-I31 VanDerWaalsContact O-CG1 3.3Å; L27-I31 WeakPolarHBondContact O-CG1 3.33Å; L27-I31 PolarHBondContact O-N 2.86Å; L27-A78 HydrophobicContact CB-CB 4.26Å; L27-A78 HydrophobicContact CD1-CB 3.87Å; L27-E81 HydrophobicContact CD1-CB 4.26Å; L27-E81 HydrophobicContact CD1-CG 4.14Å; L27-W1074 HydrophobicContact CB-CH2 4.28Å; L27-W1074 HydrophobicContact CD1-CH2 4.29Å; L27-W1074 HydrophobicContact CD1-CZ2 3.7Å; L27-W1074 HydrophobicContact CD2-CD2 3.64Å; L27-W1074 HydrophobicContact CD2-CE3 3.82Å; L27-W1074 HydrophobicContact CD2-CG 4.29Å; L27-W1074 HydrophobicContact CD2-CH2 3.95Å; L27-W1074 HydrophobicContact CD2-CZ2 3.76Å; L27-W1074 HydrophobicContact CD2-CZ3 3.96Å; L27-W1074 HydrophobicContact CG-CH2 4.39Å; L27-W1074 HydrophobicContact CG-CZ2 4.19Å |
| 28 | G | 97.5 | Very high | 96.5 | Very high | 24 Ų | 24 | 58.6 Ų | 58.6 | 25% | 0.247 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.7 | -41 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | C24 I25 I31 I32 | C24-G28 WeakPolarHBondContact O-CA 3.36Å; C24-G28 PolarHBondContact O-N 3.11Å; I25-G28 PolarHBondContact O-N 2.91Å; G28-I31 PolarHBondContact O-N 3.06Å; G28-I32 WeakPolarHBondContact O-CB 3.43Å; G28-I32 WeakPolarHBondContact O-CD1 3.49Å; G28-I32 WeakPolarHBondContact O-CG1 3.31Å; G28-I32 PolarHBondContact O-N 3.2Å |
| 29 | I | 97.5 | Very high | 96.6 | Very high | 96 Ų | 96 | 57 Ų | 57 | 49% | 0.492 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 174.6 | -71.4 | 164.9 | 0 | 0 | 0 | 111 | I25 I26 L27 I31 I32 C33 | I25-I29 HydrophobicContact CG2-CD1 3.78Å; I25-I29 WeakPolarHBondContact O-CB 3.38Å; I25-I29 WeakPolarHBondContact O-CD1 3.49Å; I25-I29 VanDerWaalsContact O-CG1 3.24Å; I25-I29 WeakPolarHBondContact O-CG1 3.49Å; I25-I29 PolarHBondContact O-N 3.23Å; I26-I29 PolarHBondContact O-N 2.94Å; L27-I29 VanDerWaalsContact C-N 3.35Å; L27-I29 PolarHBondContact O-N 2.9Å; I29-I31 PolarHBondContact O-N 2.95Å; I29-I32 PolarHBondContact O-N 3.36Å; I29-C33 VanDerWaalsContact O-CB 3.27Å; I29-C33 WeakPolarHBondContact O-CB 3.44Å; I29-C33 PolarHBondContact O-N 3.45Å; I29-C33 PolarHBondContact O-SG 3.24Å |
| 30 | I | 97.2 | Very high | 96.8 | Very high | 30 Ų | 30 | 55.4 Ų | 55.4 | 15% | 0.154 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.6 | -47 | 176.9 | -68.4 | 165.1 | 0 | 0 | 0 | 110.6 | I26 L27 T34 L1078 | I26-I30 HydrophobicContact CG2-CD1 4.13Å; I26-I30 WeakPolarHBondContact O-CG1 3.46Å; I26-I30 PolarHBondContact O-N 2.94Å; I26-I30 VanDerWaalsContact O-N 3.08Å; L27-I30 HydrophobicContact CD2-CD1 4.44Å; L27-I30 PolarHBondContact O-N 3.49Å; I30-T34 WeakPolarHBondContact O-CB 3.22Å; I30-T34 PolarHBondContact O-N 3.08Å; I30-T34 PolarHBondContact O-OG1 2.92Å; I30-L1078 HydrophobicContact CD1-CD2 4.26Å; I30-L1078 HydrophobicContact CG1-CD2 4.29Å; I30-L1078 HydrophobicContact CG2-CD2 3.9Å |
| 31 | I | 98.3 | Very high | 96.9 | Very high | 20 Ų | 20 | 54.5 Ų | 54.5 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.4 | -52.5 | 177.7 | -69.5 | 166.5 | 0 | 0 | 0 | 110.9 | L27 G28 I29 C33 T34 I35 M74 P75 A78 | L27-I31 VanDerWaalsContact O-CG1 3.3Å; L27-I31 WeakPolarHBondContact O-CG1 3.33Å; L27-I31 PolarHBondContact O-N 2.86Å; G28-I31 PolarHBondContact O-N 3.06Å; I29-I31 PolarHBondContact O-N 2.95Å; I31-C33 PolarHBondContact O-N 3.18Å; I31-T34 WeakPolarHBondContact O-CB 3.48Å; I31-T34 PolarHBondContact O-N 3.45Å; I31-T34 VanDerWaalsContact O-N 3.14Å; I31-I35 HydrophobicContact CG2-CD1 3.84Å; I31-I35 WeakPolarHBondContact O-CG1 3.48Å; I31-I35 PolarHBondContact O-N 3.46Å; I31-M74 HydrophobicContact CD1-CB 3.89Å; I31-M74 HydrophobicContact CG1-CB 3.63Å; I31-M74 HydrophobicContact CG1-CG 4.46Å; I31-M74 HydrophobicContact CG1-SD 4.02Å; I31-P75 HydrophobicContact CD1-CG 4.4Å; I31-A78 HydrophobicContact CD1-CB 4.37Å |
| 32 | I | 98.2 | Very high | 97 | Very high | 99 Ų | 99 | 48.6 Ų | 48.6 | 51% | 0.508 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | -177.9 | -70.9 | 166.8 | 0 | 0 | 0 | 111.1 | G28 I29 T34 I35 I36 | G28-I32 WeakPolarHBondContact O-CB 3.43Å; G28-I32 WeakPolarHBondContact O-CD1 3.49Å; G28-I32 WeakPolarHBondContact O-CG1 3.31Å; G28-I32 PolarHBondContact O-N 3.2Å; I29-I32 PolarHBondContact O-N 3.36Å; I32-T34 VanDerWaalsContact C-N 3.31Å; I32-T34 PolarHBondContact O-N 3.11Å; I32-I35 PolarHBondContact O-N 3.23Å; I32-I36 HydrophobicContact CG2-CD1 3.65Å; I32-I36 HydrophobicContact CG2-CG1 4.41Å; I32-I36 WeakPolarHBondContact O-CB 3.42Å; I32-I36 VanDerWaalsContact O-CG1 3.29Å; I32-I36 WeakPolarHBondContact O-CG1 3.48Å; I32-I36 PolarHBondContact O-N 3.06Å |
| 33 | C | 97.5 | Very high | 97 | Very high | 57 Ų | 57 | 47.2 Ų | 47.2 | 39% | 0.385 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.2 | -36.8 | 176.3 | -72.7 | 0 | 0 | 0 | 0 | 112.3 | I29 I31 G37 L1081 | I29-C33 VanDerWaalsContact O-CB 3.27Å; I29-C33 WeakPolarHBondContact O-CB 3.44Å; I29-C33 PolarHBondContact O-N 3.45Å; I29-C33 PolarHBondContact O-SG 3.24Å; I31-C33 PolarHBondContact O-N 3.18Å; C33-G37 PolarHBondContact O-N 3.04Å; C33-L1081 HydrophobicContact CB-CD1 3.61Å |
| 34 | T | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.6 | -44 | 176.9 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | I30 I31 I32 N38 A70 M74 L1081 | I30-T34 WeakPolarHBondContact O-CB 3.22Å; I30-T34 PolarHBondContact O-N 3.08Å; I30-T34 PolarHBondContact O-OG1 2.92Å; I31-T34 WeakPolarHBondContact O-CB 3.48Å; I31-T34 PolarHBondContact O-N 3.45Å; I31-T34 VanDerWaalsContact O-N 3.14Å; I32-T34 VanDerWaalsContact C-N 3.31Å; I32-T34 PolarHBondContact O-N 3.11Å; T34-N38 PolarHBondContact O-N 3.24Å; T34-N38 VanDerWaalsContact O-N 3.1Å; T34-N38 PolarHBondContact O-ND2 2.92Å; T34-A70 HydrophobicContact CG2-CB 3.69Å; T34-M74 HydrophobicContact CG2-CE 3.97Å; T34-L1081 WeakPolarHBondContact OG1-CB 3.38Å |
| 35 | I | 98.5 | Very high | 97.1 | Very high | 48 Ų | 48 | 43.5 Ų | 43.5 | 25% | 0.246 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.1 | -51.1 | 176.2 | -66.1 | 170.6 | 0 | 0 | 0 | 110.2 | I31 I32 G37 M39 L67 A70 I71 | I31-I35 HydrophobicContact CG2-CD1 3.84Å; I31-I35 WeakPolarHBondContact O-CG1 3.48Å; I31-I35 PolarHBondContact O-N 3.46Å; I32-I35 PolarHBondContact O-N 3.23Å; I35-G37 PolarHBondContact O-N 3.16Å; I35-M39 HydrophobicContact CG2-CG 4.37Å; I35-M39 VanDerWaalsContact O-CB 3.3Å; I35-M39 WeakPolarHBondContact O-CB 3.46Å; I35-M39 VanDerWaalsContact O-CG 3.22Å; I35-M39 WeakPolarHBondContact O-CG 3.45Å; I35-M39 PolarHBondContact O-N 2.81Å; I35-L67 HydrophobicContact CB-CD2 4.48Å; I35-L67 HydrophobicContact CG2-CD2 4.27Å; I35-L67 WeakPolarHBondContact O-CD2 3.39Å; I35-A70 HydrophobicContact CG1-CB 3.68Å; I35-I71 HydrophobicContact CD1-CG1 4.02Å; I35-I71 HydrophobicContact CG1-CG1 4.15Å |
| 36 | I | 97 | Very high | 97 | Very high | 87 Ų | 87 | 43.1 Ų | 43.1 | 45% | 0.446 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.7 | -49.6 | -179.7 | -68.9 | 171.1 | 0 | 0 | 0 | 110.4 | I32 N38 M39 F40 | I32-I36 HydrophobicContact CG2-CD1 3.65Å; I32-I36 HydrophobicContact CG2-CG1 4.41Å; I32-I36 WeakPolarHBondContact O-CB 3.42Å; I32-I36 VanDerWaalsContact O-CG1 3.29Å; I32-I36 WeakPolarHBondContact O-CG1 3.48Å; I32-I36 PolarHBondContact O-N 3.06Å; I36-N38 PolarHBondContact O-N 3.49Å; I36-M39 PolarHBondContact O-N 3.15Å; I36-F40 HydrophobicContact CG2-CD2 3.8Å; I36-F40 HydrophobicContact CG2-CE2 3.85Å; I36-F40 WeakPolarHBondContact O-CD2 3.4Å; I36-F40 PolarHBondContact O-N 3.34Å |
| 37 | G | 96.6 | Very high | 96.8 | Very high | 15 Ų | 15 | 44.3 Ų | 44.3 | 16% | 0.155 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.2 | -47.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | C33 I35 F40 V41 | C33-G37 PolarHBondContact O-N 3.04Å; I35-G37 PolarHBondContact O-N 3.16Å; G37-F40 WeakPolarHBondContact O-CB 3.33Å; G37-F40 PolarHBondContact O-N 2.84Å; G37-V41 PolarHBondContact O-N 2.85Å; G37-V41 VanDerWaalsContact O-N 3.13Å |
| 38 | N | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -76.2 | -31.1 | -178.6 | -70 | -66.8 | 0 | 0 | 0 | 112.8 | T34 I36 F40 V41 V42 A63 D66 L67 S1080 P1084 | T34-N38 PolarHBondContact O-N 3.24Å; T34-N38 VanDerWaalsContact O-N 3.1Å; T34-N38 PolarHBondContact O-ND2 2.92Å; I36-N38 PolarHBondContact O-N 3.49Å; N38-F40 VanDerWaalsContact C-N 3.31Å; N38-F40 PolarHBondContact O-N 3.2Å; N38-V41 PolarHBondContact O-N 3.34Å; N38-V42 WeakPolarHBondContact O-CG2 3.42Å; N38-V42 PolarHBondContact O-N 3.18Å; N38-A63 HydrophobicContact CB-CB 4.43Å; N38-D66 HydrophobicContact CB-CB 4.49Å; N38-L67 HydrophobicContact CB-CD1 4.42Å; N38-L67 HydrophobicContact CB-CD2 3.92Å; N38-L67 HydrophobicContact CB-CG 3.76Å; N38-S1080 PolarHBondContact ND2-O 3.44Å; N38-P1084 HydrophobicContact CB-CG 4.49Å; N38-P1084 WeakPolarHBondContact OD1-CD 3.44Å; N38-P1084 WeakPolarHBondContact OD1-CG 3.47Å |
| 39 | M | 97.1 | Very high | 96.3 | Very high | 82 Ų | 82 | 53.7 Ų | 53.7 | 40% | 0.404 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.3 | -42.4 | 166.2 | -77.1 | -67.8 | -175.8 | 0 | 0 | 111.6 | I35 I36 V41 V42 I43 L67 | I35-M39 HydrophobicContact CG2-CG 4.37Å; I35-M39 VanDerWaalsContact O-CB 3.3Å; I35-M39 WeakPolarHBondContact O-CB 3.46Å; I35-M39 VanDerWaalsContact O-CG 3.22Å; I35-M39 WeakPolarHBondContact O-CG 3.45Å; I35-M39 PolarHBondContact O-N 2.81Å; I36-M39 PolarHBondContact O-N 3.15Å; M39-V41 PolarHBondContact O-N 3.01Å; M39-V42 PolarHBondContact O-N 3.34Å; M39-I43 WeakPolarHBondContact O-CB 3.2Å; M39-I43 WeakPolarHBondContact O-CD1 3.2Å; M39-I43 WeakPolarHBondContact O-CG1 3.28Å; M39-I43 PolarHBondContact O-N 2.94Å; M39-L67 HydrophobicContact CE-CD1 4.18Å; M39-L67 HydrophobicContact CE-CD2 4.31Å; M39-L67 HydrophobicContact CG-CD1 4.35Å; M39-L67 HydrophobicContact CG-CD2 3.99Å; M39-L67 HydrophobicContact SD-CD1 4.02Å |
| 40 | F | 95.7 | Very high | 95.8 | Very high | 51 Ų | 51 | 55 Ų | 55 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 174.1 | -93.9 | -82.9 | 0 | 0 | 0 | 112.3 | I36 G37 N38 I43 A44 F1098 I1101 L1102 I1105 | I36-F40 HydrophobicContact CG2-CD2 3.8Å; I36-F40 HydrophobicContact CG2-CE2 3.85Å; I36-F40 WeakPolarHBondContact O-CD2 3.4Å; I36-F40 PolarHBondContact O-N 3.34Å; G37-F40 WeakPolarHBondContact O-CB 3.33Å; G37-F40 PolarHBondContact O-N 2.84Å; N38-F40 VanDerWaalsContact C-N 3.31Å; N38-F40 PolarHBondContact O-N 3.2Å; F40-I43 PolarHBondContact O-N 3.24Å; F40-A44 VanDerWaalsContact O-CB 3.26Å; F40-A44 WeakPolarHBondContact O-CB 3.28Å; F40-A44 PolarHBondContact O-N 3.22Å; F40-F1098 HydrophobicContact CB-CD1 4.3Å; F40-F1098 HydrophobicContact CB-CE1 4.07Å; F40-F1098 HydrophobicContact CD1-CD1 4.31Å; F40-F1098 WeakPolarHBondContact O-CE1 3.48Å; F40-I1101 HydrophobicContact CD1-CG2 4.06Å; F40-I1101 HydrophobicContact CE1-CB 4.39Å; F40-I1101 HydrophobicContact CE1-CG2 3.64Å; F40-L1102 HydrophobicContact CE1-CD2 3.88Å; F40-L1102 HydrophobicContact CE1-CG 4.18Å; F40-L1102 HydrophobicContact CZ-CD2 3.74Å; F40-I1105 HydrophobicContact CE1-CD1 4.15Å; F40-I1105 HydrophobicContact CZ-CD1 3.98Å |
| 41 | V | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61 | -48.3 | 175.5 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | G37 N38 M39 A44 I45 I59 A63 P1084 Y1087 F1094 F1098 | G37-V41 PolarHBondContact O-N 2.85Å; G37-V41 VanDerWaalsContact O-N 3.13Å; N38-V41 PolarHBondContact O-N 3.34Å; M39-V41 PolarHBondContact O-N 3.01Å; V41-A44 PolarHBondContact O-N 3.39Å; V41-I45 HydrophobicContact CG1-CD1 4.04Å; V41-I45 WeakPolarHBondContact O-CG1 3.38Å; V41-I45 PolarHBondContact O-N 3.39Å; V41-I45 VanDerWaalsContact O-N 3.13Å; V41-I59 HydrophobicContact CG1-CG2 4.19Å; V41-A63 HydrophobicContact CB-CB 4.11Å; V41-A63 HydrophobicContact CG1-CB 3.75Å; V41-P1084 HydrophobicContact CG2-CB 4.25Å; V41-P1084 HydrophobicContact CG2-CG 4.15Å; V41-Y1087 HydrophobicContact CG1-CD2 4.47Å; V41-Y1087 HydrophobicContact CG1-CE2 4.31Å; V41-Y1087 HydrophobicContact CG2-CD2 3.82Å; V41-Y1087 HydrophobicContact CG2-CE2 4.25Å; V41-F1094 HydrophobicContact CG1-CE1 4.1Å; V41-F1098 HydrophobicContact CG2-CZ 4.05Å |
| 42 | V | 97.5 | Very high | 95.1 | Very high | 20 Ų | 20 | 56.9 Ų | 56.9 | 12% | 0.121 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.3 | -51.9 | 176.3 | 168.4 | 0 | 0 | 0 | 0 | 110.7 | N38 M39 A44 I45 L46 L60 A63 V64 L67 | N38-V42 WeakPolarHBondContact O-CG2 3.42Å; N38-V42 PolarHBondContact O-N 3.18Å; M39-V42 PolarHBondContact O-N 3.34Å; V42-A44 VanDerWaalsContact C-N 3.33Å; V42-A44 PolarHBondContact O-N 2.89Å; V42-I45 PolarHBondContact O-N 3.09Å; V42-L46 HydrophobicContact CG1-CD1 3.72Å; V42-L46 HydrophobicContact CG1-CG 4.44Å; V42-L46 WeakPolarHBondContact O-CB 3.45Å; V42-L46 VanDerWaalsContact O-CG 3.3Å; V42-L46 WeakPolarHBondContact O-CG 3.45Å; V42-L46 PolarHBondContact O-N 3.21Å; V42-L60 HydrophobicContact CB-CD1 4.16Å; V42-L60 HydrophobicContact CG1-CD1 4Å; V42-L60 HydrophobicContact CG2-CD1 4.06Å; V42-A63 HydrophobicContact CG2-CB 3.96Å; V42-V64 HydrophobicContact CG2-CG2 4.38Å; V42-L67 HydrophobicContact CG2-CD1 4.07Å |
| 43 | I | 95.8 | Very high | 94.6 | Very high | 67 Ų | 67 | 58 Ų | 58 | 34% | 0.344 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.3 | -38.7 | -179.5 | -67.4 | 166 | 0 | 0 | 0 | 111.3 | M39 F40 L46 I47 I1101 | M39-I43 WeakPolarHBondContact O-CB 3.2Å; M39-I43 WeakPolarHBondContact O-CD1 3.2Å; M39-I43 WeakPolarHBondContact O-CG1 3.28Å; M39-I43 PolarHBondContact O-N 2.94Å; F40-I43 PolarHBondContact O-N 3.24Å; I43-L46 PolarHBondContact O-N 3.49Å; I43-I47 HydrophobicContact CG2-CD1 3.6Å; I43-I47 HydrophobicContact CG2-CG1 4.24Å; I43-I47 WeakPolarHBondContact O-CB 3.15Å; I43-I47 WeakPolarHBondContact O-CG1 3.45Å; I43-I47 PolarHBondContact O-N 3.12Å; I43-I1101 HydrophobicContact CG2-CD1 3.89Å; I43-I1101 HydrophobicContact CG2-CG1 4.37Å; I43-I1101 HydrophobicContact CG2-CG2 4.46Å |
| 44 | A | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.3 | -44 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F40 V41 V42 D48 L51 F1094 A1097 F1098 I1101 | F40-A44 VanDerWaalsContact O-CB 3.26Å; F40-A44 WeakPolarHBondContact O-CB 3.28Å; F40-A44 PolarHBondContact O-N 3.22Å; V41-A44 PolarHBondContact O-N 3.39Å; V42-A44 VanDerWaalsContact C-N 3.33Å; V42-A44 PolarHBondContact O-N 2.89Å; A44-D48 VanDerWaalsContact O-CB 3.31Å; A44-D48 WeakPolarHBondContact O-CB 3.33Å; A44-D48 PolarHBondContact O-N 3.16Å; A44-L51 HydrophobicContact CB-CD1 3.88Å; A44-F1094 HydrophobicContact CB-CD1 4.31Å; A44-A1097 HydrophobicContact CB-CB 4.03Å; A44-F1098 HydrophobicContact CB-CD1 3.96Å; A44-F1098 HydrophobicContact CB-CE1 3.68Å; A44-I1101 HydrophobicContact CB-CD1 3.85Å |
| 45 | I | 95.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.3 | -36.2 | 178.1 | -60.8 | 165.9 | 0 | 0 | 0 | 111 | V41 V42 Q52 N56 I59 L60 F1094 | V41-I45 HydrophobicContact CG1-CD1 4.04Å; V41-I45 WeakPolarHBondContact O-CG1 3.38Å; V41-I45 PolarHBondContact O-N 3.39Å; V41-I45 VanDerWaalsContact O-N 3.13Å; V42-I45 PolarHBondContact O-N 3.09Å; I45-Q52 WeakPolarHBondContact O-CG 3.29Å; I45-N56 HydrophobicContact CG2-CB 4.38Å; I45-I59 HydrophobicContact CD1-CB 4.14Å; I45-I59 HydrophobicContact CD1-CG2 3.88Å; I45-L60 HydrophobicContact CB-CD1 4.35Å; I45-L60 HydrophobicContact CD1-CB 3.99Å; I45-L60 HydrophobicContact CD1-CD1 4.49Å; I45-L60 HydrophobicContact CG2-CB 4.26Å; I45-F1094 HydrophobicContact CD1-CE1 4.04Å; I45-F1094 HydrophobicContact CD1-CZ 3.94Å; I45-F1094 HydrophobicContact CG1-CE1 3.74Å; I45-F1094 HydrophobicContact CG1-CZ 3.87Å |
| 46 | L | 95 | Very high | 93.5 | Very high | 100 Ų | 100 | 55.5 Ų | 55.5 | 52% | 0.524 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -73.7 | -34.3 | 179.9 | -68.9 | 177.5 | 0 | 0 | 0 | 113.3 | V42 I43 Q52 L60 | V42-L46 HydrophobicContact CG1-CD1 3.72Å; V42-L46 HydrophobicContact CG1-CG 4.44Å; V42-L46 WeakPolarHBondContact O-CB 3.45Å; V42-L46 VanDerWaalsContact O-CG 3.3Å; V42-L46 WeakPolarHBondContact O-CG 3.45Å; V42-L46 PolarHBondContact O-N 3.21Å; I43-L46 PolarHBondContact O-N 3.49Å; L46-Q52 PolarHBondContact O-NE2 2.87Å; L46-L60 HydrophobicContact CD2-CD2 4.14Å; L46-L60 HydrophobicContact CG-CD1 4.34Å |
| 47 | I | 92.9 | Very high | 93.4 | Very high | 118 Ų | 118 | 53.6 Ų | 53.6 | 61% | 0.605 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -92.5 | -44.4 | -177.9 | -64.4 | -177.3 | 0 | 0 | 0 | 112.8 | I43 R49 | I43-I47 HydrophobicContact CG2-CD1 3.6Å; I43-I47 HydrophobicContact CG2-CG1 4.24Å; I43-I47 WeakPolarHBondContact O-CB 3.15Å; I43-I47 WeakPolarHBondContact O-CG1 3.45Å; I43-I47 PolarHBondContact O-N 3.12Å; I47-R49 PolarHBondContact O-N 2.77Å |
| 48 | D | 93 | Very high | 93.3 | Very high | 17 Ų | 17 | 52.9 Ų | 52.9 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | trans | -83.2 | 112 | -169.9 | -158.9 | -34.3 | 0 | 0 | 0 | 112 | A44 Q50 L51 Q52 A1097 K1100 | A44-D48 VanDerWaalsContact O-CB 3.31Å; A44-D48 WeakPolarHBondContact O-CB 3.33Å; A44-D48 PolarHBondContact O-N 3.16Å; D48-Q50 PolarHBondContact O-N 3.33Å; D48-Q50 WeakPolarHBondContact OD1-CB 3.49Å; D48-Q50 PolarHBondContact OD1-N 3.49Å; D48-L51 HydrophobicContact CB-CB 4.26Å; D48-L51 HydrophobicContact CB-CD1 4.26Å; D48-L51 HydrophobicContact CB-CG 4.29Å; D48-L51 CarbonylContact O-C 3.55Å; D48-L51 WeakPolarHBondContact O-CA 3.39Å; D48-L51 PolarHBondContact O-N 3.31Å; D48-Q52 PolarHBondContact O-N 3.39Å; D48-A1097 HydrophobicContact CB-CB 4.05Å; D48-A1097 WeakPolarHBondContact OD2-CB 3.46Å; D48-K1100 IonicContact OD1-NZ 3.02Å; D48-K1100 PolarHBondContact OD1-NZ 3.09Å; D48-K1100 WeakPolarHBondContact OD2-CD 3.31Å; D48-K1100 WeakPolarHBondContact OD2-CE 3.17Å; D48-K1100 IonicContact OD2-NZ 2.78Å; D48-K1100 PolarHBondContact OD2-NZ 2.94Å | ||
| 49 | R | 90.1 | Very high | 93.2 | Very high | 217 Ų | 217 | 53.6 Ų | 53.6 | 82% | 0.819 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -21.6 | 176.5 | -66.6 | -175.1 | 177.8 | 175.7 | 1.7 | 113.6 | I47 L51 | I47-R49 PolarHBondContact O-N 2.77Å; R49-L51 VanDerWaalsContact C-N 3.34Å |
| 50 | Q | 87.9 | Confident | 93.2 | Very high | 123 Ų | 123 | 51 Ų | 51 | 58% | 0.575 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -24.1 | 174 | -58.3 | -178.7 | -59.5 | 0 | 0 | 112.2 | D48 R53 | D48-Q50 PolarHBondContact O-N 3.33Å; D48-Q50 WeakPolarHBondContact OD1-CB 3.49Å; D48-Q50 PolarHBondContact OD1-N 3.49Å; Q50-R53 PolarHBondContact O-NH1 3.34Å |
| 51 | L | 90.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -11.2 | 175.6 | -67.4 | 178 | 0 | 0 | 0 | 113.9 | A44 D48 R49 R53 N56 D1093 F1094 A1097 | A44-L51 HydrophobicContact CB-CD1 3.88Å; D48-L51 HydrophobicContact CB-CB 4.26Å; D48-L51 HydrophobicContact CB-CD1 4.26Å; D48-L51 HydrophobicContact CB-CG 4.29Å; D48-L51 CarbonylContact O-C 3.55Å; D48-L51 WeakPolarHBondContact O-CA 3.39Å; D48-L51 PolarHBondContact O-N 3.31Å; R49-L51 VanDerWaalsContact C-N 3.34Å; L51-R53 PolarHBondContact O-N 3.47Å; L51-N56 VanDerWaalsContact O-CB 3.27Å; L51-N56 WeakPolarHBondContact O-CB 3.39Å; L51-N56 PolarHBondContact O-ND2 3.07Å; L51-D1093 HydrophobicContact CD2-CB 3.82Å; L51-F1094 HydrophobicContact CD1-CD1 3.83Å; L51-F1094 HydrophobicContact CD1-CE1 3.95Å; L51-F1094 HydrophobicContact CD1-CG 4.24Å; L51-F1094 HydrophobicContact CD1-CZ 4.46Å; L51-F1094 HydrophobicContact CD2-CD2 4.06Å; L51-F1094 HydrophobicContact CD2-CE2 4.01Å; L51-F1094 HydrophobicContact CD2-CG 4.34Å; L51-F1094 HydrophobicContact CD2-CZ 4.25Å; L51-A1097 HydrophobicContact CD1-CB 3.45Å; L51-A1097 VanDerWaalsContact CD1-CB 3.45Å; L51-A1097 HydrophobicContact CG-CB 4.41Å |
| 52 | Q | 91 | Very high | 93.3 | Very high | 89 Ų | 89 | 49.5 Ų | 49.5 | 42% | 0.416 | 23% | 0.23 | S | C | . | . | trans | -71.7 | 33.3 | 173.8 | -69.9 | 176.8 | -11.6 | 0 | 0 | 114 | I45 L46 D48 | I45-Q52 WeakPolarHBondContact O-CG 3.29Å; L46-Q52 PolarHBondContact O-NE2 2.87Å; D48-Q52 PolarHBondContact O-N 3.39Å | ||
| 53 | R | 87 | Confident | 93.3 | Very high | 123 Ų | 123 | 48.7 Ų | 48.7 | 46% | 0.464 | 23% | 0.226 | S | C | . | . | trans | -78.1 | 150.4 | 175.4 | -62.7 | -172.4 | -66.1 | -123.5 | 2.9 | 110.6 | Q50 L51 S55 N56 D1093 | Q50-R53 PolarHBondContact O-NH1 3.34Å; L51-R53 PolarHBondContact O-N 3.47Å; R53-S55 PolarHBondContact O-N 3.42Å; R53-N56 WeakPolarHBondContact O-CB 3.48Å; R53-N56 PolarHBondContact O-N 3.02Å; R53-D1093 IonicContact CZ-OD2 3.35Å; R53-D1093 VanDerWaalsContact CZ-OD2 3.29Å; R53-D1093 IonicContact NH1-OD2 3.36Å; R53-D1093 PolarHBondContact NH1-OD2 3.08Å; R53-D1093 IonicContact NH2-OD2 3.91Å; R53-D1093 PolarHBondContact NH2-OD2 2.9Å | ||
| 54 | V | 89.5 | Confident | 93.4 | Very high | 24 Ų | 24 | 48.3 Ų | 48.3 | 15% | 0.145 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -44 | -169.1 | -171.5 | 0 | 0 | 0 | 0 | 112.7 | N56 Y57 Q131 K133 I136 | V54-N56 PolarHBondContact O-N 3.03Å; V54-Y57 VanDerWaalsContact O-CD2 3.23Å; V54-Y57 WeakPolarHBondContact O-CD2 3.32Å; V54-Y57 PolarHBondContact O-N 3.11Å; V54-Q131 HydrophobicContact CB-CG 4.46Å; V54-K133 HydrophobicContact CG1-CB 4.3Å; V54-K133 HydrophobicContact CG1-CG 4.09Å; V54-K133 HydrophobicContact CG2-CG 4.15Å; V54-I136 HydrophobicContact CG1-CB 4.26Å; V54-I136 HydrophobicContact CG1-CG1 3.84Å |
| 55 | S | 87.2 | Confident | 93.5 | Very high | 14 Ų | 14 | 48.4 Ų | 48.4 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -24.5 | 174.8 | -55.8 | 0 | 0 | 0 | 0 | 114.1 | R53 Y57 L58 D117 R118 Q131 | R53-S55 PolarHBondContact O-N 3.42Å; S55-Y57 PolarHBondContact O-N 3.37Å; S55-L58 WeakPolarHBondContact O-CB 3.39Å; S55-L58 PolarHBondContact O-N 3.38Å; S55-L58 VanDerWaalsContact O-N 3.17Å; S55-D117 VanDerWaalsContact CB-OD2 3.24Å; S55-D117 WeakPolarHBondContact CB-OD2 3.33Å; S55-D117 PolarHBondContact OG-OD1 3.09Å; S55-D117 PolarHBondContact OG-OD2 2.89Å; S55-R118 PolarHBondContact OG-NH2 3.3Å; S55-R118 VanDerWaalsContact OG-NH2 3.15Å; S55-Q131 PolarHBondContact OG-NE2 3.29Å |
| 56 | N | 92.8 | Very high | 93.6 | Very high | 15 Ų | 15 | 48.3 Ų | 48.3 | 8% | 0.08 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.8 | -13.2 | -178.7 | -70.9 | 9.8 | 0 | 0 | 0 | 112.7 | I45 L51 R53 V54 L58 I59 L60 | I45-N56 HydrophobicContact CG2-CB 4.38Å; L51-N56 VanDerWaalsContact O-CB 3.27Å; L51-N56 WeakPolarHBondContact O-CB 3.39Å; L51-N56 PolarHBondContact O-ND2 3.07Å; R53-N56 WeakPolarHBondContact O-CB 3.48Å; R53-N56 PolarHBondContact O-N 3.02Å; V54-N56 PolarHBondContact O-N 3.03Å; N56-L58 PolarHBondContact O-N 3.14Å; N56-I59 PolarHBondContact O-N 3.45Å; N56-I59 VanDerWaalsContact O-N 3.15Å; N56-L60 PolarHBondContact O-N 2.82Å |
| 57 | Y | 95.1 | Very high | 93.7 | Very high | 46 Ų | 46 | 44.2 Ų | 44.2 | 18% | 0.18 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.3 | -24.9 | 170.4 | -65 | -55.5 | 0 | 0 | 0 | 112.7 | V54 S55 L60 S61 K133 | V54-Y57 VanDerWaalsContact O-CD2 3.23Å; V54-Y57 WeakPolarHBondContact O-CD2 3.32Å; V54-Y57 PolarHBondContact O-N 3.11Å; S55-Y57 PolarHBondContact O-N 3.37Å; Y57-L60 HydrophobicContact CD1-CD2 4.17Å; Y57-S61 PolarHBondContact O-N 2.99Å; Y57-S61 VanDerWaalsContact O-N 3.14Å; Y57-K133 HydrophobicContact CE2-CD 4.27Å; Y57-K133 PolarHBondContact OH-NZ 2.88Å |
| 58 | L | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.1 | -41.3 | 171.1 | -62.6 | 175.5 | 0 | 0 | 0 | 111.5 | S55 N56 S61 L62 A113 I114 D117 I136 L140 I143 | S55-L58 WeakPolarHBondContact O-CB 3.39Å; S55-L58 PolarHBondContact O-N 3.38Å; S55-L58 VanDerWaalsContact O-N 3.17Å; N56-L58 PolarHBondContact O-N 3.14Å; L58-S61 PolarHBondContact O-N 3.26Å; L58-L62 PolarHBondContact O-N 3.02Å; L58-A113 HydrophobicContact CD1-CB 4.37Å; L58-A113 HydrophobicContact CD2-CB 4.22Å; L58-I114 HydrophobicContact CB-CD1 4.18Å; L58-I114 HydrophobicContact CB-CG1 3.59Å; L58-I114 HydrophobicContact CD1-CG1 3.91Å; L58-I114 HydrophobicContact CG-CG1 4.39Å; L58-D117 HydrophobicContact CD1-CB 4.1Å; L58-I136 HydrophobicContact CD1-CD1 4.31Å; L58-I136 HydrophobicContact CD2-CG2 3.99Å; L58-I136 HydrophobicContact CG-CG2 3.97Å; L58-L140 HydrophobicContact CD2-CD2 3.87Å; L58-L140 HydrophobicContact CD2-CG 4.08Å; L58-I143 HydrophobicContact CD2-CD1 4.42Å |
| 59 | I | 95.7 | Very high | 94.1 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 8% | 0.077 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67 | -38.7 | 176.4 | -60.1 | 173.1 | 0 | 0 | 0 | 110.7 | V41 I45 N56 S61 L62 A63 I114 Y1087 F1094 | V41-I59 HydrophobicContact CG1-CG2 4.19Å; I45-I59 HydrophobicContact CD1-CB 4.14Å; I45-I59 HydrophobicContact CD1-CG2 3.88Å; N56-I59 PolarHBondContact O-N 3.45Å; N56-I59 VanDerWaalsContact O-N 3.15Å; I59-S61 VanDerWaalsContact C-N 3.34Å; I59-S61 PolarHBondContact O-N 3.42Å; I59-L62 PolarHBondContact O-N 3.37Å; I59-A63 PolarHBondContact O-N 2.98Å; I59-I114 HydrophobicContact CG1-CD1 4.23Å; I59-Y1087 HydrophobicContact CG2-CE1 4.34Å; I59-Y1087 HydrophobicContact CG2-CE2 4.11Å; I59-Y1087 WeakPolarHBondContact CG2-OH 3.32Å; I59-F1094 HydrophobicContact CD1-CE2 4.38Å; I59-F1094 HydrophobicContact CG2-CZ 4.06Å |
| 60 | L | 96.9 | Very high | 94.5 | Very high | 29 Ų | 29 | 30 Ų | 30 | 15% | 0.152 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.1 | -44.6 | 174.5 | -179.7 | 64.9 | 0 | 0 | 0 | 111.7 | V42 I45 L46 N56 Y57 A63 V64 | V42-L60 HydrophobicContact CB-CD1 4.16Å; V42-L60 HydrophobicContact CG1-CD1 4Å; V42-L60 HydrophobicContact CG2-CD1 4.06Å; I45-L60 HydrophobicContact CB-CD1 4.35Å; I45-L60 HydrophobicContact CD1-CB 3.99Å; I45-L60 HydrophobicContact CD1-CD1 4.49Å; I45-L60 HydrophobicContact CG2-CB 4.26Å; L46-L60 HydrophobicContact CD2-CD2 4.14Å; L46-L60 HydrophobicContact CG-CD1 4.34Å; N56-L60 PolarHBondContact O-N 2.82Å; Y57-L60 HydrophobicContact CD1-CD2 4.17Å; L60-A63 PolarHBondContact O-N 2.68Å; L60-V64 WeakPolarHBondContact O-CG2 3.3Å; L60-V64 PolarHBondContact O-N 2.83Å; L60-V64 VanDerWaalsContact O-N 3.11Å |
| 61 | S | 97.5 | Very high | 95 | Very high | 16 Ų | 16 | 28.3 Ų | 28.3 | 11% | 0.112 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -72.8 | -34.1 | 179.6 | -172.9 | 0 | 0 | 0 | 0 | 112.7 | Y57 L58 I59 V64 A65 H110 L140 W144 | Y57-S61 PolarHBondContact O-N 2.99Å; Y57-S61 VanDerWaalsContact O-N 3.14Å; L58-S61 PolarHBondContact O-N 3.26Å; I59-S61 VanDerWaalsContact C-N 3.34Å; I59-S61 PolarHBondContact O-N 3.42Å; S61-V64 PolarHBondContact O-N 3.1Å; S61-A65 PolarHBondContact O-N 3.37Å; S61-H110 WeakPolarHBondContact CB-NE2 3.41Å; S61-H110 PolarHBondContact OG-CE1 2.98Å; S61-H110 PolarHBondContact OG-NE2 3.49Å; S61-L140 WeakPolarHBondContact OG-CD2 3.23Å; S61-W144 PolarHBondContact OG-NE1 3.31Å; S61-W144 VanDerWaalsContact OG-NE1 3.1Å |
| 62 | L | 96.7 | Very high | 95.3 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 169.3 | 177.6 | 60.4 | 0 | 0 | 0 | 111.4 | L58 I59 V64 A65 D66 S107 H110 L111 I114 | L58-L62 PolarHBondContact O-N 3.02Å; I59-L62 PolarHBondContact O-N 3.37Å; L62-V64 VanDerWaalsContact C-N 3.25Å; L62-V64 PolarHBondContact O-N 3.26Å; L62-A65 WeakPolarHBondContact O-CB 3.5Å; L62-A65 PolarHBondContact O-N 3.14Å; L62-D66 PolarHBondContact O-N 3.29Å; L62-S107 WeakPolarHBondContact CD1-OG 3.34Å; L62-H110 HydrophobicContact CB-CB 4.14Å; L62-H110 HydrophobicContact CD1-CB 4.04Å; L62-L111 HydrophobicContact CD2-CD2 4.1Å; L62-I114 HydrophobicContact CD2-CD1 4.28Å |
| 63 | A | 97.7 | Very high | 95.6 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 3% | 0.025 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.3 | -28.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N38 V41 V42 I59 L60 L67 | N38-A63 HydrophobicContact CB-CB 4.43Å; V41-A63 HydrophobicContact CB-CB 4.11Å; V41-A63 HydrophobicContact CG1-CB 3.75Å; V42-A63 HydrophobicContact CG2-CB 3.96Å; I59-A63 PolarHBondContact O-N 2.98Å; L60-A63 PolarHBondContact O-N 2.68Å; A63-L67 VanDerWaalsContact O-CG 3.26Å; A63-L67 WeakPolarHBondContact O-CG 3.06Å; A63-L67 PolarHBondContact O-N 3.47Å |
| 64 | V | 97.7 | Very high | 96.1 | Very high | 60 Ų | 60 | 21.9 Ų | 21.9 | 36% | 0.364 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -70.8 | -40.1 | 170.5 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | V42 L60 S61 L62 L67 M68 | V42-V64 HydrophobicContact CG2-CG2 4.38Å; L60-V64 WeakPolarHBondContact O-CG2 3.3Å; L60-V64 PolarHBondContact O-N 2.83Å; L60-V64 VanDerWaalsContact O-N 3.11Å; S61-V64 PolarHBondContact O-N 3.1Å; L62-V64 VanDerWaalsContact C-N 3.25Å; L62-V64 PolarHBondContact O-N 3.26Å; V64-L67 PolarHBondContact O-N 3.4Å; V64-M68 WeakPolarHBondContact O-CG 3.27Å; V64-M68 PolarHBondContact O-N 3.19Å |
| 65 | A | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63 | -44.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | S61 L62 L67 M68 V69 W144 | S61-A65 PolarHBondContact O-N 3.37Å; L62-A65 WeakPolarHBondContact O-CB 3.5Å; L62-A65 PolarHBondContact O-N 3.14Å; A65-L67 VanDerWaalsContact C-N 3.29Å; A65-L67 PolarHBondContact O-N 2.84Å; A65-M68 WeakPolarHBondContact O-CA 3.45Å; A65-M68 WeakPolarHBondContact O-CB 3.38Å; A65-M68 PolarHBondContact O-N 2.83Å; A65-V69 WeakPolarHBondContact O-CG2 3.19Å; A65-V69 PolarHBondContact O-N 3.08Å; A65-W144 HydrophobicContact CB-CH2 3.91Å; A65-W144 HydrophobicContact CB-CZ2 4.18Å |
| 66 | D | 97.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.9 | -34.5 | 175.1 | -73.4 | -37.2 | 0 | 0 | 0 | 112.6 | N38 L62 V69 A70 S1080 N1083 | N38-D66 HydrophobicContact CB-CB 4.49Å; L62-D66 PolarHBondContact O-N 3.29Å; D66-V69 PolarHBondContact O-N 3.15Å; D66-A70 PolarHBondContact O-N 2.78Å; D66-A70 VanDerWaalsContact O-N 3.09Å; D66-S1080 WeakPolarHBondContact OD1-CA 3.46Å; D66-S1080 VanDerWaalsContact OD1-CB 3.23Å; D66-S1080 WeakPolarHBondContact OD1-CB 3.4Å; D66-S1080 PolarHBondContact OD1-OG 3.43Å; D66-N1083 PolarHBondContact OD2-ND2 2.99Å |
| 67 | L | 98 | Very high | 96.9 | Very high | 15 Ų | 15 | 23.3 Ų | 23.3 | 8% | 0.079 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.4 | -36.5 | 170.3 | -75 | 169.1 | 0 | 0 | 0 | 112.5 | I35 N38 M39 V42 A63 V64 A65 A70 I71 | I35-L67 HydrophobicContact CB-CD2 4.48Å; I35-L67 HydrophobicContact CG2-CD2 4.27Å; I35-L67 WeakPolarHBondContact O-CD2 3.39Å; N38-L67 HydrophobicContact CB-CD1 4.42Å; N38-L67 HydrophobicContact CB-CD2 3.92Å; N38-L67 HydrophobicContact CB-CG 3.76Å; M39-L67 HydrophobicContact CE-CD1 4.18Å; M39-L67 HydrophobicContact CE-CD2 4.31Å; M39-L67 HydrophobicContact CG-CD1 4.35Å; M39-L67 HydrophobicContact CG-CD2 3.99Å; M39-L67 HydrophobicContact SD-CD1 4.02Å; V42-L67 HydrophobicContact CG2-CD1 4.07Å; A63-L67 VanDerWaalsContact O-CG 3.26Å; A63-L67 WeakPolarHBondContact O-CG 3.06Å; A63-L67 PolarHBondContact O-N 3.47Å; V64-L67 PolarHBondContact O-N 3.4Å; A65-L67 VanDerWaalsContact C-N 3.29Å; A65-L67 PolarHBondContact O-N 2.84Å; L67-A70 PolarHBondContact O-N 3Å; L67-I71 HydrophobicContact CB-CD1 4.48Å; L67-I71 VanDerWaalsContact O-CB 3.32Å; L67-I71 WeakPolarHBondContact O-CB 3.43Å; L67-I71 VanDerWaalsContact O-CG1 3.25Å; L67-I71 WeakPolarHBondContact O-CG1 3.3Å; L67-I71 PolarHBondContact O-N 3.23Å |
| 68 | M | 97.8 | Very high | 97 | Very high | 48 Ų | 48 | 21.9 Ų | 21.9 | 24% | 0.236 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.4 | -40.8 | 174.3 | -70.1 | 173.4 | 62 | 0 | 0 | 111.7 | V64 A65 A70 I71 L72 C103 W144 | V64-M68 WeakPolarHBondContact O-CG 3.27Å; V64-M68 PolarHBondContact O-N 3.19Å; A65-M68 WeakPolarHBondContact O-CA 3.45Å; A65-M68 WeakPolarHBondContact O-CB 3.38Å; A65-M68 PolarHBondContact O-N 2.83Å; M68-A70 PolarHBondContact O-N 2.76Å; M68-I71 PolarHBondContact O-N 2.89Å; M68-L72 HydrophobicContact CB-CD1 4.34Å; M68-L72 HydrophobicContact CE-CD1 4.31Å; M68-L72 HydrophobicContact CG-CD1 4.48Å; M68-L72 VanDerWaalsContact O-CB 3.3Å; M68-L72 WeakPolarHBondContact O-CB 3.28Å; M68-L72 PolarHBondContact O-N 2.89Å; M68-C103 VanDerWaalsContact CB-SG 3.56Å; M68-W144 HydrophobicContact CE-CH2 4.48Å; M68-W144 HydrophobicContact CE-CZ3 4.4Å; M68-W144 HydrophobicContact SD-CH2 3.76Å; M68-W144 HydrophobicContact SD-CZ3 4.24Å |
| 69 | V | 97.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.024 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -56.9 | -52 | 171.3 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | A65 D66 I71 V73 M74 C103 Y1077 | A65-V69 WeakPolarHBondContact O-CG2 3.19Å; A65-V69 PolarHBondContact O-N 3.08Å; D66-V69 PolarHBondContact O-N 3.15Å; V69-I71 VanDerWaalsContact C-N 3.32Å; V69-I71 PolarHBondContact O-N 2.87Å; V69-V73 HydrophobicContact CG1-CB 4.26Å; V69-V73 WeakPolarHBondContact O-CA 3.5Å; V69-V73 WeakPolarHBondContact O-CB 3.5Å; V69-V73 PolarHBondContact O-N 3.5Å; V69-M74 HydrophobicContact CB-CE 4.28Å; V69-M74 HydrophobicContact CG1-CE 3.62Å; V69-M74 HydrophobicContact CG1-CG 3.99Å; V69-M74 PolarHBondContact O-N 3.41Å; V69-C103 HydrophobicContact CG2-CB 3.53Å; V69-Y1077 HydrophobicContact CG1-CD1 3.82Å; V69-Y1077 HydrophobicContact CG1-CE1 4.19Å |
| 70 | A | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -69.8 | -23.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | T34 I35 D66 L67 M68 M74 P75 | T34-A70 HydrophobicContact CG2-CB 3.69Å; I35-A70 HydrophobicContact CG1-CB 3.68Å; D66-A70 PolarHBondContact O-N 2.78Å; D66-A70 VanDerWaalsContact O-N 3.09Å; L67-A70 PolarHBondContact O-N 3Å; M68-A70 PolarHBondContact O-N 2.76Å; A70-M74 HydrophobicContact CB-CE 4.3Å; A70-M74 HydrophobicContact CB-SD 4.25Å; A70-P75 WeakPolarHBondContact O-CD 3.48Å |
| 71 | I | 97.7 | Very high | 96.6 | Very high | 89 Ų | 89 | 25.9 Ų | 25.9 | 46% | 0.456 | 15% | 0.145 | S | C | . | . | I | π-helix | trans | -99.9 | -38.4 | -177.8 | -65 | 169.2 | 0 | 0 | 0 | 112.4 | I35 L67 M68 V69 | I35-I71 HydrophobicContact CD1-CG1 4.02Å; I35-I71 HydrophobicContact CG1-CG1 4.15Å; L67-I71 HydrophobicContact CB-CD1 4.48Å; L67-I71 VanDerWaalsContact O-CB 3.32Å; L67-I71 WeakPolarHBondContact O-CB 3.43Å; L67-I71 VanDerWaalsContact O-CG1 3.25Å; L67-I71 WeakPolarHBondContact O-CG1 3.3Å; L67-I71 PolarHBondContact O-N 3.23Å; M68-I71 PolarHBondContact O-N 2.89Å; V69-I71 VanDerWaalsContact C-N 3.32Å; V69-I71 PolarHBondContact O-N 2.87Å |
| 72 | L | 96.5 | Very high | 96.4 | Very high | 77 Ų | 77 | 25.4 Ų | 25.4 | 40% | 0.403 | 14% | 0.141 | S | C | . | . | I | π-helix | trans | -103.4 | -29.8 | -172.9 | -55.7 | 176.5 | 0 | 0 | 0 | 113.4 | M68 M99 | M68-L72 HydrophobicContact CB-CD1 4.34Å; M68-L72 HydrophobicContact CE-CD1 4.31Å; M68-L72 HydrophobicContact CG-CD1 4.48Å; M68-L72 VanDerWaalsContact O-CB 3.3Å; M68-L72 WeakPolarHBondContact O-CB 3.28Å; M68-L72 PolarHBondContact O-N 2.89Å; L72-M99 HydrophobicContact CD1-SD 4.14Å |
| 73 | V | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -102.8 | -64.1 | -171.3 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | V69 P75 V76 S77 M99 D100 Y1077 | V69-V73 HydrophobicContact CG1-CB 4.26Å; V69-V73 WeakPolarHBondContact O-CA 3.5Å; V69-V73 WeakPolarHBondContact O-CB 3.5Å; V69-V73 PolarHBondContact O-N 3.5Å; V73-P75 VanDerWaalsContact C-CD 3.43Å; V73-V76 PolarHBondContact O-N 2.91Å; V73-S77 PolarHBondContact O-N 2.94Å; V73-S77 PolarHBondContact O-OG 3.31Å; V73-S77 VanDerWaalsContact O-OG 3.09Å; V73-M99 HydrophobicContact CG2-CB 4.14Å; V73-D100 HydrophobicContact CG1-CB 3.89Å; V73-D100 VanDerWaalsContact CG1-OD1 3.24Å; V73-D100 WeakPolarHBondContact CG1-OD1 3.36Å; V73-D100 HydrophobicContact CG2-CB 4.42Å; V73-Y1077 HydrophobicContact CG1-CE1 3.8Å; V73-Y1077 VanDerWaalsContact CG1-OH 3.26Å; V73-Y1077 WeakPolarHBondContact CG1-OH 3.46Å |
| 74 | M | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -54.2 | -38.4 | -173.7 | -60.7 | -174.4 | -165.4 | 0 | 0 | 114.7 | I31 T34 V69 A70 V76 S77 A78 W1074 Y1077 | I31-M74 HydrophobicContact CD1-CB 3.89Å; I31-M74 HydrophobicContact CG1-CB 3.63Å; I31-M74 HydrophobicContact CG1-CG 4.46Å; I31-M74 HydrophobicContact CG1-SD 4.02Å; T34-M74 HydrophobicContact CG2-CE 3.97Å; V69-M74 HydrophobicContact CB-CE 4.28Å; V69-M74 HydrophobicContact CG1-CE 3.62Å; V69-M74 HydrophobicContact CG1-CG 3.99Å; V69-M74 PolarHBondContact O-N 3.41Å; A70-M74 HydrophobicContact CB-CE 4.3Å; A70-M74 HydrophobicContact CB-SD 4.25Å; M74-V76 VanDerWaalsContact C-N 3.32Å; M74-V76 PolarHBondContact O-N 2.93Å; M74-S77 PolarHBondContact O-N 2.84Å; M74-A78 VanDerWaalsContact O-CB 3.25Å; M74-A78 WeakPolarHBondContact O-CB 3.33Å; M74-A78 PolarHBondContact O-N 3.26Å; M74-W1074 HydrophobicContact CB-CH2 4.14Å; M74-W1074 HydrophobicContact CB-CZ3 4.26Å; M74-W1074 HydrophobicContact CG-CZ3 4.34Å; M74-W1074 HydrophobicContact SD-CZ3 4.43Å; M74-Y1077 WeakPolarHBondContact CE-O 3.32Å; M74-Y1077 HydrophobicContact CG-CD2 4.35Å; M74-Y1077 HydrophobicContact CG-CG 4.22Å |
| 75 | P | 96.8 | Very high | 95.4 | Very high | 46 Ų | 46 | 30.6 Ų | 30.6 | 30% | 0.299 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -66.8 | -34 | 178 | -21.8 | 35.5 | 0 | 0 | 0 | 112.8 | I31 A70 V73 L79 | I31-P75 HydrophobicContact CD1-CG 4.4Å; A70-P75 WeakPolarHBondContact O-CD 3.48Å; V73-P75 VanDerWaalsContact C-CD 3.43Å; P75-L79 WeakPolarHBondContact O-CG 3.38Å; P75-L79 PolarHBondContact O-N 2.97Å |
| 76 | V | 95.5 | Very high | 95 | Very high | 35 Ų | 35 | 30.7 Ų | 30.7 | 21% | 0.212 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -75.8 | -41.5 | 176.8 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | V73 M74 A78 L79 N80 W86 L88 W96 | V73-V76 PolarHBondContact O-N 2.91Å; M74-V76 VanDerWaalsContact C-N 3.32Å; M74-V76 PolarHBondContact O-N 2.93Å; V76-A78 VanDerWaalsContact C-N 3.29Å; V76-A78 PolarHBondContact O-N 3.12Å; V76-L79 PolarHBondContact O-N 3.3Å; V76-N80 PolarHBondContact O-N 2.86Å; V76-W86 HydrophobicContact CG1-CH2 3.48Å; V76-W86 VanDerWaalsContact CG1-CH2 3.48Å; V76-W86 HydrophobicContact CG1-CZ3 3.84Å; V76-L88 HydrophobicContact CG1-CD1 4.27Å; V76-W96 HydrophobicContact CB-CG 4.09Å; V76-W96 HydrophobicContact CG1-CB 3.98Å; V76-W96 HydrophobicContact CG1-CD2 3.9Å; V76-W96 HydrophobicContact CG1-CG 3.58Å |
| 77 | S | 95.3 | Very high | 94.6 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.9 | -38.2 | 171.8 | -47.7 | 0 | 0 | 0 | 0 | 111.8 | V73 M74 N80 E81 W96 Y1077 | V73-S77 PolarHBondContact O-N 2.94Å; V73-S77 PolarHBondContact O-OG 3.31Å; V73-S77 VanDerWaalsContact O-OG 3.09Å; M74-S77 PolarHBondContact O-N 2.84Å; S77-N80 PolarHBondContact O-N 3.24Å; S77-E81 WeakPolarHBondContact O-CB 3.36Å; S77-E81 PolarHBondContact O-N 3.43Å; S77-W96 WeakPolarHBondContact OG-CZ2 3.46Å; S77-W96 PolarHBondContact OG-NE1 2.84Å; S77-Y1077 WeakPolarHBondContact OG-CE2 3.3Å; S77-Y1077 PolarHBondContact OG-OH 3.35Å |
| 78 | A | 96 | Very high | 94.2 | Very high | 16 Ų | 16 | 36.4 Ų | 36.4 | 13% | 0.132 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.8 | -36.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L27 I31 M74 V76 E81 V82 W1074 | L27-A78 HydrophobicContact CB-CB 4.26Å; L27-A78 HydrophobicContact CD1-CB 3.87Å; I31-A78 HydrophobicContact CD1-CB 4.37Å; M74-A78 VanDerWaalsContact O-CB 3.25Å; M74-A78 WeakPolarHBondContact O-CB 3.33Å; M74-A78 PolarHBondContact O-N 3.26Å; V76-A78 VanDerWaalsContact C-N 3.29Å; V76-A78 PolarHBondContact O-N 3.12Å; A78-E81 WeakPolarHBondContact O-CB 3.31Å; A78-V82 WeakPolarHBondContact O-CG2 3.49Å; A78-V82 PolarHBondContact O-N 3.48Å; A78-W1074 HydrophobicContact CB-CH2 4Å; A78-W1074 HydrophobicContact CB-CZ2 3.91Å |
| 79 | L | 94.1 | Very high | 93.7 | Very high | 74 Ų | 74 | 34.9 Ų | 34.9 | 39% | 0.387 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.8 | -43.8 | 171.1 | -75.4 | 171 | 0 | 0 | 0 | 111.2 | P75 V76 V82 S83 L88 | P75-L79 WeakPolarHBondContact O-CG 3.38Å; P75-L79 PolarHBondContact O-N 2.97Å; V76-L79 PolarHBondContact O-N 3.3Å; L79-V82 PolarHBondContact O-N 2.82Å; L79-S83 WeakPolarHBondContact O-CB 3.4Å; L79-S83 PolarHBondContact O-N 3.07Å; L79-S83 PolarHBondContact O-OG 2.94Å; L79-S83 VanDerWaalsContact O-OG 3.06Å; L79-L88 HydrophobicContact CD1-CD1 4.5Å |
| 80 | N | 92.7 | Very high | 93.1 | Very high | 40 Ų | 40 | 36 Ų | 36 | 21% | 0.214 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 175.7 | -175.7 | 65.8 | 0 | 0 | 0 | 111.7 | V76 S77 V82 S83 W86 W96 R1066 | V76-N80 PolarHBondContact O-N 2.86Å; S77-N80 PolarHBondContact O-N 3.24Å; N80-V82 VanDerWaalsContact C-N 3.33Å; N80-V82 PolarHBondContact O-N 3.08Å; N80-S83 WeakPolarHBondContact CA-OG 3.49Å; N80-S83 PolarHBondContact O-N 3.19Å; N80-S83 PolarHBondContact O-OG 3.08Å; N80-S83 VanDerWaalsContact O-OG 3.07Å; N80-W86 HydrophobicContact CB-CE3 4.16Å; N80-W86 HydrophobicContact CB-CZ3 4.16Å; N80-W96 HydrophobicContact CB-CH2 4.14Å; N80-R1066 PolarHBondContact O-NH2 2.82Å |
| 81 | E | 93.1 | Very high | 92.6 | Very high | 14 Ų | 14 | 40.1 Ų | 40.1 | 7% | 0.065 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -52.4 | -49.5 | 176.9 | -170.5 | 69.7 | -109.1 | 0 | 0 | 112 | T23 L27 S77 A78 R1066 S1070 W1074 | T23-E81 HydrophobicContact CG2-CG 4.33Å; L27-E81 HydrophobicContact CD1-CB 4.26Å; L27-E81 HydrophobicContact CD1-CG 4.14Å; S77-E81 WeakPolarHBondContact O-CB 3.36Å; S77-E81 PolarHBondContact O-N 3.43Å; A78-E81 WeakPolarHBondContact O-CB 3.31Å; E81-R1066 PolarHBondContact O-NH2 3.49Å; E81-S1070 VanDerWaalsContact CD-OG 3.26Å; E81-S1070 VanDerWaalsContact OE1-CB 3.24Å; E81-S1070 WeakPolarHBondContact OE1-CB 3.25Å; E81-S1070 PolarHBondContact OE1-OG 3.34Å; E81-S1070 VanDerWaalsContact OE2-CB 3.23Å; E81-S1070 WeakPolarHBondContact OE2-CB 3.49Å; E81-S1070 PolarHBondContact OE2-OG 2.93Å; E81-W1074 VanDerWaalsContact OE2-CD1 3.28Å; E81-W1074 PolarHBondContact OE2-NE1 2.92Å |
| 82 | V | 94 | Very high | 92.3 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -87.1 | -16.3 | -173.9 | -58.1 | 0 | 0 | 0 | 0 | 114.4 | F11 P13 L14 L20 T23 A78 L79 N80 | F11-V82 HydrophobicContact CE2-CG2 4.18Å; F11-V82 HydrophobicContact CZ-CG2 4.36Å; P13-V82 WeakPolarHBondContact CA-O 3.34Å; L14-V82 PolarHBondContact N-O 3.48Å; L20-V82 HydrophobicContact CD1-CB 3.66Å; L20-V82 HydrophobicContact CD1-CG1 4.22Å; L20-V82 HydrophobicContact CD1-CG2 4.19Å; T23-V82 HydrophobicContact CG2-CG1 3.72Å; A78-V82 WeakPolarHBondContact O-CG2 3.49Å; A78-V82 PolarHBondContact O-N 3.48Å; L79-V82 PolarHBondContact O-N 2.82Å; N80-V82 VanDerWaalsContact C-N 3.33Å; N80-V82 PolarHBondContact O-N 3.08Å |
| 83 | S | 92.3 | Very high | 92 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -83.4 | 137 | 170.9 | 62.2 | 0 | 0 | 0 | 0 | 111.4 | V12 L79 N80 K85 R1066 | V12-S83 CarbonylContact O-C 3.54Å; V12-S83 WeakPolarHBondContact O-CA 3.37Å; L79-S83 WeakPolarHBondContact O-CB 3.4Å; L79-S83 PolarHBondContact O-N 3.07Å; L79-S83 PolarHBondContact O-OG 2.94Å; L79-S83 VanDerWaalsContact O-OG 3.06Å; N80-S83 WeakPolarHBondContact CA-OG 3.49Å; N80-S83 PolarHBondContact O-N 3.19Å; N80-S83 PolarHBondContact O-OG 3.08Å; N80-S83 VanDerWaalsContact O-OG 3.07Å; S83-K85 VanDerWaalsContact C-N 3.28Å; S83-K85 WeakPolarHBondContact CB-O 3.43Å; S83-K85 PolarHBondContact O-N 3.27Å; S83-K85 PolarHBondContact OG-O 3.36Å; S83-R1066 PolarHBondContact O-NH2 3.15Å |
| 84 | E | 89.5 | Confident | 91.5 | Very high | 91 Ų | 91 | 36.8 Ų | 36.8 | 43% | 0.425 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -57.2 | -47.4 | 168.7 | -169.9 | -163 | 139.6 | 0 | 0 | 110.2 | V12 L14 R1066 | V12-E84 HydrophobicContact CB-CB 4.27Å; V12-E84 HydrophobicContact CG1-CB 4.36Å; V12-E84 WeakPolarHBondContact CG1-OE2 3.32Å; V12-E84 PolarHBondContact O-N 3.31Å; L14-E84 HydrophobicContact CD1-CG 4.42Å; E84-R1066 PolarHBondContact O-NH1 3.3Å |
| 85 | K | 88.8 | Confident | 91.2 | Very high | 81 Ų | 81 | 41 Ų | 41 | 35% | 0.352 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -127.6 | 148.2 | -175.6 | -63.3 | -171.2 | 177.1 | -141.9 | 0 | 112.8 | V9 S83 W87 V171 G172 | V9-K85 HydrophobicContact CG1-CB 4.06Å; S83-K85 VanDerWaalsContact C-N 3.28Å; S83-K85 WeakPolarHBondContact CB-O 3.43Å; S83-K85 PolarHBondContact O-N 3.27Å; S83-K85 PolarHBondContact OG-O 3.36Å; K85-W87 PolarHBondContact O-N 2.77Å; K85-V171 PolarHBondContact NZ-O 2.81Å; K85-G172 CarbonylContact C-O 3.57Å; K85-G172 WeakPolarHBondContact CA-O 3.39Å |
| 86 | W | 89.7 | Confident | 91 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | trans | -68.3 | 108.8 | 171.4 | -177.3 | -86.4 | 0 | 0 | 0 | 111.4 | V76 N80 L88 G89 L92 C93 W96 G172 C174 | V76-W86 HydrophobicContact CG1-CH2 3.48Å; V76-W86 VanDerWaalsContact CG1-CH2 3.48Å; V76-W86 HydrophobicContact CG1-CZ3 3.84Å; N80-W86 HydrophobicContact CB-CE3 4.16Å; N80-W86 HydrophobicContact CB-CZ3 4.16Å; W86-L88 HydrophobicContact CD2-CB 4.47Å; W86-L88 HydrophobicContact CH2-CB 4.45Å; W86-L88 HydrophobicContact CH2-CD1 4.04Å; W86-L88 HydrophobicContact CZ2-CB 3.69Å; W86-L88 HydrophobicContact CZ2-CD1 4.11Å; W86-L88 HydrophobicContact CZ2-CG 4.47Å; W86-L88 HydrophobicContact CZ3-CD1 4.41Å; W86-G89 PolarHBondContact NE1-O 2.91Å; W86-L92 HydrophobicContact CZ2-CB 4.07Å; W86-C93 VanDerWaalsContact CZ2-CA 3.49Å; W86-C93 HydrophobicContact CZ2-CB 3.86Å; W86-W96 HydrophobicContact CE3-CE3 4.21Å; W86-W96 HydrophobicContact CE3-CZ3 4.07Å; W86-W96 HydrophobicContact CH2-CB 4.22Å; W86-W96 AromaticContact CH2-CD2 3.99Å; W86-W96 HydrophobicContact CH2-CD2 3.99Å; W86-W96 AromaticContact CH2-CE3 3.51Å; W86-W96 HydrophobicContact CH2-CE3 3.51Å; W86-W96 HydrophobicContact CH2-CG 4.31Å; W86-W96 HydrophobicContact CH2-CZ3 4.2Å; W86-W96 AromaticContact CZ3-CD2 3.97Å; W86-W96 HydrophobicContact CZ3-CD2 3.97Å; W86-W96 AromaticContact CZ3-CE3 3.31Å; W86-W96 HydrophobicContact CZ3-CE3 3.31Å; W86-W96 HydrophobicContact CZ3-CH2 4.31Å; W86-W96 AromaticContact CZ3-CZ3 3.51Å; W86-W96 HydrophobicContact CZ3-CZ3 3.51Å; W86-G172 PolarHBondContact N-O 3.5Å; W86-C174 HydrophobicContact CB-CB 3.96Å; W86-C174 HydrophobicContact CD2-CB 3.35Å; W86-C174 HydrophobicContact CE3-CB 3.57Å; W86-C174 HydrophobicContact CG-CB 3.52Å; W86-C174 HydrophobicContact CZ3-CB 4.22Å | ||
| 87 | W | 88.9 | Confident | 90.8 | Very high | 98 Ų | 98 | 39 Ų | 39 | 37% | 0.371 | 20% | 0.202 | S | C | . | . | trans | -106.7 | -5.4 | -176.2 | 63.2 | -79.7 | 0 | 0 | 0 | 113.4 | V9 F11 K85 G89 | V9-W87 HydrophobicContact CB-CB 4.49Å; V9-W87 HydrophobicContact CG1-CB 4.01Å; V9-W87 WeakPolarHBondContact O-CB 3.47Å; F11-W87 HydrophobicContact CB-CD2 4.01Å; F11-W87 HydrophobicContact CB-CG 4.24Å; F11-W87 HydrophobicContact CB-CZ2 4.23Å; F11-W87 AromaticContact CD2-NE1 3.56Å; K85-W87 PolarHBondContact O-N 2.77Å; W87-G89 PolarHBondContact O-N 3.28Å | ||
| 88 | L | 90.2 | Very high | 90.6 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 20% | 0.199 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -80.3 | -0.1 | -175.9 | -62.8 | 175.3 | 0 | 0 | 0 | 113.9 | V76 L79 W86 L92 | V76-L88 HydrophobicContact CG1-CD1 4.27Å; L79-L88 HydrophobicContact CD1-CD1 4.5Å; W86-L88 HydrophobicContact CD2-CB 4.47Å; W86-L88 HydrophobicContact CH2-CB 4.45Å; W86-L88 HydrophobicContact CH2-CD1 4.04Å; W86-L88 HydrophobicContact CZ2-CB 3.69Å; W86-L88 HydrophobicContact CZ2-CD1 4.11Å; W86-L88 HydrophobicContact CZ2-CG 4.47Å; W86-L88 HydrophobicContact CZ3-CD1 4.41Å; L88-L92 HydrophobicContact CB-CB 4.09Å; L88-L92 HydrophobicContact CB-CD1 3.9Å; L88-L92 HydrophobicContact CD2-CD1 4.36Å |
| 89 | G | 86.8 | Confident | 90.5 | Very high | 15 Ų | 15 | 41.8 Ų | 41.8 | 16% | 0.155 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | 73.1 | 174.3 | 177 | 0 | 0 | 0 | 0 | 0 | 115.1 | W86 W87 C93 | W86-G89 PolarHBondContact NE1-O 2.91Å; W87-G89 PolarHBondContact O-N 3.28Å; G89-C93 PolarHBondContact O-N 3.49Å |
| 90 | V | 84.9 | Confident | 90.5 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 18% | 0.176 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.4 | -44.4 | -172.4 | 178.1 | 0 | 0 | 0 | 0 | 113.7 | L92 C93 D94 L164 V168 Y169 | V90-L92 VanDerWaalsContact C-N 3.33Å; V90-L92 PolarHBondContact O-N 2.91Å; V90-C93 WeakPolarHBondContact O-CB 3.2Å; V90-C93 PolarHBondContact O-N 3.31Å; V90-C93 VanDerWaalsContact O-N 3.07Å; V90-D94 PolarHBondContact O-N 3.41Å; V90-L164 HydrophobicContact CG1-CD2 3.75Å; V90-L164 HydrophobicContact CG1-CG 4.42Å; V90-V168 HydrophobicContact CG2-CB 3.8Å; V90-V168 HydrophobicContact CG2-CG1 3.65Å; V90-V168 HydrophobicContact CG2-CG2 4.2Å; V90-Y169 HydrophobicContact CG2-CD2 4.08Å; V90-Y169 HydrophobicContact CG2-CE2 3.62Å |
| 91 | P | 87.7 | Confident | 90.4 | Very high | 85 Ų | 85 | 38.7 Ų | 38.7 | 55% | 0.552 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -62.9 | -36.2 | -175.8 | -24.7 | 35.7 | 0 | 0 | 0 | 113.8 | I95 | P91-I95 WeakPolarHBondContact O-CB 3.49Å; P91-I95 WeakPolarHBondContact O-CD1 3.42Å; P91-I95 VanDerWaalsContact O-CG1 3.23Å; P91-I95 WeakPolarHBondContact O-CG1 3.42Å; P91-I95 PolarHBondContact O-N 3.16Å; P91-I95 VanDerWaalsContact O-N 3.1Å |
| 92 | L | 90.6 | Very high | 90.5 | Very high | 77 Ų | 77 | 38.6 Ų | 38.6 | 40% | 0.403 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -75.6 | -29.9 | 175.3 | -71.6 | 174.8 | 0 | 0 | 0 | 111.9 | W86 L88 V90 I95 W96 | W86-L92 HydrophobicContact CZ2-CB 4.07Å; L88-L92 HydrophobicContact CB-CB 4.09Å; L88-L92 HydrophobicContact CB-CD1 3.9Å; L88-L92 HydrophobicContact CD2-CD1 4.36Å; V90-L92 VanDerWaalsContact C-N 3.33Å; V90-L92 PolarHBondContact O-N 2.91Å; L92-I95 PolarHBondContact O-N 3.4Å; L92-W96 WeakPolarHBondContact O-CB 3.28Å; L92-W96 PolarHBondContact O-N 3.22Å |
| 93 | C | 90.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.1 | -47.3 | 173.6 | 179.8 | 0 | 0 | 0 | 0 | 111.1 | W86 G89 V90 W96 I97 V168 C174 | W86-C93 VanDerWaalsContact CZ2-CA 3.49Å; W86-C93 HydrophobicContact CZ2-CB 3.86Å; G89-C93 PolarHBondContact O-N 3.49Å; V90-C93 WeakPolarHBondContact O-CB 3.2Å; V90-C93 PolarHBondContact O-N 3.31Å; V90-C93 VanDerWaalsContact O-N 3.07Å; C93-W96 PolarHBondContact O-N 3.15Å; C93-I97 WeakPolarHBondContact O-CG1 3.35Å; C93-I97 PolarHBondContact O-N 3.16Å; C93-I97 VanDerWaalsContact O-N 3.07Å; C93-V168 HydrophobicContact CB-CG2 4.35Å; C93-C174 WeakPolarHBondContact CA-SG 3.26Å; C93-C174 HydrophobicContact CB-CB 3.94Å; C93-C174 WeakPolarHBondContact CB-SG 3.37Å; C93-C174 VanDerWaalsContact SG-CA 3.55Å; C93-C174 WeakPolarHBondContact SG-CB 3.39Å; C93-C174 CovalentContact SG-SG 2.03Å; C93-C174 PolarHBondContact SG-SG 3.17Å |
| 94 | D | 87.8 | Confident | 90.6 | Very high | 20 Ų | 20 | 38.7 Ų | 38.7 | 11% | 0.107 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54.8 | -53.5 | 171.5 | -99.7 | 8.8 | 0 | 0 | 0 | 111.5 | V90 W96 I97 I98 R155 R160 | V90-D94 PolarHBondContact O-N 3.41Å; D94-W96 PolarHBondContact O-N 3.28Å; D94-I97 PolarHBondContact O-N 3.41Å; D94-I98 HydrophobicContact CB-CD1 4.45Å; D94-I98 WeakPolarHBondContact O-CB 3.31Å; D94-I98 VanDerWaalsContact O-CD1 3.24Å; D94-I98 WeakPolarHBondContact O-CD1 3.46Å; D94-I98 WeakPolarHBondContact O-CG1 3.33Å; D94-I98 PolarHBondContact O-N 2.97Å; D94-R155 IonicContact OD2-NE 2.87Å; D94-R155 PolarHBondContact OD2-NE 3.42Å; D94-R160 IonicContact OD1-CZ 3.29Å; D94-R160 IonicContact OD1-NE 2.88Å; D94-R160 PolarHBondContact OD1-NE 3.19Å; D94-R160 IonicContact OD1-NH2 2.74Å; D94-R160 PolarHBondContact OD1-NH2 3.39Å |
| 95 | I | 90.2 | Very high | 90.8 | Very high | 87 Ų | 87 | 34.5 Ų | 34.5 | 45% | 0.446 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63 | -42.6 | -176.7 | -70.2 | 165.8 | 0 | 0 | 0 | 111.4 | P91 L92 I98 M99 | P91-I95 WeakPolarHBondContact O-CB 3.49Å; P91-I95 WeakPolarHBondContact O-CD1 3.42Å; P91-I95 VanDerWaalsContact O-CG1 3.23Å; P91-I95 WeakPolarHBondContact O-CG1 3.42Å; P91-I95 PolarHBondContact O-N 3.16Å; P91-I95 VanDerWaalsContact O-N 3.1Å; L92-I95 PolarHBondContact O-N 3.4Å; I95-I98 PolarHBondContact O-N 2.87Å; I95-M99 HydrophobicContact CG2-CG 4.2Å; I95-M99 VanDerWaalsContact O-CB 3.31Å; I95-M99 WeakPolarHBondContact O-CB 3.29Å; I95-M99 WeakPolarHBondContact O-CG 3.39Å; I95-M99 PolarHBondContact O-N 3.23Å |
| 96 | W | 93.3 | Very high | 91.2 | Very high | 26 Ų | 26 | 30.7 Ų | 30.7 | 10% | 0.098 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.1 | -50 | 179 | 176.8 | 49.1 | 0 | 0 | 0 | 111.7 | V76 S77 N80 W86 L92 C93 D94 I98 M99 D100 C174 | V76-W96 HydrophobicContact CB-CG 4.09Å; V76-W96 HydrophobicContact CG1-CB 3.98Å; V76-W96 HydrophobicContact CG1-CD2 3.9Å; V76-W96 HydrophobicContact CG1-CG 3.58Å; S77-W96 WeakPolarHBondContact OG-CZ2 3.46Å; S77-W96 PolarHBondContact OG-NE1 2.84Å; N80-W96 HydrophobicContact CB-CH2 4.14Å; W86-W96 HydrophobicContact CE3-CE3 4.21Å; W86-W96 HydrophobicContact CE3-CZ3 4.07Å; W86-W96 HydrophobicContact CH2-CB 4.22Å; W86-W96 AromaticContact CH2-CD2 3.99Å; W86-W96 HydrophobicContact CH2-CD2 3.99Å; W86-W96 AromaticContact CH2-CE3 3.51Å; W86-W96 HydrophobicContact CH2-CE3 3.51Å; W86-W96 HydrophobicContact CH2-CG 4.31Å; W86-W96 HydrophobicContact CH2-CZ3 4.2Å; W86-W96 AromaticContact CZ3-CD2 3.97Å; W86-W96 HydrophobicContact CZ3-CD2 3.97Å; W86-W96 AromaticContact CZ3-CE3 3.31Å; W86-W96 HydrophobicContact CZ3-CE3 3.31Å; W86-W96 HydrophobicContact CZ3-CH2 4.31Å; W86-W96 AromaticContact CZ3-CZ3 3.51Å; W86-W96 HydrophobicContact CZ3-CZ3 3.51Å; L92-W96 WeakPolarHBondContact O-CB 3.28Å; L92-W96 PolarHBondContact O-N 3.22Å; C93-W96 PolarHBondContact O-N 3.15Å; D94-W96 PolarHBondContact O-N 3.28Å; W96-I98 PolarHBondContact O-N 3Å; W96-M99 PolarHBondContact O-N 3.33Å; W96-D100 WeakPolarHBondContact O-CB 3.45Å; W96-D100 PolarHBondContact O-N 3.14Å; W96-C174 VanDerWaalsContact CE3-SG 3.57Å; W96-C174 HydrophobicContact CZ3-CB 4.17Å |
| 97 | I | 90.1 | Very high | 91.4 | Very high | 14 Ų | 14 | 30.7 Ų | 30.7 | 7% | 0.072 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62 | -44.2 | 178 | -67.5 | 167.5 | 0 | 0 | 0 | 111.2 | C93 D94 M99 V101 T154 N175 I176 | C93-I97 WeakPolarHBondContact O-CG1 3.35Å; C93-I97 PolarHBondContact O-N 3.16Å; C93-I97 VanDerWaalsContact O-N 3.07Å; D94-I97 PolarHBondContact O-N 3.41Å; I97-M99 VanDerWaalsContact C-N 3.33Å; I97-M99 PolarHBondContact O-N 2.89Å; I97-V101 WeakPolarHBondContact O-CG2 3.38Å; I97-V101 PolarHBondContact O-N 3.11Å; I97-V101 VanDerWaalsContact O-N 3.09Å; I97-T154 HydrophobicContact CG2-CG2 4.21Å; I97-N175 VanDerWaalsContact CD1-O 3.25Å; I97-N175 WeakPolarHBondContact CD1-O 3.28Å; I97-I176 HydrophobicContact CG2-CD1 4.36Å; I97-I176 HydrophobicContact CG2-CG1 4.28Å |
| 98 | I | 91.7 | Very high | 91.7 | Very high | 21 Ų | 21 | 26 Ų | 26 | 11% | 0.108 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 178 | -66.8 | 159.9 | 0 | 0 | 0 | 110.8 | D94 I95 W96 L102 T154 R155 | D94-I98 HydrophobicContact CB-CD1 4.45Å; D94-I98 WeakPolarHBondContact O-CB 3.31Å; D94-I98 VanDerWaalsContact O-CD1 3.24Å; D94-I98 WeakPolarHBondContact O-CD1 3.46Å; D94-I98 WeakPolarHBondContact O-CG1 3.33Å; D94-I98 PolarHBondContact O-N 2.97Å; I95-I98 PolarHBondContact O-N 2.87Å; W96-I98 PolarHBondContact O-N 3Å; I98-L102 WeakPolarHBondContact O-CB 3.22Å; I98-L102 PolarHBondContact O-N 2.83Å; I98-T154 WeakPolarHBondContact CG1-OG1 3.31Å; I98-R155 HydrophobicContact CD1-CB 3.95Å; I98-R155 HydrophobicContact CD1-CG 4.19Å |
| 99 | M | 93.5 | Very high | 92 | Very high | 56 Ų | 56 | 25.3 Ų | 25.3 | 28% | 0.276 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -73.5 | -37.9 | -178.2 | -70.3 | -66.8 | 169.8 | 0 | 0 | 112.8 | L72 V73 I95 W96 I97 L102 C103 | L72-M99 HydrophobicContact CD1-SD 4.14Å; V73-M99 HydrophobicContact CG2-CB 4.14Å; I95-M99 HydrophobicContact CG2-CG 4.2Å; I95-M99 VanDerWaalsContact O-CB 3.31Å; I95-M99 WeakPolarHBondContact O-CB 3.29Å; I95-M99 WeakPolarHBondContact O-CG 3.39Å; I95-M99 PolarHBondContact O-N 3.23Å; W96-M99 PolarHBondContact O-N 3.33Å; I97-M99 VanDerWaalsContact C-N 3.33Å; I97-M99 PolarHBondContact O-N 2.89Å; M99-L102 HydrophobicContact SD-CD2 4.1Å; M99-C103 WeakPolarHBondContact O-CB 3.3Å; M99-C103 PolarHBondContact O-N 3.43Å; M99-C103 PolarHBondContact O-SG 2.88Å |
| 100 | D | 93.8 | Very high | 92.5 | Very high | 25 Ų | 25 | 24.6 Ų | 24.6 | 13% | 0.134 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.2 | -58.4 | 173.5 | -177.3 | 83.6 | 0 | 0 | 0 | 110.5 | V73 W96 L102 C103 C104 Y1077 | V73-D100 HydrophobicContact CG1-CB 3.89Å; V73-D100 VanDerWaalsContact CG1-OD1 3.24Å; V73-D100 WeakPolarHBondContact CG1-OD1 3.36Å; V73-D100 HydrophobicContact CG2-CB 4.42Å; W96-D100 WeakPolarHBondContact O-CB 3.45Å; W96-D100 PolarHBondContact O-N 3.14Å; D100-L102 VanDerWaalsContact C-N 3.3Å; D100-L102 PolarHBondContact O-N 3.42Å; D100-C103 PolarHBondContact O-N 3.2Å; D100-C104 WeakPolarHBondContact O-CB 3.37Å; D100-C104 PolarHBondContact O-N 3.42Å; D100-C104 PolarHBondContact O-SG 2.98Å; D100-Y1077 VanDerWaalsContact OD1-CE1 3.22Å; D100-Y1077 WeakPolarHBondContact OD1-CE1 3.35Å; D100-Y1077 PolarHBondContact OD1-OH 3.26Å |
| 101 | V | 92 | Very high | 92.9 | Very high | 24 Ų | 24 | 23.3 Ų | 23.3 | 15% | 0.145 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.2 | -40.8 | 178.6 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | I97 T105 T154 | I97-V101 WeakPolarHBondContact O-CG2 3.38Å; I97-V101 PolarHBondContact O-N 3.11Å; I97-V101 VanDerWaalsContact O-N 3.09Å; V101-T105 WeakPolarHBondContact O-CB 3.47Å; V101-T105 PolarHBondContact O-N 2.89Å; V101-T105 PolarHBondContact O-OG1 2.8Å; V101-T154 HydrophobicContact CG2-CG2 4.3Å |
| 102 | L | 94.3 | Very high | 93.3 | Very high | 11 Ų | 11 | 19.8 Ų | 19.8 | 6% | 0.058 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61 | -49.6 | 176.7 | 174.8 | 61.1 | 0 | 0 | 0 | 112.4 | I98 M99 D100 S106 L148 | I98-L102 WeakPolarHBondContact O-CB 3.22Å; I98-L102 PolarHBondContact O-N 2.83Å; M99-L102 HydrophobicContact SD-CD2 4.1Å; D100-L102 VanDerWaalsContact C-N 3.3Å; D100-L102 PolarHBondContact O-N 3.42Å; L102-S106 WeakPolarHBondContact O-CB 3.49Å; L102-S106 PolarHBondContact O-N 2.9Å; L102-L148 HydrophobicContact CD1-CD2 3.76Å; L102-L148 HydrophobicContact CD1-CG 3.86Å; L102-L148 HydrophobicContact CD2-CD2 3.92Å |
| 103 | C | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -72.1 | -39.4 | -174.9 | -63.3 | 0 | 0 | 0 | 0 | 111.6 | M68 V69 M99 D100 S106 S107 | M68-C103 VanDerWaalsContact CB-SG 3.56Å; V69-C103 HydrophobicContact CG2-CB 3.53Å; M99-C103 WeakPolarHBondContact O-CB 3.3Å; M99-C103 PolarHBondContact O-N 3.43Å; M99-C103 PolarHBondContact O-SG 2.88Å; D100-C103 PolarHBondContact O-N 3.2Å; C103-S106 PolarHBondContact O-N 3.5Å; C103-S107 WeakPolarHBondContact O-CB 3.23Å; C103-S107 PolarHBondContact O-N 2.86Å |
| 104 | C | 93.2 | Very high | 93.8 | Very high | 11 Ų | 11 | 16.6 Ų | 16.6 | 7% | 0.074 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.2 | -42.4 | 177.7 | -62.6 | 0 | 0 | 0 | 0 | 111.7 | D100 S106 S107 I108 W1045 | D100-C104 WeakPolarHBondContact O-CB 3.37Å; D100-C104 PolarHBondContact O-N 3.42Å; D100-C104 PolarHBondContact O-SG 2.98Å; C104-S106 VanDerWaalsContact C-N 3.35Å; C104-S107 PolarHBondContact O-N 3.27Å; C104-I108 PolarHBondContact O-N 3.48Å; C104-I108 VanDerWaalsContact O-N 3.17Å; C104-W1045 HydrophobicContact CB-CH2 4.38Å; C104-W1045 HydrophobicContact CB-CZ2 4.37Å; C104-W1045 WeakPolarHBondContact SG-CH2 3.45Å; C104-W1045 WeakPolarHBondContact SG-CZ2 3.24Å |
| 105 | T | 94.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 15.7 Ų | 15.7 | 2% | 0.018 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.3 | -39.6 | 172.8 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | V101 S107 I108 L109 I150 | V101-T105 WeakPolarHBondContact O-CB 3.47Å; V101-T105 PolarHBondContact O-N 2.89Å; V101-T105 PolarHBondContact O-OG1 2.8Å; T105-S107 PolarHBondContact O-N 3.37Å; T105-I108 WeakPolarHBondContact O-CG2 3.48Å; T105-L109 HydrophobicContact CG2-CD1 3.92Å; T105-L109 HydrophobicContact CG2-CG 4.39Å; T105-L109 WeakPolarHBondContact O-CB 3.4Å; T105-L109 VanDerWaalsContact O-CG 3.31Å; T105-L109 WeakPolarHBondContact O-CG 3.31Å; T105-L109 PolarHBondContact O-N 3.18Å; T105-L109 VanDerWaalsContact O-N 3.09Å; T105-I150 HydrophobicContact CG2-CB 4.1Å; T105-I150 HydrophobicContact CG2-CD1 3.71Å; T105-I150 HydrophobicContact CG2-CG2 3.99Å |
| 106 | S | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.7 | -42.9 | 174.1 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | L102 C103 C104 L109 H110 W144 S147 | L102-S106 WeakPolarHBondContact O-CB 3.49Å; L102-S106 PolarHBondContact O-N 2.9Å; C103-S106 PolarHBondContact O-N 3.5Å; C104-S106 VanDerWaalsContact C-N 3.35Å; S106-L109 PolarHBondContact O-N 2.86Å; S106-H110 WeakPolarHBondContact O-CB 3.36Å; S106-H110 PolarHBondContact O-N 3.31Å; S106-H110 PolarHBondContact O-ND1 3.47Å; S106-H110 PolarHBondContact OG-CE1 3.25Å; S106-H110 VanDerWaalsContact OG-CE1 3.23Å; S106-H110 PolarHBondContact OG-ND1 3.28Å; S106-W144 VanDerWaalsContact OG-CH2 3.29Å; S106-W144 WeakPolarHBondContact OG-CH2 3.42Å; S106-W144 WeakPolarHBondContact OG-CZ2 3.47Å; S106-W144 WeakPolarHBondContact OG-CZ3 3.47Å; S106-S147 VanDerWaalsContact CA-OG 3.27Å; S106-S147 WeakPolarHBondContact CA-OG 3.3Å; S106-S147 PolarHBondContact N-OG 2.93Å |
| 107 | S | 95.4 | Very high | 94.1 | Very high | 4 Ų | 4 | 12.2 Ų | 12.2 | 3% | 0.028 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.6 | -50.5 | 179.3 | -164.1 | 0 | 0 | 0 | 0 | 112.3 | L62 C103 C104 T105 L109 H110 L111 | L62-S107 WeakPolarHBondContact CD1-OG 3.34Å; C103-S107 WeakPolarHBondContact O-CB 3.23Å; C103-S107 PolarHBondContact O-N 2.86Å; C104-S107 PolarHBondContact O-N 3.27Å; T105-S107 PolarHBondContact O-N 3.37Å; S107-L109 PolarHBondContact O-N 3.24Å; S107-H110 PolarHBondContact O-N 3.3Å; S107-L111 PolarHBondContact O-N 2.89Å; S107-L111 VanDerWaalsContact O-N 3.11Å |
| 108 | I | 95.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.1 | -37.3 | 179.2 | -162.1 | 169.5 | 0 | 0 | 0 | 112.6 | C104 T105 L111 V112 F191 P194 M195 L198 F1041 | C104-I108 PolarHBondContact O-N 3.48Å; C104-I108 VanDerWaalsContact O-N 3.17Å; T105-I108 WeakPolarHBondContact O-CG2 3.48Å; I108-L111 PolarHBondContact O-N 2.91Å; I108-V112 PolarHBondContact O-N 3.17Å; I108-F191 HydrophobicContact CD1-CD2 3.82Å; I108-F191 HydrophobicContact CD1-CE2 4.15Å; I108-P194 HydrophobicContact CD1-CB 3.92Å; I108-P194 HydrophobicContact CG1-CB 3.99Å; I108-P194 HydrophobicContact CG2-CB 3.99Å; I108-P194 HydrophobicContact CG2-CG 4.35Å; I108-M195 HydrophobicContact CD1-CB 4.21Å; I108-L198 HydrophobicContact CG1-CD2 4.43Å; I108-F1041 HydrophobicContact CB-CE1 3.87Å; I108-F1041 HydrophobicContact CB-CE2 4.39Å; I108-F1041 HydrophobicContact CB-CZ 3.62Å; I108-F1041 HydrophobicContact CD1-CE1 3.67Å; I108-F1041 HydrophobicContact CD1-CZ 4.18Å; I108-F1041 HydrophobicContact CG1-CD1 4.48Å; I108-F1041 HydrophobicContact CG1-CE1 3.7Å; I108-F1041 HydrophobicContact CG1-CZ 4.01Å |
| 109 | L | 95.8 | Very high | 94 | Very high | 22 Ų | 22 | 15.3 Ų | 15.3 | 12% | 0.115 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -71 | -31.7 | 176.7 | -70.4 | 179 | 0 | 0 | 0 | 112.8 | T105 S106 S107 V112 A113 I143 L146 P194 | T105-L109 HydrophobicContact CG2-CD1 3.92Å; T105-L109 HydrophobicContact CG2-CG 4.39Å; T105-L109 WeakPolarHBondContact O-CB 3.4Å; T105-L109 VanDerWaalsContact O-CG 3.31Å; T105-L109 WeakPolarHBondContact O-CG 3.31Å; T105-L109 PolarHBondContact O-N 3.18Å; T105-L109 VanDerWaalsContact O-N 3.09Å; S106-L109 PolarHBondContact O-N 2.86Å; S107-L109 PolarHBondContact O-N 3.24Å; L109-V112 PolarHBondContact O-N 3.03Å; L109-A113 WeakPolarHBondContact O-CB 3.38Å; L109-A113 PolarHBondContact O-N 3.46Å; L109-I143 HydrophobicContact CB-CG1 4.41Å; L109-I143 HydrophobicContact CB-CG2 3.75Å; L109-L146 HydrophobicContact CD1-CB 3.82Å; L109-P194 HydrophobicContact CD2-CB 4.18Å; L109-P194 HydrophobicContact CD2-CG 4.16Å |
| 110 | H | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 168.5 | -81.1 | 93.9 | 0 | 0 | 0 | 111.7 | S61 L62 S106 S107 A113 I114 I143 W144 | S61-H110 WeakPolarHBondContact CB-NE2 3.41Å; S61-H110 PolarHBondContact OG-CE1 2.98Å; S61-H110 PolarHBondContact OG-NE2 3.49Å; L62-H110 HydrophobicContact CB-CB 4.14Å; L62-H110 HydrophobicContact CD1-CB 4.04Å; S106-H110 WeakPolarHBondContact O-CB 3.36Å; S106-H110 PolarHBondContact O-N 3.31Å; S106-H110 PolarHBondContact O-ND1 3.47Å; S106-H110 PolarHBondContact OG-CE1 3.25Å; S106-H110 VanDerWaalsContact OG-CE1 3.23Å; S106-H110 PolarHBondContact OG-ND1 3.28Å; S107-H110 PolarHBondContact O-N 3.3Å; H110-A113 PolarHBondContact O-N 3.2Å; H110-I114 WeakPolarHBondContact O-CB 3.44Å; H110-I114 WeakPolarHBondContact O-CD1 3.42Å; H110-I114 VanDerWaalsContact O-CG1 3.23Å; H110-I114 WeakPolarHBondContact O-CG1 3.18Å; H110-I114 PolarHBondContact O-N 3.24Å; H110-I143 VanDerWaalsContact CE1-CG2 3.47Å; H110-I143 WeakPolarHBondContact CE1-CG2 3.17Å; H110-W144 AromaticContact CE1-CE2 3.88Å; H110-W144 AromaticContact CE1-NE1 3.74Å; H110-W144 AromaticContact NE2-NE1 3.96Å |
| 111 | L | 94.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 2% | 0.016 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -64.1 | -40.2 | 174.5 | -64.9 | 177.8 | 0 | 0 | 0 | 112.3 | L62 S107 I108 I114 A115 L198 I1037 F1041 | L62-L111 HydrophobicContact CD2-CD2 4.1Å; S107-L111 PolarHBondContact O-N 2.89Å; S107-L111 VanDerWaalsContact O-N 3.11Å; I108-L111 PolarHBondContact O-N 2.91Å; L111-I114 PolarHBondContact O-N 3.08Å; L111-A115 WeakPolarHBondContact O-CB 3.11Å; L111-A115 PolarHBondContact O-N 3.46Å; L111-L198 HydrophobicContact CB-CD1 4.18Å; L111-L198 HydrophobicContact CB-CD2 4.02Å; L111-I1037 HydrophobicContact CD2-CG2 3.68Å; L111-F1041 HydrophobicContact CD1-CB 3.52Å; L111-F1041 HydrophobicContact CD1-CD1 3.95Å; L111-F1041 HydrophobicContact CD1-CD2 3.68Å; L111-F1041 HydrophobicContact CD1-CE2 4.46Å; L111-F1041 HydrophobicContact CD1-CG 3.41Å; L111-F1041 VanDerWaalsContact CD1-CG 3.41Å |
| 112 | V | 96.1 | Very high | 93 | Very high | 11 Ų | 11 | 16 Ų | 16 | 7% | 0.067 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.1 | -48 | 171.9 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | I108 L109 I114 A115 I116 P194 F197 L198 I201 | I108-V112 PolarHBondContact O-N 3.17Å; L109-V112 PolarHBondContact O-N 3.03Å; V112-I114 PolarHBondContact O-N 3.33Å; V112-A115 WeakPolarHBondContact O-CB 3.33Å; V112-A115 PolarHBondContact O-N 3.41Å; V112-I116 HydrophobicContact CG1-CD1 3.97Å; V112-I116 WeakPolarHBondContact O-CG1 3.34Å; V112-I116 PolarHBondContact O-N 3.28Å; V112-P194 HydrophobicContact CG2-CB 4.42Å; V112-F197 HydrophobicContact CG1-CD1 3.59Å; V112-F197 HydrophobicContact CG1-CE1 3.62Å; V112-F197 HydrophobicContact CG2-CD1 4.4Å; V112-L198 HydrophobicContact CG2-CB 3.93Å; V112-L198 HydrophobicContact CG2-CD1 4.04Å; V112-L198 HydrophobicContact CG2-CG 4.46Å; V112-I201 HydrophobicContact CG1-CD1 4.26Å |
| 113 | A | 95.6 | Very high | 92.5 | Very high | 5 Ų | 5 | 17.8 Ų | 17.8 | 4% | 0.041 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L58 L109 H110 A115 I116 D117 M139 I143 | L58-A113 HydrophobicContact CD1-CB 4.37Å; L58-A113 HydrophobicContact CD2-CB 4.22Å; L109-A113 WeakPolarHBondContact O-CB 3.38Å; L109-A113 PolarHBondContact O-N 3.46Å; H110-A113 PolarHBondContact O-N 3.2Å; A113-A115 VanDerWaalsContact C-N 3.35Å; A113-I116 PolarHBondContact O-N 2.93Å; A113-D117 PolarHBondContact O-N 3.47Å; A113-M139 HydrophobicContact CB-CE 3.95Å; A113-M139 WeakPolarHBondContact O-CE 3.35Å; A113-I143 HydrophobicContact CB-CD1 3.56Å; A113-I143 HydrophobicContact CB-CG1 4.24Å |
| 114 | I | 94.1 | Very high | 91.8 | Very high | 5 Ų | 5 | 20.7 Ų | 20.7 | 3% | 0.026 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 174.2 | -68.5 | 164.8 | 0 | 0 | 0 | 110.5 | L58 I59 L62 H110 L111 V112 D117 R118 L1034 | L58-I114 HydrophobicContact CB-CD1 4.18Å; L58-I114 HydrophobicContact CB-CG1 3.59Å; L58-I114 HydrophobicContact CD1-CG1 3.91Å; L58-I114 HydrophobicContact CG-CG1 4.39Å; I59-I114 HydrophobicContact CG1-CD1 4.23Å; L62-I114 HydrophobicContact CD2-CD1 4.28Å; H110-I114 WeakPolarHBondContact O-CB 3.44Å; H110-I114 WeakPolarHBondContact O-CD1 3.42Å; H110-I114 VanDerWaalsContact O-CG1 3.23Å; H110-I114 WeakPolarHBondContact O-CG1 3.18Å; H110-I114 PolarHBondContact O-N 3.24Å; L111-I114 PolarHBondContact O-N 3.08Å; V112-I114 PolarHBondContact O-N 3.33Å; I114-D117 PolarHBondContact O-N 3.15Å; I114-R118 WeakPolarHBondContact O-CG 3.42Å; I114-R118 PolarHBondContact O-N 2.67Å; I114-L1034 HydrophobicContact CG2-CD1 3.73Å; I114-L1034 HydrophobicContact CG2-CD2 3.74Å; I114-L1034 HydrophobicContact CG2-CG 4.22Å |
| 115 | A | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.1 | -40.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L111 V112 A113 R118 Y119 L198 I201 Y202 | L111-A115 WeakPolarHBondContact O-CB 3.11Å; L111-A115 PolarHBondContact O-N 3.46Å; V112-A115 WeakPolarHBondContact O-CB 3.33Å; V112-A115 PolarHBondContact O-N 3.41Å; A113-A115 VanDerWaalsContact C-N 3.35Å; A115-R118 PolarHBondContact O-N 2.74Å; A115-Y119 WeakPolarHBondContact O-CB 3.4Å; A115-Y119 PolarHBondContact O-N 2.83Å; A115-L198 HydrophobicContact CB-CD1 3.83Å; A115-I201 HydrophobicContact CB-CB 4.25Å; A115-I201 HydrophobicContact CB-CD1 4.45Å; A115-I201 HydrophobicContact CB-CG2 3.69Å; A115-Y202 HydrophobicContact CB-CD2 4.29Å; A115-Y202 HydrophobicContact CB-CE2 3.74Å |
| 116 | I | 93.6 | Very high | 90.1 | Very high | 38 Ų | 38 | 26.9 Ų | 26.9 | 20% | 0.195 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.1 | -49.1 | 174.2 | -67.4 | 167.6 | 0 | 0 | 0 | 111.1 | V112 A113 R118 Y119 W120 M139 F197 I201 | V112-I116 HydrophobicContact CG1-CD1 3.97Å; V112-I116 WeakPolarHBondContact O-CG1 3.34Å; V112-I116 PolarHBondContact O-N 3.28Å; A113-I116 PolarHBondContact O-N 2.93Å; I116-R118 VanDerWaalsContact C-N 3.32Å; I116-R118 PolarHBondContact O-N 3.11Å; I116-Y119 WeakPolarHBondContact O-CB 3.47Å; I116-Y119 PolarHBondContact O-N 3.38Å; I116-Y119 VanDerWaalsContact O-N 3.11Å; I116-W120 HydrophobicContact CG2-CD2 3.86Å; I116-W120 HydrophobicContact CG2-CE3 3.81Å; I116-W120 HydrophobicContact CG2-CH2 3.62Å; I116-W120 HydrophobicContact CG2-CZ2 3.66Å; I116-W120 HydrophobicContact CG2-CZ3 3.7Å; I116-W120 PolarHBondContact O-N 3.44Å; I116-M139 HydrophobicContact CB-CE 4.15Å; I116-M139 HydrophobicContact CG2-CE 4.08Å; I116-F197 HydrophobicContact CD1-CE1 4.2Å; I116-I201 HydrophobicContact CD1-CD1 4.48Å; I116-I201 HydrophobicContact CG1-CD1 3.79Å |
| 117 | D | 91.5 | Very high | 89.3 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.011 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.4 | -41.9 | 177.6 | 167 | 82.9 | 0 | 0 | 0 | 112.2 | S55 L58 A113 I114 A121 Y127 Q131 | S55-D117 VanDerWaalsContact CB-OD2 3.24Å; S55-D117 WeakPolarHBondContact CB-OD2 3.33Å; S55-D117 PolarHBondContact OG-OD1 3.09Å; S55-D117 PolarHBondContact OG-OD2 2.89Å; L58-D117 HydrophobicContact CD1-CB 4.1Å; A113-D117 PolarHBondContact O-N 3.47Å; I114-D117 PolarHBondContact O-N 3.15Å; D117-A121 PolarHBondContact O-N 3.41Å; D117-A121 VanDerWaalsContact O-N 3.16Å; D117-Y127 PolarHBondContact OD1-OH 3.02Å; D117-Q131 PolarHBondContact OD1-NE2 3.07Å; D117-Q131 VanDerWaalsContact OD1-NE2 3.09Å |
| 118 | R | 89.7 | Confident | 88.2 | Confident | 25 Ų | 25 | 31 Ų | 31 | 9% | 0.094 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.5 | -38.3 | 173.6 | -68.5 | -57.2 | 88.5 | -156.1 | 3.2 | 112.7 | S55 I114 A115 I116 W120 A121 I122 I205 E1027 L1034 | S55-R118 PolarHBondContact OG-NH2 3.3Å; S55-R118 VanDerWaalsContact OG-NH2 3.15Å; I114-R118 WeakPolarHBondContact O-CG 3.42Å; I114-R118 PolarHBondContact O-N 2.67Å; A115-R118 PolarHBondContact O-N 2.74Å; I116-R118 VanDerWaalsContact C-N 3.32Å; I116-R118 PolarHBondContact O-N 3.11Å; R118-W120 VanDerWaalsContact C-N 3.35Å; R118-A121 PolarHBondContact O-N 3.01Å; R118-I122 HydrophobicContact CB-CD1 4.48Å; R118-I122 VanDerWaalsContact O-CB 3.26Å; R118-I122 WeakPolarHBondContact O-CB 3.44Å; R118-I122 WeakPolarHBondContact O-CD1 3.2Å; R118-I122 WeakPolarHBondContact O-CG1 3.44Å; R118-I122 PolarHBondContact O-N 3.5Å; R118-I205 HydrophobicContact CB-CD1 4.24Å; R118-E1027 IonicContact CZ-OE1 3.08Å; R118-E1027 IonicContact NH1-OE1 3.49Å; R118-E1027 PolarHBondContact NH1-OE1 2.93Å; R118-L1034 HydrophobicContact CG-CD1 3.44Å; R118-L1034 VanDerWaalsContact CG-CD1 3.44Å |
| 119 | Y | 89.8 | Confident | 87 | Confident | 75 Ų | 75 | 39.6 Ų | 39.6 | 29% | 0.294 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 175.7 | -179.9 | -110 | 0 | 0 | 0 | 111.7 | A115 I116 I122 T123 K204 I205 | A115-Y119 WeakPolarHBondContact O-CB 3.4Å; A115-Y119 PolarHBondContact O-N 2.83Å; I116-Y119 WeakPolarHBondContact O-CB 3.47Å; I116-Y119 PolarHBondContact O-N 3.38Å; I116-Y119 VanDerWaalsContact O-N 3.11Å; Y119-I122 CarbonylContact O-C 3.54Å; Y119-I122 PolarHBondContact O-N 2.84Å; Y119-T123 HydrophobicContact CD2-CG2 4.05Å; Y119-T123 HydrophobicContact CE1-CG2 4.07Å; Y119-T123 HydrophobicContact CE2-CG2 3.54Å; Y119-T123 WeakPolarHBondContact O-CB 3.17Å; Y119-T123 WeakPolarHBondContact O-CG2 3.36Å; Y119-T123 PolarHBondContact O-N 3.24Å; Y119-T123 PolarHBondContact O-OG1 3.44Å; Y119-K204 HydrophobicContact CD2-CB 4.15Å; Y119-K204 HydrophobicContact CE2-CB 3.65Å; Y119-I205 HydrophobicContact CD2-CG1 3.9Å; Y119-I205 HydrophobicContact CG-CG1 4.38Å |
| 120 | W | 89.5 | Confident | 85.9 | Confident | 105 Ų | 105 | 42.7 Ų | 42.7 | 40% | 0.398 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.7 | -40.5 | 176 | -70.6 | -25.6 | 0 | 0 | 0 | 113.1 | I116 R118 I122 T123 C124 Y127 M139 | I116-W120 HydrophobicContact CG2-CD2 3.86Å; I116-W120 HydrophobicContact CG2-CE3 3.81Å; I116-W120 HydrophobicContact CG2-CH2 3.62Å; I116-W120 HydrophobicContact CG2-CZ2 3.66Å; I116-W120 HydrophobicContact CG2-CZ3 3.7Å; I116-W120 PolarHBondContact O-N 3.44Å; R118-W120 VanDerWaalsContact C-N 3.35Å; W120-I122 PolarHBondContact O-N 3.12Å; W120-T123 WeakPolarHBondContact CA-OG1 3.34Å; W120-T123 PolarHBondContact O-N 2.96Å; W120-T123 PolarHBondContact O-OG1 3.35Å; W120-C124 WeakPolarHBondContact O-CA 3.5Å; W120-C124 WeakPolarHBondContact O-CB 3.22Å; W120-C124 PolarHBondContact O-N 2.99Å; W120-Y127 HydrophobicContact CB-CD1 3.87Å; W120-Y127 HydrophobicContact CB-CD2 4.08Å; W120-Y127 HydrophobicContact CB-CE1 4.05Å; W120-Y127 HydrophobicContact CB-CE2 4.26Å; W120-Y127 HydrophobicContact CB-CG 3.89Å; W120-Y127 AromaticContact CE3-CE2 3.9Å; W120-Y127 HydrophobicContact CE3-CE2 3.9Å; W120-M139 HydrophobicContact CZ3-SD 4.29Å |
| 121 | A | 85.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63 | -40.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D117 R118 T123 Y127 I128 R212 E1027 | D117-A121 PolarHBondContact O-N 3.41Å; D117-A121 VanDerWaalsContact O-N 3.16Å; R118-A121 PolarHBondContact O-N 3.01Å; A121-T123 VanDerWaalsContact C-N 3.29Å; A121-T123 PolarHBondContact O-N 3.37Å; A121-Y127 HydrophobicContact CB-CD1 4.2Å; A121-I128 HydrophobicContact CB-CD1 4.11Å; A121-I128 HydrophobicContact CB-CG1 3.81Å; A121-R212 PolarHBondContact O-NH1 2.91Å; A121-R212 PolarHBondContact O-NH2 2.87Å; A121-R212 VanDerWaalsContact O-NH2 3.17Å; A121-E1027 WeakPolarHBondContact CB-OE1 3.44Å |
| 122 | I | 83 | Confident | 84.1 | Confident | 14 Ų | 14 | 52.2 Ų | 52.2 | 7% | 0.072 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -80 | -8.8 | -177.5 | -64.4 | 168.4 | 0 | 0 | 0 | 112.6 | R118 Y119 W120 I205 A208 R212 A1031 | R118-I122 HydrophobicContact CB-CD1 4.48Å; R118-I122 VanDerWaalsContact O-CB 3.26Å; R118-I122 WeakPolarHBondContact O-CB 3.44Å; R118-I122 WeakPolarHBondContact O-CD1 3.2Å; R118-I122 WeakPolarHBondContact O-CG1 3.44Å; R118-I122 PolarHBondContact O-N 3.5Å; Y119-I122 CarbonylContact O-C 3.54Å; Y119-I122 PolarHBondContact O-N 2.84Å; W120-I122 PolarHBondContact O-N 3.12Å; I122-I205 HydrophobicContact CD1-CG2 3.75Å; I122-A208 HydrophobicContact CG2-CB 3.96Å; I122-R212 VanDerWaalsContact C-NH2 3.29Å; I122-R212 PolarHBondContact O-NE 3.26Å; I122-R212 PolarHBondContact O-NH2 2.92Å; I122-R212 VanDerWaalsContact O-NH2 3.14Å; I122-A1031 HydrophobicContact CD1-CB 3.94Å |
| 123 | T | 84.2 | Confident | 83.7 | Confident | 50 Ų | 50 | 56.6 Ų | 56.6 | 31% | 0.307 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -103.9 | -55.5 | 168.6 | 50.3 | 0 | 0 | 0 | 0 | 112 | Y119 W120 A121 A208 R212 | Y119-T123 HydrophobicContact CD2-CG2 4.05Å; Y119-T123 HydrophobicContact CE1-CG2 4.07Å; Y119-T123 HydrophobicContact CE2-CG2 3.54Å; Y119-T123 WeakPolarHBondContact O-CB 3.17Å; Y119-T123 WeakPolarHBondContact O-CG2 3.36Å; Y119-T123 PolarHBondContact O-N 3.24Å; Y119-T123 PolarHBondContact O-OG1 3.44Å; W120-T123 WeakPolarHBondContact CA-OG1 3.34Å; W120-T123 PolarHBondContact O-N 2.96Å; W120-T123 PolarHBondContact O-OG1 3.35Å; A121-T123 VanDerWaalsContact C-N 3.29Å; A121-T123 PolarHBondContact O-N 3.37Å; T123-A208 HydrophobicContact CG2-CB 4.38Å; T123-R212 PolarHBondContact O-NH2 2.71Å |
| 124 | C | 80.7 | Confident | 83.5 | Confident | 60 Ų | 60 | 63.6 Ų | 63.6 | 41% | 0.405 | 30% | 0.298 | S | S | . | . | trans | -106.6 | 104.8 | -169.5 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | W120 T126 Y127 | W120-C124 WeakPolarHBondContact O-CA 3.5Å; W120-C124 WeakPolarHBondContact O-CB 3.22Å; W120-C124 PolarHBondContact O-N 2.99Å; C124-T126 PolarHBondContact O-N 3.11Å; C124-Y127 WeakPolarHBondContact O-CB 3.27Å; C124-Y127 PolarHBondContact O-N 3.33Å; C124-Y127 VanDerWaalsContact O-N 3.08Å | ||
| 125 | V | 74 | Confident | 83.4 | Confident | 65 Ų | 65 | 66 Ų | 66 | 39% | 0.394 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.1 | -35 | 178.9 | -176.8 | 0 | 0 | 0 | 0 | 111.6 | Y127 I128 | V125-Y127 VanDerWaalsContact C-N 3.27Å; V125-Y127 PolarHBondContact O-N 3.36Å; V125-I128 PolarHBondContact O-N 3.18Å |
| 126 | T | 76.4 | Confident | 83.3 | Confident | 80 Ų | 80 | 66 Ų | 66 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.1 | -29.1 | 174.9 | 46.9 | 0 | 0 | 0 | 0 | 114 | C124 I128 R129 D130 | C124-T126 PolarHBondContact O-N 3.11Å; T126-I128 PolarHBondContact O-N 3.07Å; T126-R129 PolarHBondContact O-N 2.87Å; T126-D130 WeakPolarHBondContact O-CB 3.08Å; T126-D130 PolarHBondContact O-N 3.02Å |
| 127 | Y | 81 | Confident | 83.4 | Confident | 38 Ų | 38 | 69.2 Ų | 69.2 | 15% | 0.149 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.2 | -35.9 | 178.3 | 171.8 | -101.6 | 0 | 0 | 0 | 112 | D117 W120 A121 C124 V125 Q131 | D117-Y127 PolarHBondContact OD1-OH 3.02Å; W120-Y127 HydrophobicContact CB-CD1 3.87Å; W120-Y127 HydrophobicContact CB-CD2 4.08Å; W120-Y127 HydrophobicContact CB-CE1 4.05Å; W120-Y127 HydrophobicContact CB-CE2 4.26Å; W120-Y127 HydrophobicContact CB-CG 3.89Å; W120-Y127 AromaticContact CE3-CE2 3.9Å; W120-Y127 HydrophobicContact CE3-CE2 3.9Å; A121-Y127 HydrophobicContact CB-CD1 4.2Å; C124-Y127 WeakPolarHBondContact O-CB 3.27Å; C124-Y127 PolarHBondContact O-N 3.33Å; C124-Y127 VanDerWaalsContact O-N 3.08Å; V125-Y127 VanDerWaalsContact C-N 3.27Å; V125-Y127 PolarHBondContact O-N 3.36Å; Y127-Q131 HydrophobicContact CE1-CG 4.48Å; Y127-Q131 WeakPolarHBondContact O-CA 3.47Å; Y127-Q131 VanDerWaalsContact O-CB 3.25Å; Y127-Q131 WeakPolarHBondContact O-CB 3.34Å; Y127-Q131 PolarHBondContact O-N 3.38Å; Y127-Q131 PolarHBondContact OH-NE2 3.44Å; Y127-Q131 VanDerWaalsContact OH-NE2 3.15Å |
| 128 | I | 71.5 | Confident | 83.5 | Confident | 51 Ų | 51 | 72.9 Ų | 72.9 | 26% | 0.262 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.8 | -49.2 | -177.9 | -56.4 | 158.6 | 0 | 0 | 0 | 110.3 | A121 V125 T126 Q131 E1027 | A121-I128 HydrophobicContact CB-CD1 4.11Å; A121-I128 HydrophobicContact CB-CG1 3.81Å; V125-I128 PolarHBondContact O-N 3.18Å; T126-I128 PolarHBondContact O-N 3.07Å; I128-Q131 WeakPolarHBondContact O-CB 3.4Å; I128-E1027 WeakPolarHBondContact CD1-OE2 3.4Å |
| 129 | R | 69.5 | Low | 83.7 | Confident | 182 Ų | 182 | 72.9 Ų | 72.9 | 69% | 0.687 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.7 | -40.1 | -179.7 | -172.8 | -176.7 | 66.2 | -158.6 | -3.9 | 112.1 | T126 Q131 | T126-R129 PolarHBondContact O-N 2.87Å; R129-Q131 VanDerWaalsContact C-N 3.33Å |
| 130 | D | 72 | Confident | 84.1 | Confident | 88 Ų | 88 | 70.4 Ų | 70.4 | 47% | 0.471 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 17.8 | -172.3 | -50.2 | -24.8 | 0 | 0 | 0 | 111.6 | T126 K132 | T126-D130 WeakPolarHBondContact O-CB 3.08Å; T126-D130 PolarHBondContact O-N 3.02Å; D130-K132 PolarHBondContact O-N 3.5Å |
| 131 | Q | 73.1 | Confident | 84.4 | Confident | 45 Ų | 45 | 70.4 Ų | 70.4 | 21% | 0.21 | 34% | 0.343 | C | S | . | . | trans | -68.6 | 90 | -172.6 | -156.5 | -172.4 | 26.2 | 0 | 0 | 113.4 | V54 S55 D117 Y127 I128 R129 | V54-Q131 HydrophobicContact CB-CG 4.46Å; S55-Q131 PolarHBondContact OG-NE2 3.29Å; D117-Q131 PolarHBondContact OD1-NE2 3.07Å; D117-Q131 VanDerWaalsContact OD1-NE2 3.09Å; Y127-Q131 HydrophobicContact CE1-CG 4.48Å; Y127-Q131 WeakPolarHBondContact O-CA 3.47Å; Y127-Q131 VanDerWaalsContact O-CB 3.25Å; Y127-Q131 WeakPolarHBondContact O-CB 3.34Å; Y127-Q131 PolarHBondContact O-N 3.38Å; Y127-Q131 PolarHBondContact OH-NE2 3.44Å; Y127-Q131 VanDerWaalsContact OH-NE2 3.15Å; I128-Q131 WeakPolarHBondContact O-CB 3.4Å; R129-Q131 VanDerWaalsContact C-N 3.33Å | ||
| 132 | K | 82.1 | Confident | 85 | Confident | 158 Ų | 158 | 74.5 Ų | 74.5 | 69% | 0.687 | 36% | 0.364 | S | S | * | . | trans | -71.2 | 151.7 | 173 | -66.5 | 168.7 | -171.5 | 175.2 | 0 | 110.6 | D130 K134 P135 | D130-K132 PolarHBondContact O-N 3.5Å; K132-K134 VanDerWaalsContact C-N 3.34Å; K132-K134 PolarHBondContact O-N 3.33Å; K132-P135 WeakPolarHBondContact O-CD 3.45Å | ||
| 133 | K | 88 | Confident | 85.7 | Confident | 102 Ų | 102 | 74.2 Ų | 74.2 | 44% | 0.443 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.5 | -28.6 | 175.6 | -58.5 | -164.9 | 177.4 | -164.8 | 0 | 114 | V54 Y57 I136 Y137 | V54-K133 HydrophobicContact CG1-CB 4.3Å; V54-K133 HydrophobicContact CG1-CG 4.09Å; V54-K133 HydrophobicContact CG2-CG 4.15Å; Y57-K133 HydrophobicContact CE2-CD 4.27Å; Y57-K133 PolarHBondContact OH-NZ 2.88Å; K133-I136 PolarHBondContact O-N 2.92Å; K133-Y137 HydrophobicContact CB-CD2 4.04Å; K133-Y137 HydrophobicContact CB-CE2 3.65Å; K133-Y137 HydrophobicContact CD-CE2 4.22Å; K133-Y137 VanDerWaalsContact O-CD2 3.3Å; K133-Y137 WeakPolarHBondContact O-CD2 3.27Å; K133-Y137 PolarHBondContact O-N 3.37Å |
| 134 | K | 90.5 | Very high | 86.3 | Confident | 152 Ų | 152 | 74.8 Ų | 74.8 | 66% | 0.661 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -57.1 | -47.8 | -173.5 | 178.5 | 171.7 | 179.7 | 175.6 | 0 | 113.8 | K132 I136 Y137 I138 | K132-K134 VanDerWaalsContact C-N 3.34Å; K132-K134 PolarHBondContact O-N 3.33Å; K134-I136 PolarHBondContact O-N 2.81Å; K134-Y137 PolarHBondContact O-N 3.08Å; K134-I138 HydrophobicContact CD-CD1 4.49Å; K134-I138 HydrophobicContact CG-CD1 3.78Å; K134-I138 HydrophobicContact CG-CG1 4.43Å; K134-I138 WeakPolarHBondContact O-CG1 3.46Å; K134-I138 PolarHBondContact O-N 3.44Å |
| 135 | P | 91.3 | Very high | 87 | Confident | 55 Ų | 55 | 76.1 Ų | 76.1 | 36% | 0.357 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -52.2 | -47.5 | 173.4 | -31 | 35.6 | 0 | 0 | 0 | 114.7 | K132 Y137 I138 M139 | K132-P135 WeakPolarHBondContact O-CD 3.45Å; P135-Y137 PolarHBondContact O-N 2.91Å; P135-I138 WeakPolarHBondContact O-CB 3.21Å; P135-I138 PolarHBondContact O-N 3.09Å; P135-I138 VanDerWaalsContact O-N 3.17Å; P135-M139 WeakPolarHBondContact O-CG 3.47Å; P135-M139 PolarHBondContact O-N 3.32Å |
| 136 | I | 93.2 | Very high | 88 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.9 | -38.7 | -178.4 | -60.4 | -52.4 | 0 | 0 | 0 | 111.7 | V54 L58 K133 K134 I138 M139 L140 | V54-I136 HydrophobicContact CG1-CB 4.26Å; V54-I136 HydrophobicContact CG1-CG1 3.84Å; L58-I136 HydrophobicContact CD1-CD1 4.31Å; L58-I136 HydrophobicContact CD2-CG2 3.99Å; L58-I136 HydrophobicContact CG-CG2 3.97Å; K133-I136 PolarHBondContact O-N 2.92Å; K134-I136 PolarHBondContact O-N 2.81Å; I136-I138 VanDerWaalsContact C-N 3.33Å; I136-I138 PolarHBondContact O-N 3.28Å; I136-M139 HydrophobicContact CD1-SD 3.83Å; I136-M139 PolarHBondContact O-N 3.47Å; I136-L140 HydrophobicContact CG2-CD1 4.37Å; I136-L140 WeakPolarHBondContact O-CG 3.49Å; I136-L140 PolarHBondContact O-N 3.1Å |
| 137 | Y | 94.3 | Very high | 88.9 | Confident | 105 Ų | 105 | 72.8 Ų | 72.8 | 41% | 0.412 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.5 | -35.5 | 173 | -68.1 | -54.2 | 0 | 0 | 0 | 112.9 | K133 K134 P135 L140 I141 | K133-Y137 HydrophobicContact CB-CD2 4.04Å; K133-Y137 HydrophobicContact CB-CE2 3.65Å; K133-Y137 HydrophobicContact CD-CE2 4.22Å; K133-Y137 VanDerWaalsContact O-CD2 3.3Å; K133-Y137 WeakPolarHBondContact O-CD2 3.27Å; K133-Y137 PolarHBondContact O-N 3.37Å; K134-Y137 PolarHBondContact O-N 3.08Å; P135-Y137 PolarHBondContact O-N 2.91Å; Y137-L140 HydrophobicContact CD1-CD1 4.21Å; Y137-L140 PolarHBondContact O-N 3.4Å; Y137-I141 WeakPolarHBondContact O-CG1 3.26Å; Y137-I141 PolarHBondContact O-N 3.46Å; Y137-I141 VanDerWaalsContact O-N 3.1Å |
| 138 | I | 94.7 | Very high | 89.5 | Confident | 79 Ų | 79 | 74.6 Ų | 74.6 | 41% | 0.405 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 173.7 | -68.9 | 165.9 | 0 | 0 | 0 | 110.6 | K134 P135 I136 L140 I141 I142 | K134-I138 HydrophobicContact CD-CD1 4.49Å; K134-I138 HydrophobicContact CG-CD1 3.78Å; K134-I138 HydrophobicContact CG-CG1 4.43Å; K134-I138 WeakPolarHBondContact O-CG1 3.46Å; K134-I138 PolarHBondContact O-N 3.44Å; P135-I138 WeakPolarHBondContact O-CB 3.21Å; P135-I138 PolarHBondContact O-N 3.09Å; P135-I138 VanDerWaalsContact O-N 3.17Å; I136-I138 VanDerWaalsContact C-N 3.33Å; I136-I138 PolarHBondContact O-N 3.28Å; I138-L140 PolarHBondContact O-N 3.46Å; I138-I141 PolarHBondContact O-N 3.05Å; I138-I142 HydrophobicContact CG2-CD1 3.7Å; I138-I142 HydrophobicContact CG2-CG1 4.42Å; I138-I142 VanDerWaalsContact O-CG1 3.31Å; I138-I142 WeakPolarHBondContact O-CG1 3.45Å; I138-I142 PolarHBondContact O-N 3.44Å |
| 139 | M | 94.6 | Very high | 90.4 | Very high | 26 Ų | 26 | 77 Ų | 77 | 13% | 0.128 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 175.8 | -67.4 | 169 | 79.1 | 0 | 0 | 111.5 | A113 I116 W120 P135 I136 I141 I142 I143 | A113-M139 HydrophobicContact CB-CE 3.95Å; A113-M139 WeakPolarHBondContact O-CE 3.35Å; I116-M139 HydrophobicContact CB-CE 4.15Å; I116-M139 HydrophobicContact CG2-CE 4.08Å; W120-M139 HydrophobicContact CZ3-SD 4.29Å; P135-M139 WeakPolarHBondContact O-CG 3.47Å; P135-M139 PolarHBondContact O-N 3.32Å; I136-M139 HydrophobicContact CD1-SD 3.83Å; I136-M139 PolarHBondContact O-N 3.47Å; M139-I141 PolarHBondContact O-N 3.39Å; M139-I142 PolarHBondContact O-N 2.96Å; M139-I143 WeakPolarHBondContact O-CD1 3.38Å; M139-I143 VanDerWaalsContact O-CG1 3.22Å; M139-I143 WeakPolarHBondContact O-CG1 3.31Å; M139-I143 PolarHBondContact O-N 3.28Å |
| 140 | L | 96.8 | Very high | 91.3 | Very high | 23 Ų | 23 | 70.6 Ų | 70.6 | 12% | 0.12 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 175.9 | -73 | 171.2 | 0 | 0 | 0 | 112.8 | L58 S61 I136 Y137 I138 I143 W144 | L58-L140 HydrophobicContact CD2-CD2 3.87Å; L58-L140 HydrophobicContact CD2-CG 4.08Å; S61-L140 WeakPolarHBondContact OG-CD2 3.23Å; I136-L140 HydrophobicContact CG2-CD1 4.37Å; I136-L140 WeakPolarHBondContact O-CG 3.49Å; I136-L140 PolarHBondContact O-N 3.1Å; Y137-L140 HydrophobicContact CD1-CD1 4.21Å; Y137-L140 PolarHBondContact O-N 3.4Å; I138-L140 PolarHBondContact O-N 3.46Å; L140-I143 PolarHBondContact O-N 2.99Å; L140-W144 VanDerWaalsContact O-CD1 3.32Å; L140-W144 PolarHBondContact O-N 3.08Å |
| 141 | I | 97 | Very high | 92.1 | Very high | 104 Ų | 104 | 66.4 Ų | 66.4 | 53% | 0.533 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 177.8 | -68.9 | 164.7 | 0 | 0 | 0 | 110.8 | Y137 I138 M139 I145 | Y137-I141 WeakPolarHBondContact O-CG1 3.26Å; Y137-I141 PolarHBondContact O-N 3.46Å; Y137-I141 VanDerWaalsContact O-N 3.1Å; I138-I141 PolarHBondContact O-N 3.05Å; M139-I141 PolarHBondContact O-N 3.39Å; I141-I145 HydrophobicContact CG2-CD1 3.63Å; I141-I145 HydrophobicContact CG2-CG1 4.45Å; I141-I145 WeakPolarHBondContact O-CB 3.43Å; I141-I145 VanDerWaalsContact O-CG1 3.31Å; I141-I145 WeakPolarHBondContact O-CG1 3.36Å; I141-I145 PolarHBondContact O-N 2.91Å; I141-I145 VanDerWaalsContact O-N 3.08Å |
| 142 | I | 96.8 | Very high | 92.7 | Very high | 87 Ų | 87 | 67.9 Ų | 67.9 | 45% | 0.446 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 178.2 | -70.2 | 168.4 | 0 | 0 | 0 | 111.4 | I138 M139 W144 I145 L146 | I138-I142 HydrophobicContact CG2-CD1 3.7Å; I138-I142 HydrophobicContact CG2-CG1 4.42Å; I138-I142 VanDerWaalsContact O-CG1 3.31Å; I138-I142 WeakPolarHBondContact O-CG1 3.45Å; I138-I142 PolarHBondContact O-N 3.44Å; M139-I142 PolarHBondContact O-N 2.96Å; I142-W144 PolarHBondContact O-N 3.43Å; I142-I145 PolarHBondContact O-N 3.5Å; I142-L146 HydrophobicContact CG2-CD1 3.63Å; I142-L146 HydrophobicContact CG2-CG 4.16Å; I142-L146 WeakPolarHBondContact O-CB 3.21Å; I142-L146 VanDerWaalsContact O-CG 3.3Å; I142-L146 WeakPolarHBondContact O-CG 3.28Å; I142-L146 PolarHBondContact O-N 3.3Å |
| 143 | I | 97.1 | Very high | 92.6 | Very high | 8 Ų | 8 | 62.8 Ų | 62.8 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.2 | -52.1 | 179.6 | -66.4 | 154.4 | 0 | 0 | 0 | 111.2 | L58 L109 H110 A113 M139 L140 I145 L146 S147 | L58-I143 HydrophobicContact CD2-CD1 4.42Å; L109-I143 HydrophobicContact CB-CG1 4.41Å; L109-I143 HydrophobicContact CB-CG2 3.75Å; H110-I143 VanDerWaalsContact CE1-CG2 3.47Å; H110-I143 WeakPolarHBondContact CE1-CG2 3.17Å; A113-I143 HydrophobicContact CB-CD1 3.56Å; A113-I143 HydrophobicContact CB-CG1 4.24Å; M139-I143 WeakPolarHBondContact O-CD1 3.38Å; M139-I143 VanDerWaalsContact O-CG1 3.22Å; M139-I143 WeakPolarHBondContact O-CG1 3.31Å; M139-I143 PolarHBondContact O-N 3.28Å; L140-I143 PolarHBondContact O-N 2.99Å; I143-I145 PolarHBondContact O-N 3.46Å; I143-L146 PolarHBondContact O-N 3.26Å; I143-S147 WeakPolarHBondContact O-CB 3.34Å; I143-S147 PolarHBondContact O-N 2.99Å; I143-S147 PolarHBondContact O-OG 3.15Å |
| 144 | W | 97.3 | Very high | 92 | Very high | 61 Ų | 61 | 58.1 Ų | 58.1 | 23% | 0.231 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.2 | -37.2 | -177.1 | -75.6 | 109.2 | 0 | 0 | 0 | 112.3 | S61 A65 M68 S106 H110 L140 I142 S147 L148 | S61-W144 PolarHBondContact OG-NE1 3.31Å; S61-W144 VanDerWaalsContact OG-NE1 3.1Å; A65-W144 HydrophobicContact CB-CH2 3.91Å; A65-W144 HydrophobicContact CB-CZ2 4.18Å; M68-W144 HydrophobicContact CE-CH2 4.48Å; M68-W144 HydrophobicContact CE-CZ3 4.4Å; M68-W144 HydrophobicContact SD-CH2 3.76Å; M68-W144 HydrophobicContact SD-CZ3 4.24Å; S106-W144 VanDerWaalsContact OG-CH2 3.29Å; S106-W144 WeakPolarHBondContact OG-CH2 3.42Å; S106-W144 WeakPolarHBondContact OG-CZ2 3.47Å; S106-W144 WeakPolarHBondContact OG-CZ3 3.47Å; H110-W144 AromaticContact CE1-CE2 3.88Å; H110-W144 AromaticContact CE1-NE1 3.74Å; H110-W144 AromaticContact NE2-NE1 3.96Å; L140-W144 VanDerWaalsContact O-CD1 3.32Å; L140-W144 PolarHBondContact O-N 3.08Å; I142-W144 PolarHBondContact O-N 3.43Å; W144-S147 PolarHBondContact O-N 3.46Å; W144-L148 WeakPolarHBondContact O-CG 3.29Å; W144-L148 PolarHBondContact O-N 3.17Å |
| 145 | I | 96.5 | Very high | 91 | Very high | 89 Ų | 89 | 57.2 Ų | 57.2 | 46% | 0.456 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.6 | -47.2 | 174.3 | -70.3 | 173.6 | 0 | 0 | 0 | 111.3 | I141 I142 I143 S147 L148 I149 | I141-I145 HydrophobicContact CG2-CD1 3.63Å; I141-I145 HydrophobicContact CG2-CG1 4.45Å; I141-I145 WeakPolarHBondContact O-CB 3.43Å; I141-I145 VanDerWaalsContact O-CG1 3.31Å; I141-I145 WeakPolarHBondContact O-CG1 3.36Å; I141-I145 PolarHBondContact O-N 2.91Å; I141-I145 VanDerWaalsContact O-N 3.08Å; I142-I145 PolarHBondContact O-N 3.5Å; I143-I145 PolarHBondContact O-N 3.46Å; I145-S147 VanDerWaalsContact C-N 3.32Å; I145-S147 PolarHBondContact O-N 2.96Å; I145-L148 PolarHBondContact O-N 3.4Å; I145-I149 HydrophobicContact CG2-CD1 3.68Å; I145-I149 HydrophobicContact CG2-CG1 4.42Å; I145-I149 VanDerWaalsContact O-CG1 3.31Å; I145-I149 WeakPolarHBondContact O-CG1 3.48Å; I145-I149 PolarHBondContact O-N 3.39Å |
| 146 | L | 94.3 | Very high | 89.7 | Confident | 75 Ų | 75 | 61.6 Ų | 61.6 | 39% | 0.393 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 177.6 | -72.1 | 174.8 | 0 | 0 | 0 | 111.9 | L109 I142 I143 L148 I149 I150 | L109-L146 HydrophobicContact CD1-CB 3.82Å; I142-L146 HydrophobicContact CG2-CD1 3.63Å; I142-L146 HydrophobicContact CG2-CG 4.16Å; I142-L146 WeakPolarHBondContact O-CB 3.21Å; I142-L146 VanDerWaalsContact O-CG 3.3Å; I142-L146 WeakPolarHBondContact O-CG 3.28Å; I142-L146 PolarHBondContact O-N 3.3Å; I143-L146 PolarHBondContact O-N 3.26Å; L146-L148 VanDerWaalsContact C-N 3.33Å; L146-L148 PolarHBondContact O-N 2.88Å; L146-I149 PolarHBondContact O-N 3.01Å; L146-I150 WeakPolarHBondContact O-CG1 3.42Å; L146-I150 PolarHBondContact O-N 2.89Å |
| 147 | S | 95.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 178.2 | -50.5 | 0 | 0 | 0 | 0 | 112 | S106 I143 W144 I145 S151 | S106-S147 VanDerWaalsContact CA-OG 3.27Å; S106-S147 WeakPolarHBondContact CA-OG 3.3Å; S106-S147 PolarHBondContact N-OG 2.93Å; I143-S147 WeakPolarHBondContact O-CB 3.34Å; I143-S147 PolarHBondContact O-N 2.99Å; I143-S147 PolarHBondContact O-OG 3.15Å; W144-S147 PolarHBondContact O-N 3.46Å; I145-S147 VanDerWaalsContact C-N 3.32Å; I145-S147 PolarHBondContact O-N 2.96Å; S147-S151 PolarHBondContact O-N 3.37Å; S147-S151 PolarHBondContact O-OG 2.85Å |
| 148 | L | 93 | Very high | 86.2 | Confident | 75 Ų | 75 | 72 Ų | 72 | 39% | 0.393 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.6 | -42 | 173 | -73.1 | 165.3 | 0 | 0 | 0 | 112.2 | L102 W144 I145 L146 I150 S151 L152 | L102-L148 HydrophobicContact CD1-CD2 3.76Å; L102-L148 HydrophobicContact CD1-CG 3.86Å; L102-L148 HydrophobicContact CD2-CD2 3.92Å; W144-L148 WeakPolarHBondContact O-CG 3.29Å; W144-L148 PolarHBondContact O-N 3.17Å; I145-L148 PolarHBondContact O-N 3.4Å; L146-L148 VanDerWaalsContact C-N 3.33Å; L146-L148 PolarHBondContact O-N 2.88Å; L148-I150 PolarHBondContact O-N 2.94Å; L148-S151 PolarHBondContact O-N 3.31Å; L148-S151 PolarHBondContact O-OG 3.18Å; L148-L152 WeakPolarHBondContact O-CB 3.45Å; L148-L152 WeakPolarHBondContact O-CD1 3.31Å; L148-L152 WeakPolarHBondContact O-CG 3.38Å; L148-L152 PolarHBondContact O-N 3.45Å |
| 149 | I | 91.3 | Very high | 84.3 | Confident | 102 Ų | 102 | 71.3 Ų | 71.3 | 52% | 0.523 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62 | -34.3 | 176.9 | -70.7 | 167.7 | 0 | 0 | 0 | 111.4 | I145 L146 P153 | I145-I149 HydrophobicContact CG2-CD1 3.68Å; I145-I149 HydrophobicContact CG2-CG1 4.42Å; I145-I149 VanDerWaalsContact O-CG1 3.31Å; I145-I149 WeakPolarHBondContact O-CG1 3.48Å; I145-I149 PolarHBondContact O-N 3.39Å; L146-I149 PolarHBondContact O-N 3.01Å; I149-P153 WeakPolarHBondContact O-CD 3.49Å; I149-P153 WeakPolarHBondContact O-CG 3.47Å |
| 150 | I | 89.2 | Confident | 82.7 | Confident | 48 Ų | 48 | 70.7 Ų | 70.7 | 25% | 0.246 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -78.5 | -34.4 | 177.6 | -69.1 | 165.4 | 0 | 0 | 0 | 112.1 | T105 L146 L148 A190 | T105-I150 HydrophobicContact CG2-CB 4.1Å; T105-I150 HydrophobicContact CG2-CD1 3.71Å; T105-I150 HydrophobicContact CG2-CG2 3.99Å; L146-I150 WeakPolarHBondContact O-CG1 3.42Å; L146-I150 PolarHBondContact O-N 2.89Å; L148-I150 PolarHBondContact O-N 2.94Å; I150-A190 HydrophobicContact CG2-CB 3.85Å |
| 151 | S | 89 | Confident | 81 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -82.6 | -34.9 | -179.3 | 71.7 | 0 | 0 | 0 | 0 | 114.2 | S147 L148 P153 T154 | S147-S151 PolarHBondContact O-N 3.37Å; S147-S151 PolarHBondContact O-OG 2.85Å; L148-S151 PolarHBondContact O-N 3.31Å; L148-S151 PolarHBondContact O-OG 3.18Å; S151-P153 VanDerWaalsContact C-CD 3.47Å; S151-T154 WeakPolarHBondContact O-CB 3.4Å; S151-T154 WeakPolarHBondContact O-CG2 3.36Å; S151-T154 PolarHBondContact O-N 3.11Å; S151-T154 VanDerWaalsContact O-N 3.11Å; S151-T154 PolarHBondContact O-OG1 3.41Å |
| 152 | L | 85.7 | Confident | 79.5 | Confident | 75 Ų | 75 | 76.5 Ų | 76.5 | 39% | 0.393 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -34.2 | -176.8 | -74.2 | 168 | 0 | 0 | 0 | 115.9 | L148 T154 R155 F156 | L148-L152 WeakPolarHBondContact O-CB 3.45Å; L148-L152 WeakPolarHBondContact O-CD1 3.31Å; L148-L152 WeakPolarHBondContact O-CG 3.38Å; L148-L152 PolarHBondContact O-N 3.45Å; L152-T154 PolarHBondContact O-N 2.92Å; L152-T154 VanDerWaalsContact O-N 3.13Å; L152-R155 PolarHBondContact O-N 3.27Å; L152-F156 HydrophobicContact CD2-CE2 4.3Å; L152-F156 PolarHBondContact O-N 2.95Å |
| 153 | P | 78.9 | Confident | 78.2 | Confident | 52 Ų | 52 | 78.2 Ų | 78.2 | 34% | 0.338 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -55.7 | -24.3 | 173.4 | -30.2 | 36.9 | 0 | 0 | 0 | 114.8 | I149 S151 R155 F156 H157 | I149-P153 WeakPolarHBondContact O-CD 3.49Å; I149-P153 WeakPolarHBondContact O-CG 3.47Å; S151-P153 VanDerWaalsContact C-CD 3.47Å; P153-R155 PolarHBondContact O-N 3.39Å; P153-F156 PolarHBondContact O-N 2.87Å; P153-H157 PolarHBondContact O-N 3.46Å |
| 154 | T | 74.9 | Confident | 76.8 | Confident | 3 Ų | 3 | 78.4 Ų | 78.4 | 2% | 0.018 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60 | -25.4 | 173.6 | 63.3 | 0 | 0 | 0 | 0 | 113 | I97 I98 V101 S151 L152 R160 I176 F182 | I97-T154 HydrophobicContact CG2-CG2 4.21Å; I98-T154 WeakPolarHBondContact CG1-OG1 3.31Å; V101-T154 HydrophobicContact CG2-CG2 4.3Å; S151-T154 WeakPolarHBondContact O-CB 3.4Å; S151-T154 WeakPolarHBondContact O-CG2 3.36Å; S151-T154 PolarHBondContact O-N 3.11Å; S151-T154 VanDerWaalsContact O-N 3.11Å; S151-T154 PolarHBondContact O-OG1 3.41Å; L152-T154 PolarHBondContact O-N 2.92Å; L152-T154 VanDerWaalsContact O-N 3.13Å; T154-R160 WeakPolarHBondContact O-CD 3.33Å; T154-R160 PolarHBondContact O-NE 2.95Å; T154-I176 HydrophobicContact CG2-CD1 4.18Å; T154-F182 HydrophobicContact CG2-CZ 4.21Å |
| 155 | R | 70 | Confident | 75.7 | Confident | 133 Ų | 133 | 79.4 Ų | 79.4 | 50% | 0.502 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -96.4 | -40.2 | 178.3 | -161.1 | 178.7 | -166.2 | -175.2 | -4 | 113.6 | D94 I98 L152 P153 | D94-R155 IonicContact OD2-NE 2.87Å; D94-R155 PolarHBondContact OD2-NE 3.42Å; I98-R155 HydrophobicContact CD1-CB 3.95Å; I98-R155 HydrophobicContact CD1-CG 4.19Å; L152-R155 PolarHBondContact O-N 3.27Å; P153-R155 PolarHBondContact O-N 3.39Å |
| 156 | F | 65.1 | Low | 74.7 | Confident | 147 Ų | 147 | 78.6 Ų | 78.6 | 65% | 0.645 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -92.9 | 3.3 | -168.9 | -71.2 | -73 | 0 | 0 | 0 | 114.9 | L152 P153 R158 | L152-F156 HydrophobicContact CD2-CE2 4.3Å; L152-F156 PolarHBondContact O-N 2.95Å; P153-F156 PolarHBondContact O-N 2.87Å; F156-R158 PolarHBondContact O-N 3.23Å; F156-R158 VanDerWaalsContact O-N 3.13Å |
| 157 | H | 60.6 | Low | 73.9 | Confident | 79 Ų | 79 | 77 Ų | 77 | 37% | 0.366 | 37% | 0.369 | S | S | . | . | trans | -67.2 | 112.5 | 175.6 | -162.8 | 74.8 | 0 | 0 | 0 | 111 | P153 S159 R160 F182 | P153-H157 PolarHBondContact O-N 3.46Å; H157-S159 PolarHBondContact O-N 2.87Å; H157-R160 WeakPolarHBondContact O-CB 3.34Å; H157-R160 PolarHBondContact O-N 3.41Å; H157-F182 HydrophobicContact CB-CD2 4.26Å; H157-F182 HydrophobicContact CB-CE2 4.15Å; H157-F182 AromaticContact CG-CD2 3.97Å | ||
| 158 | R | 53.1 | Low | 73.2 | Confident | 245 Ų | 245 | 77.1 Ų | 77.1 | 93% | 0.925 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -8.9 | -161.2 | -173.7 | 167.6 | 164.5 | 89 | -4 | 116.3 | F156 | F156-R158 PolarHBondContact O-N 3.23Å; F156-R158 VanDerWaalsContact O-N 3.13Å |
| 159 | S | 54.8 | Low | 72.4 | Confident | 66 Ų | 66 | 78.3 Ų | 78.3 | 46% | 0.462 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -9.5 | 175.1 | -146.5 | 0 | 0 | 0 | 0 | 114.4 | H157 N161 | H157-S159 PolarHBondContact O-N 2.87Å; S159-N161 PolarHBondContact O-N 3.31Å |
| 160 | R | 60.4 | Low | 71.7 | Confident | 12 Ų | 12 | 81.5 Ų | 81.5 | 5% | 0.045 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -71.9 | -23.7 | -165.9 | -179.4 | 169.5 | 154.2 | 95.9 | -6.2 | 114.8 | D94 T154 H157 L164 N175 | D94-R160 IonicContact OD1-CZ 3.29Å; D94-R160 IonicContact OD1-NE 2.88Å; D94-R160 PolarHBondContact OD1-NE 3.19Å; D94-R160 IonicContact OD1-NH2 2.74Å; D94-R160 PolarHBondContact OD1-NH2 3.39Å; T154-R160 WeakPolarHBondContact O-CD 3.33Å; T154-R160 PolarHBondContact O-NE 2.95Å; H157-R160 WeakPolarHBondContact O-CB 3.34Å; H157-R160 PolarHBondContact O-N 3.41Å; R160-L164 HydrophobicContact CG-CB 3.96Å; R160-L164 HydrophobicContact CG-CD2 4.24Å; R160-L164 VanDerWaalsContact CZ-CD2 3.49Å; R160-L164 WeakPolarHBondContact O-CB 3.36Å; R160-L164 PolarHBondContact O-N 3.03Å; R160-N175 PolarHBondContact NH1-O 3.21Å; R160-N175 VanDerWaalsContact NH1-O 3.12Å |
| 161 | N | 61.4 | Low | 71.3 | Confident | 127 Ų | 127 | 82.6 Ų | 82.6 | 68% | 0.679 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.7 | -55.4 | -170.6 | -73.9 | -5 | 0 | 0 | 0 | 113.1 | S159 Y165 | S159-N161 PolarHBondContact O-N 3.31Å; N161-Y165 WeakPolarHBondContact O-CB 3.05Å; N161-Y165 PolarHBondContact O-N 3.04Å |
| 162 | D | 66 | Low | 71.1 | Confident | 122 Ų | 122 | 82.9 Ų | 82.9 | 65% | 0.652 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -72.9 | -43.7 | -171.1 | -56.6 | -25.6 | 0 | 0 | 0 | 111.2 | N166 | D162-N166 WeakPolarHBondContact O-CB 3.19Å; D162-N166 PolarHBondContact O-N 3.05Å; D162-N166 PolarHBondContact O-ND2 3.36Å |
| 163 | H | 67.8 | Low | 71 | Confident | 124 Ų | 124 | 81.9 Ų | 81.9 | 57% | 0.574 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.3 | -45.7 | 177.3 | -73.7 | -75.9 | 0 | 0 | 0 | 112.6 | N166 D167 | H163-N166 PolarHBondContact O-N 3.19Å; H163-D167 WeakPolarHBondContact O-CB 3.48Å; H163-D167 PolarHBondContact O-N 2.83Å |
| 164 | L | 68.1 | Low | 71.4 | Confident | 11 Ų | 11 | 80 Ų | 80 | 6% | 0.058 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.3 | -39.3 | 178.3 | -175.3 | 72.6 | 0 | 0 | 0 | 112.1 | V90 R160 N166 D167 V168 | V90-L164 HydrophobicContact CG1-CD2 3.75Å; V90-L164 HydrophobicContact CG1-CG 4.42Å; R160-L164 HydrophobicContact CG-CB 3.96Å; R160-L164 HydrophobicContact CG-CD2 4.24Å; R160-L164 VanDerWaalsContact CZ-CD2 3.49Å; R160-L164 WeakPolarHBondContact O-CB 3.36Å; R160-L164 PolarHBondContact O-N 3.03Å; L164-N166 VanDerWaalsContact C-N 3.28Å; L164-N166 PolarHBondContact O-N 3.2Å; L164-D167 PolarHBondContact O-N 3.21Å; L164-V168 HydrophobicContact CD1-CG2 4.03Å; L164-V168 HydrophobicContact CG-CG2 4.21Å; L164-V168 WeakPolarHBondContact O-CB 3.46Å; L164-V168 WeakPolarHBondContact O-CG2 3.04Å; L164-V168 PolarHBondContact O-N 2.96Å |
| 165 | Y | 73.8 | Confident | 71.5 | Confident | 82 Ų | 82 | 80.9 Ų | 80.9 | 32% | 0.322 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 175.7 | -175.7 | -83.2 | 0 | 0 | 0 | 110.4 | N161 Y169 Y170 | N161-Y165 WeakPolarHBondContact O-CB 3.05Å; N161-Y165 PolarHBondContact O-N 3.04Å; Y165-Y169 HydrophobicContact CD1-CD2 4.07Å; Y165-Y169 AromaticContact CD2-CD2 3.57Å; Y165-Y169 HydrophobicContact CD2-CD2 3.57Å; Y165-Y169 AromaticContact CD2-CE2 3.64Å; Y165-Y169 HydrophobicContact CD2-CE2 3.64Å; Y165-Y169 AromaticContact CE1-CD2 3.93Å; Y165-Y169 HydrophobicContact CE1-CD2 3.93Å; Y165-Y169 HydrophobicContact CE1-CG 4.4Å; Y165-Y169 AromaticContact CE2-CD2 3.42Å; Y165-Y169 HydrophobicContact CE2-CD2 3.42Å; Y165-Y169 VanDerWaalsContact CE2-CD2 3.42Å; Y165-Y169 AromaticContact CE2-CE2 3.37Å; Y165-Y169 HydrophobicContact CE2-CE2 3.37Å; Y165-Y169 HydrophobicContact CE2-CG 4.43Å; Y165-Y169 AromaticContact CG-CD2 3.89Å; Y165-Y169 HydrophobicContact CG-CD2 3.89Å; Y165-Y169 HydrophobicContact CG-CE2 4.41Å; Y165-Y169 AromaticContact CZ-CD2 3.6Å; Y165-Y169 AromaticContact CZ-CE2 3.94Å; Y165-Y169 WeakPolarHBondContact O-CB 3.43Å; Y165-Y169 WeakPolarHBondContact O-CD2 3.37Å; Y165-Y169 PolarHBondContact O-N 3.43Å; Y165-Y170 HydrophobicContact CE1-CE2 4.37Å |
| 166 | N | 75.7 | Confident | 71.9 | Confident | 72 Ų | 72 | 77.4 Ų | 77.4 | 39% | 0.385 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.8 | -45.1 | 178.3 | -70.2 | -30 | 0 | 0 | 0 | 113.1 | D162 H163 L164 V168 Y170 V171 | D162-N166 WeakPolarHBondContact O-CB 3.19Å; D162-N166 PolarHBondContact O-N 3.05Å; D162-N166 PolarHBondContact O-ND2 3.36Å; H163-N166 PolarHBondContact O-N 3.19Å; L164-N166 VanDerWaalsContact C-N 3.28Å; L164-N166 PolarHBondContact O-N 3.2Å; N166-V168 VanDerWaalsContact C-N 3.33Å; N166-V168 PolarHBondContact O-N 3.32Å; N166-Y170 HydrophobicContact CB-CD2 4.29Å; N166-Y170 WeakPolarHBondContact O-CB 3.45Å; N166-Y170 PolarHBondContact O-N 3.14Å; N166-Y170 WeakPolarHBondContact OD1-CD2 3.45Å; N166-Y170 WeakPolarHBondContact OD1-CE2 3.29Å; N166-V171 PolarHBondContact O-N 2.71Å |
| 167 | D | 77.5 | Confident | 72.2 | Confident | 42 Ų | 42 | 71.7 Ų | 71.7 | 23% | 0.225 | 34% | 0.341 | C | S | . | . | I | π-helix | trans | -56.9 | -45.6 | 174.7 | -89.2 | 19 | 0 | 0 | 0 | 111.1 | H163 L164 V171 G172 E173 N175 | H163-D167 WeakPolarHBondContact O-CB 3.48Å; H163-D167 PolarHBondContact O-N 2.83Å; L164-D167 PolarHBondContact O-N 3.21Å; D167-V171 WeakPolarHBondContact O-CB 3.17Å; D167-V171 PolarHBondContact O-N 3Å; D167-G172 WeakPolarHBondContact O-CA 3.39Å; D167-G172 PolarHBondContact O-N 2.93Å; D167-E173 CarbonylContact C-O 3.54Å; D167-E173 PolarHBondContact O-N 3.34Å; D167-N175 PolarHBondContact OD2-ND2 2.93Å |
| 168 | V | 80.5 | Confident | 72.6 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.012 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -77.8 | -41.8 | -175.6 | 170.3 | 0 | 0 | 0 | 0 | 113 | V90 C93 L164 N166 | V90-V168 HydrophobicContact CG2-CB 3.8Å; V90-V168 HydrophobicContact CG2-CG1 3.65Å; V90-V168 HydrophobicContact CG2-CG2 4.2Å; C93-V168 HydrophobicContact CB-CG2 4.35Å; L164-V168 HydrophobicContact CD1-CG2 4.03Å; L164-V168 HydrophobicContact CG-CG2 4.21Å; L164-V168 WeakPolarHBondContact O-CB 3.46Å; L164-V168 WeakPolarHBondContact O-CG2 3.04Å; L164-V168 PolarHBondContact O-N 2.96Å; N166-V168 VanDerWaalsContact C-N 3.33Å; N166-V168 PolarHBondContact O-N 3.32Å |
| 169 | Y | 77.3 | Confident | 73.7 | Confident | 100 Ų | 100 | 64.6 Ų | 64.6 | 39% | 0.392 | 32% | 0.319 | S | S | . | . | I | π-helix | trans | -91.2 | -30.3 | -174.6 | -77.6 | -73.2 | 0 | 0 | 0 | 115.1 | V90 Y165 | V90-Y169 HydrophobicContact CG2-CD2 4.08Å; V90-Y169 HydrophobicContact CG2-CE2 3.62Å; Y165-Y169 HydrophobicContact CD1-CD2 4.07Å; Y165-Y169 AromaticContact CD2-CD2 3.57Å; Y165-Y169 HydrophobicContact CD2-CD2 3.57Å; Y165-Y169 AromaticContact CD2-CE2 3.64Å; Y165-Y169 HydrophobicContact CD2-CE2 3.64Å; Y165-Y169 AromaticContact CE1-CD2 3.93Å; Y165-Y169 HydrophobicContact CE1-CD2 3.93Å; Y165-Y169 HydrophobicContact CE1-CG 4.4Å; Y165-Y169 AromaticContact CE2-CD2 3.42Å; Y165-Y169 HydrophobicContact CE2-CD2 3.42Å; Y165-Y169 VanDerWaalsContact CE2-CD2 3.42Å; Y165-Y169 AromaticContact CE2-CE2 3.37Å; Y165-Y169 HydrophobicContact CE2-CE2 3.37Å; Y165-Y169 HydrophobicContact CE2-CG 4.43Å; Y165-Y169 AromaticContact CG-CD2 3.89Å; Y165-Y169 HydrophobicContact CG-CD2 3.89Å; Y165-Y169 HydrophobicContact CG-CE2 4.41Å; Y165-Y169 AromaticContact CZ-CD2 3.6Å; Y165-Y169 AromaticContact CZ-CE2 3.94Å; Y165-Y169 WeakPolarHBondContact O-CB 3.43Å; Y165-Y169 WeakPolarHBondContact O-CD2 3.37Å; Y165-Y169 PolarHBondContact O-N 3.43Å |
| 170 | Y | 76.7 | Confident | 74.9 | Confident | 169 Ų | 169 | 67.6 Ų | 67.6 | 66% | 0.663 | 32% | 0.321 | S | S | * | . | I | π-helix | trans | -105.7 | -44.5 | -178 | -61.6 | -63.7 | 0 | 0 | 0 | 113 | Y165 N166 | Y165-Y170 HydrophobicContact CE1-CE2 4.37Å; N166-Y170 HydrophobicContact CB-CD2 4.29Å; N166-Y170 WeakPolarHBondContact O-CB 3.45Å; N166-Y170 PolarHBondContact O-N 3.14Å; N166-Y170 WeakPolarHBondContact OD1-CD2 3.45Å; N166-Y170 WeakPolarHBondContact OD1-CE2 3.29Å |
| 171 | V | 81.1 | Confident | 75.9 | Confident | 72 Ų | 72 | 74 Ų | 74 | 44% | 0.436 | 36% | 0.355 | S | S | . | . | I | π-helix | trans | -77.3 | -47.6 | 177.5 | -167.4 | 0 | 0 | 0 | 0 | 110.1 | K85 N166 D167 E173 | K85-V171 PolarHBondContact NZ-O 2.81Å; N166-V171 PolarHBondContact O-N 2.71Å; D167-V171 WeakPolarHBondContact O-CB 3.17Å; D167-V171 PolarHBondContact O-N 3Å; V171-E173 HydrophobicContact CG1-CG 4Å |
| 172 | G | 83 | Confident | 76.7 | Confident | 5 Ų | 5 | 68.8 Ų | 68.8 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | trans | 87.8 | 28.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K85 W86 D167 | K85-G172 CarbonylContact C-O 3.57Å; K85-G172 WeakPolarHBondContact CA-O 3.39Å; W86-G172 PolarHBondContact N-O 3.5Å; D167-G172 WeakPolarHBondContact O-CA 3.39Å; D167-G172 PolarHBondContact O-N 2.93Å | ||
| 173 | E | 84 | Confident | 77.4 | Confident | 54 Ų | 54 | 63.5 Ų | 63.5 | 25% | 0.252 | 30% | 0.298 | S | S | . | . | trans | -104 | 140 | 170.6 | -68.3 | -169.8 | 170.2 | 0 | 0 | 110.3 | D167 V171 N175 K178 R1064 | D167-E173 CarbonylContact C-O 3.54Å; D167-E173 PolarHBondContact O-N 3.34Å; V171-E173 HydrophobicContact CG1-CG 4Å; E173-N175 VanDerWaalsContact CB-ND2 3.26Å; E173-N175 WeakPolarHBondContact CB-ND2 3.48Å; E173-N175 PolarHBondContact OE2-ND2 2.95Å; E173-N175 PolarHBondContact OE2-OD1 3.43Å; E173-K178 IonicContact OE2-NZ 2.63Å; E173-K178 PolarHBondContact OE2-NZ 3.3Å; E173-R1064 IonicContact OE1-CZ 3.63Å; E173-R1064 IonicContact OE1-NH1 2.75Å; E173-R1064 PolarHBondContact OE1-NH1 3.27Å; E173-R1064 IonicContact OE1-NH2 3.59Å; E173-R1064 IonicContact OE2-NH1 3.34Å; E173-R1064 PolarHBondContact OE2-NH1 2.93Å; E173-R1064 IonicContact OE2-NH2 3.86Å | ||
| 174 | C | 87 | Confident | 78.2 | Confident | 14 Ų | 14 | 60.9 Ų | 60.9 | 10% | 0.095 | 29% | 0.288 | C | S | . | . | trans | -107.1 | 99.2 | 165.3 | 171.7 | 0 | 0 | 0 | 0 | 109.2 | W86 C93 W96 | W86-C174 HydrophobicContact CB-CB 3.96Å; W86-C174 HydrophobicContact CD2-CB 3.35Å; W86-C174 HydrophobicContact CE3-CB 3.57Å; W86-C174 HydrophobicContact CG-CB 3.52Å; W86-C174 HydrophobicContact CZ3-CB 4.22Å; C93-C174 WeakPolarHBondContact CA-SG 3.26Å; C93-C174 HydrophobicContact CB-CB 3.94Å; C93-C174 WeakPolarHBondContact CB-SG 3.37Å; C93-C174 VanDerWaalsContact SG-CA 3.55Å; C93-C174 WeakPolarHBondContact SG-CB 3.39Å; C93-C174 CovalentContact SG-SG 2.03Å; C93-C174 PolarHBondContact SG-SG 3.17Å; W96-C174 VanDerWaalsContact CE3-SG 3.57Å; W96-C174 HydrophobicContact CZ3-CB 4.17Å | ||
| 175 | N | 78.6 | Confident | 78.9 | Confident | 20 Ų | 20 | 67.7 Ų | 67.7 | 11% | 0.107 | 32% | 0.317 | C | S | . | . | trans | -111.1 | 154.9 | -177.7 | -59.8 | -65.7 | 0 | 0 | 0 | 112.4 | I97 R160 D167 E173 K178 | I97-N175 VanDerWaalsContact CD1-O 3.25Å; I97-N175 WeakPolarHBondContact CD1-O 3.28Å; R160-N175 PolarHBondContact NH1-O 3.21Å; R160-N175 VanDerWaalsContact NH1-O 3.12Å; D167-N175 PolarHBondContact OD2-ND2 2.93Å; E173-N175 VanDerWaalsContact CB-ND2 3.26Å; E173-N175 WeakPolarHBondContact CB-ND2 3.48Å; E173-N175 PolarHBondContact OE2-ND2 2.95Å; E173-N175 PolarHBondContact OE2-OD1 3.43Å; N175-K178 PolarHBondContact ND2-NZ 3.06Å; N175-K178 WeakPolarHBondContact OD1-CE 3.46Å; N175-K178 PolarHBondContact OD1-NZ 3.46Å | ||
| 176 | I | 76.8 | Confident | 79.3 | Confident | 60 Ų | 60 | 65.1 Ų | 65.1 | 31% | 0.308 | 31% | 0.311 | S | S | . | . | trans | -69.9 | 156.9 | 153.7 | -159.6 | 166.6 | 0 | 0 | 0 | 109.6 | I97 T154 K178 F182 | I97-I176 HydrophobicContact CG2-CD1 4.36Å; I97-I176 HydrophobicContact CG2-CG1 4.28Å; T154-I176 HydrophobicContact CG2-CD1 4.18Å; I176-K178 PolarHBondContact O-N 3.35Å; I176-F182 HydrophobicContact CD1-CE1 3.92Å; I176-F182 HydrophobicContact CG1-CE1 3.79Å | ||
| 177 | N | 71.9 | Confident | 79.9 | Confident | 28 Ų | 28 | 62 Ų | 62 | 15% | 0.15 | 30% | 0.295 | C | S | . | . | trans | -60.8 | 128.7 | 178.6 | -173.9 | 12.2 | 0 | 0 | 0 | 111 | D179 F182 T183 | N177-D179 PolarHBondContact ND2-OD2 3.49Å; N177-D179 PolarHBondContact OD1-N 3.29Å; N177-D179 PolarHBondContact OD1-OD2 3.29Å; N177-F182 HydrophobicContact CB-CD1 3.92Å; N177-F182 HydrophobicContact CB-CE1 4.34Å; N177-F182 HydrophobicContact CB-CG 4.15Å; N177-T183 PolarHBondContact O-OG1 2.78Å | ||
| 178 | K | 69.1 | Low | 80.4 | Confident | 100 Ų | 100 | 63 Ų | 63 | 44% | 0.435 | 30% | 0.302 | S | S | . | . | trans | -90.3 | 0.2 | -174.8 | -63.5 | 172.9 | -178 | 163.2 | 0 | 113.3 | E173 N175 I176 Y180 | E173-K178 IonicContact OE2-NZ 2.63Å; E173-K178 PolarHBondContact OE2-NZ 3.3Å; N175-K178 PolarHBondContact ND2-NZ 3.06Å; N175-K178 WeakPolarHBondContact OD1-CE 3.46Å; N175-K178 PolarHBondContact OD1-NZ 3.46Å; I176-K178 PolarHBondContact O-N 3.35Å; K178-Y180 PolarHBondContact O-N 3.1Å | ||
| 179 | D | 76.4 | Confident | 80.6 | Confident | 74 Ų | 74 | 64 Ų | 64 | 40% | 0.396 | 31% | 0.314 | S | S | . | . | trans | -53.8 | 125.2 | 173.1 | -76.9 | -33.1 | 0 | 0 | 0 | 111.9 | N177 I181 F182 T183 | N177-D179 PolarHBondContact ND2-OD2 3.49Å; N177-D179 PolarHBondContact OD1-N 3.29Å; N177-D179 PolarHBondContact OD1-OD2 3.29Å; D179-I181 VanDerWaalsContact C-N 3.31Å; D179-I181 PolarHBondContact O-N 3.42Å; D179-I181 VanDerWaalsContact O-N 3.16Å; D179-F182 HydrophobicContact CB-CB 3.98Å; D179-F182 WeakPolarHBondContact O-CA 3.35Å; D179-F182 WeakPolarHBondContact O-CB 3.37Å; D179-F182 PolarHBondContact O-N 3.25Å; D179-T183 PolarHBondContact O-N 3.44Å; D179-T183 PolarHBondContact O-OG1 3.47Å; D179-T183 VanDerWaalsContact O-OG1 3.12Å | ||
| 180 | Y | 79.8 | Confident | 81 | Confident | 129 Ų | 129 | 59.8 Ų | 59.8 | 51% | 0.506 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -47 | -49.6 | -177.5 | -61.9 | -88.5 | 0 | 0 | 0 | 113.7 | K178 F182 T183 I184 P1056 | K178-Y180 PolarHBondContact O-N 3.1Å; Y180-F182 VanDerWaalsContact C-N 3.34Å; Y180-F182 PolarHBondContact O-N 3.05Å; Y180-T183 PolarHBondContact O-N 2.74Å; Y180-I184 WeakPolarHBondContact O-CB 3.41Å; Y180-I184 WeakPolarHBondContact O-CD1 3.44Å; Y180-I184 WeakPolarHBondContact O-CG1 3.22Å; Y180-I184 PolarHBondContact O-N 2.82Å; Y180-P1056 HydrophobicContact CD1-CB 3.74Å; Y180-P1056 HydrophobicContact CE1-CB 3.75Å; Y180-P1056 WeakPolarHBondContact CE1-O 3.28Å |
| 181 | I | 81.8 | Confident | 81.8 | Confident | 147 Ų | 147 | 51.8 Ų | 51.8 | 75% | 0.754 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -63.3 | -42 | -179.2 | -59.8 | 174.2 | 0 | 0 | 0 | 110.7 | D179 F185 | D179-I181 VanDerWaalsContact C-N 3.31Å; D179-I181 PolarHBondContact O-N 3.42Å; D179-I181 VanDerWaalsContact O-N 3.16Å; I181-F185 VanDerWaalsContact O-CB 3.26Å; I181-F185 WeakPolarHBondContact O-CB 3.38Å; I181-F185 PolarHBondContact O-N 3.14Å |
| 182 | F | 78 | Confident | 82.4 | Confident | 18 Ų | 18 | 50 Ų | 50 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.4 | -46 | 178 | -175.4 | -82.4 | 0 | 0 | 0 | 111.2 | T154 H157 I176 N177 D179 Y180 F185 S186 | T154-F182 HydrophobicContact CG2-CZ 4.21Å; H157-F182 HydrophobicContact CB-CD2 4.26Å; H157-F182 HydrophobicContact CB-CE2 4.15Å; H157-F182 AromaticContact CG-CD2 3.97Å; I176-F182 HydrophobicContact CD1-CE1 3.92Å; I176-F182 HydrophobicContact CG1-CE1 3.79Å; N177-F182 HydrophobicContact CB-CD1 3.92Å; N177-F182 HydrophobicContact CB-CE1 4.34Å; N177-F182 HydrophobicContact CB-CG 4.15Å; D179-F182 HydrophobicContact CB-CB 3.98Å; D179-F182 WeakPolarHBondContact O-CA 3.35Å; D179-F182 WeakPolarHBondContact O-CB 3.37Å; D179-F182 PolarHBondContact O-N 3.25Å; Y180-F182 VanDerWaalsContact C-N 3.34Å; Y180-F182 PolarHBondContact O-N 3.05Å; F182-F185 PolarHBondContact O-N 2.98Å; F182-S186 VanDerWaalsContact O-CB 3.29Å; F182-S186 WeakPolarHBondContact O-CB 3.4Å; F182-S186 PolarHBondContact O-N 3.33Å; F182-S186 PolarHBondContact O-OG 2.93Å |
| 183 | T | 81.1 | Confident | 82.9 | Confident | 11 Ų | 11 | 55 Ų | 55 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.9 | -44 | -179.4 | -51.2 | 0 | 0 | 0 | 0 | 111.4 | N177 D179 Y180 S186 T187 T1052 P1056 | N177-T183 PolarHBondContact O-OG1 2.78Å; D179-T183 PolarHBondContact O-N 3.44Å; D179-T183 PolarHBondContact O-OG1 3.47Å; D179-T183 VanDerWaalsContact O-OG1 3.12Å; Y180-T183 PolarHBondContact O-N 2.74Å; T183-S186 PolarHBondContact O-OG 2.68Å; T183-T187 HydrophobicContact CG2-CG2 4.44Å; T183-T187 WeakPolarHBondContact O-CB 3.18Å; T183-T187 VanDerWaalsContact O-CG2 3.28Å; T183-T187 WeakPolarHBondContact O-CG2 3.38Å; T183-T187 PolarHBondContact O-N 3.39Å; T183-T187 VanDerWaalsContact O-N 3.08Å; T183-T187 PolarHBondContact O-OG1 2.76Å; T183-T1052 HydrophobicContact CG2-CG2 4.22Å; T183-P1056 HydrophobicContact CG2-CG 4.04Å |
| 184 | I | 83.8 | Confident | 83.3 | Confident | 69 Ų | 69 | 52.7 Ų | 52.7 | 35% | 0.354 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.3 | -51.1 | 176.3 | -65.4 | 163.5 | 0 | 0 | 0 | 110.4 | Y180 S186 T187 V188 F1057 | Y180-I184 WeakPolarHBondContact O-CB 3.41Å; Y180-I184 WeakPolarHBondContact O-CD1 3.44Å; Y180-I184 WeakPolarHBondContact O-CG1 3.22Å; Y180-I184 PolarHBondContact O-N 2.82Å; I184-S186 PolarHBondContact O-N 3.04Å; I184-T187 PolarHBondContact O-OG1 3.05Å; I184-V188 HydrophobicContact CG2-CG2 4.32Å; I184-V188 VanDerWaalsContact O-CB 3.28Å; I184-V188 WeakPolarHBondContact O-CB 3.47Å; I184-V188 WeakPolarHBondContact O-CG2 3.28Å; I184-V188 PolarHBondContact O-N 2.93Å; I184-F1057 HydrophobicContact CD1-CZ 3.97Å; I184-F1057 HydrophobicContact CG1-CZ 4.35Å |
| 185 | F | 83.1 | Confident | 83.7 | Confident | 153 Ų | 153 | 53.2 Ų | 53.2 | 67% | 0.671 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.3 | -44.6 | -177.2 | -177.2 | -95.8 | 0 | 0 | 0 | 112.8 | I181 F182 G189 | I181-F185 VanDerWaalsContact O-CB 3.26Å; I181-F185 WeakPolarHBondContact O-CB 3.38Å; I181-F185 PolarHBondContact O-N 3.14Å; F182-F185 PolarHBondContact O-N 2.98Å; F185-G189 PolarHBondContact O-N 3.24Å |
| 186 | S | 82.7 | Confident | 84.4 | Confident | 28 Ų | 28 | 56.7 Ų | 56.7 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.7 | -47.3 | -179.4 | 56.8 | 0 | 0 | 0 | 0 | 112.6 | F182 T183 I184 G189 A190 | F182-S186 VanDerWaalsContact O-CB 3.29Å; F182-S186 WeakPolarHBondContact O-CB 3.4Å; F182-S186 PolarHBondContact O-N 3.33Å; F182-S186 PolarHBondContact O-OG 2.93Å; T183-S186 PolarHBondContact O-OG 2.68Å; I184-S186 PolarHBondContact O-N 3.04Å; S186-G189 PolarHBondContact O-N 3.15Å; S186-A190 WeakPolarHBondContact O-CB 3.34Å; S186-A190 PolarHBondContact O-N 2.97Å |
| 187 | T | 87.3 | Confident | 85.3 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 178.9 | 57.3 | 0 | 0 | 0 | 0 | 112.5 | T183 I184 F191 Y192 F1049 T1052 | T183-T187 HydrophobicContact CG2-CG2 4.44Å; T183-T187 WeakPolarHBondContact O-CB 3.18Å; T183-T187 VanDerWaalsContact O-CG2 3.28Å; T183-T187 WeakPolarHBondContact O-CG2 3.38Å; T183-T187 PolarHBondContact O-N 3.39Å; T183-T187 VanDerWaalsContact O-N 3.08Å; T183-T187 PolarHBondContact O-OG1 2.76Å; I184-T187 PolarHBondContact O-OG1 3.05Å; T187-F191 PolarHBondContact O-N 3.43Å; T187-Y192 WeakPolarHBondContact O-CD2 3.31Å; T187-Y192 PolarHBondContact O-N 2.89Å; T187-F1049 HydrophobicContact CG2-CD1 4.31Å; T187-T1052 HydrophobicContact CG2-CG2 3.97Å |
| 188 | V | 88 | Confident | 86.4 | Confident | 63 Ų | 63 | 57.8 Ų | 57.8 | 38% | 0.382 | 29% | 0.293 | S | S | . | . | I | π-helix | trans | -66.5 | -44.7 | 176.5 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | I184 Y192 L193 | I184-V188 HydrophobicContact CG2-CG2 4.32Å; I184-V188 VanDerWaalsContact O-CB 3.28Å; I184-V188 WeakPolarHBondContact O-CB 3.47Å; I184-V188 WeakPolarHBondContact O-CG2 3.28Å; I184-V188 PolarHBondContact O-N 2.93Å; V188-Y192 HydrophobicContact CG2-CD2 4.37Å; V188-Y192 PolarHBondContact O-N 3.23Å; V188-L193 VanDerWaalsContact O-CB 3.31Å; V188-L193 WeakPolarHBondContact O-CB 3.46Å; V188-L193 PolarHBondContact O-N 2.96Å |
| 189 | G | 84.9 | Confident | 87.6 | Confident | 24 Ų | 24 | 56.8 Ų | 56.8 | 25% | 0.247 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -67.8 | -44.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | F185 S186 P194 | F185-G189 PolarHBondContact O-N 3.24Å; S186-G189 PolarHBondContact O-N 3.15Å; G189-P194 WeakPolarHBondContact O-CD 3.26Å |
| 190 | A | 86.5 | Confident | 88.4 | Confident | 10 Ų | 10 | 54.9 Ų | 54.9 | 8% | 0.083 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -77.2 | -35.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | I150 S186 | I150-A190 HydrophobicContact CG2-CB 3.85Å; S186-A190 WeakPolarHBondContact O-CB 3.34Å; S186-A190 PolarHBondContact O-N 2.97Å |
| 191 | F | 92.2 | Very high | 89.1 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.009 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -124.6 | -59.5 | -170.5 | -176.2 | -102.5 | 0 | 0 | 0 | 114.3 | I108 T187 L193 P194 M195 F1041 L1042 W1045 L1046 F1049 | I108-F191 HydrophobicContact CD1-CD2 3.82Å; I108-F191 HydrophobicContact CD1-CE2 4.15Å; T187-F191 PolarHBondContact O-N 3.43Å; F191-L193 PolarHBondContact O-N 2.74Å; F191-P194 WeakPolarHBondContact O-CD 3.22Å; F191-M195 HydrophobicContact CE1-CE 4.36Å; F191-M195 HydrophobicContact CE1-SD 3.66Å; F191-M195 HydrophobicContact CZ-SD 3.85Å; F191-M195 WeakPolarHBondContact O-CB 3.47Å; F191-M195 PolarHBondContact O-N 3.45Å; F191-F1041 HydrophobicContact CD2-CE1 4.42Å; F191-F1041 AromaticContact CE2-CE1 3.9Å; F191-F1041 HydrophobicContact CE2-CE1 3.9Å; F191-L1042 HydrophobicContact CZ-CD2 4.39Å; F191-W1045 HydrophobicContact CD2-CB 4.38Å; F191-W1045 HydrophobicContact CE2-CB 3.6Å; F191-W1045 HydrophobicContact CZ-CB 4.19Å; F191-L1046 HydrophobicContact CE1-CB 4.43Å; F191-L1046 HydrophobicContact CE1-CD1 3.84Å; F191-L1046 HydrophobicContact CZ-CB 4.09Å; F191-L1046 HydrophobicContact CZ-CD1 4.31Å; F191-F1049 HydrophobicContact CB-CD1 3.81Å; F191-F1049 HydrophobicContact CB-CD2 3.79Å; F191-F1049 HydrophobicContact CB-CE1 3.82Å; F191-F1049 HydrophobicContact CB-CE2 3.8Å; F191-F1049 HydrophobicContact CB-CG 3.81Å; F191-F1049 HydrophobicContact CB-CZ 3.82Å; F191-F1049 HydrophobicContact CD1-CB 3.66Å; F191-F1049 HydrophobicContact CD1-CD1 4.41Å; F191-F1049 AromaticContact CD1-CD2 3.64Å; F191-F1049 HydrophobicContact CD1-CD2 3.64Å; F191-F1049 HydrophobicContact CD1-CE2 4.42Å; F191-F1049 AromaticContact CD1-CG 3.64Å; F191-F1049 HydrophobicContact CD1-CG 3.64Å; F191-F1049 AromaticContact CD2-CD2 3.29Å; F191-F1049 HydrophobicContact CD2-CD2 3.29Å; F191-F1049 AromaticContact CD2-CE2 3.35Å; F191-F1049 HydrophobicContact CD2-CE2 3.35Å; F191-F1049 HydrophobicContact CD2-CG 4.09Å; F191-F1049 HydrophobicContact CD2-CZ 4.18Å; F191-F1049 HydrophobicContact CE1-CB 3.96Å; F191-F1049 AromaticContact CE1-CD2 3.99Å; F191-F1049 HydrophobicContact CE1-CD2 3.99Å; F191-F1049 HydrophobicContact CE1-CG 4.21Å; F191-F1049 AromaticContact CE2-CD2 3.66Å; F191-F1049 HydrophobicContact CE2-CD2 3.66Å; F191-F1049 AromaticContact CE2-CE2 3.98Å; F191-F1049 HydrophobicContact CE2-CE2 3.98Å; F191-F1049 HydrophobicContact CG-CB 4.14Å; F191-F1049 HydrophobicContact CG-CD1 4.12Å; F191-F1049 AromaticContact CG-CD2 3.27Å; F191-F1049 HydrophobicContact CG-CD2 3.27Å; F191-F1049 HydrophobicContact CG-CE1 4.39Å; F191-F1049 AromaticContact CG-CE2 3.6Å; F191-F1049 HydrophobicContact CG-CE2 3.6Å; F191-F1049 AromaticContact CG-CG 3.57Å; F191-F1049 HydrophobicContact CG-CG 3.57Å; F191-F1049 HydrophobicContact CG-CZ 4.16Å; F191-F1049 HydrophobicContact CZ-CD2 4Å |
| 192 | Y | 93.3 | Very high | 89.6 | Confident | 33 Ų | 33 | 43.8 Ų | 43.8 | 13% | 0.129 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -67.9 | -38.1 | -167.3 | -66.3 | -74.4 | 0 | 0 | 0 | 113.9 | T187 V188 M195 T196 L1046 F1049 L1050 L1053 | T187-Y192 WeakPolarHBondContact O-CD2 3.31Å; T187-Y192 PolarHBondContact O-N 2.89Å; V188-Y192 HydrophobicContact CG2-CD2 4.37Å; V188-Y192 PolarHBondContact O-N 3.23Å; Y192-M195 HydrophobicContact CD1-CE 3.78Å; Y192-M195 HydrophobicContact CE1-CE 4.38Å; Y192-T196 WeakPolarHBondContact O-CB 3.39Å; Y192-T196 PolarHBondContact O-N 3.35Å; Y192-T196 PolarHBondContact O-OG1 3.24Å; Y192-L1046 HydrophobicContact CE1-CD1 4.34Å; Y192-F1049 HydrophobicContact CE2-CB 4.37Å; Y192-F1049 PolarHBondContact OH-O 3.06Å; Y192-L1050 WeakPolarHBondContact OH-CA 3.02Å; Y192-L1050 PolarHBondContact OH-N 3Å; Y192-L1053 HydrophobicContact CE2-CB 4.41Å; Y192-L1053 HydrophobicContact CE2-CD2 3.99Å |
| 193 | L | 93.5 | Very high | 90.2 | Very high | 112 Ų | 112 | 46.3 Ų | 46.3 | 59% | 0.586 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -67.3 | -53.1 | 175.9 | -179 | 168.2 | 0 | 0 | 0 | 111.4 | V188 F191 M195 T196 F197 | V188-L193 VanDerWaalsContact O-CB 3.31Å; V188-L193 WeakPolarHBondContact O-CB 3.46Å; V188-L193 PolarHBondContact O-N 2.96Å; F191-L193 PolarHBondContact O-N 2.74Å; L193-M195 VanDerWaalsContact C-N 3.34Å; L193-M195 PolarHBondContact O-N 3.37Å; L193-T196 PolarHBondContact O-N 2.91Å; L193-F197 PolarHBondContact O-N 3.09Å; L193-F197 VanDerWaalsContact O-N 3.11Å |
| 194 | P | 94.1 | Very high | 90.8 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.032 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.4 | -38.2 | 175.1 | -23.7 | 33.4 | 0 | 0 | 0 | 113.5 | I108 L109 V112 G189 F191 F197 L198 | I108-P194 HydrophobicContact CD1-CB 3.92Å; I108-P194 HydrophobicContact CG1-CB 3.99Å; I108-P194 HydrophobicContact CG2-CB 3.99Å; I108-P194 HydrophobicContact CG2-CG 4.35Å; L109-P194 HydrophobicContact CD2-CB 4.18Å; L109-P194 HydrophobicContact CD2-CG 4.16Å; V112-P194 HydrophobicContact CG2-CB 4.42Å; G189-P194 WeakPolarHBondContact O-CD 3.26Å; F191-P194 WeakPolarHBondContact O-CD 3.22Å; P194-F197 PolarHBondContact O-N 3.11Å; P194-L198 WeakPolarHBondContact O-CB 3.48Å; P194-L198 PolarHBondContact O-N 3.02Å |
| 195 | M | 94.4 | Very high | 91.1 | Very high | 25 Ų | 25 | 48.4 Ų | 48.4 | 12% | 0.123 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58 | -49.8 | 173.9 | 172.3 | 178.7 | 82 | 0 | 0 | 111.9 | I108 F191 Y192 L193 F197 L198 I199 L1042 L1046 | I108-M195 HydrophobicContact CD1-CB 4.21Å; F191-M195 HydrophobicContact CE1-CE 4.36Å; F191-M195 HydrophobicContact CE1-SD 3.66Å; F191-M195 HydrophobicContact CZ-SD 3.85Å; F191-M195 WeakPolarHBondContact O-CB 3.47Å; F191-M195 PolarHBondContact O-N 3.45Å; Y192-M195 HydrophobicContact CD1-CE 3.78Å; Y192-M195 HydrophobicContact CE1-CE 4.38Å; L193-M195 VanDerWaalsContact C-N 3.34Å; L193-M195 PolarHBondContact O-N 3.37Å; M195-F197 VanDerWaalsContact C-N 3.31Å; M195-F197 PolarHBondContact O-N 3.3Å; M195-L198 WeakPolarHBondContact O-CB 3.1Å; M195-L198 PolarHBondContact O-N 3.16Å; M195-I199 HydrophobicContact CG-CD1 3.73Å; M195-I199 HydrophobicContact CG-CG1 4.44Å; M195-I199 WeakPolarHBondContact O-CG1 3.37Å; M195-I199 PolarHBondContact O-N 3.17Å; M195-I199 HydrophobicContact SD-CD1 4.43Å; M195-L1042 HydrophobicContact CB-CD2 4.2Å; M195-L1042 HydrophobicContact CG-CD2 3.58Å; M195-L1042 HydrophobicContact SD-CD2 3.89Å; M195-L1046 HydrophobicContact CE-CD1 4.38Å; M195-L1046 HydrophobicContact SD-CD1 4.11Å |
| 196 | T | 94.5 | Very high | 91.4 | Very high | 92 Ų | 92 | 48 Ų | 48 | 56% | 0.564 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63.4 | -41.2 | -176.3 | -59 | 0 | 0 | 0 | 0 | 110.7 | Y192 L193 G200 | Y192-T196 WeakPolarHBondContact O-CB 3.39Å; Y192-T196 PolarHBondContact O-N 3.35Å; Y192-T196 PolarHBondContact O-OG1 3.24Å; L193-T196 PolarHBondContact O-N 2.91Å; T196-G200 PolarHBondContact O-N 3.48Å |
| 197 | F | 95.5 | Very high | 91.7 | Very high | 112 Ų | 112 | 50.1 Ų | 50.1 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 175.1 | -173.4 | -121.5 | 0 | 0 | 0 | 112.5 | V112 I116 L193 P194 M195 G200 I201 | V112-F197 HydrophobicContact CG1-CD1 3.59Å; V112-F197 HydrophobicContact CG1-CE1 3.62Å; V112-F197 HydrophobicContact CG2-CD1 4.4Å; I116-F197 HydrophobicContact CD1-CE1 4.2Å; L193-F197 PolarHBondContact O-N 3.09Å; L193-F197 VanDerWaalsContact O-N 3.11Å; P194-F197 PolarHBondContact O-N 3.11Å; M195-F197 VanDerWaalsContact C-N 3.31Å; M195-F197 PolarHBondContact O-N 3.3Å; F197-G200 PolarHBondContact O-N 2.91Å; F197-I201 HydrophobicContact CD1-CD1 3.81Å; F197-I201 HydrophobicContact CE1-CD1 3.62Å; F197-I201 HydrophobicContact CE2-CD1 4.38Å; F197-I201 HydrophobicContact CG-CD1 4.29Å; F197-I201 HydrophobicContact CZ-CD1 3.93Å; F197-I201 HydrophobicContact CZ-CG1 4.47Å; F197-I201 WeakPolarHBondContact O-CG1 3.32Å; F197-I201 PolarHBondContact O-N 3.09Å |
| 198 | L | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59 | -48.4 | 175.7 | -174.8 | 59.9 | 0 | 0 | 0 | 111.9 | I108 L111 V112 A115 P194 M195 G200 I201 Y202 T1038 | I108-L198 HydrophobicContact CG1-CD2 4.43Å; L111-L198 HydrophobicContact CB-CD1 4.18Å; L111-L198 HydrophobicContact CB-CD2 4.02Å; V112-L198 HydrophobicContact CG2-CB 3.93Å; V112-L198 HydrophobicContact CG2-CD1 4.04Å; V112-L198 HydrophobicContact CG2-CG 4.46Å; A115-L198 HydrophobicContact CB-CD1 3.83Å; P194-L198 WeakPolarHBondContact O-CB 3.48Å; P194-L198 PolarHBondContact O-N 3.02Å; M195-L198 WeakPolarHBondContact O-CB 3.1Å; M195-L198 PolarHBondContact O-N 3.16Å; L198-G200 VanDerWaalsContact C-N 3.35Å; L198-G200 PolarHBondContact O-N 2.9Å; L198-I201 PolarHBondContact O-N 3.32Å; L198-Y202 HydrophobicContact CD1-CD2 4.05Å; L198-Y202 HydrophobicContact CD1-CE2 3.73Å; L198-Y202 HydrophobicContact CG-CD2 4.28Å; L198-Y202 HydrophobicContact CG-CE2 4.3Å; L198-Y202 WeakPolarHBondContact O-CD2 3.41Å; L198-Y202 PolarHBondContact O-N 3.46Å; L198-T1038 HydrophobicContact CD1-CG2 4.34Å; L198-T1038 HydrophobicContact CD2-CG2 3.69Å; L198-T1038 HydrophobicContact CG-CG2 3.83Å |
| 199 | I | 93.6 | Very high | 91.5 | Very high | 78 Ų | 78 | 49.1 Ų | 49.1 | 40% | 0.4 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60 | -46.2 | 175.1 | -67 | 167.1 | 0 | 0 | 0 | 110.1 | M195 I201 Y202 V203 L1042 | M195-I199 HydrophobicContact CG-CD1 3.73Å; M195-I199 HydrophobicContact CG-CG1 4.44Å; M195-I199 WeakPolarHBondContact O-CG1 3.37Å; M195-I199 PolarHBondContact O-N 3.17Å; M195-I199 HydrophobicContact SD-CD1 4.43Å; I199-I201 VanDerWaalsContact C-N 3.34Å; I199-I201 PolarHBondContact O-N 2.95Å; I199-Y202 PolarHBondContact O-N 3Å; I199-V203 HydrophobicContact CG2-CG2 4.47Å; I199-V203 WeakPolarHBondContact O-CG2 3.4Å; I199-V203 PolarHBondContact O-N 3.45Å; I199-L1042 HydrophobicContact CD1-CD1 4.26Å; I199-L1042 HydrophobicContact CG1-CD1 4.07Å |
| 200 | G | 94.4 | Very high | 91.5 | Very high | 35 Ų | 35 | 55.9 Ų | 55.9 | 36% | 0.361 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -55.3 | -45.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | T196 F197 L198 V203 K204 | T196-G200 PolarHBondContact O-N 3.48Å; F197-G200 PolarHBondContact O-N 2.91Å; L198-G200 VanDerWaalsContact C-N 3.35Å; L198-G200 PolarHBondContact O-N 2.9Å; G200-V203 PolarHBondContact O-N 3.42Å; G200-K204 VanDerWaalsContact O-CG 3.3Å; G200-K204 WeakPolarHBondContact O-CG 3.43Å; G200-K204 PolarHBondContact O-N 3.01Å; G200-K204 VanDerWaalsContact O-N 3.07Å |
| 201 | I | 94.3 | Very high | 91.4 | Very high | 15 Ų | 15 | 63.4 Ų | 63.4 | 8% | 0.077 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 176.1 | -64 | 158.1 | 0 | 0 | 0 | 110.9 | V112 A115 I116 F197 L198 I199 V203 K204 I205 | V112-I201 HydrophobicContact CG1-CD1 4.26Å; A115-I201 HydrophobicContact CB-CB 4.25Å; A115-I201 HydrophobicContact CB-CD1 4.45Å; A115-I201 HydrophobicContact CB-CG2 3.69Å; I116-I201 HydrophobicContact CD1-CD1 4.48Å; I116-I201 HydrophobicContact CG1-CD1 3.79Å; F197-I201 HydrophobicContact CD1-CD1 3.81Å; F197-I201 HydrophobicContact CE1-CD1 3.62Å; F197-I201 HydrophobicContact CE2-CD1 4.38Å; F197-I201 HydrophobicContact CG-CD1 4.29Å; F197-I201 HydrophobicContact CZ-CD1 3.93Å; F197-I201 HydrophobicContact CZ-CG1 4.47Å; F197-I201 WeakPolarHBondContact O-CG1 3.32Å; F197-I201 PolarHBondContact O-N 3.09Å; L198-I201 PolarHBondContact O-N 3.32Å; I199-I201 VanDerWaalsContact C-N 3.34Å; I199-I201 PolarHBondContact O-N 2.95Å; I201-V203 VanDerWaalsContact C-N 3.34Å; I201-V203 PolarHBondContact O-N 3.28Å; I201-K204 CarbonylContact O-C 3.36Å; I201-K204 WeakPolarHBondContact O-CA 3.39Å; I201-K204 WeakPolarHBondContact O-CB 3.16Å; I201-K204 PolarHBondContact O-N 3.08Å; I201-K204 VanDerWaalsContact O-N 3.08Å; I201-I205 HydrophobicContact CG2-CD1 3.92Å; I201-I205 HydrophobicContact CG2-CG1 4.27Å; I201-I205 WeakPolarHBondContact O-CG1 3.38Å; I201-I205 PolarHBondContact O-N 2.96Å |
| 202 | Y | 91.4 | Very high | 90.6 | Very high | 27 Ų | 27 | 65.9 Ų | 65.9 | 11% | 0.106 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.6 | -35 | 179.2 | -86.6 | -72.2 | 0 | 0 | 0 | 113.4 | A115 L198 I199 I205 Y206 L1034 S1035 T1038 | A115-Y202 HydrophobicContact CB-CD2 4.29Å; A115-Y202 HydrophobicContact CB-CE2 3.74Å; L198-Y202 HydrophobicContact CD1-CD2 4.05Å; L198-Y202 HydrophobicContact CD1-CE2 3.73Å; L198-Y202 HydrophobicContact CG-CD2 4.28Å; L198-Y202 HydrophobicContact CG-CE2 4.3Å; L198-Y202 WeakPolarHBondContact O-CD2 3.41Å; L198-Y202 PolarHBondContact O-N 3.46Å; I199-Y202 PolarHBondContact O-N 3Å; Y202-I205 HydrophobicContact CD1-CD1 4.03Å; Y202-I205 HydrophobicContact CE1-CD1 4.16Å; Y202-I205 PolarHBondContact O-N 3.47Å; Y202-Y206 WeakPolarHBondContact O-CB 3.19Å; Y202-Y206 PolarHBondContact O-N 3.48Å; Y202-L1034 PolarHBondContact OH-O 3.45Å; Y202-S1035 WeakPolarHBondContact CD1-OG 3.38Å; Y202-S1035 WeakPolarHBondContact CE1-OG 3.37Å; Y202-T1038 HydrophobicContact CD2-CG2 3.89Å; Y202-T1038 HydrophobicContact CE2-CG2 3.63Å; Y202-T1038 WeakPolarHBondContact CE2-OG1 3.24Å; Y202-T1038 VanDerWaalsContact CZ-OG1 3.28Å; Y202-T1038 PolarHBondContact OH-OG1 2.72Å |
| 203 | V | 91.5 | Very high | 89.7 | Confident | 72 Ų | 72 | 69.3 Ų | 69.3 | 44% | 0.436 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 170.2 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | I199 G200 I201 Y206 Q207 | I199-V203 HydrophobicContact CG2-CG2 4.47Å; I199-V203 WeakPolarHBondContact O-CG2 3.4Å; I199-V203 PolarHBondContact O-N 3.45Å; G200-V203 PolarHBondContact O-N 3.42Å; I201-V203 VanDerWaalsContact C-N 3.34Å; I201-V203 PolarHBondContact O-N 3.28Å; V203-Y206 PolarHBondContact O-N 3.49Å; V203-Q207 WeakPolarHBondContact O-CB 3.34Å; V203-Q207 VanDerWaalsContact O-CG 3.28Å; V203-Q207 WeakPolarHBondContact O-CG 3.12Å; V203-Q207 PolarHBondContact O-N 3.05Å |
| 204 | K | 93.3 | Very high | 88.9 | Confident | 113 Ų | 113 | 69.6 Ų | 69.6 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.4 | -36.1 | 175.6 | -63.3 | -72.3 | -178.2 | -178.9 | 0 | 112.5 | Y119 G200 I201 A208 | Y119-K204 HydrophobicContact CD2-CB 4.15Å; Y119-K204 HydrophobicContact CE2-CB 3.65Å; G200-K204 VanDerWaalsContact O-CG 3.3Å; G200-K204 WeakPolarHBondContact O-CG 3.43Å; G200-K204 PolarHBondContact O-N 3.01Å; G200-K204 VanDerWaalsContact O-N 3.07Å; I201-K204 CarbonylContact O-C 3.36Å; I201-K204 WeakPolarHBondContact O-CA 3.39Å; I201-K204 WeakPolarHBondContact O-CB 3.16Å; I201-K204 PolarHBondContact O-N 3.08Å; I201-K204 VanDerWaalsContact O-N 3.08Å; K204-A208 VanDerWaalsContact O-CB 3.28Å; K204-A208 WeakPolarHBondContact O-CB 3.4Å; K204-A208 PolarHBondContact O-N 2.83Å |
| 205 | I | 90.2 | Very high | 88.1 | Confident | 10 Ų | 10 | 78.1 Ų | 78.1 | 5% | 0.051 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.2 | -50 | 172.1 | -70.3 | 169.6 | 0 | 0 | 0 | 110.3 | R118 Y119 I122 I201 Y202 Q207 A208 A209 | R118-I205 HydrophobicContact CB-CD1 4.24Å; Y119-I205 HydrophobicContact CD2-CG1 3.9Å; Y119-I205 HydrophobicContact CG-CG1 4.38Å; I122-I205 HydrophobicContact CD1-CG2 3.75Å; I201-I205 HydrophobicContact CG2-CD1 3.92Å; I201-I205 HydrophobicContact CG2-CG1 4.27Å; I201-I205 WeakPolarHBondContact O-CG1 3.38Å; I201-I205 PolarHBondContact O-N 2.96Å; Y202-I205 HydrophobicContact CD1-CD1 4.03Å; Y202-I205 HydrophobicContact CE1-CD1 4.16Å; Y202-I205 PolarHBondContact O-N 3.47Å; I205-Q207 PolarHBondContact O-N 3.31Å; I205-A208 PolarHBondContact O-N 3.2Å; I205-A209 WeakPolarHBondContact O-CB 3.43Å; I205-A209 PolarHBondContact O-N 3.32Å |
| 206 | Y | 88.5 | Confident | 86.9 | Confident | 146 Ų | 146 | 82.9 Ų | 82.9 | 57% | 0.573 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60 | -44.8 | 178.4 | 174.3 | -95.7 | 0 | 0 | 0 | 111.6 | Y202 V203 A209 R210 | Y202-Y206 WeakPolarHBondContact O-CB 3.19Å; Y202-Y206 PolarHBondContact O-N 3.48Å; V203-Y206 PolarHBondContact O-N 3.49Å; Y206-A209 PolarHBondContact O-N 3.32Å; Y206-R210 VanDerWaalsContact O-CB 3.32Å; Y206-R210 WeakPolarHBondContact O-CB 3.38Å; Y206-R210 PolarHBondContact O-N 3.4Å |
| 207 | Q | 90.3 | Very high | 85.8 | Confident | 71 Ų | 71 | 82.9 Ų | 82.9 | 33% | 0.332 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 173.8 | -72.8 | 175.2 | 3.8 | 0 | 0 | 111.9 | V203 I205 R210 R211 | V203-Q207 WeakPolarHBondContact O-CB 3.34Å; V203-Q207 VanDerWaalsContact O-CG 3.28Å; V203-Q207 WeakPolarHBondContact O-CG 3.12Å; V203-Q207 PolarHBondContact O-N 3.05Å; I205-Q207 PolarHBondContact O-N 3.31Å; Q207-R210 PolarHBondContact O-N 2.8Å; Q207-R211 VanDerWaalsContact O-CB 3.28Å; Q207-R211 WeakPolarHBondContact O-CB 3.39Å; Q207-R211 WeakPolarHBondContact O-CD 3.05Å; Q207-R211 WeakPolarHBondContact O-CG 3.42Å; Q207-R211 PolarHBondContact O-N 3.06Å |
| 208 | A | 87.4 | Confident | 84.7 | Confident | 15 Ų | 15 | 81.9 Ų | 81.9 | 12% | 0.124 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I122 T123 K204 I205 R211 R212 | I122-A208 HydrophobicContact CG2-CB 3.96Å; T123-A208 HydrophobicContact CG2-CB 4.38Å; K204-A208 VanDerWaalsContact O-CB 3.28Å; K204-A208 WeakPolarHBondContact O-CB 3.4Å; K204-A208 PolarHBondContact O-N 2.83Å; I205-A208 PolarHBondContact O-N 3.2Å; A208-R211 PolarHBondContact O-N 3.01Å; A208-R212 PolarHBondContact O-N 3.42Å |
| 209 | A | 82.4 | Confident | 83.6 | Confident | 35 Ų | 35 | 90 Ų | 90 | 29% | 0.289 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.6 | -49.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | I205 Y206 R211 R212 I213 | I205-A209 WeakPolarHBondContact O-CB 3.43Å; I205-A209 PolarHBondContact O-N 3.32Å; Y206-A209 PolarHBondContact O-N 3.32Å; A209-R211 VanDerWaalsContact C-N 3.31Å; A209-R211 PolarHBondContact O-N 3.48Å; A209-R212 PolarHBondContact O-N 3.47Å; A209-R212 VanDerWaalsContact O-N 3.15Å; A209-I213 WeakPolarHBondContact O-CG1 3.18Å; A209-I213 PolarHBondContact O-N 2.87Å |
| 210 | R | 84.8 | Confident | 82.3 | Confident | 165 Ų | 165 | 88.9 Ų | 88.9 | 62% | 0.623 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.9 | -38.2 | 176.6 | -171.6 | 173.2 | 175.5 | -170.9 | -6 | 111.7 | Y206 Q207 I213 R214 | Y206-R210 VanDerWaalsContact O-CB 3.32Å; Y206-R210 WeakPolarHBondContact O-CB 3.38Å; Y206-R210 PolarHBondContact O-N 3.4Å; Q207-R210 PolarHBondContact O-N 2.8Å; R210-I213 PolarHBondContact O-N 3.38Å; R210-R214 PolarHBondContact O-N 2.93Å |
| 211 | R | 84.3 | Confident | 81.1 | Confident | 168 Ų | 168 | 94 Ų | 94 | 63% | 0.634 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.2 | -43.9 | 172.5 | -74 | 167.4 | 179 | -173 | -1.3 | 112.3 | Q207 A208 A209 I213 R215 | Q207-R211 VanDerWaalsContact O-CB 3.28Å; Q207-R211 WeakPolarHBondContact O-CB 3.39Å; Q207-R211 WeakPolarHBondContact O-CD 3.05Å; Q207-R211 WeakPolarHBondContact O-CG 3.42Å; Q207-R211 PolarHBondContact O-N 3.06Å; A208-R211 PolarHBondContact O-N 3.01Å; A209-R211 VanDerWaalsContact C-N 3.31Å; A209-R211 PolarHBondContact O-N 3.48Å; R211-I213 VanDerWaalsContact C-N 3.34Å; R211-R215 WeakPolarHBondContact O-CB 3.37Å; R211-R215 WeakPolarHBondContact O-CG 3.48Å; R211-R215 PolarHBondContact O-N 3.31Å |
| 212 | R | 75.4 | Confident | 79.9 | Confident | 54 Ų | 54 | 96 Ų | 96 | 20% | 0.204 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 173.9 | -80.4 | -175.3 | 172 | -175.6 | 5 | 111.5 | A121 I122 T123 A208 A209 R216 | A121-R212 PolarHBondContact O-NH1 2.91Å; A121-R212 PolarHBondContact O-NH2 2.87Å; A121-R212 VanDerWaalsContact O-NH2 3.17Å; I122-R212 VanDerWaalsContact C-NH2 3.29Å; I122-R212 PolarHBondContact O-NE 3.26Å; I122-R212 PolarHBondContact O-NH2 2.92Å; I122-R212 VanDerWaalsContact O-NH2 3.14Å; T123-R212 PolarHBondContact O-NH2 2.71Å; A208-R212 PolarHBondContact O-N 3.42Å; A209-R212 PolarHBondContact O-N 3.47Å; A209-R212 VanDerWaalsContact O-N 3.15Å; R212-R216 WeakPolarHBondContact O-CG 3.09Å; R212-R216 PolarHBondContact O-N 3.2Å; R212-R216 VanDerWaalsContact O-N 3.08Å |
| 213 | I | 74.4 | Confident | 78.7 | Confident | 105 Ų | 105 | 99.1 Ų | 99.1 | 54% | 0.538 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.2 | -53.9 | 175.8 | -66.3 | 163.8 | 0 | 0 | 0 | 111 | A209 R210 R211 R215 R216 T217 | A209-I213 WeakPolarHBondContact O-CG1 3.18Å; A209-I213 PolarHBondContact O-N 2.87Å; R210-I213 PolarHBondContact O-N 3.38Å; R211-I213 VanDerWaalsContact C-N 3.34Å; I213-R215 VanDerWaalsContact C-N 3.26Å; I213-R215 PolarHBondContact O-N 3.13Å; I213-R216 WeakPolarHBondContact O-CA 3.49Å; I213-R216 WeakPolarHBondContact O-CB 3.26Å; I213-R216 PolarHBondContact O-N 3.37Å; I213-T217 PolarHBondContact O-N 2.99Å; I213-T217 PolarHBondContact O-OG1 3.13Å |
| 214 | R | 77.4 | Confident | 77.5 | Confident | 118 Ų | 118 | 97.9 Ų | 97.9 | 45% | 0.445 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -55.7 | -40.3 | 177.7 | -177.2 | 173.8 | 172.1 | 152.5 | 8 | 111.6 | R210 T217 L218 E374 | R210-R214 PolarHBondContact O-N 2.93Å; R214-T217 PolarHBondContact O-N 3.13Å; R214-L218 HydrophobicContact CG-CD1 3.99Å; R214-L218 HydrophobicContact CG-CG 4.41Å; R214-L218 WeakPolarHBondContact O-CB 3.44Å; R214-L218 VanDerWaalsContact O-CG 3.31Å; R214-L218 WeakPolarHBondContact O-CG 3.33Å; R214-L218 PolarHBondContact O-N 3.36Å; R214-E374 IonicContact CZ-OE1 3.51Å; R214-E374 IonicContact NH1-OE1 2.68Å; R214-E374 PolarHBondContact NH1-OE1 2.91Å; R214-E374 VanDerWaalsContact NH1-OE1 3.08Å; R214-E374 IonicContact NH2-OE1 3.8Å; R214-E374 PolarHBondContact NH2-OE1 2.92Å; R214-E374 IonicContact NH2-OE2 3.91Å |
| 215 | R | 77.6 | Confident | 76.3 | Confident | 185 Ų | 185 | 94.9 Ų | 94.9 | 70% | 0.698 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.4 | -33.5 | 174.5 | -75.4 | 178.5 | 176.1 | -173.4 | -1.7 | 113.6 | R211 I213 R219 | R211-R215 WeakPolarHBondContact O-CB 3.37Å; R211-R215 WeakPolarHBondContact O-CG 3.48Å; R211-R215 PolarHBondContact O-N 3.31Å; I213-R215 VanDerWaalsContact C-N 3.26Å; I213-R215 PolarHBondContact O-N 3.13Å; R215-R219 WeakPolarHBondContact O-CB 3.47Å; R215-R219 WeakPolarHBondContact O-CG 3.26Å; R215-R219 PolarHBondContact O-N 3.32Å |
| 216 | R | 69 | Low | 75.1 | Confident | 124 Ų | 124 | 97.8 Ų | 97.8 | 47% | 0.468 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.5 | -45 | 173.2 | -77.5 | 176.6 | 174.6 | 162.9 | 1 | 111.4 | R212 I213 L218 R219 A220 C1024 | R212-R216 WeakPolarHBondContact O-CG 3.09Å; R212-R216 PolarHBondContact O-N 3.2Å; R212-R216 VanDerWaalsContact O-N 3.08Å; I213-R216 WeakPolarHBondContact O-CA 3.49Å; I213-R216 WeakPolarHBondContact O-CB 3.26Å; I213-R216 PolarHBondContact O-N 3.37Å; R216-L218 PolarHBondContact O-N 3.11Å; R216-R219 PolarHBondContact O-N 3.42Å; R216-A220 WeakPolarHBondContact O-CB 3.46Å; R216-A220 PolarHBondContact O-N 3.49Å; R216-C1024 PolarHBondContact NH2-SG 2.93Å |
| 217 | T | 71.7 | Confident | 73.3 | Confident | 92 Ų | 92 | 91.9 Ų | 91.9 | 56% | 0.564 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -60.7 | -44.9 | 175.5 | -50.2 | 0 | 0 | 0 | 0 | 111.7 | I213 R214 R219 A220 F221 | I213-T217 PolarHBondContact O-N 2.99Å; I213-T217 PolarHBondContact O-OG1 3.13Å; R214-T217 PolarHBondContact O-N 3.13Å; T217-R219 PolarHBondContact O-N 3.13Å; T217-A220 PolarHBondContact O-N 3.48Å; T217-F221 WeakPolarHBondContact O-CB 3.36Å; T217-F221 PolarHBondContact O-N 2.63Å |
| 218 | L | 72.8 | Confident | 72 | Confident | 91 Ų | 91 | 91.5 Ų | 91.5 | 48% | 0.476 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65 | -37.2 | 177.1 | -71.8 | 171.1 | 0 | 0 | 0 | 113.1 | R214 R216 F221 S222 | R214-L218 HydrophobicContact CG-CD1 3.99Å; R214-L218 HydrophobicContact CG-CG 4.41Å; R214-L218 WeakPolarHBondContact O-CB 3.44Å; R214-L218 VanDerWaalsContact O-CG 3.31Å; R214-L218 WeakPolarHBondContact O-CG 3.33Å; R214-L218 PolarHBondContact O-N 3.36Å; R216-L218 PolarHBondContact O-N 3.11Å; L218-F221 PolarHBondContact O-N 3.43Å; L218-S222 WeakPolarHBondContact O-CB 3.24Å; L218-S222 PolarHBondContact O-N 3.38Å; L218-S222 PolarHBondContact O-OG 3Å |
| 219 | R | 71.7 | Confident | 70.6 | Confident | 170 Ų | 170 | 94.6 Ų | 94.6 | 64% | 0.642 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -69.2 | -37.7 | 173.7 | -77.8 | 178.5 | 175.5 | -169.3 | -3.8 | 112.8 | R215 R216 T217 S222 I223 | R215-R219 WeakPolarHBondContact O-CB 3.47Å; R215-R219 WeakPolarHBondContact O-CG 3.26Å; R215-R219 PolarHBondContact O-N 3.32Å; R216-R219 PolarHBondContact O-N 3.42Å; T217-R219 PolarHBondContact O-N 3.13Å; R219-S222 WeakPolarHBondContact CA-OG 3.4Å; R219-S222 PolarHBondContact O-OG 3.21Å; R219-S222 VanDerWaalsContact O-OG 3.08Å; R219-I223 WeakPolarHBondContact O-CB 3.21Å; R219-I223 WeakPolarHBondContact O-CD1 3.23Å; R219-I223 VanDerWaalsContact O-CG1 3.22Å; R219-I223 WeakPolarHBondContact O-CG1 3.34Å; R219-I223 PolarHBondContact O-N 3.11Å |
| 220 | A | 66 | Low | 69.4 | Low | 55 Ų | 55 | 100 Ų | 100 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R216 T217 I223 V224 | R216-A220 WeakPolarHBondContact O-CB 3.46Å; R216-A220 PolarHBondContact O-N 3.49Å; T217-A220 PolarHBondContact O-N 3.48Å; A220-I223 PolarHBondContact O-N 2.63Å; A220-V224 WeakPolarHBondContact O-CG2 3.36Å; A220-V224 PolarHBondContact O-N 2.99Å |
| 221 | F | 69.1 | Low | 67.5 | Low | 143 Ų | 143 | 94.1 Ų | 94.1 | 63% | 0.627 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60.4 | -49.5 | 174.5 | -171.1 | -96 | 0 | 0 | 0 | 111.7 | T217 L218 I223 V224 T225 | T217-F221 WeakPolarHBondContact O-CB 3.36Å; T217-F221 PolarHBondContact O-N 2.63Å; L218-F221 PolarHBondContact O-N 3.43Å; F221-I223 VanDerWaalsContact C-N 3.32Å; F221-I223 PolarHBondContact O-N 2.95Å; F221-V224 PolarHBondContact O-N 3.36Å; F221-V224 VanDerWaalsContact O-N 3.11Å; F221-T225 WeakPolarHBondContact CE1-OG1 3.47Å; F221-T225 PolarHBondContact O-N 3.44Å; F221-T225 PolarHBondContact O-OG1 2.89Å; F221-T225 VanDerWaalsContact O-OG1 3.06Å |
| 222 | S | 68.4 | Low | 66.2 | Low | 58 Ų | 58 | 90.3 Ų | 90.3 | 41% | 0.406 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.8 | -36.1 | 179.8 | 68.3 | 0 | 0 | 0 | 0 | 113 | L218 R219 T225 S226 | L218-S222 WeakPolarHBondContact O-CB 3.24Å; L218-S222 PolarHBondContact O-N 3.38Å; L218-S222 PolarHBondContact O-OG 3Å; R219-S222 WeakPolarHBondContact CA-OG 3.4Å; R219-S222 PolarHBondContact O-OG 3.21Å; R219-S222 VanDerWaalsContact O-OG 3.08Å; S222-T225 PolarHBondContact O-N 2.92Å; S222-S226 WeakPolarHBondContact O-CB 3.22Å; S222-S226 PolarHBondContact O-N 2.97Å; S222-S226 PolarHBondContact O-OG 3.3Å; S222-S226 VanDerWaalsContact O-OG 3.06Å |
| 223 | I | 67.4 | Low | 65.1 | Low | 91 Ų | 91 | 92.6 Ų | 92.6 | 47% | 0.467 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 173.6 | -70 | 165.2 | 0 | 0 | 0 | 110.5 | R219 A220 F221 S226 C227 | R219-I223 WeakPolarHBondContact O-CB 3.21Å; R219-I223 WeakPolarHBondContact O-CD1 3.23Å; R219-I223 VanDerWaalsContact O-CG1 3.22Å; R219-I223 WeakPolarHBondContact O-CG1 3.34Å; R219-I223 PolarHBondContact O-N 3.11Å; A220-I223 PolarHBondContact O-N 2.63Å; F221-I223 VanDerWaalsContact C-N 3.32Å; F221-I223 PolarHBondContact O-N 2.95Å; I223-S226 PolarHBondContact O-N 3.29Å; I223-C227 PolarHBondContact O-N 3.07Å |
| 224 | V | 65.2 | Low | 63.5 | Low | 47 Ų | 47 | 89 Ų | 89 | 29% | 0.285 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 175.9 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | A220 F221 S226 C227 S228 | A220-V224 WeakPolarHBondContact O-CG2 3.36Å; A220-V224 PolarHBondContact O-N 2.99Å; F221-V224 PolarHBondContact O-N 3.36Å; F221-V224 VanDerWaalsContact O-N 3.11Å; V224-S226 PolarHBondContact O-N 2.92Å; V224-C227 PolarHBondContact O-N 2.97Å; V224-S228 PolarHBondContact O-N 3.31Å; V224-S228 PolarHBondContact O-OG 2.97Å |
| 225 | T | 67.4 | Low | 61.7 | Low | 50 Ų | 50 | 87.4 Ų | 87.4 | 31% | 0.307 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 176 | -50.9 | 0 | 0 | 0 | 0 | 111.8 | F221 S222 C227 S228 N229 | F221-T225 WeakPolarHBondContact CE1-OG1 3.47Å; F221-T225 PolarHBondContact O-N 3.44Å; F221-T225 PolarHBondContact O-OG1 2.89Å; F221-T225 VanDerWaalsContact O-OG1 3.06Å; S222-T225 PolarHBondContact O-N 2.92Å; T225-C227 VanDerWaalsContact C-N 3.29Å; T225-C227 PolarHBondContact O-N 2.89Å; T225-S228 PolarHBondContact O-N 2.9Å; T225-N229 WeakPolarHBondContact O-CB 3.47Å; T225-N229 PolarHBondContact O-N 3.39Å; T225-N229 PolarHBondContact O-OD1 3.37Å |
| 226 | S | 66 | Low | 60.3 | Low | 70 Ų | 70 | 83.4 Ų | 83.4 | 49% | 0.49 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.8 | -33.7 | 176.1 | -65.8 | 0 | 0 | 0 | 0 | 113 | S222 I223 V224 K230 | S222-S226 WeakPolarHBondContact O-CB 3.22Å; S222-S226 PolarHBondContact O-N 2.97Å; S222-S226 PolarHBondContact O-OG 3.3Å; S222-S226 VanDerWaalsContact O-OG 3.06Å; I223-S226 PolarHBondContact O-N 3.29Å; V224-S226 PolarHBondContact O-N 2.92Å; S226-K230 WeakPolarHBondContact O-CB 3.49Å; S226-K230 WeakPolarHBondContact O-CG 3.23Å; S226-K230 PolarHBondContact O-N 3.21Å; S226-K230 VanDerWaalsContact O-N 3.11Å |
| 227 | C | 51 | Low | 59 | Low | 23 Ų | 23 | 84.1 Ų | 84.1 | 16% | 0.155 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -72.1 | -39.6 | 172.5 | -76.2 | 0 | 0 | 0 | 0 | 112.6 | I223 V224 T225 L231 I260 | I223-C227 PolarHBondContact O-N 3.07Å; V224-C227 PolarHBondContact O-N 2.97Å; T225-C227 VanDerWaalsContact C-N 3.29Å; T225-C227 PolarHBondContact O-N 2.89Å; C227-L231 PolarHBondContact O-N 2.74Å; C227-I260 WeakPolarHBondContact SG-CG2 3.45Å |
| 228 | S | 63.3 | Low | 57.5 | Low | 63 Ų | 63 | 83.4 Ų | 83.4 | 44% | 0.441 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 173.4 | -67.8 | 0 | 0 | 0 | 0 | 111.7 | V224 T225 L231 T232 | V224-S228 PolarHBondContact O-N 3.31Å; V224-S228 PolarHBondContact O-OG 2.97Å; T225-S228 PolarHBondContact O-N 2.9Å; S228-L231 WeakPolarHBondContact O-CB 3.34Å; S228-L231 PolarHBondContact O-N 2.66Å; S228-L231 VanDerWaalsContact O-N 3.15Å; S228-T232 PolarHBondContact O-N 2.98Å; S228-T232 PolarHBondContact O-OG1 3.23Å |
| 229 | N | 58 | Low | 55.7 | Low | 80 Ų | 80 | 86.4 Ų | 86.4 | 43% | 0.428 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 179.2 | -72.2 | 29.3 | 0 | 0 | 0 | 111.7 | T225 L231 T232 E233 | T225-N229 WeakPolarHBondContact O-CB 3.47Å; T225-N229 PolarHBondContact O-N 3.39Å; T225-N229 PolarHBondContact O-OD1 3.37Å; N229-L231 VanDerWaalsContact C-N 3.26Å; N229-L231 PolarHBondContact O-N 3Å; N229-T232 WeakPolarHBondContact CA-OG1 3.43Å; N229-T232 PolarHBondContact O-N 3.26Å; N229-T232 VanDerWaalsContact O-N 3.07Å; N229-T232 PolarHBondContact O-OG1 3.11Å; N229-E233 WeakPolarHBondContact O-CB 3.41Å; N229-E233 VanDerWaalsContact O-CG 3.31Å; N229-E233 WeakPolarHBondContact O-CG 3.49Å; N229-E233 PolarHBondContact O-N 2.97Å |
| 230 | K | 56.5 | Low | 53.9 | Low | 149 Ų | 149 | 87.8 Ų | 87.8 | 65% | 0.648 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.9 | -26.3 | 174.7 | -75.6 | -169.5 | 172.4 | -159.6 | 0 | 114 | S226 G234 | S226-K230 WeakPolarHBondContact O-CB 3.49Å; S226-K230 WeakPolarHBondContact O-CG 3.23Å; S226-K230 PolarHBondContact O-N 3.21Å; S226-K230 VanDerWaalsContact O-N 3.11Å; K230-G234 PolarHBondContact O-N 3.35Å |
| 231 | L | 45.9 | Very low | 52.2 | Low | 41 Ų | 41 | 88.6 Ų | 88.6 | 22% | 0.215 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -68.6 | -47.5 | 167.6 | -109.3 | 66 | 0 | 0 | 0 | 110.5 | C227 S228 N229 G234 F235 F255 | C227-L231 PolarHBondContact O-N 2.74Å; S228-L231 WeakPolarHBondContact O-CB 3.34Å; S228-L231 PolarHBondContact O-N 2.66Å; S228-L231 VanDerWaalsContact O-N 3.15Å; N229-L231 VanDerWaalsContact C-N 3.26Å; N229-L231 PolarHBondContact O-N 3Å; L231-G234 CarbonylContact O-C 3.55Å; L231-G234 PolarHBondContact O-N 3.46Å; L231-F235 WeakPolarHBondContact O-CB 3.45Å; L231-F235 WeakPolarHBondContact O-CD2 3.46Å; L231-F235 PolarHBondContact O-N 3Å; L231-F255 HydrophobicContact CD2-CE1 3.97Å; L231-F255 HydrophobicContact CD2-CZ 3.65Å |
| 232 | T | 55.7 | Low | 50.5 | Low | 88 Ų | 88 | 89.6 Ų | 89.6 | 54% | 0.54 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.9 | -37 | -179.7 | 48.3 | 0 | 0 | 0 | 0 | 113.4 | S228 N229 F235 T236 | S228-T232 PolarHBondContact O-N 2.98Å; S228-T232 PolarHBondContact O-OG1 3.23Å; N229-T232 WeakPolarHBondContact CA-OG1 3.43Å; N229-T232 PolarHBondContact O-N 3.26Å; N229-T232 VanDerWaalsContact O-N 3.07Å; N229-T232 PolarHBondContact O-OG1 3.11Å; T232-F235 PolarHBondContact O-N 3.41Å; T232-T236 PolarHBondContact O-N 3.37Å; T232-T236 PolarHBondContact O-OG1 3.46Å |
| 233 | E | 52.3 | Low | 48.7 | Very low | 101 Ų | 101 | 94.8 Ų | 94.8 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.3 | -55.1 | 171.4 | -70.9 | 159.1 | -174.4 | 0 | 0 | 109.7 | N229 F235 T236 D237 | N229-E233 WeakPolarHBondContact O-CB 3.41Å; N229-E233 VanDerWaalsContact O-CG 3.31Å; N229-E233 WeakPolarHBondContact O-CG 3.49Å; N229-E233 PolarHBondContact O-N 2.97Å; E233-F235 PolarHBondContact O-N 2.77Å; E233-T236 WeakPolarHBondContact CA-OG1 3.22Å; E233-T236 PolarHBondContact O-N 2.89Å; E233-T236 PolarHBondContact O-OG1 3.25Å; E233-D237 PolarHBondContact O-N 2.93Å; E233-D237 VanDerWaalsContact O-N 3.1Å |
| 234 | G | 41.3 | Very low | 47.2 | Very low | 31 Ų | 31 | 97.3 Ų | 97.3 | 32% | 0.32 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.6 | 2.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | K230 L231 | K230-G234 PolarHBondContact O-N 3.35Å; L231-G234 CarbonylContact O-C 3.55Å; L231-G234 PolarHBondContact O-N 3.46Å |
| 235 | F | 40.5 | Very low | 45.8 | Very low | 84 Ų | 84 | 104.3 Ų | 104.3 | 37% | 0.368 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -111.6 | -13.7 | 169.6 | -99.3 | -82.5 | 0 | 0 | 0 | 112.9 | L231 T232 E233 R251 F255 | L231-F235 WeakPolarHBondContact O-CB 3.45Å; L231-F235 WeakPolarHBondContact O-CD2 3.46Å; L231-F235 PolarHBondContact O-N 3Å; T232-F235 PolarHBondContact O-N 3.41Å; E233-F235 PolarHBondContact O-N 2.77Å; F235-R251 HydrophobicContact CE1-CG 4.43Å; F235-R251 HydrophobicContact CZ-CG 4.07Å; F235-F255 HydrophobicContact CE2-CE2 4.2Å |
| 236 | T | 47.4 | Very low | 44.3 | Very low | 100 Ų | 100 | 109 Ų | 109 | 61% | 0.613 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -95.6 | -33.2 | 176.8 | 39.1 | 0 | 0 | 0 | 0 | 111.8 | T232 E233 V238 | T232-T236 PolarHBondContact O-N 3.37Å; T232-T236 PolarHBondContact O-OG1 3.46Å; E233-T236 WeakPolarHBondContact CA-OG1 3.22Å; E233-T236 PolarHBondContact O-N 2.89Å; E233-T236 PolarHBondContact O-OG1 3.25Å; T236-V238 PolarHBondContact O-N 3.31Å |
| 237 | D | 41 | Very low | 42.9 | Very low | 140 Ų | 140 | 110.1 Ų | 110.1 | 75% | 0.749 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 14.4 | 173.7 | -62.7 | -23.6 | 0 | 0 | 0 | 114.3 | E233 | E233-D237 PolarHBondContact O-N 2.93Å; E233-D237 VanDerWaalsContact O-N 3.1Å |
| 238 | V | 41.6 | Very low | 42.3 | Very low | 76 Ų | 76 | 115 Ų | 115 | 46% | 0.461 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -137 | 31.8 | -171.3 | -158.7 | 0 | 0 | 0 | 0 | 111.4 | T236 | T236-V238 PolarHBondContact O-N 3.31Š|
| 239 | H | 33.9 | Very low | 41 | Very low | 155 Ų | 155 | 115.1 Ų | 115.1 | 72% | 0.718 | 61% | 0.614 | S | S | * | * | trans | -138.7 | 42.7 | -178.5 | -99.5 | -68.5 | 0 | 0 | 0 | 113.6 | ||||
| 240 | E | 33.9 | Very low | 39.9 | Very low | 199 Ų | 199 | 115.8 Ų | 115.8 | 93% | 0.93 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -145.3 | 115.9 | 163 | -119.4 | 175.2 | -164.9 | 0 | 0 | 108.9 | ||
| 241 | G | 31 | Very low | 38.9 | Very low | 72 Ų | 72 | 114 Ų | 114 | 74% | 0.742 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 107.6 | 138.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 242 | D | 33.6 | Very low | 38.6 | Very low | 163 Ų | 163 | 119.5 Ų | 119.5 | 87% | 0.872 | 63% | 0.629 | S | S | * | * | trans | 59.2 | 108.9 | 158.7 | -54.3 | -17.3 | 0 | 0 | 0 | 119.9 | D244 | D242-D244 PolarHBondContact O-N 3.39Š| ||
| 243 | D | 30.1 | Very low | 37.7 | Very low | 167 Ų | 167 | 119.1 Ų | 119.1 | 89% | 0.893 | 62% | 0.621 | S | S | * | * | trans | -63.1 | 121.4 | 163.3 | -52.1 | -84.9 | 0 | 0 | 0 | 111.4 | ||||
| 244 | D | 36.2 | Very low | 36.9 | Very low | 144 Ų | 144 | 120.2 Ų | 120.2 | 77% | 0.77 | 63% | 0.625 | S | S | * | * | trans | -163.6 | 153.4 | 152.6 | -126.5 | -27.7 | 0 | 0 | 0 | 114.1 | D242 H246 | D242-D244 PolarHBondContact O-N 3.39Å; D244-H246 PolarHBondContact O-N 3.33Å | ||
| 245 | E | 35.2 | Very low | 36.7 | Very low | 194 Ų | 194 | 123.1 Ų | 123.1 | 91% | 0.907 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 0.4 | -169.5 | -149.5 | 179.2 | 170.1 | 0 | 0 | 114.4 | H247 | E245-H247 PolarHBondContact O-N 2.85Š|
| 246 | H | 35.7 | Very low | 36.8 | Very low | 148 Ų | 148 | 126.7 Ų | 126.7 | 69% | 0.685 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -8.5 | -162.2 | -136.1 | -60.1 | 0 | 0 | 0 | 115.4 | D244 N248 | D244-H246 PolarHBondContact O-N 3.33Å; H246-N248 PolarHBondContact O-N 3.12Å |
| 247 | H | 37.3 | Very low | 36.3 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 44% | 0.44 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -76.6 | -8.2 | -161.1 | -118.9 | -85.2 | 0 | 0 | 0 | 117.1 | E245 | E245-H247 PolarHBondContact O-N 2.85Å |
| 248 | N | 37.7 | Very low | 36.1 | Very low | 124 Ų | 124 | 124.1 Ų | 124.1 | 66% | 0.663 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -83.6 | -21.1 | -176.5 | -113.2 | -34.1 | 0 | 0 | 0 | 114.3 | H246 | H246-N248 PolarHBondContact O-N 3.12Å |
| 249 | S | 36.8 | Very low | 35.9 | Very low | 67 Ų | 67 | 124 Ų | 124 | 47% | 0.469 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -73.9 | -47 | 176.7 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | R251 K252 Q253 | S249-R251 VanDerWaalsContact C-N 3.29Å; S249-R251 PolarHBondContact O-N 3.28Å; S249-K252 PolarHBondContact O-N 2.7Å; S249-Q253 PolarHBondContact O-N 3.2Å; S249-Q253 VanDerWaalsContact O-N 3.16Å |
| 250 | N | 33.4 | Very low | 36.3 | Very low | 93 Ų | 93 | 121.3 Ų | 121.3 | 50% | 0.497 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.8 | -36 | 179.6 | -69.4 | -18.1 | 0 | 0 | 0 | 112 | K252 Q253 F254 | N250-K252 VanDerWaalsContact C-N 3.29Å; N250-K252 PolarHBondContact O-N 3.47Å; N250-Q253 PolarHBondContact O-N 3.49Å; N250-F254 PolarHBondContact O-N 3.17Å |
| 251 | R | 36.5 | Very low | 36.4 | Very low | 111 Ų | 111 | 112.5 Ų | 112.5 | 42% | 0.419 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.3 | -36 | 177.5 | -138.9 | 175.9 | -72 | -141.8 | -3.2 | 112.2 | F235 S249 F255 | F235-R251 HydrophobicContact CE1-CG 4.43Å; F235-R251 HydrophobicContact CZ-CG 4.07Å; S249-R251 VanDerWaalsContact C-N 3.29Å; S249-R251 PolarHBondContact O-N 3.28Å; R251-F255 WeakPolarHBondContact O-CD2 3.41Å |
| 252 | K | 39.6 | Very low | 36.7 | Very low | 157 Ų | 157 | 111.9 Ų | 111.9 | 68% | 0.683 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -73.5 | -47.3 | 172.4 | -73.3 | 179.6 | 178.2 | 174.6 | 0 | 112.3 | S249 N250 F254 F255 E256 | S249-K252 PolarHBondContact O-N 2.7Å; N250-K252 VanDerWaalsContact C-N 3.29Å; N250-K252 PolarHBondContact O-N 3.47Å; K252-F254 PolarHBondContact O-N 2.96Å; K252-F255 PolarHBondContact O-N 2.76Å; K252-E256 PolarHBondContact O-N 2.8Å |
| 253 | Q | 37.1 | Very low | 37.1 | Very low | 80 Ų | 80 | 108.5 Ų | 108.5 | 37% | 0.374 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.7 | -31.9 | 179.1 | -74 | -161.5 | 12.9 | 0 | 0 | 113.4 | S249 N250 E256 K257 | S249-Q253 PolarHBondContact O-N 3.2Å; S249-Q253 VanDerWaalsContact O-N 3.16Å; N250-Q253 PolarHBondContact O-N 3.49Å; Q253-E256 PolarHBondContact O-N 2.92Å; Q253-K257 VanDerWaalsContact O-CB 3.28Å; Q253-K257 WeakPolarHBondContact O-CB 3.21Å; Q253-K257 WeakPolarHBondContact O-CD 3.28Å; Q253-K257 WeakPolarHBondContact O-CG 3.42Å; Q253-K257 PolarHBondContact O-N 3.35Å |
| 254 | F | 35 | Very low | 37.4 | Very low | 124 Ų | 124 | 101.9 Ų | 101.9 | 54% | 0.544 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 177.6 | -157.4 | -94.8 | 0 | 0 | 0 | 111.8 | N250 K252 K257 C258 | N250-F254 PolarHBondContact O-N 3.17Å; K252-F254 PolarHBondContact O-N 2.96Å; F254-K257 PolarHBondContact O-N 3.48Å; F254-C258 PolarHBondContact O-N 3.42Å; F254-C258 VanDerWaalsContact O-N 3.08Å |
| 255 | F | 37.9 | Very low | 37.6 | Very low | 93 Ų | 93 | 99.4 Ų | 99.4 | 41% | 0.408 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 173.4 | -91.4 | -93.6 | 0 | 0 | 0 | 112.9 | L231 F235 R251 K252 | L231-F255 HydrophobicContact CD2-CE1 3.97Å; L231-F255 HydrophobicContact CD2-CZ 3.65Å; F235-F255 HydrophobicContact CE2-CE2 4.2Å; R251-F255 WeakPolarHBondContact O-CD2 3.41Å; K252-F255 PolarHBondContact O-N 2.76Å |
| 256 | E | 41 | Very low | 37.9 | Very low | 158 Ų | 158 | 95.5 Ų | 95.5 | 74% | 0.738 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69.6 | -36.6 | 175 | -70.6 | -176.7 | 136.3 | 0 | 0 | 113 | K252 Q253 C258 | K252-E256 PolarHBondContact O-N 2.8Å; Q253-E256 PolarHBondContact O-N 2.92Å; E256-C258 VanDerWaalsContact C-N 3.34Å |
| 257 | K | 38.7 | Very low | 38.3 | Very low | 153 Ų | 153 | 93.4 Ų | 93.4 | 67% | 0.665 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -76.1 | -20.3 | 178.3 | -72.1 | 164.8 | 179 | 168.4 | 0 | 112.8 | Q253 F254 S259 | Q253-K257 VanDerWaalsContact O-CB 3.28Å; Q253-K257 WeakPolarHBondContact O-CB 3.21Å; Q253-K257 WeakPolarHBondContact O-CD 3.28Å; Q253-K257 WeakPolarHBondContact O-CG 3.42Å; Q253-K257 PolarHBondContact O-N 3.35Å; F254-K257 PolarHBondContact O-N 3.48Å; K257-S259 VanDerWaalsContact C-N 3.31Å; K257-S259 PolarHBondContact O-N 2.86Å |
| 258 | C | 34.9 | Very low | 38.4 | Very low | 33 Ų | 33 | 93.2 Ų | 93.2 | 22% | 0.223 | 48% | 0.475 | C | S | . | . | trans | -78.1 | 78.1 | 174.9 | -165.6 | 0 | 0 | 0 | 0 | 112.1 | F254 E256 I260 C261 S262 | F254-C258 PolarHBondContact O-N 3.42Å; F254-C258 VanDerWaalsContact O-N 3.08Å; E256-C258 VanDerWaalsContact C-N 3.34Å; C258-I260 PolarHBondContact O-N 2.93Å; C258-I260 VanDerWaalsContact O-N 3.09Å; C258-C261 HydrophobicContact CB-CB 4.02Å; C258-C261 PolarHBondContact O-N 3.48Å; C258-C261 PolarHBondContact SG-SG 3.33Å; C258-S262 PolarHBondContact O-N 3.37Å; C258-S262 VanDerWaalsContact O-N 3.14Å | ||
| 259 | S | 39.2 | Very low | 38.3 | Very low | 75 Ų | 75 | 96 Ų | 96 | 52% | 0.524 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -44.3 | -42.1 | 173.1 | 175.9 | 0 | 0 | 0 | 0 | 112.8 | K257 S262 I263 | K257-S259 VanDerWaalsContact C-N 3.31Å; K257-S259 PolarHBondContact O-N 2.86Å; S259-S262 PolarHBondContact O-N 3.4Å; S259-I263 WeakPolarHBondContact O-CB 3.49Å; S259-I263 VanDerWaalsContact O-CG1 3.31Å; S259-I263 WeakPolarHBondContact O-CG1 3.35Å; S259-I263 PolarHBondContact O-N 3.04Å |
| 260 | I | 41.7 | Very low | 38 | Very low | 97 Ų | 97 | 97.8 Ų | 97.8 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | -178.7 | -47.7 | 176.9 | 0 | 0 | 0 | 111.3 | C227 C258 I263 C264 | C227-I260 WeakPolarHBondContact SG-CG2 3.45Å; C258-I260 PolarHBondContact O-N 2.93Å; C258-I260 VanDerWaalsContact O-N 3.09Å; I260-I263 PolarHBondContact O-N 3.28Å; I260-C264 WeakPolarHBondContact O-CB 3.33Å; I260-C264 PolarHBondContact O-N 3.34Å; I260-C264 PolarHBondContact O-SG 3.29Å |
| 261 | C | 36.1 | Very low | 37.9 | Very low | 14 Ų | 14 | 98.3 Ų | 98.3 | 10% | 0.095 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 175.7 | -76.8 | 0 | 0 | 0 | 0 | 112.3 | C258 I263 C264 I265 | C258-C261 HydrophobicContact CB-CB 4.02Å; C258-C261 PolarHBondContact O-N 3.48Å; C258-C261 PolarHBondContact SG-SG 3.33Å; C261-I263 VanDerWaalsContact C-N 3.34Å; C261-I263 PolarHBondContact O-N 3.12Å; C261-C264 PolarHBondContact O-N 3.43Å; C261-I265 WeakPolarHBondContact O-CB 3Å; C261-I265 VanDerWaalsContact O-CG1 3.29Å; C261-I265 WeakPolarHBondContact O-CG1 3Å; C261-I265 PolarHBondContact O-N 2.98Å |
| 262 | S | 36.8 | Very low | 37.5 | Very low | 59 Ų | 59 | 96.7 Ų | 96.7 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 174.5 | -174.2 | 0 | 0 | 0 | 0 | 111.7 | C258 S259 N266 | C258-S262 PolarHBondContact O-N 3.37Å; C258-S262 VanDerWaalsContact O-N 3.14Å; S259-S262 PolarHBondContact O-N 3.4Å; S262-N266 WeakPolarHBondContact O-CB 3.38Å; S262-N266 PolarHBondContact O-N 3.44Å; S262-N266 PolarHBondContact O-ND2 2.97Å |
| 263 | I | 43.1 | Very low | 36.9 | Very low | 93 Ų | 93 | 95.7 Ų | 95.7 | 48% | 0.477 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 173.6 | -70.6 | 166.7 | 0 | 0 | 0 | 111.1 | S259 I260 C261 N267 | S259-I263 WeakPolarHBondContact O-CB 3.49Å; S259-I263 VanDerWaalsContact O-CG1 3.31Å; S259-I263 WeakPolarHBondContact O-CG1 3.35Å; S259-I263 PolarHBondContact O-N 3.04Å; I260-I263 PolarHBondContact O-N 3.28Å; C261-I263 VanDerWaalsContact C-N 3.34Å; C261-I263 PolarHBondContact O-N 3.12Å; I263-N267 WeakPolarHBondContact O-CB 3.4Å; I263-N267 PolarHBondContact O-N 3.18Å; I263-N267 VanDerWaalsContact O-N 3.12Å; I263-N267 PolarHBondContact O-ND2 3.47Å |
| 264 | C | 35.9 | Very low | 36.6 | Very low | 28 Ų | 28 | 98.5 Ų | 98.5 | 19% | 0.189 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -61.7 | -52.3 | 176.7 | -76.2 | 0 | 0 | 0 | 0 | 111.6 | I260 C261 N266 N267 L268 | I260-C264 WeakPolarHBondContact O-CB 3.33Å; I260-C264 PolarHBondContact O-N 3.34Å; I260-C264 PolarHBondContact O-SG 3.29Å; C261-C264 PolarHBondContact O-N 3.43Å; C264-N266 PolarHBondContact O-N 3.27Å; C264-N267 PolarHBondContact O-N 2.97Å; C264-L268 WeakPolarHBondContact O-CB 3.23Å; C264-L268 PolarHBondContact O-N 3.4Å |
| 265 | I | 40.6 | Very low | 36.2 | Very low | 91 Ų | 91 | 99.9 Ų | 99.9 | 47% | 0.467 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -57.9 | -50.2 | -179.5 | -67.9 | 164.5 | 0 | 0 | 0 | 110.4 | C261 N267 F269 | C261-I265 WeakPolarHBondContact O-CB 3Å; C261-I265 VanDerWaalsContact O-CG1 3.29Å; C261-I265 WeakPolarHBondContact O-CG1 3Å; C261-I265 PolarHBondContact O-N 2.98Å; I265-N267 VanDerWaalsContact C-N 3.28Å; I265-N267 PolarHBondContact O-N 3.15Å; I265-F269 WeakPolarHBondContact O-CD2 3.31Å |
| 266 | N | 42.2 | Very low | 35.8 | Very low | 112 Ų | 112 | 101.2 Ų | 101.2 | 60% | 0.599 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -70.3 | -17.1 | -177.3 | -73.5 | -72.4 | 0 | 0 | 0 | 114.7 | S262 C264 | S262-N266 WeakPolarHBondContact O-CB 3.38Å; S262-N266 PolarHBondContact O-N 3.44Å; S262-N266 PolarHBondContact O-ND2 2.97Å; C264-N266 PolarHBondContact O-N 3.27Å |
| 267 | N | 44 | Very low | 35.2 | Very low | 104 Ų | 104 | 101.3 Ų | 101.3 | 56% | 0.556 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -101.9 | -28.7 | 176.1 | -73.8 | -89.1 | 0 | 0 | 0 | 113.6 | I263 C264 I265 F269 C270 | I263-N267 WeakPolarHBondContact O-CB 3.4Å; I263-N267 PolarHBondContact O-N 3.18Å; I263-N267 VanDerWaalsContact O-N 3.12Å; I263-N267 PolarHBondContact O-ND2 3.47Å; C264-N267 PolarHBondContact O-N 2.97Å; I265-N267 VanDerWaalsContact C-N 3.28Å; I265-N267 PolarHBondContact O-N 3.15Å; N267-F269 VanDerWaalsContact C-N 3.33Å; N267-F269 PolarHBondContact O-N 2.95Å; N267-C270 PolarHBondContact O-N 2.92Å |
| 268 | L | 39.6 | Very low | 35 | Very low | 91 Ų | 91 | 100 Ų | 100 | 48% | 0.476 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.3 | -35.5 | -178.4 | -166.2 | 68 | 0 | 0 | 0 | 111.6 | C264 C270 S271 | C264-L268 WeakPolarHBondContact O-CB 3.23Å; C264-L268 PolarHBondContact O-N 3.4Å; L268-C270 PolarHBondContact O-N 3Å; L268-S271 PolarHBondContact O-N 2.92Å |
| 269 | F | 34 | Very low | 34.6 | Very low | 184 Ų | 184 | 108.2 Ų | 108.2 | 81% | 0.807 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -5.4 | 177.2 | -88.1 | -84 | 0 | 0 | 0 | 115.3 | I265 N267 | I265-F269 WeakPolarHBondContact O-CD2 3.31Å; N267-F269 VanDerWaalsContact C-N 3.33Å; N267-F269 PolarHBondContact O-N 2.95Å |
| 270 | C | 30.6 | Very low | 34.3 | Very low | 104 Ų | 104 | 107.8 Ų | 107.8 | 70% | 0.703 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | 9.9 | 178.2 | -75.3 | 0 | 0 | 0 | 0 | 114.9 | N267 L268 | N267-C270 PolarHBondContact O-N 2.92Å; L268-C270 PolarHBondContact O-N 3Å |
| 271 | S | 31.4 | Very low | 33.7 | Very low | 103 Ų | 103 | 108.8 Ų | 108.8 | 72% | 0.72 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -154.2 | 47.2 | -174.2 | -77.1 | 0 | 0 | 0 | 0 | 116.3 | L268 | L268-S271 PolarHBondContact O-N 2.92Š|
| 272 | C | 27.6 | Very low | 33.4 | Very low | 78 Ų | 78 | 114.2 Ų | 114.2 | 53% | 0.527 | 65% | 0.645 | S | S | . | * | trans | -141.3 | 110.9 | 175.5 | -99.9 | 0 | 0 | 0 | 0 | 114.5 | L274 | C272-L274 HydrophobicContact CB-CB 4.4Å; C272-L274 PolarHBondContact O-N 3.27Å | ||
| 273 | P | 28.2 | Very low | 33.1 | Very low | 136 Ų | 136 | 116.7 Ų | 116.7 | 88% | 0.883 | 66% | 0.663 | S | S | * | * | trans | -86.8 | 60.3 | 161.2 | 36.2 | -32.8 | 0 | 0 | 0 | 110.3 | ||||
| 274 | L | 30 | Very low | 32.6 | Very low | 138 Ų | 138 | 117.5 Ų | 117.5 | 72% | 0.723 | 67% | 0.674 | S | S | * | * | trans | -103.7 | 70.7 | -177.6 | -113 | 168 | 0 | 0 | 0 | 110.7 | C272 V276 | C272-L274 HydrophobicContact CB-CB 4.4Å; C272-L274 PolarHBondContact O-N 3.27Å; L274-V276 PolarHBondContact O-N 2.89Å | ||
| 275 | R | 27.4 | Very low | 32.3 | Very low | 153 Ų | 153 | 122.2 Ų | 122.2 | 58% | 0.577 | 70% | 0.702 | S | S | * | * | trans | -90.2 | 84.3 | -177.9 | -157.7 | 177 | -161 | -168.6 | 7.8 | 110.8 | F277 | R275-F277 HydrophobicContact CG-CD2 4.24Å; R275-F277 HydrophobicContact CG-CE2 4.11Å; R275-F277 PolarHBondContact O-N 2.96Å | ||
| 276 | V | 30 | Very low | 31.9 | Very low | 122 Ų | 122 | 122.4 Ų | 122.4 | 74% | 0.739 | 71% | 0.712 | S | S | * | * | trans | -70 | 110.7 | 169.7 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | L274 | L274-V276 PolarHBondContact O-N 2.89Š| ||
| 277 | F | 28.4 | Very low | 31.4 | Very low | 159 Ų | 159 | 124.8 Ų | 124.8 | 70% | 0.697 | 72% | 0.724 | S | S | * | * | trans | -91.3 | 110.8 | 175.6 | -96.2 | -74.2 | 0 | 0 | 0 | 110.6 | R275 | R275-F277 HydrophobicContact CG-CD2 4.24Å; R275-F277 HydrophobicContact CG-CE2 4.11Å; R275-F277 PolarHBondContact O-N 2.96Å | ||
| 278 | T | 33.6 | Very low | 30.8 | Very low | 126 Ų | 126 | 129 Ų | 129 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | -88.9 | 140 | 154 | 46.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 279 | K | 27.3 | Very low | 30.2 | Very low | 206 Ų | 206 | 134.5 Ų | 134.5 | 90% | 0.896 | 76% | 0.756 | S | S | * | * | trans | -85.2 | 139.5 | 178.4 | -70.8 | -178.4 | 173.8 | -176.8 | 0 | 109.7 | ||||
| 280 | G | 31.6 | Very low | 30.1 | Very low | 65 Ų | 65 | 133.5 Ų | 133.5 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | trans | -174.7 | 38.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 281 | S | 29.2 | Very low | 29.9 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | 65.8 | -175.2 | 159.4 | 71.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 282 | P | 30.6 | Very low | 29.7 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | -122.1 | -173.6 | -95.8 | 36.9 | -18.8 | 0 | 0 | 0 | 115.8 | |||||
| 283 | S | 29.7 | Very low | 29.6 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -143 | 144 | -165.1 | 65.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 284 | P | 33.5 | Very low | 29.7 | Very low | 110 Ų | 110 | 139 Ų | 139 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | trans | -116 | 143.2 | 148.5 | 7.6 | 15.4 | 0 | 0 | 0 | 111.2 | ||||
| 285 | T | 29.3 | Very low | 29.6 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | 56.2 | 132.7 | 71.3 | 61.5 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 286 | S | 32.2 | Very low | 29.9 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | cis | -172.3 | 154.7 | 0.8 | 45.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 287 | N | 30.2 | Very low | 29.8 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | 57.5 | 146.9 | 162.8 | -56.5 | -4.5 | 0 | 0 | 0 | 116.3 | ||||
| 288 | E | 33.2 | Very low | 29.9 | Very low | 192 Ų | 192 | 133.4 Ų | 133.4 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | cis | -152.6 | -177.5 | 48.7 | -171.4 | 160.2 | -137.6 | 0 | 0 | 111.9 | ||||
| 289 | Y | 26.2 | Very low | 29.8 | Very low | 207 Ų | 207 | 136.8 Ų | 136.8 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -143.9 | 134 | -171 | -135.6 | -74 | 0 | 0 | 0 | 110.5 | ||||
| 290 | L | 31.2 | Very low | 29.7 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -163.1 | 151.6 | 159.4 | -113 | 164.2 | 0 | 0 | 0 | 112.7 | ||||
| 291 | D | 27.8 | Very low | 29.5 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 60% | 0.599 | 80% | 0.796 | S | S | * | * | trans | -82.5 | 162.2 | -174.6 | -56.2 | -84.3 | 0 | 0 | 0 | 112.7 | ||||
| 292 | M | 26.4 | Very low | 29.4 | Very low | 186 Ų | 186 | 137.8 Ų | 137.8 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | -173.6 | 177.6 | 89.2 | -98 | -168.1 | -76.2 | 0 | 0 | 115 | |||||
| 293 | T | 26.5 | Very low | 29.2 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -101.9 | 142.8 | -164.1 | 52.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 294 | S | 28.7 | Very low | 29.1 | Very low | 111 Ų | 111 | 137 Ų | 137 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -179.4 | 113.5 | 143.7 | 29.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 295 | S | 28.7 | Very low | 28.7 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | 69.4 | 101.1 | 72.2 | 74.7 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 296 | N | 33.2 | Very low | 28.5 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | -159.6 | 161.2 | 123.4 | -119.2 | -46 | 0 | 0 | 0 | 116.9 | |||||
| 297 | S | 28.4 | Very low | 28.2 | Very low | 112 Ų | 112 | 146.4 Ų | 146.4 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | -76.2 | 164.7 | -166.8 | 54.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 298 | G | 30 | Very low | 28 | Very low | 75 Ų | 75 | 143.6 Ų | 143.6 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -178.6 | 64 | 175.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 299 | K | 31.1 | Very low | 27.7 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | 57.7 | 100.7 | 150.9 | -61.6 | -178.2 | 178.8 | 178.4 | 0 | 122.4 | ||||
| 300 | E | 25.8 | Very low | 27.9 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | 22.5 | 131.7 | 123.9 | -48.6 | 176.1 | 128.3 | 0 | 0 | 122.5 | |||||
| 301 | T | 28.2 | Very low | 27.8 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | 167.9 | 126.9 | 103.7 | 37.7 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 302 | S | 27.2 | Very low | 27.7 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | trans | 25.3 | 118 | 151.3 | 62.5 | 0 | 0 | 0 | 0 | 125 | ||||
| 303 | S | 25.2 | Very low | 27.6 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | 60.8 | 155.3 | 122.9 | -135.4 | 0 | 0 | 0 | 0 | 122 | |||||
| 304 | P | 28.8 | Very low | 27.5 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | cis | -125.5 | 167.8 | -1.2 | 42.1 | -28.2 | 0 | 0 | 0 | 116 | F306 | P304-F306 PolarHBondContact O-N 3.3Š| ||
| 305 | Y | 23.7 | Very low | 27.5 | Very low | 228 Ų | 228 | 132.4 Ų | 132.4 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | trans | 14.2 | 91.1 | 157.1 | -74.2 | -89.3 | 0 | 0 | 0 | 119.1 | ||||
| 306 | F | 26 | Very low | 27.5 | Very low | 190 Ų | 190 | 136.4 Ų | 136.4 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | trans | -143.3 | 103.5 | 146.9 | -121 | -88.9 | 0 | 0 | 0 | 108.4 | P304 V308 | P304-F306 PolarHBondContact O-N 3.3Å; F306-V308 HydrophobicContact CB-CG2 4.43Å; F306-V308 HydrophobicContact CD1-CG2 4Å; F306-V308 PolarHBondContact O-N 3.31Å | ||
| 307 | S | 25.1 | Very low | 27.1 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -78.5 | 73 | 176.2 | 56.4 | 0 | 0 | 0 | 0 | 110 | D309 | S307-D309 VanDerWaalsContact C-N 3.26Å; S307-D309 PolarHBondContact O-N 2.98Å; S307-D309 VanDerWaalsContact O-N 3.09Å | ||
| 308 | V | 26.9 | Very low | 26.9 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 62% | 0.618 | 79% | 0.787 | S | S | * | * | trans | -76.2 | 85.3 | 165.5 | -174.9 | 0 | 0 | 0 | 0 | 106.9 | F306 T310 | F306-V308 HydrophobicContact CB-CG2 4.43Å; F306-V308 HydrophobicContact CD1-CG2 4Å; F306-V308 PolarHBondContact O-N 3.31Å; V308-T310 HydrophobicContact CG1-CG2 4.16Å; V308-T310 PolarHBondContact O-N 3.47Å | ||
| 309 | D | 27.4 | Very low | 26.7 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -68.4 | 80.6 | 169.2 | -77.5 | -13.5 | 0 | 0 | 0 | 108.7 | S307 V311 | S307-D309 VanDerWaalsContact C-N 3.26Å; S307-D309 PolarHBondContact O-N 2.98Å; S307-D309 VanDerWaalsContact O-N 3.09Å; D309-V311 PolarHBondContact O-N 2.91Å | ||
| 310 | T | 29.2 | Very low | 26.3 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | -52.1 | 127.5 | 167.8 | 44.8 | 0 | 0 | 0 | 0 | 108.8 | V308 G312 | V308-T310 HydrophobicContact CG1-CG2 4.16Å; V308-T310 PolarHBondContact O-N 3.47Å; T310-G312 PolarHBondContact O-N 2.94Å | ||
| 311 | V | 29.6 | Very low | 26.4 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -59.3 | 106.6 | -172.2 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | D309 C313 | D309-V311 PolarHBondContact O-N 2.91Å; V311-C313 PolarHBondContact O-N 3.38Å | ||
| 312 | G | 25 | Very low | 26.1 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -68.9 | 90.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | T310 S314 | T310-G312 PolarHBondContact O-N 2.94Å; G312-S314 PolarHBondContact O-N 3.47Å | ||
| 313 | C | 24.2 | Very low | 26.2 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | trans | -71.3 | 72.5 | 162.4 | -79.5 | 0 | 0 | 0 | 0 | 109.9 | V311 | V311-C313 PolarHBondContact O-N 3.38Š| ||
| 314 | S | 25.9 | Very low | 26.4 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -145 | 91.5 | 174.6 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | G312 | G312-S314 PolarHBondContact O-N 3.47Š| ||
| 315 | E | 28.5 | Very low | 26.3 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -178 | 138.1 | 138.6 | -104.5 | 172.6 | -146.8 | 0 | 0 | 110.1 | ||
| 316 | K | 27.6 | Very low | 26.7 | Very low | 189 Ų | 189 | 137.2 Ų | 137.2 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | 67.9 | 51.4 | 171.2 | -51.1 | -169.3 | -177.6 | -165.8 | 0 | 118.1 | ||||
| 317 | C | 25.3 | Very low | 26.7 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 93% | 0.926 | 78% | 0.776 | S | S | * | * | trans | -115.6 | 78.9 | 148.1 | -89.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 318 | S | 23.5 | Very low | 26.9 | Very low | 112 Ų | 112 | 139 Ų | 139 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | -92.2 | 107.3 | 170.9 | -57.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 319 | I | 26.2 | Very low | 27 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | trans | -172.1 | 143.3 | 155.8 | -99.9 | 149.2 | 0 | 0 | 0 | 107.6 | ||||
| 320 | A | 23.4 | Very low | 26.9 | Very low | 84 Ų | 84 | 139.4 Ų | 139.4 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | trans | -83.1 | 148.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 321 | T | 26.8 | Very low | 26.8 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -146.4 | 142.9 | 140.5 | 1.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 322 | Y | 23.6 | Very low | 26.5 | Very low | 213 Ų | 213 | 143.6 Ų | 143.6 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -76.1 | 145.4 | 175.8 | -88.3 | -124.6 | 0 | 0 | 0 | 110.9 | ||||
| 323 | S | 27.4 | Very low | 26.5 | Very low | 113 Ų | 113 | 149 Ų | 149 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -140.2 | 112.2 | 156.4 | 59.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 324 | H | 29.9 | Very low | 26.5 | Very low | 174 Ų | 174 | 148 Ų | 148 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -74.6 | 138.5 | -172.4 | -136.5 | -89.3 | 0 | 0 | 0 | 111.5 | ||||
| 325 | H | 28.1 | Very low | 26.6 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | trans | -62.1 | 154 | 159.3 | -93.9 | -123.6 | 0 | 0 | 0 | 109.2 | ||||
| 326 | M | 30.3 | Very low | 26.5 | Very low | 166 Ų | 166 | 146.4 Ų | 146.4 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | -146.9 | 150.2 | 54.1 | -74.6 | -73.1 | -175.7 | 0 | 0 | 115.1 | |||||
| 327 | N | 26.8 | Very low | 26.5 | Very low | 152 Ų | 152 | 145.3 Ų | 145.3 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -83.5 | 138.2 | 149.4 | -82.4 | -34.6 | 0 | 0 | 0 | 109.3 | ||||
| 328 | Q | 29 | Very low | 26.3 | Very low | 189 Ų | 189 | 144.9 Ų | 144.9 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -133.7 | 136.2 | 144.6 | -79.5 | -163.5 | -11.3 | 0 | 0 | 109.5 | ||||
| 329 | P | 28.5 | Very low | 26.4 | Very low | 108 Ų | 108 | 144 Ų | 144 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -93.3 | 159.9 | -177.5 | 37.1 | -35.2 | 0 | 0 | 0 | 112.8 | ||||
| 330 | N | 26.2 | Very low | 26.5 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | trans | 56.4 | 97 | 157.5 | -56.8 | -19.3 | 0 | 0 | 0 | 118 | ||||
| 331 | I | 26.7 | Very low | 26.6 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 89% | 0.892 | 79% | 0.789 | S | S | * | * | trans | -145.6 | 147.5 | 133 | -100 | 143.8 | 0 | 0 | 0 | 108.1 | ||||
| 332 | I | 23.6 | Very low | 26.7 | Very low | 159 Ų | 159 | 147.6 Ų | 147.6 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | trans | -96.6 | 124.1 | -175.4 | -62.3 | 160.5 | 0 | 0 | 0 | 108.8 | ||||
| 333 | M | 25.1 | Very low | 26.8 | Very low | 184 Ų | 184 | 142.9 Ų | 142.9 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | trans | -170 | 173.3 | 145.1 | -105.7 | 154.8 | 72.7 | 0 | 0 | 112.9 | ||||
| 334 | S | 24.1 | Very low | 26.7 | Very low | 102 Ų | 102 | 144.7 Ų | 144.7 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -91.9 | 166.4 | -162.2 | 41.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 335 | P | 28.2 | Very low | 26.5 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -93.8 | 120.2 | -170.8 | 34.7 | -32.7 | 0 | 0 | 0 | 115.2 | ||||
| 336 | T | 25.8 | Very low | 26.5 | Very low | 118 Ų | 118 | 145 Ų | 145 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | trans | -156.8 | 151.6 | 164.6 | 42.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 337 | E | 28.2 | Very low | 26.2 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | cis | -124.8 | 170.5 | -8.1 | -81.7 | 101 | 169.8 | 0 | 0 | 110.7 | ||||
| 338 | C | 21.7 | Very low | 26.2 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | trans | -96.1 | 140.5 | 151.2 | -66.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 339 | S | 24.7 | Very low | 26.1 | Very low | 95 Ų | 95 | 142.6 Ų | 142.6 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | trans | 169.4 | 168.4 | 141.7 | 47.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 340 | N | 27.6 | Very low | 25.9 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 78.6 | 108.4 | 159.6 | -54.9 | -24.1 | 0 | 0 | 0 | 115.8 | ||||
| 341 | I | 26.5 | Very low | 25.9 | Very low | 134 Ų | 134 | 144.7 Ų | 144.7 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | 88.7 | 139.4 | 72.4 | -78.5 | 167.8 | 0 | 0 | 0 | 109.7 | |||||
| 342 | E | 28.8 | Very low | 25.9 | Very low | 167 Ų | 167 | 143.9 Ų | 143.9 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | cis | -137.1 | 174.5 | 18.6 | -149.9 | 124.4 | -127.3 | 0 | 0 | 113.5 | ||||
| 343 | T | 25.2 | Very low | 25.8 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 70% | 0.699 | 78% | 0.784 | S | S | * | * | trans | -64.6 | 162.7 | 171.5 | 49.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 344 | L | 25.5 | Very low | 25.9 | Very low | 152 Ų | 152 | 141.4 Ų | 141.4 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | -166 | 106.8 | 126.8 | -104 | 162.5 | 0 | 0 | 0 | 113.1 | |||||
| 345 | N | 26.4 | Very low | 26.1 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | trans | 64 | 137.9 | 147.3 | -65.9 | 14.4 | 0 | 0 | 0 | 124.3 | ||||
| 346 | E | 27.1 | Very low | 26 | Very low | 183 Ų | 183 | 140.9 Ų | 140.9 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | trans | -79.1 | -160.3 | 156.2 | -62.8 | 167.2 | 110.3 | 0 | 0 | 110 | ||||
| 347 | D | 24.5 | Very low | 26.1 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | 64.4 | 79.5 | 177 | -59.9 | -27.1 | 0 | 0 | 0 | 116.5 | ||||
| 348 | D | 26.9 | Very low | 26 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | -155.5 | 120.9 | 131.9 | -118.7 | -17.2 | 0 | 0 | 0 | 114.3 | ||||
| 349 | I | 26.8 | Very low | 26.2 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | 63.1 | 88.2 | 151.5 | -56 | 155.3 | 0 | 0 | 0 | 118.1 | ||||
| 350 | T | 24.4 | Very low | 26.3 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -47.3 | 148.2 | 144.7 | 49.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 351 | E | 26.6 | Very low | 26.3 | Very low | 182 Ų | 182 | 141.1 Ų | 141.1 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | -168.4 | 165.1 | 117.4 | -107.9 | 174.3 | 172.1 | 0 | 0 | 113 | |||||
| 352 | D | 26.8 | Very low | 26.2 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | 53.3 | 76.6 | 171 | -72.6 | -6.7 | 0 | 0 | 0 | 120 | ||||
| 353 | C | 21.9 | Very low | 26 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | trans | -131.4 | 114.9 | 145.4 | -86.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 354 | N | 25.6 | Very low | 26 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | trans | -157.6 | 153.5 | 168.4 | -112.5 | -45 | 0 | 0 | 0 | 112.4 | ||||
| 355 | S | 29.8 | Very low | 26 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | 56.6 | 99.4 | -167.1 | 63.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 356 | S | 25 | Very low | 26 | Very low | 113 Ų | 113 | 140 Ų | 140 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | cis | 76.3 | 119.5 | 47.1 | 91.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 357 | V | 27.8 | Very low | 26.1 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | trans | 169.2 | 104.1 | 140.7 | 156.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 358 | N | 26.7 | Very low | 26.3 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | 42.9 | 117.8 | 146.3 | -61.2 | -0.5 | 0 | 0 | 0 | 123.9 | ||||
| 359 | C | 24.7 | Very low | 26.4 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | trans | 74.2 | 165 | 130.6 | -59.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 360 | P | 28.5 | Very low | 26.6 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | -136.3 | -179.1 | -50.3 | 40.2 | -25.5 | 0 | 0 | 0 | 113.6 | |||||
| 361 | N | 26.6 | Very low | 26.9 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | trans | 56 | 102.2 | 159.2 | -65.5 | -1.5 | 0 | 0 | 0 | 119.2 | T363 | N361-T363 PolarHBondContact O-N 2.89Š| ||
| 362 | S | 24.8 | Very low | 27.1 | Very low | 126 Ų | 126 | 133 Ų | 133 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | trans | -73.5 | 85 | 178.5 | 57.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 363 | T | 24.9 | Very low | 27.4 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | trans | -139.5 | 151.5 | 158.7 | 46.2 | 0 | 0 | 0 | 0 | 112.6 | N361 | N361-T363 PolarHBondContact O-N 2.89Š| ||
| 364 | L | 25.1 | Very low | 28.1 | Very low | 160 Ų | 160 | 130.8 Ų | 130.8 | 84% | 0.838 | 74% | 0.743 | S | S | * | * | trans | 61.3 | 48.1 | 158.3 | -154.3 | 79.9 | 0 | 0 | 0 | 119.4 | ||||
| 365 | Y | 24.9 | Very low | 28.4 | Very low | 176 Ų | 176 | 129.3 Ų | 129.3 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | trans | -124.4 | 73.6 | 168.1 | -96.1 | -97 | 0 | 0 | 0 | 114.4 | K368 | Y365-K368 HydrophobicContact CD1-CD 4.47Å; Y365-K368 HydrophobicContact CE1-CD 3.56Å; Y365-K368 PolarHBondContact OH-NZ 3.25Å | ||
| 366 | A | 27.5 | Very low | 28.6 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 88% | 0.876 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -141.1 | 32.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 367 | S | 28.4 | Very low | 29.1 | Very low | 74 Ų | 74 | 133.7 Ų | 133.7 | 52% | 0.517 | 74% | 0.74 | S | S | . | * | trans | -145.1 | -7.7 | -168.6 | 53.1 | 0 | 0 | 0 | 0 | 116.4 | T369 | S367-T369 PolarHBondContact O-N 3.32Š| ||
| 368 | K | 27.9 | Very low | 29.4 | Very low | 138 Ų | 138 | 136 Ų | 136 | 60% | 0.6 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -5.8 | -162.9 | -136.4 | 169.6 | -175.3 | -177.9 | 0 | 116.5 | Y365 | Y365-K368 HydrophobicContact CD1-CD 4.47Å; Y365-K368 HydrophobicContact CE1-CD 3.56Å; Y365-K368 PolarHBondContact OH-NZ 3.25Å |
| 369 | T | 30 | Very low | 29.4 | Very low | 147 Ų | 147 | 135 Ų | 135 | 90% | 0.902 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -6.8 | -179.7 | 46.5 | 0 | 0 | 0 | 0 | 114.8 | S367 | S367-T369 PolarHBondContact O-N 3.32Š|
| 370 | M | 30.9 | Very low | 29.6 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 83% | 0.828 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -98.7 | -7.4 | 178.7 | -153.9 | 170.3 | -170.2 | 0 | 0 | 113.7 | ||
| 371 | I | 30.4 | Very low | 29.6 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 48% | 0.482 | 75% | 0.747 | S | S | . | * | G | 310 helix | trans | -82.4 | -28.9 | -170.9 | -64 | 174.1 | 0 | 0 | 0 | 112.5 | N373 E374 | I371-N373 PolarHBondContact O-N 2.93Å; I371-E374 PolarHBondContact O-N 3.13Å; I371-E374 VanDerWaalsContact O-N 3.1Å |
| 372 | H | 30 | Very low | 29.8 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -71.4 | -1.3 | -167 | -140.9 | -63 | 0 | 0 | 0 | 115.8 | ||
| 373 | N | 33.3 | Very low | 29.9 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -119.3 | 1.8 | 174.5 | -83.5 | -28.1 | 0 | 0 | 0 | 113.8 | I371 | I371-N373 PolarHBondContact O-N 2.93Š|
| 374 | E | 37.2 | Very low | 29.9 | Very low | 83 Ų | 83 | 140.9 Ų | 140.9 | 39% | 0.388 | 74% | 0.743 | S | S | . | * | S | Bend | trans | -88.7 | -6.5 | -177.6 | -81.1 | -123.4 | 109.2 | 0 | 0 | 114.8 | R214 I371 | R214-E374 IonicContact CZ-OE1 3.51Å; R214-E374 IonicContact NH1-OE1 2.68Å; R214-E374 PolarHBondContact NH1-OE1 2.91Å; R214-E374 VanDerWaalsContact NH1-OE1 3.08Å; R214-E374 IonicContact NH2-OE1 3.8Å; R214-E374 PolarHBondContact NH2-OE1 2.92Å; R214-E374 IonicContact NH2-OE2 3.91Å; I371-E374 PolarHBondContact O-N 3.13Å; I371-E374 VanDerWaalsContact O-N 3.1Å |
| 375 | L | 31.3 | Very low | 30.1 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -82.7 | -33.5 | -173.6 | -82.4 | 137 | 0 | 0 | 0 | 114.7 | D377 | L375-D377 PolarHBondContact O-N 3.35Š|
| 376 | N | 34.1 | Very low | 30.1 | Very low | 156 Ų | 156 | 141 Ų | 141 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -75.4 | -21.6 | -173.7 | -70.1 | -2.3 | 0 | 0 | 0 | 114 | R378 | N376-R378 PolarHBondContact O-N 2.95Š|
| 377 | D | 35.6 | Very low | 30.1 | Very low | 156 Ų | 156 | 145.5 Ų | 145.5 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -90.2 | 9 | -172.4 | -117.6 | 15.1 | 0 | 0 | 0 | 113.8 | L375 | L375-D377 PolarHBondContact O-N 3.35Š|
| 378 | R | 34 | Very low | 30.1 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 67% | 0.668 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -121 | -5.3 | -173.6 | -69.4 | -160.9 | -172.8 | -155.2 | 11 | 116.8 | N376 C380 | N376-R378 PolarHBondContact O-N 2.95Å; R378-C380 VanDerWaalsContact C-N 3.25Å; R378-C380 PolarHBondContact O-N 3.12Å |
| 379 | C | 27.8 | Very low | 30.1 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | trans | -78.4 | 56.8 | -167 | -155.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 380 | C | 28.1 | Very low | 29.9 | Very low | 126 Ų | 126 | 149.4 Ų | 149.4 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -156.1 | 28.9 | 179.5 | -105.7 | 0 | 0 | 0 | 0 | 115.6 | R378 | R378-C380 VanDerWaalsContact C-N 3.25Å; R378-C380 PolarHBondContact O-N 3.12Å |
| 381 | L | 29.4 | Very low | 29.8 | Very low | 154 Ų | 154 | 148 Ų | 148 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -165.5 | 124.7 | 157.2 | -111.6 | 162.7 | 0 | 0 | 0 | 111.2 | ||
| 382 | H | 30 | Very low | 29.7 | Very low | 156 Ų | 156 | 149.3 Ų | 149.3 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | 62.7 | 120 | -177.5 | -86.5 | -95 | 0 | 0 | 0 | 118.1 | ||||
| 383 | L | 26.1 | Very low | 29.7 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | -83.6 | 164.8 | 170.4 | -85.7 | 68.7 | 0 | 0 | 0 | 111.1 | ||||
| 384 | N | 26.4 | Very low | 29.7 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | 66 | 134.2 | 165.9 | -56.5 | -9.9 | 0 | 0 | 0 | 115.2 | ||||
| 385 | S | 28.8 | Very low | 29.7 | Very low | 102 Ų | 102 | 147.5 Ų | 147.5 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | cis | -147 | 142 | 16.6 | 49.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 386 | Y | 23.9 | Very low | 29.4 | Very low | 235 Ų | 235 | 145.7 Ų | 145.7 | 92% | 0.922 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -154.4 | 38.8 | 155.8 | -128.9 | -72.9 | 0 | 0 | 0 | 112.3 | ||
| 387 | F | 28.9 | Very low | 29.5 | Very low | 202 Ų | 202 | 144.9 Ų | 144.9 | 89% | 0.886 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -129.6 | 149.2 | 164 | -98.5 | -79.7 | 0 | 0 | 0 | 110.9 | ||
| 388 | H | 27.8 | Very low | 29.5 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | trans | -47.7 | 148.7 | -171.3 | -93.6 | -136.2 | 0 | 0 | 0 | 117.5 | ||||
| 389 | Q | 27.1 | Very low | 29.6 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | trans | 69.1 | 118.3 | 140.5 | -68.9 | 168.3 | -77.5 | 0 | 0 | 119.5 | ||||
| 390 | N | 27.3 | Very low | 29.7 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | 82.2 | 129.9 | 145.9 | -57.6 | 12 | 0 | 0 | 0 | 119.4 | ||||
| 391 | D | 27.7 | Very low | 30.1 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | trans | 72.6 | 133.5 | 149.8 | -51.1 | -31 | 0 | 0 | 0 | 122.3 | ||||
| 392 | S | 28.8 | Very low | 30.2 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | trans | 53.7 | 86.1 | 160.2 | 56.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 393 | T | 29.3 | Very low | 30.3 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | trans | -113.4 | 8.9 | 169.8 | 47.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 394 | D | 35 | Very low | 30.4 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -28 | -175.4 | -93.6 | -34.3 | 0 | 0 | 0 | 116.1 | ||
| 395 | D | 36 | Very low | 30.5 | Very low | 117 Ų | 117 | 145 Ų | 145 | 63% | 0.626 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -21.4 | -173.8 | -79.5 | -37.2 | 0 | 0 | 0 | 114.4 | L397 K398 | D395-L397 PolarHBondContact O-N 3.06Å; D395-K398 PolarHBondContact O-N 3.49Å; D395-K398 IonicContact OD1-NZ 3.52Å |
| 396 | C | 25.6 | Very low | 30.6 | Very low | 94 Ų | 94 | 142.9 Ų | 142.9 | 64% | 0.635 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -67.1 | -37.2 | 179.8 | -165.9 | 0 | 0 | 0 | 0 | 111.9 | K398 Q399 | C396-K398 VanDerWaalsContact C-N 3.27Å; C396-K398 PolarHBondContact O-N 2.96Å; C396-Q399 PolarHBondContact O-N 3.09Å |
| 397 | L | 36.1 | Very low | 30.9 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -70 | -18.1 | 178.2 | -80.3 | 162.8 | 0 | 0 | 0 | 113.8 | D395 | D395-L397 PolarHBondContact O-N 3.06Å |
| 398 | K | 35.3 | Very low | 30.9 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 56% | 0.557 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -81.6 | -24 | 176.5 | -76.2 | 171.8 | -174.9 | 153.9 | 0 | 114.1 | D395 C396 S401 N402 | D395-K398 PolarHBondContact O-N 3.49Å; D395-K398 IonicContact OD1-NZ 3.52Å; C396-K398 VanDerWaalsContact C-N 3.27Å; C396-K398 PolarHBondContact O-N 2.96Å; K398-S401 PolarHBondContact O-OG 3.47Å; K398-N402 PolarHBondContact O-ND2 3.46Å |
| 399 | Q | 35.8 | Very low | 31.1 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -85 | -31.8 | -177.9 | -67.5 | -167.6 | -4.5 | 0 | 0 | 113.2 | C396 S401 | C396-Q399 PolarHBondContact O-N 3.09Å; Q399-S401 VanDerWaalsContact C-N 3.29Å; Q399-S401 PolarHBondContact O-N 3.44Å |
| 400 | M | 31.5 | Very low | 31 | Very low | 153 Ų | 153 | 139.5 Ų | 139.5 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -9.6 | -179.3 | -79.6 | -168.9 | 163.4 | 0 | 0 | 115.4 | ||
| 401 | S | 34.7 | Very low | 30.9 | Very low | 88 Ų | 88 | 139.2 Ų | 139.2 | 62% | 0.615 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -4.1 | -175.9 | 52.3 | 0 | 0 | 0 | 0 | 115.4 | K398 Q399 | K398-S401 PolarHBondContact O-OG 3.47Å; Q399-S401 VanDerWaalsContact C-N 3.29Å; Q399-S401 PolarHBondContact O-N 3.44Å |
| 402 | N | 32.1 | Very low | 30.7 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 67% | 0.674 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -121.6 | 12.6 | -161.2 | -79.4 | -62.1 | 0 | 0 | 0 | 116.6 | K398 | K398-N402 PolarHBondContact O-ND2 3.46Š|
| 403 | Q | 32.6 | Very low | 30.6 | Very low | 170 Ų | 170 | 137.7 Ų | 137.7 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -136.1 | 155.9 | 176.6 | -67.1 | -168.3 | -1.5 | 0 | 0 | 113.5 | ||
| 404 | M | 27.8 | Very low | 30.5 | Very low | 189 Ų | 189 | 137.2 Ų | 137.2 | 93% | 0.931 | 76% | 0.758 | S | S | * | * | trans | 71.5 | 38.7 | -178.1 | -51.4 | -163.8 | -176.1 | 0 | 0 | 117.1 | G406 | M404-G406 PolarHBondContact O-N 3.45Š| ||
| 405 | I | 29.1 | Very low | 30.2 | Very low | 181 Ų | 181 | 137.1 Ų | 137.1 | 93% | 0.928 | 76% | 0.762 | S | S | * | * | trans | -73.6 | 115.6 | 145.8 | -62.9 | 175.9 | 0 | 0 | 0 | 107.5 | ||||
| 406 | G | 31.2 | Very low | 29.7 | Very low | 59 Ų | 59 | 138.3 Ų | 138.3 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | trans | -163.2 | 129.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | M404 | M404-G406 PolarHBondContact O-N 3.45Š| ||
| 407 | P | 29.7 | Very low | 29.7 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | trans | -76.4 | 153.2 | -175.9 | 31.1 | -34.8 | 0 | 0 | 0 | 112.5 | ||||
| 408 | N | 29.1 | Very low | 29.3 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | 65.3 | 81.2 | 169.5 | -55.2 | -39.6 | 0 | 0 | 0 | 117.2 | ||||
| 409 | N | 31.1 | Very low | 29 | Very low | 172 Ų | 172 | 143 Ų | 143 | 92% | 0.92 | 78% | 0.777 | S | S | * | * | trans | -151.7 | 148.8 | 134.4 | -111.6 | -42.4 | 0 | 0 | 0 | 113.4 | ||||
| 410 | R | 24.6 | Very low | 28.7 | Very low | 233 Ų | 233 | 142.3 Ų | 142.3 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | -102.9 | 108.2 | -170.4 | -70.6 | -179.9 | 177.3 | 168.3 | -0.3 | 112.6 | ||||
| 411 | C | 25 | Very low | 28.7 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -123.4 | 95 | 161.8 | -72.2 | 0 | 0 | 0 | 0 | 110.4 | C413 | C411-C413 VanDerWaalsContact C-N 3.29Å; C411-C413 PolarHBondContact O-N 2.87Å | ||
| 412 | S | 25.2 | Very low | 28.5 | Very low | 111 Ų | 111 | 146.1 Ų | 146.1 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -78.2 | 69.7 | -177.8 | -62.6 | 0 | 0 | 0 | 0 | 113.4 | S414 | S412-S414 PolarHBondContact O-N 3.1Š| ||
| 413 | C | 24.8 | Very low | 28.5 | Very low | 119 Ų | 119 | 148 Ų | 148 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -81.8 | 71.6 | 155.4 | -78.6 | 0 | 0 | 0 | 0 | 109.4 | C411 T415 | C411-C413 VanDerWaalsContact C-N 3.29Å; C411-C413 PolarHBondContact O-N 2.87Å; C413-T415 PolarHBondContact O-N 3.26Å | ||
| 414 | S | 28.3 | Very low | 28.3 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -63.6 | 103.1 | 176.5 | -62.2 | 0 | 0 | 0 | 0 | 110.1 | S412 | S412-S414 PolarHBondContact O-N 3.1Š| ||
| 415 | T | 29.3 | Very low | 28.6 | Very low | 131 Ų | 131 | 143 Ų | 143 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -65.6 | 147.9 | 178.7 | 31.9 | 0 | 0 | 0 | 0 | 111.6 | C413 K417 | C413-T415 PolarHBondContact O-N 3.26Å; T415-K417 PolarHBondContact O-N 3.49Å | ||
| 416 | M | 25.6 | Very low | 28.5 | Very low | 142 Ų | 142 | 141.3 Ų | 141.3 | 70% | 0.7 | 78% | 0.778 | S | S | * | * | trans | -64.3 | 116 | 168.4 | -177.1 | 173 | -178 | 0 | 0 | 108.2 | I418 | M416-I418 PolarHBondContact O-N 2.99Å; M416-I418 VanDerWaalsContact O-N 3.15Å | ||
| 417 | K | 24.4 | Very low | 28.5 | Very low | 178 Ų | 178 | 149.8 Ų | 149.8 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | trans | -58.6 | 118.2 | 169.8 | -91.2 | -165.4 | 170.4 | -160.1 | 0 | 108.8 | T415 | T415-K417 PolarHBondContact O-N 3.49Š| ||
| 418 | I | 28.9 | Very low | 28.5 | Very low | 143 Ų | 143 | 152.4 Ų | 152.4 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | -120.1 | 114 | 154.2 | -63.5 | -179.9 | 0 | 0 | 0 | 104.4 | M416 | M416-I418 PolarHBondContact O-N 2.99Å; M416-I418 VanDerWaalsContact O-N 3.15Å | ||
| 419 | H | 28.4 | Very low | 28.4 | Very low | 140 Ų | 140 | 149.8 Ų | 149.8 | 65% | 0.648 | 79% | 0.789 | S | S | * | * | trans | -71.6 | 125.8 | 166.3 | -94.3 | -100.2 | 0 | 0 | 0 | 107.8 | ||||
| 420 | N | 29.8 | Very low | 28.5 | Very low | 146 Ų | 146 | 148.4 Ų | 148.4 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | 172.4 | 98.1 | 125 | -86.1 | -0.5 | 0 | 0 | 0 | 107.4 | |||||
| 421 | D | 30.5 | Very low | 28.8 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -67.9 | 137.1 | 164.6 | -63.7 | -65.9 | 0 | 0 | 0 | 108.8 | D423 | D421-D423 PolarHBondContact O-N 3.02Š| ||
| 422 | H | 31.5 | Very low | 29.1 | Very low | 162 Ų | 162 | 141 Ų | 141 | 75% | 0.75 | 77% | 0.772 | S | S | * | * | trans | -78.6 | 112.9 | 167.3 | -99.3 | -107.2 | 0 | 0 | 0 | 108.4 | ||||
| 423 | D | 32.3 | Very low | 29.2 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -99.7 | 110.9 | 149.6 | -97.8 | -35.1 | 0 | 0 | 0 | 107.4 | D421 | D421-D423 PolarHBondContact O-N 3.02Š| ||
| 424 | L | 28.3 | Very low | 29.5 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 71% | 0.707 | 77% | 0.772 | S | S | * | * | trans | -140 | 81.7 | -177.5 | -157.4 | 166.2 | 0 | 0 | 0 | 108.9 | ||||
| 425 | T | 32.7 | Very low | 29.5 | Very low | 117 Ų | 117 | 145.6 Ų | 145.6 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | -152.8 | 146.8 | 170.2 | 0.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 426 | D | 27.8 | Very low | 29.4 | Very low | 146 Ų | 146 | 145.5 Ų | 145.5 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | trans | 58.8 | 73.8 | 155.2 | -58 | -10.4 | 0 | 0 | 0 | 120.1 | ||||
| 427 | R | 30.9 | Very low | 29.6 | Very low | 237 Ų | 237 | 146.2 Ų | 146.2 | 89% | 0.894 | 76% | 0.762 | S | S | * | * | trans | -135.8 | 105.8 | 131.4 | -76.3 | -158.9 | 171.9 | -175 | -2.6 | 113.3 | ||||
| 428 | M | 30 | Very low | 29.9 | Very low | 174 Ų | 174 | 144.1 Ų | 144.1 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | trans | 34.2 | 98.5 | 130 | -67.6 | 170.3 | 178 | 0 | 0 | 116.3 | ||||
| 429 | S | 26.6 | Very low | 29.7 | Very low | 95 Ų | 95 | 142.5 Ų | 142.5 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | 84 | 147.7 | 78.5 | 70 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 430 | T | 32.4 | Very low | 29.8 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | 75.9 | 136.3 | -165.5 | 73.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 431 | S | 31.7 | Very low | 29.6 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | cis | -155.7 | 126.5 | -11.1 | 49.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 432 | S | 30.7 | Very low | 29.5 | Very low | 100 Ų | 100 | 141 Ų | 141 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | trans | 37 | 124.3 | 143.5 | 61.1 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 433 | R | 27.4 | Very low | 29.3 | Very low | 234 Ų | 234 | 140.3 Ų | 140.3 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | 61.7 | 148.1 | 129.5 | -69 | -170.9 | 161.9 | 162.2 | -7.4 | 119.2 | |||||
| 434 | T | 31.7 | Very low | 29 | Very low | 111 Ų | 111 | 141 Ų | 141 | 68% | 0.681 | 74% | 0.743 | S | S | * | * | cis | -162.1 | 133.5 | 1.6 | 5.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 435 | S | 27.8 | Very low | 29 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | trans | 38.6 | 137.8 | 132.8 | 65.2 | 0 | 0 | 0 | 0 | 125 | ||||
| 436 | N | 27.4 | Very low | 28.8 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | trans | 97.5 | 145.2 | 133.8 | -82.6 | 29.8 | 0 | 0 | 0 | 122.8 | ||||
| 437 | E | 30.7 | Very low | 28.6 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | 65.7 | 144.3 | 154.4 | -69.5 | 141.7 | -133.2 | 0 | 0 | 118 | ||||
| 438 | D | 29.3 | Very low | 28.3 | Very low | 135 Ų | 135 | 141 Ų | 141 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | cis | -161.9 | 136.2 | -10.5 | -117.3 | 13.8 | 0 | 0 | 0 | 109.4 | ||||
| 439 | V | 26.6 | Very low | 28.2 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 66% | 0.655 | 75% | 0.75 | S | S | * | * | 84.6 | 138 | 96 | 171.6 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 440 | T | 29 | Very low | 28.1 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | 62.6 | 125.9 | 174 | 43.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 441 | E | 26.9 | Very low | 27.8 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 66% | 0.659 | 75% | 0.753 | S | S | * | * | cis | 94.1 | 118.7 | 49.5 | -169.8 | -166.3 | 164.2 | 0 | 0 | 112.8 | K443 | E441-K443 IonicContact OE1-NZ 3.44Š| ||
| 442 | I | 27.7 | Very low | 27.5 | Very low | 154 Ų | 154 | 144 Ų | 144 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | trans | -172.7 | 143.3 | 130.2 | -96.1 | 155.5 | 0 | 0 | 0 | 112.4 | ||||
| 443 | K | 26.5 | Very low | 27.4 | Very low | 148 Ų | 148 | 149.2 Ų | 149.2 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | trans | -42 | 138.7 | 176.9 | -65.1 | 129.6 | -167.2 | 172 | 0 | 114.1 | E441 | E441-K443 IonicContact OE1-NZ 3.44Š| ||
| 444 | Q | 26.8 | Very low | 27.3 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | 76.1 | 98.1 | 53.9 | -174.9 | -169.3 | 0.1 | 0 | 0 | 113.6 | |||||
| 445 | T | 27.5 | Very low | 27 | Very low | 125 Ų | 125 | 149.9 Ų | 149.9 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | trans | -154.7 | 159.4 | 165.6 | 12.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 446 | D | 28.4 | Very low | 26.8 | Very low | 149 Ų | 149 | 151.2 Ų | 151.2 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | 72.3 | 80.9 | 150.9 | -54.6 | -13.7 | 0 | 0 | 0 | 121.2 | ||||
| 447 | F | 24.8 | Very low | 26.9 | Very low | 194 Ų | 194 | 152.7 Ų | 152.7 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -46.3 | 165.4 | 142.5 | -122.7 | -119.7 | 0 | 0 | 0 | 114.3 | ||||
| 448 | Q | 25 | Very low | 26.6 | Very low | 166 Ų | 166 | 150.3 Ų | 150.3 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | 74.4 | 102.8 | 164.7 | -58.4 | -178 | 12.8 | 0 | 0 | 119.5 | ||||
| 449 | S | 26.5 | Very low | 26.4 | Very low | 129 Ų | 129 | 149.5 Ų | 149.5 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | -151 | 63.9 | 150.7 | -74.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 450 | I | 25.9 | Very low | 26.4 | Very low | 149 Ų | 149 | 150.7 Ų | 150.7 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | -82.9 | 132.7 | 179.4 | -73.1 | 176.1 | 0 | 0 | 0 | 110.2 | ||||
| 451 | K | 25.3 | Very low | 26.3 | Very low | 193 Ų | 193 | 151.2 Ų | 151.2 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | 62.7 | 115.5 | -176.2 | -60.5 | 164 | -179.2 | 173.7 | 0 | 112.1 | ||||
| 452 | S | 25.3 | Very low | 26.3 | Very low | 108 Ų | 108 | 154.8 Ų | 154.8 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | -173.1 | 137.4 | 57.6 | 43.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 453 | F | 28.3 | Very low | 26.2 | Very low | 209 Ų | 209 | 153.5 Ų | 153.5 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | -158.7 | 61.6 | 144.3 | -127.3 | -78.7 | 0 | 0 | 0 | 111.8 | K455 | F453-K455 PolarHBondContact O-N 3.37Š| ||
| 454 | N | 26.3 | Very low | 26.1 | Very low | 162 Ų | 162 | 153.6 Ų | 153.6 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -77.3 | 104.7 | 173 | -89.3 | -19.9 | 0 | 0 | 0 | 110.7 | ||||
| 455 | K | 24.9 | Very low | 26.1 | Very low | 196 Ų | 196 | 149.6 Ų | 149.6 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | trans | -177.5 | 101.6 | 146.5 | -105.8 | 163.1 | -176.7 | 177.5 | 0 | 112.3 | F453 | F453-K455 PolarHBondContact O-N 3.37Š| ||
| 456 | C | 23.7 | Very low | 26.2 | Very low | 122 Ų | 122 | 152.9 Ų | 152.9 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | S | Bend | 175.5 | 155.1 | 115.8 | -97 | 0 | 0 | 0 | 0 | 111.7 | |||
| 457 | L | 29.2 | Very low | 26.1 | Very low | 161 Ų | 161 | 155 Ų | 155 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | 68.3 | 93.6 | 169.8 | -67.5 | 157.3 | 0 | 0 | 0 | 117.4 | ||||
| 458 | S | 24.5 | Very low | 26.1 | Very low | 106 Ų | 106 | 154 Ų | 154 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -42.5 | 159.8 | 164.3 | -120.6 | 0 | 0 | 0 | 0 | 116 | N460 | S458-N460 PolarHBondContact O-N 3.06Š| ||
| 459 | P | 25.3 | Very low | 26.2 | Very low | 118 Ų | 118 | 152.5 Ų | 152.5 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -76.6 | 112 | -175.2 | 31 | -34.7 | 0 | 0 | 0 | 113.5 | ||
| 460 | N | 26.6 | Very low | 26.1 | Very low | 134 Ų | 134 | 152.1 Ų | 152.1 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | trans | -153.1 | -27.5 | 158.3 | -97.1 | -45.6 | 0 | 0 | 0 | 113.8 | S458 Y462 V463 | S458-N460 PolarHBondContact O-N 3.06Å; N460-Y462 VanDerWaalsContact C-N 3.29Å; N460-Y462 PolarHBondContact O-N 3.09Å; N460-Y462 VanDerWaalsContact O-N 3.09Å; N460-V463 PolarHBondContact O-N 3.18Å | ||
| 461 | D | 27.6 | Very low | 26.2 | Very low | 131 Ų | 131 | 150.8 Ų | 150.8 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 10.8 | -164.4 | -62.7 | -49.3 | 0 | 0 | 0 | 117.1 | ||
| 462 | Y | 26.1 | Very low | 26.3 | Very low | 216 Ų | 216 | 149.3 Ų | 149.3 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 12.2 | 171.3 | -131.3 | -96.8 | 0 | 0 | 0 | 114.4 | N460 | N460-Y462 VanDerWaalsContact C-N 3.29Å; N460-Y462 PolarHBondContact O-N 3.09Å; N460-Y462 VanDerWaalsContact O-N 3.09Å |
| 463 | V | 26.1 | Very low | 26.4 | Very low | 126 Ų | 126 | 149.6 Ų | 149.6 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -106.1 | 5.9 | 178.3 | -170 | 0 | 0 | 0 | 0 | 112.6 | N460 | N460-V463 PolarHBondContact O-N 3.18Š|
| 464 | I | 25.3 | Very low | 26.3 | Very low | 150 Ų | 150 | 146.1 Ų | 146.1 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -120.6 | 71.2 | 173.7 | -60.3 | 169.2 | 0 | 0 | 0 | 110.5 | ||
| 465 | S | 26.7 | Very low | 26.4 | Very low | 97 Ų | 97 | 150 Ų | 150 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -148.2 | -19.5 | 163.1 | 68.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 466 | K | 28.7 | Very low | 26.5 | Very low | 195 Ų | 195 | 148 Ų | 148 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -111.5 | 44.6 | 172.4 | -80.2 | -177.2 | 174.2 | 171.9 | 0 | 113.9 | ||
| 467 | K | 25.5 | Very low | 26.6 | Very low | 194 Ų | 194 | 149.9 Ų | 149.9 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -176.5 | 130.8 | 151.7 | -103.2 | 152.6 | -175 | 179.2 | 0 | 113.2 | ||
| 468 | K | 25.5 | Very low | 26.6 | Very low | 173 Ų | 173 | 151.1 Ų | 151.1 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | 80.4 | 70 | 149.4 | -151.3 | -173.1 | -179.5 | -173.8 | 0 | 120.7 | I470 | K468-I470 HydrophobicContact CD-CD1 4.32Å; K468-I470 HydrophobicContact CG-CD1 3.57Å; K468-I470 HydrophobicContact CG-CG1 4.07Å | ||
| 469 | T | 26.7 | Very low | 26.9 | Very low | 134 Ų | 134 | 153.3 Ų | 153.3 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -138 | 121.5 | 138.7 | 6.8 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 470 | I | 24.8 | Very low | 27.2 | Very low | 120 Ų | 120 | 155.3 Ų | 155.3 | 62% | 0.615 | 78% | 0.775 | S | S | * | * | cis | 66.4 | 63.1 | 12.4 | -40.8 | -168.3 | 0 | 0 | 0 | 114.3 | K468 | K468-I470 HydrophobicContact CD-CD1 4.32Å; K468-I470 HydrophobicContact CG-CD1 3.57Å; K468-I470 HydrophobicContact CG-CG1 4.07Å | ||
| 471 | V | 28.1 | Very low | 27.3 | Very low | 122 Ų | 122 | 153.7 Ų | 153.7 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | trans | -133.3 | 108.9 | 132.2 | -169.4 | 0 | 0 | 0 | 0 | 102.2 | ||||
| 472 | E | 27.1 | Very low | 27.5 | Very low | 162 Ų | 162 | 154.5 Ų | 154.5 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | 51.6 | 129 | 88.1 | -65.4 | -172.7 | 166.7 | 0 | 0 | 112.1 | |||||
| 473 | T | 26.7 | Very low | 27.7 | Very low | 113 Ų | 113 | 154 Ų | 154 | 69% | 0.693 | 78% | 0.781 | S | S | * | * | cis | -150 | 174.3 | 27.8 | -1.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 474 | N | 26.8 | Very low | 27.9 | Very low | 137 Ų | 137 | 154.1 Ų | 154.1 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | 60.9 | 79.9 | 154.4 | -58.7 | -20.6 | 0 | 0 | 0 | 119.4 | ||||
| 475 | Y | 28.5 | Very low | 28 | Very low | 243 Ų | 243 | 156.2 Ų | 156.2 | 95% | 0.953 | 79% | 0.794 | S | S | * | * | -160.5 | 63.8 | 113.4 | -114.2 | -70.8 | 0 | 0 | 0 | 112.2 | |||||
| 476 | N | 27.1 | Very low | 28.1 | Very low | 155 Ų | 155 | 160.4 Ų | 160.4 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | -78.5 | 166.1 | 163.9 | -97.7 | -39.1 | 0 | 0 | 0 | 111 | ||||
| 477 | L | 26.8 | Very low | 28.2 | Very low | 160 Ų | 160 | 161 Ų | 161 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | 105.3 | 69.5 | 162.4 | -57.2 | 167.4 | 0 | 0 | 0 | 118.6 | ||||
| 478 | K | 27.4 | Very low | 28.3 | Very low | 187 Ų | 187 | 161.3 Ų | 161.3 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | 178.6 | 150.2 | 110.3 | -96.8 | 167.8 | -179.1 | 176.6 | 0 | 112.3 | |||||
| 479 | H | 31.3 | Very low | 28.6 | Very low | 153 Ų | 153 | 160.2 Ų | 160.2 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 60.7 | 111.2 | 178.6 | -53.9 | -73.1 | 0 | 0 | 0 | 114.6 | ||
| 480 | N | 32.4 | Very low | 28.7 | Very low | 159 Ų | 159 | 161.9 Ų | 161.9 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | cis | -138.4 | 131.2 | 32.7 | -71.4 | -43.6 | 0 | 0 | 0 | 113.5 | ||||
| 481 | S | 29 | Very low | 28.8 | Very low | 100 Ų | 100 | 163.9 Ų | 163.9 | 70% | 0.699 | 82% | 0.82 | S | S | * | * | trans | -76.6 | 163.8 | 149.2 | 45.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 482 | N | 30.6 | Very low | 28.9 | Very low | 148 Ų | 148 | 166.8 Ų | 166.8 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | trans | 67.2 | 72.2 | 163.8 | -55.2 | -7.1 | 0 | 0 | 0 | 118.2 | ||||
| 483 | F | 30 | Very low | 29.1 | Very low | 207 Ų | 207 | 164 Ų | 164 | 91% | 0.908 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -157.2 | 59.6 | 139.3 | -133.9 | -84.9 | 0 | 0 | 0 | 114.5 | ||
| 484 | S | 30.8 | Very low | 29.1 | Very low | 127 Ų | 127 | 167.3 Ų | 167.3 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -151.7 | 34 | 175.3 | -74 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 485 | Q | 28.6 | Very low | 29.1 | Very low | 195 Ų | 195 | 166 Ų | 166 | 91% | 0.911 | 83% | 0.833 | S | S | * | * | trans | -101.1 | 14.6 | -177.3 | -132.4 | 179.9 | 13.8 | 0 | 0 | 114.8 | ||||
| 486 | M | 28.3 | Very low | 28.9 | Very low | 185 Ų | 185 | 160.2 Ų | 160.2 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -138.5 | 78 | 176.8 | -76.9 | -170.8 | 169 | 0 | 0 | 112.7 | ||
| 487 | K | 30.1 | Very low | 29.1 | Very low | 208 Ų | 208 | 161.7 Ų | 161.7 | 90% | 0.904 | 83% | 0.825 | S | S | * | * | S | Bend | trans | 174 | 73.8 | 139.9 | -98.7 | -173.2 | 173.8 | -164.2 | 0 | 112.7 | ||
| 488 | K | 27.8 | Very low | 28.9 | Very low | 199 Ų | 199 | 160 Ų | 160 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | trans | -145.5 | 153.5 | 149.4 | -94.2 | -170.2 | 174.8 | -175.6 | 0 | 105.9 | ||||
| 489 | I | 30.9 | Very low | 29 | Very low | 151 Ų | 151 | 162.3 Ų | 162.3 | 77% | 0.774 | 82% | 0.821 | S | S | * | * | trans | 68.7 | 123.2 | -147.8 | -46.8 | 162.9 | 0 | 0 | 0 | 107.8 | ||||
| 490 | E | 29.5 | Very low | 28.8 | Very low | 169 Ų | 169 | 162.8 Ų | 162.8 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | cis | -138.2 | 151.9 | 13.4 | -142.4 | 138.1 | -134.4 | 0 | 0 | 111.1 | ||||
| 491 | N | 27.2 | Very low | 28.7 | Very low | 162 Ų | 162 | 159.6 Ų | 159.6 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | -133.9 | 103.3 | 174.4 | -115.1 | 24.9 | 0 | 0 | 0 | 107.4 | ||||
| 492 | Q | 30.3 | Very low | 28.8 | Very low | 183 Ų | 183 | 160.1 Ų | 160.1 | 86% | 0.855 | 82% | 0.823 | S | S | * | * | trans | -167.7 | 166.4 | 167.9 | -113.6 | 159.9 | 12.4 | 0 | 0 | 112.2 | ||||
| 493 | S | 30.5 | Very low | 28.8 | Very low | 102 Ų | 102 | 158.9 Ų | 158.9 | 71% | 0.713 | 82% | 0.823 | S | S | * | * | trans | 51.1 | 83.6 | 169.4 | 60.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 494 | E | 27 | Very low | 28.8 | Very low | 183 Ų | 183 | 157.7 Ų | 157.7 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | 54.8 | 151.6 | 108.1 | -63.9 | 176 | 138.3 | 0 | 0 | 123.7 | |||||
| 495 | S | 26.4 | Very low | 28.9 | Very low | 110 Ų | 110 | 160 Ų | 160 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | trans | 97.2 | 97.4 | 144.3 | 71.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 496 | V | 25.1 | Very low | 28.8 | Very low | 121 Ų | 121 | 159.4 Ų | 159.4 | 73% | 0.733 | 82% | 0.816 | S | S | * | * | 30.3 | 119.1 | 128.2 | -152.1 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 497 | Q | 30.1 | Very low | 28.7 | Very low | 187 Ų | 187 | 155.7 Ų | 155.7 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | -168.8 | 160.6 | 103.6 | -97.6 | -176.6 | 11.8 | 0 | 0 | 113.5 | |||||
| 498 | L | 23.7 | Very low | 28.6 | Very low | 124 Ų | 124 | 151.8 Ų | 151.8 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | trans | -85.2 | 162.7 | -167.3 | -69.6 | 65.8 | 0 | 0 | 0 | 112.2 | ||||
| 499 | Y | 29.7 | Very low | 28.5 | Very low | 235 Ų | 235 | 149.6 Ų | 149.6 | 92% | 0.922 | 80% | 0.796 | S | S | * | * | -156.1 | 137 | 111.8 | -112.4 | -74.9 | 0 | 0 | 0 | 111.5 | |||||
| 500 | E | 27.7 | Very low | 28.3 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -89.5 | -179.6 | 173.7 | -58.2 | 178.2 | 107.8 | 0 | 0 | 109.2 | ||||
| 501 | A | 29.7 | Very low | 28.2 | Very low | 92 Ų | 92 | 147.2 Ų | 147.2 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | cis | -164.2 | -179.8 | 22.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 502 | S | 29.9 | Very low | 28.4 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | 93.2 | 105.2 | 146 | -154.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 503 | P | 31.9 | Very low | 28.2 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -134.5 | 97.8 | 161.8 | 35.7 | -17.4 | 0 | 0 | 0 | 113.3 | ||||
| 504 | Q | 30.5 | Very low | 28.1 | Very low | 181 Ų | 181 | 147 Ų | 147 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -149 | 122.3 | 167.2 | -69.4 | -164.7 | 16.1 | 0 | 0 | 113.8 | ||||
| 505 | L | 32.3 | Very low | 28.3 | Very low | 177 Ų | 177 | 148.3 Ų | 148.3 | 93% | 0.927 | 79% | 0.792 | S | S | * | * | -166.9 | 147.1 | 123.7 | -136.6 | 73.5 | 0 | 0 | 0 | 111.2 | |||||
| 506 | K | 26.2 | Very low | 28.3 | Very low | 182 Ų | 182 | 149.9 Ų | 149.9 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -160 | 110.3 | -178.3 | -173.7 | -166.4 | -175.1 | -166 | 0 | 110.1 | ||||
| 507 | S | 25.9 | Very low | 28.4 | Very low | 107 Ų | 107 | 155.1 Ų | 155.1 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | 169.5 | 169.8 | 159.3 | 51.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 508 | V | 27.2 | Very low | 28.1 | Very low | 125 Ų | 125 | 153.2 Ų | 153.2 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | trans | 72 | 126.1 | 166.4 | -175 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 509 | M | 25.6 | Very low | 28.2 | Very low | 153 Ų | 153 | 155.2 Ų | 155.2 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | cis | -160.9 | 156.3 | -14.4 | -115.7 | -177.8 | -172.7 | 0 | 0 | 111.8 | ||||
| 510 | I | 27.7 | Very low | 27.9 | Very low | 141 Ų | 141 | 149.3 Ų | 149.3 | 72% | 0.723 | 79% | 0.792 | S | S | * | * | trans | 62.2 | 128.7 | 147.3 | -62.2 | 164.2 | 0 | 0 | 0 | 120.9 | ||||
| 511 | T | 28.2 | Very low | 27.8 | Very low | 129 Ų | 129 | 149.1 Ų | 149.1 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -132.4 | 146.7 | 154.4 | 57 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 512 | P | 30.4 | Very low | 27.8 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | -106.5 | 164 | 155.7 | 34.2 | -26.1 | 0 | 0 | 0 | 112.7 | ||||
| 513 | K | 26.9 | Very low | 27.5 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 77% | 0.774 | 79% | 0.791 | S | S | * | * | trans | -109.4 | 166.3 | -175.4 | -75.1 | -179.1 | 176 | 175.7 | 0 | 112.5 | ||||
| 514 | N | 27 | Very low | 27.4 | Very low | 142 Ų | 142 | 149.8 Ų | 149.8 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | 66.7 | 121.9 | 155.7 | -61.7 | -7.9 | 0 | 0 | 0 | 118.4 | ||||
| 515 | F | 31.3 | Very low | 27.3 | Very low | 209 Ų | 209 | 148 Ų | 148 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | -150.8 | 150.6 | 112.4 | -125.5 | -87.4 | 0 | 0 | 0 | 110.2 | |||||
| 516 | N | 26.3 | Very low | 26.8 | Very low | 143 Ų | 143 | 146.3 Ų | 146.3 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | -104.4 | 142.2 | 177.1 | -69.7 | -46.5 | 0 | 0 | 0 | 110.2 | ||||
| 517 | R | 27.1 | Very low | 26.9 | Very low | 232 Ų | 232 | 146.7 Ų | 146.7 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | -174.4 | 155.8 | 118.2 | -103 | 174.7 | -175.8 | -160 | 0.2 | 114.4 | |||||
| 518 | E | 24.1 | Very low | 26.9 | Very low | 147 Ų | 147 | 147.4 Ų | 147.4 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | trans | -33.7 | 155.9 | 161.3 | -64.8 | 142.7 | 151.6 | 0 | 0 | 114.9 | ||||
| 519 | L | 26.3 | Very low | 26.8 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | -155.7 | -155.9 | 58.8 | -152.5 | 64.6 | 0 | 0 | 0 | 113.7 | |||||
| 520 | C | 23.1 | Very low | 26.9 | Very low | 111 Ų | 111 | 147.1 Ų | 147.1 | 75% | 0.75 | 77% | 0.774 | S | S | * | * | trans | -115.2 | 148.9 | -159.8 | -61.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 521 | I | 25.2 | Very low | 26.9 | Very low | 160 Ų | 160 | 149.4 Ų | 149.4 | 82% | 0.821 | 78% | 0.782 | S | S | * | * | 4.1 | 139.6 | 126.6 | -63.8 | 165.9 | 0 | 0 | 0 | 115.6 | |||||
| 522 | P | 29.5 | Very low | 27 | Very low | 107 Ų | 107 | 151.1 Ų | 151.1 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | cis | -143 | 177 | 28.2 | 30.7 | -6.8 | 0 | 0 | 0 | 119.6 | ||||
| 523 | S | 24.5 | Very low | 26.9 | Very low | 109 Ų | 109 | 151.3 Ų | 151.3 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | 72.5 | 151.9 | 145.6 | -71.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 524 | P | 30.5 | Very low | 27.1 | Very low | 124 Ų | 124 | 149.7 Ų | 149.7 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | trans | -91.5 | 144.5 | 177.1 | 36.6 | -33.3 | 0 | 0 | 0 | 112.5 | ||||
| 525 | I | 27.4 | Very low | 27.4 | Very low | 144 Ų | 144 | 151.8 Ų | 151.8 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -135 | 136.5 | 171.1 | -65.9 | -177.4 | 0 | 0 | 0 | 109.6 | F527 | I525-F527 HydrophobicContact CG2-CD2 3.93Å; I525-F527 HydrophobicContact CG2-CE2 3.77Å | ||
| 526 | L | 23.1 | Very low | 27.3 | Very low | 141 Ų | 141 | 150.4 Ų | 150.4 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | -67.9 | 134.5 | 172 | -172.4 | 82.3 | 0 | 0 | 0 | 109.9 | ||||
| 527 | F | 27.8 | Very low | 27.3 | Very low | 190 Ų | 190 | 148.3 Ų | 148.3 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | trans | -138.9 | 134 | 164.6 | -97.4 | -77.4 | 0 | 0 | 0 | 111.1 | I525 | I525-F527 HydrophobicContact CG2-CD2 3.93Å; I525-F527 HydrophobicContact CG2-CE2 3.77Å | ||
| 528 | D | 25.1 | Very low | 27.5 | Very low | 121 Ų | 121 | 147.9 Ų | 147.9 | 65% | 0.647 | 79% | 0.786 | S | S | * | * | trans | -94.4 | 170.2 | -174.2 | -65.4 | -73 | 0 | 0 | 0 | 112.8 | ||||
| 529 | S | 25.4 | Very low | 27.9 | Very low | 101 Ų | 101 | 149.1 Ų | 149.1 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | 66.9 | 138.7 | 145.3 | 55.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 530 | E | 27.3 | Very low | 28.4 | Very low | 172 Ų | 172 | 149 Ų | 149 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 59.8 | 76 | 147.8 | -64.2 | -176.6 | 141.3 | 0 | 0 | 119.4 | ||||
| 531 | E | 27.8 | Very low | 28.9 | Very low | 188 Ų | 188 | 149.9 Ų | 149.9 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | S | Bend | -162.7 | 111.2 | 116.3 | -111.9 | -172.3 | 152.7 | 0 | 0 | 112.8 | |||
| 532 | I | 30.5 | Very low | 29.4 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | 163.3 | 35.2 | 151.2 | -82.6 | 156.7 | 0 | 0 | 0 | 109.6 | N534 | I532-N534 PolarHBondContact O-N 3.13Š| ||
| 533 | T | 28.4 | Very low | 29.6 | Very low | 129 Ų | 129 | 149 Ų | 149 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -79.9 | 61 | 178.1 | -43.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 534 | N | 30.5 | Very low | 30 | Very low | 144 Ų | 144 | 152.6 Ų | 152.6 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -149.8 | 31.6 | -169.1 | -117.1 | -26.9 | 0 | 0 | 0 | 116.1 | I532 | I532-N534 PolarHBondContact O-N 3.13Š| ||
| 535 | H | 33.4 | Very low | 30 | Very low | 186 Ų | 186 | 153.7 Ų | 153.7 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -146.3 | 12 | 169.2 | -107.2 | -62.9 | 0 | 0 | 0 | 116.1 | ||
| 536 | L | 29.2 | Very low | 30.2 | Very low | 179 Ų | 179 | 153.5 Ų | 153.5 | 94% | 0.937 | 79% | 0.787 | S | S | * | * | trans | -121.1 | 85 | 175.9 | -88.7 | 162.5 | 0 | 0 | 0 | 109.9 | ||||
| 537 | S | 27.9 | Very low | 30.6 | Very low | 100 Ų | 100 | 156.7 Ų | 156.7 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -155.3 | 31.3 | -176.5 | 54.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 538 | Y | 30.7 | Very low | 30.9 | Very low | 222 Ų | 222 | 154.2 Ų | 154.2 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -140.9 | 141.4 | 166.3 | -102.6 | -88 | 0 | 0 | 0 | 110.6 | ||
| 539 | L | 32.9 | Very low | 31.1 | Very low | 174 Ų | 174 | 154.5 Ų | 154.5 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | 67.9 | 84.5 | -177.6 | -51.8 | 178 | 0 | 0 | 0 | 114.8 | ||||
| 540 | Q | 36.4 | Very low | 31.4 | Very low | 163 Ų | 163 | 154.9 Ų | 154.9 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -126.9 | 133.3 | 160.1 | 174.4 | 167.4 | -6.1 | 0 | 0 | 109.8 | ||||
| 541 | D | 33.1 | Very low | 31.4 | Very low | 129 Ų | 129 | 151 Ų | 151 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | trans | 61.3 | 158.6 | 159.6 | -66.7 | -18.6 | 0 | 0 | 0 | 120.9 | ||||
| 542 | P | 36.5 | Very low | 31.6 | Very low | 106 Ų | 106 | 149.9 Ų | 149.9 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | cis | -132.3 | -178.2 | -32.5 | 34.2 | -17.6 | 0 | 0 | 0 | 112.2 | ||||
| 543 | L | 33.1 | Very low | 31.6 | Very low | 142 Ų | 142 | 148.8 Ų | 148.8 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | 173.2 | 144.5 | 123.4 | -94.8 | 166.3 | 0 | 0 | 0 | 115.1 | |||||
| 544 | F | 33.1 | Very low | 31.8 | Very low | 184 Ų | 184 | 148.5 Ų | 148.5 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | 78.6 | 135.1 | 161.9 | -71.7 | -64 | 0 | 0 | 0 | 121.6 | ||||
| 545 | D | 30.9 | Very low | 31.8 | Very low | 148 Ų | 148 | 148.9 Ų | 148.9 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -112.6 | -168.8 | -166.5 | -54 | -95.8 | 0 | 0 | 0 | 113.1 | ||||
| 546 | D | 32.4 | Very low | 31.8 | Very low | 139 Ų | 139 | 149.2 Ų | 149.2 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | 87.6 | 150.9 | 156.6 | -75.9 | -30.1 | 0 | 0 | 0 | 122.1 | ||||
| 547 | Y | 30.6 | Very low | 31.8 | Very low | 208 Ų | 208 | 148.8 Ų | 148.8 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | trans | 66.8 | 108.4 | -174.3 | -74.5 | -92.2 | 0 | 0 | 0 | 116.3 | ||||
| 548 | I | 34.6 | Very low | 31.9 | Very low | 139 Ų | 139 | 155.1 Ų | 155.1 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | cis | 78 | 124.3 | 36.5 | -48.4 | 174.4 | 0 | 0 | 0 | 113.4 | ||||
| 549 | D | 27.6 | Very low | 31.9 | Very low | 127 Ų | 127 | 152.4 Ų | 152.4 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | trans | -58.8 | 150.2 | 176.3 | -173.4 | 41.3 | 0 | 0 | 0 | 112.4 | S551 | D549-S551 PolarHBondContact OD1-N 3.27Å; D549-S551 VanDerWaalsContact OD1-N 3.14Å; D549-S551 PolarHBondContact OD2-N 3.44Å | ||
| 550 | P | 31.6 | Very low | 31.9 | Very low | 109 Ų | 109 | 152.5 Ų | 152.5 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | -144.3 | 131.8 | 107.8 | 35.4 | -20.3 | 0 | 0 | 0 | 115.6 | |||||
| 551 | S | 28.7 | Very low | 31.8 | Very low | 89 Ų | 89 | 152 Ų | 152 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | trans | -66.9 | 154.9 | 142.9 | 62.5 | 0 | 0 | 0 | 0 | 111.2 | D549 | D549-S551 PolarHBondContact OD1-N 3.27Å; D549-S551 VanDerWaalsContact OD1-N 3.14Å; D549-S551 PolarHBondContact OD2-N 3.44Å | ||
| 552 | H | 32.1 | Very low | 31.8 | Very low | 165 Ų | 165 | 152.4 Ų | 152.4 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | 63.7 | 94.6 | -173.6 | -80.2 | -93.4 | 0 | 0 | 0 | 116.8 | ||||
| 553 | D | 30 | Very low | 31.6 | Very low | 143 Ų | 143 | 155.8 Ų | 155.8 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | 177.9 | 124.6 | 99.1 | -100.5 | -12.1 | 0 | 0 | 0 | 113.5 | |||||
| 554 | S | 32.6 | Very low | 31.6 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -159.3 | 33.8 | 162.9 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 555 | I | 31.3 | Very low | 31.6 | Very low | 153 Ų | 153 | 154.2 Ų | 154.2 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -77.8 | 136.3 | 162.2 | -61.2 | 176.9 | 0 | 0 | 0 | 108 | ||||
| 556 | K | 32 | Very low | 31.5 | Very low | 192 Ų | 192 | 153.9 Ų | 153.9 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | 80.4 | 80.2 | -170.1 | -54.1 | 173.5 | 179.4 | 171.4 | 0 | 115.6 | ||||
| 557 | L | 30.5 | Very low | 31.5 | Very low | 171 Ų | 171 | 155.7 Ų | 155.7 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | S | Bend | -153.5 | 160.7 | 112.2 | -132.6 | 72.2 | 0 | 0 | 0 | 110.2 | |||
| 558 | R | 29.3 | Very low | 31.6 | Very low | 232 Ų | 232 | 153.3 Ų | 153.3 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | trans | 64.3 | 47.7 | 177.3 | -154.5 | 175.7 | -67.1 | -129.5 | -1 | 116.3 | E560 | R558-E560 PolarHBondContact O-N 3.43Š| ||
| 559 | N | 31.3 | Very low | 31.5 | Very low | 165 Ų | 165 | 154.6 Ų | 154.6 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | -75.4 | 103.6 | 136.1 | -88.5 | -5.3 | 0 | 0 | 0 | 107.3 | ||||
| 560 | E | 33.3 | Very low | 31.5 | Very low | 176 Ų | 176 | 153 Ų | 153 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | 179.9 | 154.6 | 153.1 | -107.7 | 171.7 | -147.4 | 0 | 0 | 109.1 | R558 | R558-E560 PolarHBondContact O-N 3.43Š| ||
| 561 | L | 33.7 | Very low | 31.4 | Very low | 152 Ų | 152 | 154.7 Ų | 154.7 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 67.1 | 75.5 | -167 | -59.1 | 153.2 | 0 | 0 | 0 | 112.2 | ||
| 562 | N | 31.9 | Very low | 31.5 | Very low | 138 Ų | 138 | 157.7 Ų | 157.7 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | 68.1 | 102.3 | 91.6 | -64.5 | -22.1 | 0 | 0 | 0 | 112.6 | |||||
| 563 | H | 33.4 | Very low | 31.2 | Very low | 177 Ų | 177 | 159.2 Ų | 159.2 | 82% | 0.819 | 80% | 0.801 | S | S | * | * | 72.9 | 138.9 | 81.6 | -92.3 | -38.6 | 0 | 0 | 0 | 115 | |||||
| 564 | S | 33.3 | Very low | 31.3 | Very low | 103 Ų | 103 | 158.1 Ų | 158.1 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | 67.4 | 134.9 | -172.5 | 71.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 565 | H | 33.1 | Very low | 31.2 | Very low | 190 Ų | 190 | 159.7 Ų | 159.7 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | cis | -141.7 | 153.3 | -4.4 | -100.9 | -28 | 0 | 0 | 0 | 111.6 | ||||
| 566 | D | 29.1 | Very low | 31 | Very low | 141 Ų | 141 | 156.6 Ų | 156.6 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -87.8 | 169.1 | 168.1 | -88.8 | -65.4 | 0 | 0 | 0 | 112.5 | ||||
| 567 | H | 31.6 | Very low | 31.1 | Very low | 177 Ų | 177 | 153.3 Ų | 153.3 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | trans | 68.3 | 119.1 | 170.5 | -53.2 | -74 | 0 | 0 | 0 | 117.9 | ||||
| 568 | I | 32.3 | Very low | 30.9 | Very low | 159 Ų | 159 | 155.3 Ų | 155.3 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | -162.8 | 157.4 | 98.3 | -98.2 | 163.3 | 0 | 0 | 0 | 111.2 | |||||
| 569 | Q | 32.2 | Very low | 30.9 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -57.8 | 150.2 | -167 | -69.4 | 142.5 | -81.9 | 0 | 0 | 117.5 | ||||
| 570 | S | 27.7 | Very low | 30.8 | Very low | 92 Ų | 92 | 148.1 Ų | 148.1 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | -9.5 | 134 | 145.3 | 57.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 571 | N | 29.7 | Very low | 30.6 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | -172.4 | 161.8 | 113.5 | -103.5 | -42.3 | 0 | 0 | 0 | 115.3 | |||||
| 572 | L | 31.3 | Very low | 30.4 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | 60.1 | 118.7 | 162.6 | -90.6 | 71.8 | 0 | 0 | 0 | 120.7 | ||||
| 573 | Y | 26 | Very low | 30.4 | Very low | 197 Ų | 197 | 147.6 Ų | 147.6 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | -62.7 | 158.9 | 143.6 | -80.9 | -100 | 0 | 0 | 0 | 110.9 | ||||
| 574 | P | 32.7 | Very low | 30.3 | Very low | 120 Ų | 120 | 144 Ų | 144 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | trans | -118.4 | 159.4 | 130.2 | 34.8 | -31.3 | 0 | 0 | 0 | 113.2 | ||||
| 575 | I | 30 | Very low | 30 | Very low | 155 Ų | 155 | 146.7 Ų | 146.7 | 80% | 0.795 | 78% | 0.776 | S | S | * | * | trans | -117.3 | 137.6 | 178.2 | -66.3 | 166.6 | 0 | 0 | 0 | 107.9 | ||||
| 576 | S | 27.6 | Very low | 29.9 | Very low | 87 Ų | 87 | 145.1 Ų | 145.1 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | trans | 70.5 | 158 | -177.2 | -143.1 | 0 | 0 | 0 | 0 | 112.9 | Y578 | S576-Y578 PolarHBondContact OG-N 3.02Š| ||
| 577 | P | 32.3 | Very low | 29.9 | Very low | 123 Ų | 123 | 143.7 Ų | 143.7 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | -138.8 | 115.6 | 79.6 | 34.4 | -17.7 | 0 | 0 | 0 | 114.9 | |||||
| 578 | Y | 26.7 | Very low | 29.7 | Very low | 214 Ų | 214 | 141.7 Ų | 141.7 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | trans | -92 | 93.6 | 138.9 | -88.7 | -87.1 | 0 | 0 | 0 | 108.5 | S576 | S576-Y578 PolarHBondContact OG-N 3.02Š| ||
| 579 | L | 29.5 | Very low | 29.6 | Very low | 153 Ų | 153 | 145 Ų | 145 | 80% | 0.801 | 78% | 0.778 | S | S | * | * | trans | -175.6 | 153.5 | 141.8 | -125.3 | 70.8 | 0 | 0 | 0 | 112.4 | ||||
| 580 | S | 29.1 | Very low | 29.4 | Very low | 93 Ų | 93 | 141.4 Ų | 141.4 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | trans | 43.1 | 102.9 | 153.5 | 60 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 581 | S | 29.3 | Very low | 29.5 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | 46.8 | 126.6 | 126.1 | 62.4 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 582 | N | 30 | Very low | 29.4 | Very low | 152 Ų | 152 | 147.9 Ų | 147.9 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 54 | 103 | 145.4 | -56.5 | 6.8 | 0 | 0 | 0 | 117.8 | ||||
| 583 | E | 32.4 | Very low | 29.4 | Very low | 204 Ų | 204 | 147.8 Ų | 147.8 | 95% | 0.953 | 78% | 0.781 | S | S | * | * | -157.1 | 167.7 | 99.2 | -110.8 | 170 | -168.6 | 0 | 0 | 110.8 | |||||
| 584 | S | 29.6 | Very low | 29.8 | Very low | 100 Ų | 100 | 144.1 Ų | 144.1 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | -125.6 | 163.2 | -171.2 | 58.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 585 | L | 28.3 | Very low | 29.5 | Very low | 160 Ų | 160 | 148.6 Ų | 148.6 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | 78.8 | 150 | 165.9 | -70.7 | 159.9 | 0 | 0 | 0 | 119.1 | ||||
| 586 | I | 29.7 | Very low | 29.5 | Very low | 158 Ų | 158 | 149.8 Ų | 149.8 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | 69.7 | 87.5 | 169.3 | -51.9 | 151.8 | 0 | 0 | 0 | 116.3 | ||||
| 587 | S | 29.9 | Very low | 29.7 | Very low | 110 Ų | 110 | 154.7 Ų | 154.7 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | -170.8 | 112.7 | 99.4 | 33.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 588 | T | 27.3 | Very low | 29.7 | Very low | 136 Ų | 136 | 151.5 Ų | 151.5 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -88.4 | 118.5 | 174.3 | -44.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 589 | Y | 29.4 | Very low | 29.9 | Very low | 229 Ų | 229 | 148 Ų | 148 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | trans | -138.4 | 143.4 | 162.4 | -98.7 | -76.8 | 0 | 0 | 0 | 111.7 | ||||
| 590 | S | 29.4 | Very low | 30 | Very low | 89 Ų | 89 | 148.5 Ų | 148.5 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | trans | -87.5 | 150.6 | -160.2 | -48.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 591 | Y | 29 | Very low | 30.2 | Very low | 226 Ų | 226 | 152.9 Ų | 152.9 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | trans | -130.6 | 125.5 | 145.9 | -111.4 | -90 | 0 | 0 | 0 | 109.2 | ||||
| 592 | I | 28.7 | Very low | 30.3 | Very low | 148 Ų | 148 | 154.3 Ų | 154.3 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -123.4 | 125.3 | 176.4 | -62.7 | 172.4 | 0 | 0 | 0 | 106.7 | ||||
| 593 | I | 30.9 | Very low | 30.4 | Very low | 151 Ų | 151 | 158.1 Ų | 158.1 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | trans | -159.5 | 147.4 | 167.3 | -109.4 | 150.8 | 0 | 0 | 0 | 107.7 | ||||
| 594 | P | 34.1 | Very low | 30.7 | Very low | 120 Ų | 120 | 152.7 Ų | 152.7 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -90.4 | 162.7 | -135.1 | 32.3 | -37.5 | 0 | 0 | 0 | 117.5 | ||||
| 595 | Y | 26 | Very low | 30.9 | Very low | 214 Ų | 214 | 153 Ų | 153 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -102.5 | 71.8 | -168.3 | -165.5 | -88.9 | 0 | 0 | 0 | 111.6 | ||||
| 596 | E | 29.7 | Very low | 31.3 | Very low | 180 Ų | 180 | 151.3 Ų | 151.3 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | trans | -144.9 | 11.4 | -177.3 | -143.1 | 172.1 | -143.2 | 0 | 0 | 116.9 | ||||
| 597 | Q | 32.3 | Very low | 31.3 | Very low | 189 Ų | 189 | 148.9 Ų | 148.9 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -115.9 | -1.2 | 174.6 | -73.8 | -176 | -37.3 | 0 | 0 | 114.6 | ||
| 598 | S | 32 | Very low | 31.6 | Very low | 57 Ų | 57 | 150 Ų | 150 | 40% | 0.399 | 75% | 0.748 | S | S | . | * | G | 310 helix | trans | -80.6 | -15.1 | -174.7 | 47.2 | 0 | 0 | 0 | 0 | 115.3 | N600 | S598-N600 PolarHBondContact O-N 3.38Š|
| 599 | L | 31 | Very low | 31.9 | Very low | 140 Ų | 140 | 148 Ų | 148 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -77.3 | -19 | -170.8 | -82.6 | 163.1 | 0 | 0 | 0 | 115.3 | ||
| 600 | N | 31.3 | Very low | 32.2 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 87% | 0.872 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -92.7 | 3.6 | -176.5 | -82.5 | -13.1 | 0 | 0 | 0 | 115.3 | S598 | S598-N600 PolarHBondContact O-N 3.38Š|
| 601 | Q | 33.3 | Very low | 32.5 | Very low | 185 Ų | 185 | 146.6 Ų | 146.6 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -114.1 | 1 | 176.2 | -69.7 | -174.3 | -11.8 | 0 | 0 | 114.1 | R603 | Q601-R603 PolarHBondContact O-N 2.82Š|
| 602 | I | 31.6 | Very low | 33.1 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 66% | 0.662 | 70% | 0.704 | S | S | * | * | trans | -84 | 81.8 | -178.7 | -50.4 | 177.9 | 0 | 0 | 0 | 110.5 | ||||
| 603 | R | 32 | Very low | 33.6 | Very low | 233 Ų | 233 | 140.5 Ų | 140.5 | 88% | 0.879 | 70% | 0.701 | S | S | * | * | trans | -118.1 | 109 | 162.9 | -164 | -179.7 | -61 | -144.3 | 3.8 | 108.9 | Q601 | Q601-R603 PolarHBondContact O-N 2.82Š| ||
| 604 | P | 38.6 | Very low | 33.8 | Very low | 89 Ų | 89 | 141.5 Ų | 141.5 | 58% | 0.578 | 70% | 0.696 | S | S | * | * | trans | -75 | 150.2 | -167.2 | 29.3 | -35.6 | 0 | 0 | 0 | 112.9 | L606 | P604-L606 PolarHBondContact O-N 3.46Å; P604-L606 VanDerWaalsContact O-N 3.12Å | ||
| 605 | P | 35.4 | Very low | 33.9 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -1.7 | -179.9 | 30.1 | -36.3 | 0 | 0 | 0 | 114.7 | C607 Y608 | P605-C607 PolarHBondContact O-N 3.13Å; P605-Y608 PolarHBondContact O-N 3.04Å |
| 606 | L | 34.8 | Very low | 34.5 | Very low | 124 Ų | 124 | 140 Ų | 140 | 65% | 0.649 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -57.3 | -11.3 | -169.3 | -148 | 75.8 | 0 | 0 | 0 | 115.8 | P604 | P604-L606 PolarHBondContact O-N 3.46Å; P604-L606 VanDerWaalsContact O-N 3.12Å |
| 607 | C | 31.3 | Very low | 34.7 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 72% | 0.723 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -85.8 | -12.5 | 176.8 | -159.6 | 0 | 0 | 0 | 0 | 113.6 | P605 | P605-C607 PolarHBondContact O-N 3.13Å |
| 608 | Y | 36 | Very low | 35.1 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 53% | 0.529 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -84.2 | -45.7 | 178.9 | -158.8 | -90.3 | 0 | 0 | 0 | 111.5 | P605 L610 Y611 E612 | P605-Y608 PolarHBondContact O-N 3.04Å; Y608-L610 VanDerWaalsContact C-N 3.26Å; Y608-L610 PolarHBondContact O-N 2.6Å; Y608-Y611 WeakPolarHBondContact O-CB 3.5Å; Y608-Y611 PolarHBondContact O-N 3.27Å; Y608-E612 HydrophobicContact CE1-CG 4.29Å; Y608-E612 PolarHBondContact O-N 2.64Å |
| 609 | D | 33.1 | Very low | 35.3 | Very low | 93 Ų | 93 | 137 Ų | 137 | 50% | 0.497 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -65.9 | -28.1 | -178.1 | -54 | -42.9 | 0 | 0 | 0 | 112.8 | Y611 N613 | D609-Y611 VanDerWaalsContact C-N 3.29Å; D609-N613 PolarHBondContact O-ND2 3.24Å |
| 610 | L | 35 | Very low | 35.8 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 59% | 0.586 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -73 | -18.8 | 172.4 | -73.1 | 171.6 | 0 | 0 | 0 | 113.4 | Y608 | Y608-L610 VanDerWaalsContact C-N 3.26Å; Y608-L610 PolarHBondContact O-N 2.6Å |
| 611 | Y | 35.5 | Very low | 36.4 | Very low | 176 Ų | 176 | 132.8 Ų | 132.8 | 69% | 0.69 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -88.5 | -43 | -178.7 | -168.5 | -89.9 | 0 | 0 | 0 | 112 | Y608 D609 N613 Y614 | Y608-Y611 WeakPolarHBondContact O-CB 3.5Å; Y608-Y611 PolarHBondContact O-N 3.27Å; D609-Y611 VanDerWaalsContact C-N 3.29Å; Y611-N613 PolarHBondContact O-N 3.11Å; Y611-Y614 PolarHBondContact O-N 2.85Å |
| 612 | E | 42.3 | Very low | 36.6 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 54% | 0.542 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -64.2 | -36.8 | 175.8 | -85.1 | -75.8 | 125.1 | 0 | 0 | 112.7 | Y608 Y614 | Y608-E612 HydrophobicContact CE1-CG 4.29Å; Y608-E612 PolarHBondContact O-N 2.64Å; E612-Y614 VanDerWaalsContact C-N 3.3Å; E612-Y614 PolarHBondContact O-N 3.28Å |
| 613 | N | 38.6 | Very low | 37.2 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 70% | 0.701 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -11.8 | -177.1 | -79.1 | -72.1 | 0 | 0 | 0 | 114.6 | D609 Y611 | D609-N613 PolarHBondContact O-ND2 3.24Å; Y611-N613 PolarHBondContact O-N 3.11Å |
| 614 | Y | 36.2 | Very low | 37.9 | Very low | 171 Ų | 171 | 127.4 Ų | 127.4 | 67% | 0.671 | 63% | 0.632 | S | S | * | * | trans | -114.7 | 72.9 | 178.3 | -83.1 | -83 | 0 | 0 | 0 | 111.9 | Y611 E612 I616 | Y611-Y614 PolarHBondContact O-N 2.85Å; E612-Y614 VanDerWaalsContact C-N 3.3Å; E612-Y614 PolarHBondContact O-N 3.28Å; Y614-I616 PolarHBondContact O-N 3.32Å | ||
| 615 | K | 35.3 | Very low | 38.2 | Very low | 200 Ų | 200 | 127.7 Ų | 127.7 | 87% | 0.87 | 63% | 0.629 | S | S | * | * | trans | -68 | 74.6 | 163.1 | -82.7 | -174.7 | 174.7 | 173.3 | 0 | 111.3 | ||||
| 616 | I | 38.7 | Very low | 38.7 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 52% | 0.523 | 63% | 0.63 | S | S | . | * | trans | -73.1 | 130.7 | 165.6 | -60.7 | 174.5 | 0 | 0 | 0 | 107.7 | Y614 Q618 I621 | Y614-I616 PolarHBondContact O-N 3.32Å; I616-Q618 PolarHBondContact O-N 3.31Å; I616-I621 HydrophobicContact CB-CD1 4.37Å; I616-I621 HydrophobicContact CG2-CD1 4.01Å; I616-I621 HydrophobicContact CG2-CG1 3.88Å | ||
| 617 | D | 34.1 | Very low | 39.7 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 48% | 0.481 | 63% | 0.63 | S | S | . | * | trans | -62.1 | 124.6 | -178.4 | -168.2 | -28.9 | 0 | 0 | 0 | 110.3 | N619 Q620 | D617-N619 PolarHBondContact O-N 3.33Å; D617-N619 PolarHBondContact OD1-N 3.23Å; D617-N619 VanDerWaalsContact OD1-N 3.08Å; D617-N619 PolarHBondContact OD1-ND2 3.2Å; D617-N619 VanDerWaalsContact OD1-ND2 3.1Å; D617-Q620 PolarHBondContact O-N 3.18Å | ||
| 618 | Q | 41.2 | Very low | 41.2 | Very low | 147 Ų | 147 | 127.6 Ų | 127.6 | 69% | 0.687 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56 | -23 | -178 | -74.3 | -87.6 | -55.4 | 0 | 0 | 112.7 | I616 | I616-Q618 PolarHBondContact O-N 3.31Š|
| 619 | N | 36.7 | Very low | 42.5 | Very low | 126 Ų | 126 | 124.3 Ų | 124.3 | 67% | 0.674 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -15.1 | 177.9 | -62.5 | -64.4 | 0 | 0 | 0 | 114.5 | D617 | D617-N619 PolarHBondContact O-N 3.33Å; D617-N619 PolarHBondContact OD1-N 3.23Å; D617-N619 VanDerWaalsContact OD1-N 3.08Å; D617-N619 PolarHBondContact OD1-ND2 3.2Å; D617-N619 VanDerWaalsContact OD1-ND2 3.1Å |
| 620 | Q | 40.5 | Very low | 43.8 | Very low | 137 Ų | 137 | 126.1 Ų | 126.1 | 64% | 0.64 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -10.6 | 176.2 | -66.1 | -170.7 | 0 | 0 | 0 | 113.6 | D617 K622 | D617-Q620 PolarHBondContact O-N 3.18Å; Q620-K622 VanDerWaalsContact C-N 3.31Å; Q620-K622 PolarHBondContact O-N 3.16Å |
| 621 | I | 44.8 | Very low | 45.5 | Very low | 79 Ų | 79 | 126.4 Ų | 126.4 | 41% | 0.405 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -79.7 | -13.1 | -173.5 | -62.3 | 176.3 | 0 | 0 | 0 | 112.3 | I616 D623 | I616-I621 HydrophobicContact CB-CD1 4.37Å; I616-I621 HydrophobicContact CG2-CD1 4.01Å; I616-I621 HydrophobicContact CG2-CG1 3.88Å; I621-D623 VanDerWaalsContact C-N 3.35Å; I621-D623 PolarHBondContact O-N 3.3Å |
| 622 | K | 37.6 | Very low | 46.8 | Very low | 181 Ų | 181 | 123.7 Ų | 123.7 | 79% | 0.787 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -71.5 | -21.7 | -177.6 | -74.5 | -176.2 | 175.2 | 177 | 0 | 115.2 | Q620 | Q620-K622 VanDerWaalsContact C-N 3.31Å; Q620-K622 PolarHBondContact O-N 3.16Å |
| 623 | D | 44.2 | Very low | 48.1 | Very low | 150 Ų | 150 | 122.4 Ų | 122.4 | 80% | 0.802 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -104.8 | 4.5 | -174.6 | -61.5 | -49.3 | 0 | 0 | 0 | 113.9 | I621 | I621-D623 VanDerWaalsContact C-N 3.35Å; I621-D623 PolarHBondContact O-N 3.3Å |
| 624 | L | 45 | Very low | 49.6 | Very low | 103 Ų | 103 | 118.6 Ų | 118.6 | 54% | 0.539 | 58% | 0.578 | S | S | . | * | trans | -97.7 | 113.2 | -178.9 | -110.9 | 68.8 | 0 | 0 | 0 | 112.7 | L626 I629 | L624-L626 PolarHBondContact O-N 3.17Å; L624-I629 HydrophobicContact CB-CD1 4.42Å; L624-I629 HydrophobicContact CD2-CG1 4.34Å | ||
| 625 | N | 46.3 | Very low | 51.3 | Low | 95 Ų | 95 | 116 Ų | 116 | 51% | 0.508 | 57% | 0.572 | S | S | . | * | trans | -58.5 | 132.4 | 172.7 | -178.5 | -7.3 | 0 | 0 | 0 | 111.2 | Q627 T628 | N625-Q627 PolarHBondContact O-N 3Å; N625-Q627 VanDerWaalsContact O-N 3.11Å; N625-Q627 PolarHBondContact OD1-N 2.86Å; N625-Q627 VanDerWaalsContact OD1-N 3.16Å; N625-T628 WeakPolarHBondContact O-CB 3.3Å; N625-T628 PolarHBondContact O-N 3.18Å; N625-T628 PolarHBondContact O-OG1 3.33Å | ||
| 626 | L | 45.7 | Very low | 52.6 | Low | 139 Ų | 139 | 111.6 Ų | 111.6 | 73% | 0.728 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -52.9 | -32.8 | -179.5 | -168.5 | 67.6 | 0 | 0 | 0 | 113.3 | L624 T628 I629 H630 | L624-L626 PolarHBondContact O-N 3.17Å; L626-T628 VanDerWaalsContact C-N 3.35Å; L626-T628 PolarHBondContact O-N 3.48Å; L626-I629 PolarHBondContact O-N 3.08Å; L626-H630 PolarHBondContact O-N 3.09Å; L626-H630 VanDerWaalsContact O-N 3.09Å |
| 627 | Q | 56 | Low | 53.9 | Low | 137 Ų | 137 | 111.5 Ų | 111.5 | 64% | 0.64 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.6 | -38.7 | 174.7 | -85.4 | 177 | -36.9 | 0 | 0 | 113.1 | N625 H630 Q631 | N625-Q627 PolarHBondContact O-N 3Å; N625-Q627 VanDerWaalsContact O-N 3.11Å; N625-Q627 PolarHBondContact OD1-N 2.86Å; N625-Q627 VanDerWaalsContact OD1-N 3.16Å; Q627-H630 PolarHBondContact O-N 3.17Å; Q627-Q631 WeakPolarHBondContact O-CG 3.32Å; Q627-Q631 PolarHBondContact O-N 2.73Å |
| 628 | T | 61.3 | Low | 55.4 | Low | 59 Ų | 59 | 113 Ų | 113 | 36% | 0.362 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.6 | -40.3 | -179.3 | -44.9 | 0 | 0 | 0 | 0 | 111 | N625 L626 Q631 H632 | N625-T628 WeakPolarHBondContact O-CB 3.3Å; N625-T628 PolarHBondContact O-N 3.18Å; N625-T628 PolarHBondContact O-OG1 3.33Å; L626-T628 VanDerWaalsContact C-N 3.35Å; L626-T628 PolarHBondContact O-N 3.48Å; T628-Q631 PolarHBondContact O-N 3.05Å; T628-H632 PolarHBondContact O-N 2.93Å |
| 629 | I | 63.4 | Low | 56.5 | Low | 66 Ų | 66 | 109.6 Ų | 109.6 | 34% | 0.338 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.1 | -46.3 | 175 | -60.7 | 174.1 | 0 | 0 | 0 | 110 | L624 L626 Q631 H632 I633 | L624-I629 HydrophobicContact CB-CD1 4.42Å; L624-I629 HydrophobicContact CD2-CG1 4.34Å; L626-I629 PolarHBondContact O-N 3.08Å; I629-Q631 VanDerWaalsContact C-N 3.34Å; I629-Q631 PolarHBondContact O-N 3.11Å; I629-H632 PolarHBondContact O-N 3.06Å; I629-I633 HydrophobicContact CG2-CD1 3.86Å; I629-I633 WeakPolarHBondContact O-CG1 3.22Å; I629-I633 PolarHBondContact O-N 3.45Å |
| 630 | H | 61.1 | Low | 57 | Low | 131 Ų | 131 | 107.9 Ų | 107.9 | 61% | 0.606 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.2 | -37.9 | 178.6 | -164.9 | -109 | 0 | 0 | 0 | 112.6 | L626 Q627 T634 | L626-H630 PolarHBondContact O-N 3.09Å; L626-H630 VanDerWaalsContact O-N 3.09Å; Q627-H630 PolarHBondContact O-N 3.17Å; H630-T634 WeakPolarHBondContact O-CB 3.3Å; H630-T634 PolarHBondContact O-N 3.06Å; H630-T634 PolarHBondContact O-OG1 2.95Å |
| 631 | Q | 70.1 | Confident | 57.4 | Low | 119 Ų | 119 | 109 Ų | 109 | 56% | 0.556 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.3 | -46.5 | 174.3 | -75.5 | 177.6 | -9.9 | 0 | 0 | 112.4 | Q627 T628 I629 T634 Q635 | Q627-Q631 WeakPolarHBondContact O-CG 3.32Å; Q627-Q631 PolarHBondContact O-N 2.73Å; T628-Q631 PolarHBondContact O-N 3.05Å; I629-Q631 VanDerWaalsContact C-N 3.34Å; I629-Q631 PolarHBondContact O-N 3.11Å; Q631-T634 PolarHBondContact O-N 3.33Å; Q631-Q635 WeakPolarHBondContact O-CG 3.25Å; Q631-Q635 PolarHBondContact O-N 3.13Å |
| 632 | H | 64.4 | Low | 57.8 | Low | 118 Ų | 118 | 112.4 Ų | 112.4 | 55% | 0.546 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.6 | -45.1 | 177.8 | -93.9 | -104.4 | 0 | 0 | 0 | 112.6 | T628 I629 T634 Q635 L636 | T628-H632 PolarHBondContact O-N 2.93Å; I629-H632 PolarHBondContact O-N 3.06Å; H632-T634 VanDerWaalsContact C-N 3.33Å; H632-T634 PolarHBondContact O-N 3.37Å; H632-Q635 PolarHBondContact O-N 2.02Å; H632-L636 WeakPolarHBondContact O-CG 3.41Å; H632-L636 PolarHBondContact O-N 2.94Å |
| 633 | I | 69.1 | Low | 58.3 | Low | 89 Ų | 89 | 107.4 Ų | 107.4 | 46% | 0.456 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 176.2 | -67.5 | 170.6 | 0 | 0 | 0 | 110.4 | I629 Q635 L636 I637 | I629-I633 HydrophobicContact CG2-CD1 3.86Å; I629-I633 WeakPolarHBondContact O-CG1 3.22Å; I629-I633 PolarHBondContact O-N 3.45Å; I633-Q635 PolarHBondContact O-N 3.08Å; I633-L636 PolarHBondContact O-N 3.31Å; I633-I637 HydrophobicContact CG2-CD1 3.74Å; I633-I637 HydrophobicContact CG2-CG1 4.43Å; I633-I637 WeakPolarHBondContact O-CG1 3.19Å; I633-I637 PolarHBondContact O-N 3.48Å |
| 634 | T | 70.8 | Confident | 58.2 | Low | 51 Ų | 51 | 104.8 Ų | 104.8 | 31% | 0.313 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 177.4 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | H630 Q631 H632 I637 Q638 | H630-T634 WeakPolarHBondContact O-CB 3.3Å; H630-T634 PolarHBondContact O-N 3.06Å; H630-T634 PolarHBondContact O-OG1 2.95Å; Q631-T634 PolarHBondContact O-N 3.33Å; H632-T634 VanDerWaalsContact C-N 3.33Å; H632-T634 PolarHBondContact O-N 3.37Å; T634-I637 PolarHBondContact O-N 3.37Å; T634-Q638 HydrophobicContact CG2-CG 4.5Å; T634-Q638 WeakPolarHBondContact O-CB 3.37Å; T634-Q638 VanDerWaalsContact O-CG 3.3Å; T634-Q638 WeakPolarHBondContact O-CG 3.07Å; T634-Q638 PolarHBondContact O-N 3.48Å |
| 635 | Q | 70 | Confident | 58.1 | Low | 117 Ų | 117 | 103.6 Ų | 103.6 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 178 | -73.3 | -178.2 | -0.6 | 0 | 0 | 112.7 | Q631 H632 I633 Q638 T639 | Q631-Q635 WeakPolarHBondContact O-CG 3.25Å; Q631-Q635 PolarHBondContact O-N 3.13Å; H632-Q635 PolarHBondContact O-N 2.02Å; I633-Q635 PolarHBondContact O-N 3.08Å; Q635-Q638 PolarHBondContact O-N 2.83Å; Q635-T639 WeakPolarHBondContact O-CB 3.32Å; Q635-T639 PolarHBondContact O-N 3.48Å; Q635-T639 PolarHBondContact O-OG1 3.35Å |
| 636 | L | 64.3 | Low | 58 | Low | 108 Ų | 108 | 103 Ų | 103 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.9 | -42.4 | 176.4 | -74.6 | 167.5 | 0 | 0 | 0 | 112 | H632 I633 T639 N640 | H632-L636 WeakPolarHBondContact O-CG 3.41Å; H632-L636 PolarHBondContact O-N 2.94Å; I633-L636 PolarHBondContact O-N 3.31Å; L636-T639 PolarHBondContact O-N 3.07Å; L636-N640 PolarHBondContact O-N 3.1Å; L636-N640 PolarHBondContact O-ND2 2.89Å |
| 637 | I | 65.6 | Low | 57.8 | Low | 99 Ų | 99 | 101.1 Ų | 101.1 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 174.6 | -68.6 | 169.5 | 0 | 0 | 0 | 110.3 | I633 T634 T639 N640 Y641 | I633-I637 HydrophobicContact CG2-CD1 3.74Å; I633-I637 HydrophobicContact CG2-CG1 4.43Å; I633-I637 WeakPolarHBondContact O-CG1 3.19Å; I633-I637 PolarHBondContact O-N 3.48Å; T634-I637 PolarHBondContact O-N 3.37Å; I637-T639 VanDerWaalsContact C-N 3.33Å; I637-T639 PolarHBondContact O-N 2.93Å; I637-N640 PolarHBondContact O-N 3.1Å; I637-Y641 WeakPolarHBondContact O-CB 3.2Å; I637-Y641 PolarHBondContact O-N 3.35Å |
| 638 | Q | 66.3 | Low | 57.1 | Low | 123 Ų | 123 | 99.1 Ų | 99.1 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.3 | -40.6 | 178.1 | -74.9 | 177 | -1.9 | 0 | 0 | 112.5 | T634 Q635 Y641 K642 | T634-Q638 HydrophobicContact CG2-CG 4.5Å; T634-Q638 WeakPolarHBondContact O-CB 3.37Å; T634-Q638 VanDerWaalsContact O-CG 3.3Å; T634-Q638 WeakPolarHBondContact O-CG 3.07Å; T634-Q638 PolarHBondContact O-N 3.48Å; Q635-Q638 PolarHBondContact O-N 2.83Å; Q638-Y641 PolarHBondContact O-N 3.34Å; Q638-K642 WeakPolarHBondContact O-CB 3.36Å; Q638-K642 PolarHBondContact O-N 3.04Å |
| 639 | T | 63.1 | Low | 56 | Low | 75 Ų | 75 | 101.4 Ų | 101.4 | 46% | 0.46 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -45.5 | 179.2 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | Q635 L636 I637 K642 N643 | Q635-T639 WeakPolarHBondContact O-CB 3.32Å; Q635-T639 PolarHBondContact O-N 3.48Å; Q635-T639 PolarHBondContact O-OG1 3.35Å; L636-T639 PolarHBondContact O-N 3.07Å; I637-T639 VanDerWaalsContact C-N 3.33Å; I637-T639 PolarHBondContact O-N 2.93Å; T639-K642 PolarHBondContact O-N 3.06Å; T639-N643 PolarHBondContact O-N 2.99Å |
| 640 | N | 48.3 | Very low | 54.8 | Low | 90 Ų | 90 | 103.9 Ų | 103.9 | 48% | 0.481 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.9 | -38 | 176.7 | -77.5 | -37.7 | 0 | 0 | 0 | 112.7 | L636 I637 K642 N643 N644 | L636-N640 PolarHBondContact O-N 3.1Å; L636-N640 PolarHBondContact O-ND2 2.89Å; I637-N640 PolarHBondContact O-N 3.1Å; N640-K642 VanDerWaalsContact C-N 3.34Å; N640-K642 PolarHBondContact O-N 2.93Å; N640-N643 PolarHBondContact O-N 2.78Å; N640-N644 WeakPolarHBondContact O-CB 3.43Å; N640-N644 PolarHBondContact O-N 2.03Å |
| 641 | Y | 47.6 | Very low | 53.5 | Low | 161 Ų | 161 | 101.3 Ų | 101.3 | 63% | 0.631 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.2 | -40.1 | 173.4 | -122.9 | -81.1 | 0 | 0 | 0 | 112 | I637 Q638 N645 | I637-Y641 WeakPolarHBondContact O-CB 3.2Å; I637-Y641 PolarHBondContact O-N 3.35Å; Q638-Y641 PolarHBondContact O-N 3.34Å; Y641-N645 WeakPolarHBondContact O-CB 3.49Å; Y641-N645 PolarHBondContact O-N 3.07Å |
| 642 | K | 52.9 | Low | 51.9 | Low | 149 Ų | 149 | 101.7 Ų | 101.7 | 65% | 0.648 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.2 | -43.7 | 178.2 | -157.2 | 171.8 | -171.7 | 178.4 | 0 | 111.5 | Q638 T639 N640 N645 I646 | Q638-K642 WeakPolarHBondContact O-CB 3.36Å; Q638-K642 PolarHBondContact O-N 3.04Å; T639-K642 PolarHBondContact O-N 3.06Å; N640-K642 VanDerWaalsContact C-N 3.34Å; N640-K642 PolarHBondContact O-N 2.93Å; K642-N645 PolarHBondContact O-N 3.48Å; K642-I646 HydrophobicContact CG-CD1 4.24Å; K642-I646 WeakPolarHBondContact O-CB 3.41Å; K642-I646 WeakPolarHBondContact O-CD1 3.33Å; K642-I646 VanDerWaalsContact O-CG1 3.24Å; K642-I646 WeakPolarHBondContact O-CG1 3.36Å; K642-I646 PolarHBondContact O-N 2.89Å |
| 643 | N | 48 | Very low | 50.4 | Low | 77 Ų | 77 | 103 Ų | 103 | 41% | 0.412 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 176.8 | -70.4 | -10.5 | 0 | 0 | 0 | 112.2 | T639 N640 I646 N647 | T639-N643 PolarHBondContact O-N 2.99Å; N640-N643 PolarHBondContact O-N 2.78Å; N643-I646 PolarHBondContact O-N 2.87Å; N643-N647 WeakPolarHBondContact O-CB 3.36Å; N643-N647 VanDerWaalsContact O-CG 3.3Å; N643-N647 PolarHBondContact O-N 3.03Å; N643-N647 PolarHBondContact O-ND2 3.32Å |
| 644 | N | 43 | Very low | 48.6 | Very low | 95 Ų | 95 | 103.7 Ų | 103.7 | 51% | 0.508 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68 | -36.5 | 177.9 | -75.7 | -13.9 | 0 | 0 | 0 | 112.7 | N640 N647 N648 | N640-N644 WeakPolarHBondContact O-CB 3.43Å; N640-N644 PolarHBondContact O-N 2.03Å; N644-N647 PolarHBondContact O-N 2.88Å; N644-N648 WeakPolarHBondContact O-CB 3.32Å; N644-N648 PolarHBondContact O-N 3.46Å |
| 645 | N | 43.2 | Very low | 46.7 | Very low | 78 Ų | 78 | 108.9 Ų | 108.9 | 42% | 0.417 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72.3 | -31 | 174.3 | -76.7 | -4.8 | 0 | 0 | 0 | 112.9 | Y641 K642 N649 | Y641-N645 WeakPolarHBondContact O-CB 3.49Å; Y641-N645 PolarHBondContact O-N 3.07Å; K642-N645 PolarHBondContact O-N 3.48Å; N645-N649 VanDerWaalsContact O-CB 3.24Å; N645-N649 WeakPolarHBondContact O-CB 3.38Å; N645-N649 PolarHBondContact O-N 2.97Å; N645-N649 PolarHBondContact O-ND2 2.94Å |
| 646 | I | 44.7 | Very low | 45 | Very low | 81 Ų | 81 | 110.6 Ų | 110.6 | 42% | 0.415 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.2 | -44.7 | 170.1 | -72.3 | 164.4 | 0 | 0 | 0 | 110.2 | K642 N643 N649 N650 | K642-I646 HydrophobicContact CG-CD1 4.24Å; K642-I646 WeakPolarHBondContact O-CB 3.41Å; K642-I646 WeakPolarHBondContact O-CD1 3.33Å; K642-I646 VanDerWaalsContact O-CG1 3.24Å; K642-I646 WeakPolarHBondContact O-CG1 3.36Å; K642-I646 PolarHBondContact O-N 2.89Å; N643-I646 PolarHBondContact O-N 2.87Å; I646-N649 PolarHBondContact O-N 3.36Å; I646-N650 WeakPolarHBondContact O-CB 3.29Å; I646-N650 VanDerWaalsContact O-CG 3.23Å; I646-N650 PolarHBondContact O-N 2.96Å; I646-N650 PolarHBondContact O-ND2 3.5Å |
| 647 | N | 41.2 | Very low | 43.7 | Very low | 101 Ų | 101 | 112.2 Ų | 112.2 | 54% | 0.54 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.8 | -35.4 | 178.8 | -69.7 | -17.2 | 0 | 0 | 0 | 113.1 | N643 N644 S651 | N643-N647 WeakPolarHBondContact O-CB 3.36Å; N643-N647 VanDerWaalsContact O-CG 3.3Å; N643-N647 PolarHBondContact O-N 3.03Å; N643-N647 PolarHBondContact O-ND2 3.32Å; N644-N647 PolarHBondContact O-N 2.88Å; N647-S651 PolarHBondContact O-N 3.38Å; N647-S651 PolarHBondContact O-OG 2.93Å |
| 648 | N | 39.9 | Very low | 42.3 | Very low | 94 Ų | 94 | 114.1 Ų | 114.1 | 50% | 0.503 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -80.2 | -25.2 | 177.1 | -75.5 | -17.7 | 0 | 0 | 0 | 114 | N644 S651 N652 | N644-N648 WeakPolarHBondContact O-CB 3.32Å; N644-N648 PolarHBondContact O-N 3.46Å; N648-S651 PolarHBondContact O-OG 3.5Å; N648-S651 VanDerWaalsContact O-OG 3.1Å; N648-N652 PolarHBondContact O-ND2 2.95Å |
| 649 | N | 39.5 | Very low | 40.7 | Very low | 108 Ų | 108 | 113 Ų | 113 | 58% | 0.578 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -83.1 | -27.4 | 174.2 | -70.5 | -10.9 | 0 | 0 | 0 | 112.2 | N645 I646 S651 | N645-N649 VanDerWaalsContact O-CB 3.24Å; N645-N649 WeakPolarHBondContact O-CB 3.38Å; N645-N649 PolarHBondContact O-N 2.97Å; N645-N649 PolarHBondContact O-ND2 2.94Å; I646-N649 PolarHBondContact O-N 3.36Å; N649-S651 VanDerWaalsContact C-N 3.32Å |
| 650 | N | 37.4 | Very low | 39.4 | Very low | 117 Ų | 117 | 116.8 Ų | 116.8 | 63% | 0.626 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -11.4 | 174.1 | -70.9 | -12.3 | 0 | 0 | 0 | 113.8 | I646 | I646-N650 WeakPolarHBondContact O-CB 3.29Å; I646-N650 VanDerWaalsContact O-CG 3.23Å; I646-N650 PolarHBondContact O-N 2.96Å; I646-N650 PolarHBondContact O-ND2 3.5Å |
| 651 | S | 35.2 | Very low | 38.8 | Very low | 78 Ų | 78 | 118.5 Ų | 118.5 | 55% | 0.545 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.8 | -0.8 | 179.2 | 61 | 0 | 0 | 0 | 0 | 114.8 | N647 N648 N649 | N647-S651 PolarHBondContact O-N 3.38Å; N647-S651 PolarHBondContact O-OG 2.93Å; N648-S651 PolarHBondContact O-OG 3.5Å; N648-S651 VanDerWaalsContact O-OG 3.1Å; N649-S651 VanDerWaalsContact C-N 3.32Å |
| 652 | N | 35.2 | Very low | 38.1 | Very low | 126 Ų | 126 | 116.8 Ų | 116.8 | 67% | 0.674 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -119.1 | 9.4 | -173.2 | -76.7 | -65.2 | 0 | 0 | 0 | 115.1 | N648 | N648-N652 PolarHBondContact O-ND2 2.95Š|
| 653 | N | 33.4 | Very low | 37.1 | Very low | 146 Ų | 146 | 116.4 Ų | 116.4 | 78% | 0.781 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -134.1 | 44 | -173.5 | -85.6 | -37.5 | 0 | 0 | 0 | 114 | ||
| 654 | S | 31.3 | Very low | 36.4 | Very low | 104 Ų | 104 | 117.5 Ų | 117.5 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | trans | -143.4 | 37.1 | -175.2 | -57.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 655 | N | 31.1 | Very low | 35.8 | Very low | 160 Ų | 160 | 119.6 Ų | 119.6 | 86% | 0.856 | 66% | 0.658 | S | S | * | * | trans | -128.8 | 82.3 | 174.9 | -88.6 | -18.9 | 0 | 0 | 0 | 110.9 | ||||
| 656 | D | 34.2 | Very low | 35.3 | Very low | 153 Ų | 153 | 123.7 Ų | 123.7 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | trans | -170.7 | 154.2 | 161.1 | -100.2 | -32.3 | 0 | 0 | 0 | 111.6 | ||||
| 657 | N | 37 | Very low | 34.6 | Very low | 142 Ų | 142 | 126.8 Ų | 126.8 | 76% | 0.759 | 69% | 0.689 | S | S | * | * | trans | 74.6 | 74.6 | 162 | -57.1 | -46.2 | 0 | 0 | 0 | 122.2 | ||||
| 658 | N | 35 | Very low | 34.1 | Very low | 138 Ų | 138 | 126 Ų | 126 | 74% | 0.738 | 69% | 0.692 | S | S | * | * | 32.9 | 124 | 124.3 | -67.2 | -16.6 | 0 | 0 | 0 | 125.5 | |||||
| 659 | I | 32.7 | Very low | 33.7 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 51% | 0.513 | 70% | 0.704 | S | S | . | * | 51.6 | 127 | 124.9 | -39.2 | 178.5 | 0 | 0 | 0 | 121.7 | |||||
| 660 | I | 35.9 | Very low | 33.4 | Very low | 155 Ų | 155 | 130.1 Ų | 130.1 | 80% | 0.795 | 71% | 0.714 | S | S | * | * | 173.9 | 117.1 | 123.2 | -87.6 | 169.3 | 0 | 0 | 0 | 113.5 | |||||
| 661 | D | 35.9 | Very low | 33.1 | Very low | 126 Ų | 126 | 128.3 Ų | 128.3 | 67% | 0.674 | 71% | 0.71 | S | S | * | * | trans | 44.5 | 117.8 | 141.9 | -69 | 20.8 | 0 | 0 | 0 | 127.5 | ||||
| 662 | N | 34 | Very low | 33 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 67% | 0.668 | 72% | 0.72 | S | S | * | * | 75.2 | 131.3 | 117.6 | -70.5 | -47.7 | 0 | 0 | 0 | 125.5 | |||||
| 663 | N | 31.4 | Very low | 32.9 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | trans | 75.8 | 102.4 | 137.6 | -75.5 | -31.7 | 0 | 0 | 0 | 122.7 | ||||
| 664 | S | 33.4 | Very low | 32.7 | Very low | 100 Ų | 100 | 130 Ų | 130 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | 128.7 | 129.8 | 99 | 72.6 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 665 | N | 30.1 | Very low | 32.8 | Very low | 138 Ų | 138 | 133 Ų | 133 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | trans | 73.1 | 129.7 | 136.1 | -85.1 | -41.7 | 0 | 0 | 0 | 124.4 | ||||
| 666 | K | 32.5 | Very low | 32.8 | Very low | 165 Ų | 165 | 128.6 Ų | 128.6 | 72% | 0.717 | 72% | 0.72 | S | S | * | * | trans | 83.4 | 120.3 | 137.3 | -73.5 | 173.8 | -179.7 | 176.8 | 0 | 121.7 | ||||
| 667 | N | 31.1 | Very low | 32.9 | Very low | 145 Ų | 145 | 127.9 Ų | 127.9 | 78% | 0.775 | 72% | 0.715 | S | S | * | * | 71.2 | 152.8 | 127.9 | -64.2 | 14 | 0 | 0 | 0 | 119.7 | |||||
| 668 | S | 30.3 | Very low | 32.8 | Very low | 84 Ų | 84 | 127.6 Ų | 127.6 | 59% | 0.587 | 71% | 0.714 | S | S | * | * | cis | -174.6 | 147 | -22 | 54.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 669 | N | 31 | Very low | 32.7 | Very low | 141 Ų | 141 | 127.2 Ų | 127.2 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | trans | 71.4 | 156 | 147 | -61.9 | -6.3 | 0 | 0 | 0 | 122 | ||||
| 670 | N | 33.3 | Very low | 32.7 | Very low | 148 Ų | 148 | 128.4 Ų | 128.4 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | trans | 78.3 | 145.9 | 155 | -67 | -6.1 | 0 | 0 | 0 | 120.8 | ||||
| 671 | S | 30.6 | Very low | 32.6 | Very low | 79 Ų | 79 | 127 Ų | 127 | 55% | 0.552 | 71% | 0.712 | S | S | * | * | cis | 179.1 | 148.6 | -30.5 | 50 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 672 | N | 32.7 | Very low | 32.4 | Very low | 140 Ų | 140 | 127.1 Ų | 127.1 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | trans | 67.9 | 164.1 | 163.8 | -46.1 | -32.7 | 0 | 0 | 0 | 115.1 | ||||
| 673 | S | 33.4 | Very low | 32.3 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | cis | -162.2 | 166.8 | 4.2 | 2.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 674 | I | 30.4 | Very low | 32.2 | Very low | 136 Ų | 136 | 126 Ų | 126 | 70% | 0.697 | 71% | 0.711 | S | S | * | * | cis | 167.2 | 146.9 | -18.8 | -101.9 | 167.3 | 0 | 0 | 0 | 106.1 | ||||
| 675 | I | 32.1 | Very low | 32 | Very low | 167 Ų | 167 | 128.2 Ų | 128.2 | 86% | 0.856 | 72% | 0.715 | S | S | * | * | trans | 72.8 | 146.2 | 168.4 | -75 | 159.8 | 0 | 0 | 0 | 119 | ||||
| 676 | G | 32.9 | Very low | 32.1 | Very low | 69 Ų | 69 | 126.5 Ų | 126.5 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | trans | -167.3 | -56.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 677 | N | 35.3 | Very low | 31.9 | Very low | 137 Ų | 137 | 125.7 Ų | 125.7 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | trans | 65.7 | 133.3 | 173.1 | -84.4 | 1.4 | 0 | 0 | 0 | 121.2 | ||||
| 678 | N | 35.2 | Very low | 31.9 | Very low | 136 Ų | 136 | 126.5 Ų | 126.5 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | 69.4 | 145.9 | 135.2 | -66.4 | -9.2 | 0 | 0 | 0 | 121.6 | ||||
| 679 | N | 32.4 | Very low | 31.6 | Very low | 130 Ų | 130 | 132.4 Ų | 132.4 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | cis | -169.3 | 170.8 | -23.4 | -143.9 | -12.9 | 0 | 0 | 0 | 111.7 | ||||
| 680 | I | 32.8 | Very low | 31.6 | Very low | 126 Ų | 126 | 131 Ų | 131 | 65% | 0.646 | 73% | 0.73 | S | S | * | * | trans | 76.5 | 108.8 | 146.8 | -75.3 | 162.8 | 0 | 0 | 0 | 121.4 | ||||
| 681 | N | 33.4 | Very low | 31.4 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | trans | 74.4 | 110.6 | 130.8 | -64 | 8 | 0 | 0 | 0 | 125.3 | ||||
| 682 | N | 31.5 | Very low | 31.5 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 69% | 0.69 | 73% | 0.733 | S | S | * | * | 93.5 | 132.7 | 113.9 | -68 | 0.9 | 0 | 0 | 0 | 123.6 | |||||
| 683 | N | 32.1 | Very low | 31.4 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | trans | 87.9 | 95.9 | 140.7 | -72 | 9.4 | 0 | 0 | 0 | 122.2 | ||||
| 684 | T | 30.2 | Very low | 31.3 | Very low | 112 Ų | 112 | 134 Ų | 134 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | 76.9 | 119.8 | 123.1 | 56.2 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 685 | N | 29.7 | Very low | 31.4 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | trans | 95.6 | 144.8 | 134.4 | -67.8 | -4.4 | 0 | 0 | 0 | 121.5 | ||||
| 686 | S | 30.2 | Very low | 31.3 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | trans | 63.4 | 100.3 | 162.5 | 44.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 687 | N | 28.6 | Very low | 31.2 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | 34.5 | 113 | 122.5 | -50.5 | -2 | 0 | 0 | 0 | 118 | |||||
| 688 | N | 30.7 | Very low | 31.1 | Very low | 161 Ų | 161 | 136 Ų | 136 | 86% | 0.861 | 73% | 0.727 | S | S | * | * | -167.8 | 175.4 | 105.7 | -99.3 | -28.2 | 0 | 0 | 0 | 114.3 | |||||
| 689 | Y | 26.1 | Very low | 30.8 | Very low | 208 Ų | 208 | 135.7 Ų | 135.7 | 82% | 0.816 | 72% | 0.724 | S | S | * | * | trans | -68.7 | 173.1 | -166.9 | -93.9 | -102.6 | 0 | 0 | 0 | 117.8 | ||||
| 690 | T | 29.2 | Very low | 30.7 | Very low | 113 Ų | 113 | 136 Ų | 136 | 69% | 0.693 | 73% | 0.726 | S | S | * | * | trans | 83 | 124.8 | 149.2 | 35.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 691 | N | 29.2 | Very low | 30.5 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | trans | 52.2 | 126.6 | 141.5 | -57.5 | -3.1 | 0 | 0 | 0 | 119.7 | ||||
| 692 | N | 32.7 | Very low | 30.4 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | -163.9 | 129.5 | 74.9 | -95.5 | -59 | 0 | 0 | 0 | 115.6 | |||||
| 693 | N | 31.3 | Very low | 30.4 | Very low | 123 Ų | 123 | 137 Ų | 137 | 66% | 0.658 | 74% | 0.739 | S | S | * | * | 39.4 | 138.6 | 119.5 | -67.3 | -24.4 | 0 | 0 | 0 | 123.7 | |||||
| 694 | N | 30.4 | Very low | 30.3 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | 75.3 | 158.5 | 156.6 | -48.1 | -27.6 | 0 | 0 | 0 | 115.7 | ||||
| 695 | I | 33.5 | Very low | 30.3 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | cis | -139.4 | 137.2 | 20.8 | -67.8 | 168.7 | 0 | 0 | 0 | 112.9 | ||||
| 696 | N | 30.8 | Very low | 30.4 | Very low | 129 Ų | 129 | 142 Ų | 142 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | trans | 19.9 | 135.4 | 149.7 | -57.1 | -12.2 | 0 | 0 | 0 | 124.7 | ||||
| 697 | N | 30 | Very low | 30.4 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | 49.7 | 123.5 | 125.5 | -50.7 | -10 | 0 | 0 | 0 | 122.2 | |||||
| 698 | N | 32.8 | Very low | 30.5 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | 168.5 | 158.8 | 113.7 | -88.4 | -11.2 | 0 | 0 | 0 | 110.4 | |||||
| 699 | I | 30.1 | Very low | 30.5 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 66% | 0.662 | 73% | 0.732 | S | S | * | * | cis | -167.7 | 148.4 | -27.3 | -112.5 | 170.6 | 0 | 0 | 0 | 104.4 | ||||
| 700 | N | 30.1 | Very low | 30.8 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | 49.3 | 113.4 | 160.2 | -65.1 | -0.2 | 0 | 0 | 0 | 123.3 | ||||
| 701 | S | 28.6 | Very low | 30.7 | Very low | 96 Ų | 96 | 138 Ų | 138 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | 45.4 | 120.5 | 109.1 | -41.8 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 702 | N | 31.3 | Very low | 30.9 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | -169.9 | 152.3 | 92.7 | -94.3 | -22 | 0 | 0 | 0 | 113.2 | |||||
| 703 | N | 31.1 | Very low | 30.8 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | -87.8 | 156.1 | 176.1 | -59.7 | -30.4 | 0 | 0 | 0 | 111.2 | ||||
| 704 | N | 30.7 | Very low | 30.7 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | -170.9 | 156.2 | 102.3 | -99.2 | -12.9 | 0 | 0 | 0 | 116.2 | |||||
| 705 | Y | 30.1 | Very low | 30.9 | Very low | 201 Ų | 201 | 139.4 Ų | 139.4 | 79% | 0.788 | 75% | 0.754 | S | S | * | * | trans | -76.1 | -176.1 | 171.8 | -84.3 | -100.8 | 0 | 0 | 0 | 110.7 | ||||
| 706 | N | 30.7 | Very low | 30.8 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | cis | -157.1 | 175.5 | 23.9 | -145.5 | -16.7 | 0 | 0 | 0 | 115.1 | ||||
| 707 | N | 30.8 | Very low | 30.7 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | trans | -79.2 | 176.5 | 177.3 | -60.6 | -68.2 | 0 | 0 | 0 | 113.8 | ||||
| 708 | N | 31.2 | Very low | 30.9 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 64% | 0.642 | 76% | 0.756 | S | S | * | * | trans | -143.3 | 153 | 150.5 | -117.8 | -13 | 0 | 0 | 0 | 111.2 | ||||
| 709 | I | 29.5 | Very low | 30.8 | Very low | 139 Ų | 139 | 137 Ų | 137 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | -137.4 | 143.2 | -165.9 | -64.4 | 165.9 | 0 | 0 | 0 | 109.8 | ||||
| 710 | S | 32.2 | Very low | 30.8 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -170.9 | 145.5 | 146 | 38.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 711 | N | 28.2 | Very low | 30.8 | Very low | 144 Ų | 144 | 137 Ų | 137 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | -78.3 | 161 | -171 | -48.3 | -19.1 | 0 | 0 | 0 | 114.1 | ||||
| 712 | S | 32.8 | Very low | 30.9 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -151.5 | 146.5 | 136.5 | 63.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 713 | D | 30.3 | Very low | 30.9 | Very low | 133 Ų | 133 | 138.9 Ų | 138.9 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | -96.3 | 167 | -168.4 | -59 | -74.3 | 0 | 0 | 0 | 114.6 | ||||
| 714 | N | 30.4 | Very low | 31 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | 62.5 | 105.5 | 155.8 | -60.5 | -44 | 0 | 0 | 0 | 119.1 | ||||
| 715 | N | 33.7 | Very low | 31 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 90% | 0.904 | 76% | 0.764 | S | S | * | * | -174.3 | 130.4 | 107 | -98.9 | -50.1 | 0 | 0 | 0 | 115.3 | |||||
| 716 | G | 31.1 | Very low | 31.1 | Very low | 64 Ų | 64 | 136.7 Ų | 136.7 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | 53.8 | 101.9 | 129.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 717 | N | 29.6 | Very low | 31.3 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | 76.2 | 147 | 138.2 | -68.4 | -14.3 | 0 | 0 | 0 | 122.6 | ||||
| 718 | N | 32.7 | Very low | 31.4 | Very low | 136 Ų | 136 | 135.9 Ų | 135.9 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 91.1 | 108.5 | 156 | -60 | -27.3 | 0 | 0 | 0 | 120.3 | ||||
| 719 | N | 30.7 | Very low | 31.5 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | 96.1 | 152 | 136.6 | -62 | -22.2 | 0 | 0 | 0 | 121.9 | ||||
| 720 | S | 32.1 | Very low | 31.7 | Very low | 105 Ų | 105 | 139.1 Ų | 139.1 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | 65.9 | 83.1 | 161.2 | 36.8 | 0 | 0 | 0 | 0 | 118.5 | N722 | S720-N722 PolarHBondContact O-N 3.1Š| ||
| 721 | I | 28.2 | Very low | 31.8 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | -20.3 | 124.2 | 133.4 | -61.2 | 162.9 | 0 | 0 | 0 | 112.4 | ||||
| 722 | N | 30.9 | Very low | 31.9 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -156.5 | 83.1 | 159.6 | -114 | -24.5 | 0 | 0 | 0 | 110.6 | S720 | S720-N722 PolarHBondContact O-N 3.1Š| ||
| 723 | I | 32.2 | Very low | 32 | Very low | 147 Ų | 147 | 142 Ų | 142 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | -84.8 | 118 | 165.7 | -65.7 | 177.9 | 0 | 0 | 0 | 107.3 | N725 | I723-N725 PolarHBondContact O-N 2.96Å; I723-N725 VanDerWaalsContact O-N 3.13Å | ||
| 724 | I | 32.2 | Very low | 32.1 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -75 | 103.7 | 179 | -66.1 | 171.4 | 0 | 0 | 0 | 108.8 | ||||
| 725 | N | 32 | Very low | 32.1 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | trans | -65.2 | 133.5 | 165 | -72.9 | -41 | 0 | 0 | 0 | 109.5 | I723 | I723-N725 PolarHBondContact O-N 2.96Å; I723-N725 VanDerWaalsContact O-N 3.13Å | ||
| 726 | N | 31.9 | Very low | 31.9 | Very low | 157 Ų | 157 | 144.6 Ų | 144.6 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -123.7 | 66.1 | 173.1 | -144.8 | 0.1 | 0 | 0 | 0 | 111 | ||||
| 727 | T | 34.1 | Very low | 31.9 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -152.2 | 133.5 | 167.3 | -30.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 728 | T | 34.5 | Very low | 32.1 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | 47.5 | 102.6 | 171.2 | 51.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 729 | N | 31.4 | Very low | 32.1 | Very low | 167 Ų | 167 | 147.6 Ų | 147.6 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -157.6 | 113.6 | 130.2 | -114 | -33.1 | 0 | 0 | 0 | 111.4 | ||||
| 730 | I | 35.3 | Very low | 32.1 | Very low | 160 Ų | 160 | 146.5 Ų | 146.5 | 82% | 0.821 | 78% | 0.782 | S | S | * | * | trans | -99.3 | 108.4 | 171.6 | -67.5 | 177.7 | 0 | 0 | 0 | 108.3 | ||||
| 731 | N | 33.5 | Very low | 32.2 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | 34 | 89.4 | 154.2 | -65.1 | -23.2 | 0 | 0 | 0 | 118.3 | ||||
| 732 | N | 30.7 | Very low | 32.5 | Very low | 176 Ų | 176 | 145.8 Ų | 145.8 | 94% | 0.941 | 77% | 0.772 | S | S | * | * | trans | -94.1 | 87.2 | 146.4 | -107.6 | -28 | 0 | 0 | 0 | 108.9 | ||||
| 733 | N | 35 | Very low | 32.7 | Very low | 135 Ų | 135 | 145 Ų | 145 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | -131.6 | 104 | 179 | -113.3 | -24.1 | 0 | 0 | 0 | 109.8 | ||||
| 734 | I | 32.3 | Very low | 32.7 | Very low | 168 Ų | 168 | 147.1 Ų | 147.1 | 86% | 0.862 | 76% | 0.763 | S | S | * | * | trans | 173.8 | 127.2 | 140 | -91.1 | 154.4 | 0 | 0 | 0 | 108.5 | ||||
| 735 | K | 31.2 | Very low | 32.8 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | -88 | 157.1 | 170.4 | -69.3 | 175.1 | 175.3 | 174 | 0 | 109.9 | ||||
| 736 | N | 28.5 | Very low | 32.9 | Very low | 146 Ų | 146 | 144 Ų | 144 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | trans | 62.8 | 116.2 | 161.3 | -50.7 | -17.2 | 0 | 0 | 0 | 115.2 | ||||
| 737 | S | 32.1 | Very low | 33.1 | Very low | 91 Ų | 91 | 142.2 Ų | 142.2 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | 169.6 | 166.5 | 63.4 | 56.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 738 | K | 33.8 | Very low | 33.2 | Very low | 187 Ų | 187 | 142.4 Ų | 142.4 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | trans | 66 | 150.6 | 164.7 | -60.3 | 160.7 | -174.2 | 173.2 | 0 | 115.4 | ||||
| 739 | N | 30.8 | Very low | 33.2 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | cis | 170.5 | 150.8 | -30.2 | -114.1 | 29 | 0 | 0 | 0 | 105.4 | ||||
| 740 | N | 32.2 | Very low | 33.3 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 66% | 0.663 | 73% | 0.729 | S | S | * | * | trans | 76.6 | 126.1 | 152.4 | -63.6 | 11.3 | 0 | 0 | 0 | 121.1 | ||||
| 741 | N | 34.2 | Very low | 33.3 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 72% | 0.717 | 72% | 0.721 | S | S | * | * | trans | 71.5 | 149.1 | 144.3 | -53.9 | -3 | 0 | 0 | 0 | 117.3 | ||||
| 742 | N | 34.2 | Very low | 33.4 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | cis | -171 | 168.4 | -14.6 | -108.1 | -5.5 | 0 | 0 | 0 | 107.4 | ||||
| 743 | H | 34.6 | Very low | 33.5 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 61% | 0.611 | 71% | 0.708 | S | S | * | * | cis | -160.7 | -173 | -0.2 | -130.6 | -9.8 | 0 | 0 | 0 | 109.8 | ||||
| 744 | Y | 33.1 | Very low | 33.5 | Very low | 192 Ų | 192 | 135.1 Ų | 135.1 | 75% | 0.753 | 71% | 0.707 | S | S | * | * | trans | 69.2 | 114.3 | 172.7 | -61.1 | -78.8 | 0 | 0 | 0 | 116.5 | ||||
| 745 | N | 34 | Very low | 33.7 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | 73.4 | 139.5 | 57.2 | -65.2 | 6.5 | 0 | 0 | 0 | 112.1 | |||||
| 746 | S | 34.2 | Very low | 33.9 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 69% | 0.692 | S | S | * | * | cis | -166 | 163.1 | 11.5 | -111.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 747 | N | 34.8 | Very low | 34.2 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 65% | 0.647 | 69% | 0.693 | S | S | * | * | cis | -170.7 | 176.9 | -19.7 | -131.6 | 54.9 | 0 | 0 | 0 | 109.7 | ||||
| 748 | N | 35.9 | Very low | 34.3 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 65% | 0.652 | 69% | 0.692 | S | S | * | * | trans | 68.8 | 143.2 | 159.3 | -59.7 | -3.8 | 0 | 0 | 0 | 118.2 | ||||
| 749 | N | 34.8 | Very low | 34.4 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 66% | 0.658 | 69% | 0.687 | S | S | * | * | cis | -172.7 | 159.6 | -12 | -109.8 | -8 | 0 | 0 | 0 | 110.3 | ||||
| 750 | I | 34.8 | Very low | 34.5 | Very low | 145 Ų | 145 | 127.7 Ų | 127.7 | 74% | 0.744 | 69% | 0.686 | S | S | * | * | trans | 65.9 | 131.6 | 144.9 | -69.1 | 166.1 | 0 | 0 | 0 | 117.9 | ||||
| 751 | N | 34.6 | Very low | 34.6 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 64% | 0.642 | 69% | 0.69 | S | S | * | * | cis | -168.6 | 170 | -19.2 | -133 | 39.6 | 0 | 0 | 0 | 110.2 | ||||
| 752 | D | 35.6 | Very low | 34.7 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 66% | 0.663 | 70% | 0.696 | S | S | * | * | trans | 63 | 147.7 | 156 | -59.7 | -44.8 | 0 | 0 | 0 | 121.1 | ||||
| 753 | N | 31.8 | Very low | 34.7 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | cis | 154.9 | 169.5 | -27.8 | -100.2 | -40.5 | 0 | 0 | 0 | 107.4 | ||||
| 754 | S | 36.8 | Very low | 34.7 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 69% | 0.692 | 71% | 0.713 | S | S | * | * | trans | 76.6 | 113.4 | 173.8 | 77.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 755 | N | 35.9 | Very low | 34.6 | Very low | 136 Ų | 136 | 125.7 Ų | 125.7 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | 85.6 | 145.9 | 61.3 | -68.7 | -10.6 | 0 | 0 | 0 | 111.3 | |||||
| 756 | N | 34.5 | Very low | 34.6 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | cis | -168.5 | 166.3 | -16.2 | -104.8 | -18.7 | 0 | 0 | 0 | 108 | ||||
| 757 | N | 35.1 | Very low | 34.6 | Very low | 151 Ų | 151 | 125.6 Ų | 125.6 | 81% | 0.807 | 72% | 0.717 | S | S | * | * | trans | 66.7 | 161.6 | 152.8 | -69 | -6.4 | 0 | 0 | 0 | 118.4 | ||||
| 758 | S | 33.8 | Very low | 34.7 | Very low | 88 Ų | 88 | 127.1 Ų | 127.1 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | cis | -168.3 | 168.3 | -30.9 | -168.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 759 | N | 35.7 | Very low | 34.7 | Very low | 133 Ų | 133 | 127.3 Ų | 127.3 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | trans | 64.1 | 112 | 156.7 | -68.1 | -21.4 | 0 | 0 | 0 | 120.7 | ||||
| 760 | N | 33.1 | Very low | 34.7 | Very low | 134 Ų | 134 | 128 Ų | 128 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | 27.7 | 121.8 | 113.3 | -54.8 | -3.3 | 0 | 0 | 0 | 119 | |||||
| 761 | N | 35.1 | Very low | 34.7 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | 175.6 | 152.4 | 100.9 | -90 | -32.6 | 0 | 0 | 0 | 112.7 | |||||
| 762 | N | 35.8 | Very low | 34.7 | Very low | 159 Ų | 159 | 127.4 Ų | 127.4 | 85% | 0.85 | 73% | 0.733 | S | S | * | * | trans | 45.8 | 147.9 | 147.9 | -58.6 | -15.4 | 0 | 0 | 0 | 122.3 | ||||
| 763 | G | 35.2 | Very low | 34.6 | Very low | 76 Ų | 76 | 128.2 Ų | 128.2 | 78% | 0.784 | 74% | 0.737 | S | S | * | * | trans | 128.9 | 108.2 | 136 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 764 | N | 33.3 | Very low | 34.6 | Very low | 152 Ų | 152 | 128 Ų | 128 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | -75.3 | 157.6 | 172.2 | -82.4 | -15.6 | 0 | 0 | 0 | 113.9 | ||||
| 765 | N | 31.7 | Very low | 34.5 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | trans | 83.3 | 142 | 146.1 | -65.5 | -12.5 | 0 | 0 | 0 | 122.1 | ||||
| 766 | N | 34 | Very low | 34.4 | Very low | 166 Ų | 166 | 129.6 Ų | 129.6 | 89% | 0.888 | 74% | 0.735 | S | S | * | * | trans | 69.3 | 148.6 | 164.6 | -54.2 | -18.8 | 0 | 0 | 0 | 116.6 | ||||
| 767 | G | 33.9 | Very low | 34.3 | Very low | 61 Ų | 61 | 130 Ų | 130 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | cis | 158.9 | 162.2 | -6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 768 | N | 36.2 | Very low | 34.2 | Very low | 154 Ų | 154 | 128.3 Ų | 128.3 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | trans | 68.3 | 152.6 | 174.5 | -63 | -9 | 0 | 0 | 0 | 115.9 | ||||
| 769 | N | 36.3 | Very low | 34.1 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 67% | 0.674 | 74% | 0.738 | S | S | * | * | cis | -157 | 172.9 | -3.4 | -127 | -10.9 | 0 | 0 | 0 | 113.5 | ||||
| 770 | N | 34.8 | Very low | 33.8 | Very low | 136 Ų | 136 | 131 Ų | 131 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | 74.5 | 131.7 | 165.6 | -54.5 | -17.6 | 0 | 0 | 0 | 115.9 | ||||
| 771 | N | 34.6 | Very low | 33.8 | Very low | 137 Ų | 137 | 131.2 Ų | 131.2 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | cis | -140.6 | 142.1 | 10 | -95.4 | -26 | 0 | 0 | 0 | 112.7 | ||||
| 772 | T | 35.1 | Very low | 33.6 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 71% | 0.712 | 73% | 0.734 | S | S | * | * | trans | 50.7 | 140.4 | 148.8 | 59.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 773 | N | 34.2 | Very low | 33.5 | Very low | 142 Ų | 142 | 127.8 Ų | 127.8 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | cis | -169.2 | 112 | -25.3 | -104.6 | -12.9 | 0 | 0 | 0 | 105.3 | ||||
| 774 | N | 31.3 | Very low | 33.4 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | 93.8 | 162.3 | 78.9 | -153 | -0.3 | 0 | 0 | 0 | 112.9 | |||||
| 775 | I | 35.8 | Very low | 33.4 | Very low | 151 Ų | 151 | 130 Ų | 130 | 77% | 0.774 | 72% | 0.722 | S | S | * | * | trans | 85.1 | 102 | -167.9 | -53.1 | 172.7 | 0 | 0 | 0 | 112 | ||||
| 776 | N | 32.9 | Very low | 33.5 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 62% | 0.62 | 72% | 0.717 | S | S | * | * | 81.1 | 143.2 | 55.7 | -62.9 | -13.1 | 0 | 0 | 0 | 112.8 | |||||
| 777 | N | 31.9 | Very low | 33.6 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 68% | 0.684 | 71% | 0.71 | S | S | * | * | cis | -167.5 | 178.5 | -9.3 | -116.3 | -17.2 | 0 | 0 | 0 | 110.5 | ||||
| 778 | T | 33.6 | Very low | 33.7 | Very low | 116 Ų | 116 | 130 Ų | 130 | 71% | 0.712 | 72% | 0.715 | S | S | * | * | trans | 64 | 130.6 | 156.8 | 42.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 779 | I | 30.8 | Very low | 33.6 | Very low | 140 Ų | 140 | 128.7 Ų | 128.7 | 72% | 0.718 | 71% | 0.707 | S | S | * | * | cis | 94.4 | 113.7 | 37 | -66.7 | 164.7 | 0 | 0 | 0 | 113.7 | ||||
| 780 | N | 30.4 | Very low | 33.5 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | trans | 63.5 | 148.1 | 151.2 | -65.9 | 1.4 | 0 | 0 | 0 | 123.8 | ||||
| 781 | N | 32.3 | Very low | 33.6 | Very low | 139 Ų | 139 | 128 Ų | 128 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | trans | 77.4 | 97.5 | 141.8 | -74.6 | 10.9 | 0 | 0 | 0 | 122.3 | ||||
| 782 | S | 31.8 | Very low | 33.6 | Very low | 87 Ų | 87 | 128.4 Ų | 128.4 | 61% | 0.608 | 71% | 0.714 | S | S | * | * | 79.8 | 141.6 | 108.8 | 75.3 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 783 | N | 32.4 | Very low | 33.6 | Very low | 137 Ų | 137 | 129 Ų | 129 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | trans | 63.8 | 123.3 | 143 | -63.2 | 4.7 | 0 | 0 | 0 | 116.8 | ||||
| 784 | N | 33.3 | Very low | 33.6 | Very low | 125 Ų | 125 | 129 Ų | 129 | 67% | 0.668 | 71% | 0.713 | S | S | * | * | cis | 178.5 | 161.8 | 40.1 | -109 | -8.6 | 0 | 0 | 0 | 110.1 | ||||
| 785 | N | 34.6 | Very low | 33.7 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 80% | 0.802 | 71% | 0.71 | S | S | * | * | trans | 62.5 | 156.2 | 155.7 | -60.2 | -11.7 | 0 | 0 | 0 | 119.3 | ||||
| 786 | S | 33.7 | Very low | 33.6 | Very low | 87 Ų | 87 | 127.4 Ų | 127.4 | 61% | 0.608 | 71% | 0.713 | S | S | * | * | cis | 171.3 | 165.9 | -27.5 | -174.3 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 787 | N | 35.8 | Very low | 33.6 | Very low | 139 Ų | 139 | 125.8 Ų | 125.8 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | trans | 75.6 | 148.4 | 166.4 | -49 | -14 | 0 | 0 | 0 | 115.7 | ||||
| 788 | N | 35 | Very low | 33.7 | Very low | 136 Ų | 136 | 126.7 Ų | 126.7 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | cis | -170.7 | 170.8 | -37.8 | -129 | -7.6 | 0 | 0 | 0 | 108.8 | ||||
| 789 | N | 35.3 | Very low | 33.7 | Very low | 125 Ų | 125 | 127 Ų | 127 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | trans | 65.9 | 100.2 | 152.7 | -60.4 | -9 | 0 | 0 | 0 | 120.6 | ||||
| 790 | N | 34.9 | Very low | 33.8 | Very low | 146 Ų | 146 | 127.8 Ų | 127.8 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | 70.6 | 152.7 | 114.4 | -71.3 | -5 | 0 | 0 | 0 | 124.3 | |||||
| 791 | S | 35.5 | Very low | 34 | Very low | 101 Ų | 101 | 125.7 Ų | 125.7 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | trans | 73.7 | 94.1 | 147.1 | 42.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 792 | N | 34.1 | Very low | 34.1 | Very low | 146 Ų | 146 | 127 Ų | 127 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | 62.8 | 144.9 | 111.2 | -69.4 | 13.7 | 0 | 0 | 0 | 122.7 | |||||
| 793 | N | 35.8 | Very low | 34.2 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | trans | 86.6 | 108.9 | 150.6 | -64.6 | -5.1 | 0 | 0 | 0 | 120.4 | ||||
| 794 | N | 35 | Very low | 34.4 | Very low | 141 Ų | 141 | 131 Ų | 131 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | 83.9 | 136.5 | 126 | -62.3 | 1.8 | 0 | 0 | 0 | 122.3 | |||||
| 795 | S | 33.8 | Very low | 34.5 | Very low | 93 Ų | 93 | 130.8 Ų | 130.8 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | trans | 74.7 | 115.5 | 142.8 | -78.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 796 | D | 32.9 | Very low | 34.5 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | 55.9 | 118.5 | 120.4 | -46.5 | -48.3 | 0 | 0 | 0 | 119.8 | |||||
| 797 | G | 33.6 | Very low | 34.6 | Very low | 83 Ų | 83 | 132.3 Ų | 132.3 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | trans | 180 | 144.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 798 | N | 32.7 | Very low | 34.5 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | -143.3 | 160.2 | -178 | -163.6 | 8.4 | 0 | 0 | 0 | 111.4 | ||||
| 799 | N | 33.4 | Very low | 34.5 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 66% | 0.658 | 75% | 0.752 | S | S | * | * | trans | 78.8 | 126.5 | 168.1 | -51.9 | -48.7 | 0 | 0 | 0 | 120.9 | ||||
| 800 | N | 33.4 | Very low | 34.4 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | trans | 44.7 | 112.8 | 133.4 | -59.6 | -13.9 | 0 | 0 | 0 | 123.5 | ||||
| 801 | A | 35 | Very low | 34.4 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | trans | -160.7 | 120 | 140.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 802 | N | 34.7 | Very low | 34.2 | Very low | 167 Ų | 167 | 130 Ų | 130 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | 83.1 | 134 | 73.8 | -80.8 | -21 | 0 | 0 | 0 | 115.8 | |||||
| 803 | N | 33.4 | Very low | 34.1 | Very low | 156 Ų | 156 | 129 Ų | 129 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | trans | -64.7 | 162.3 | 173.6 | -67.4 | -39.1 | 0 | 0 | 0 | 112.7 | ||||
| 804 | I | 35.6 | Very low | 34 | Very low | 151 Ų | 151 | 129.9 Ų | 129.9 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | trans | -163.5 | 128.5 | 135 | -108.5 | 155.6 | 0 | 0 | 0 | 115.6 | ||||
| 805 | N | 36.4 | Very low | 33.8 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 65% | 0.652 | 75% | 0.751 | S | S | * | * | trans | 36.7 | 132.4 | 145.7 | -44.2 | -15 | 0 | 0 | 0 | 123.8 | ||||
| 806 | N | 35.5 | Very low | 33.6 | Very low | 144 Ų | 144 | 126.3 Ų | 126.3 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | 162.5 | 166.6 | 94.9 | -87 | -51.7 | 0 | 0 | 0 | 112.4 | |||||
| 807 | N | 34.7 | Very low | 33.5 | Very low | 125 Ų | 125 | 124 Ų | 124 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | -168.3 | 165.9 | -55.1 | -147.1 | -19.6 | 0 | 0 | 0 | 109.5 | |||||
| 808 | I | 34.7 | Very low | 33.4 | Very low | 146 Ų | 146 | 127.3 Ų | 127.3 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | 65.6 | 128.7 | 161.5 | -62.4 | 158.3 | 0 | 0 | 0 | 115.3 | ||||
| 809 | S | 34.1 | Very low | 33.2 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | cis | -165.8 | -166.1 | -7 | 53.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 810 | N | 34 | Very low | 33 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | cis | -161.1 | 171.6 | 9.5 | -155.8 | -3.2 | 0 | 0 | 0 | 111.9 | ||||
| 811 | S | 33.8 | Very low | 32.8 | Very low | 73 Ų | 73 | 126.3 Ų | 126.3 | 51% | 0.51 | 74% | 0.742 | S | S | . | * | trans | 55.9 | 103.4 | 143.9 | 162.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 812 | N | 32.6 | Very low | 32.5 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | 81 | 140.5 | 122.4 | -58.6 | -9.9 | 0 | 0 | 0 | 119.1 | |||||
| 813 | N | 32.2 | Very low | 32.2 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 67% | 0.668 | 74% | 0.737 | S | S | * | * | cis | -152.9 | 157.1 | 9 | -112.1 | -14.1 | 0 | 0 | 0 | 113.2 | ||||
| 814 | N | 32 | Very low | 32.1 | Very low | 149 Ų | 149 | 127.7 Ų | 127.7 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | trans | 58.7 | 109.6 | 150.7 | -61.6 | -13.9 | 0 | 0 | 0 | 122.9 | ||||
| 815 | G | 30.9 | Very low | 31.7 | Very low | 87 Ų | 87 | 127.6 Ų | 127.6 | 90% | 0.897 | 74% | 0.735 | S | S | * | * | trans | 89.9 | 134 | 133.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 816 | G | 29.7 | Very low | 31.4 | Very low | 72 Ų | 72 | 128.4 Ų | 128.4 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | cis | 173.3 | 156.6 | -9.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 817 | S | 31.3 | Very low | 31.2 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | trans | 60 | 115.9 | 150.5 | -57.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 818 | N | 31.6 | Very low | 30.9 | Very low | 151 Ų | 151 | 126.6 Ų | 126.6 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | trans | 64.3 | 129.6 | 130.5 | -58.2 | -18.1 | 0 | 0 | 0 | 120 | ||||
| 819 | S | 29.3 | Very low | 30.8 | Very low | 86 Ų | 86 | 126.3 Ų | 126.3 | 60% | 0.601 | 74% | 0.737 | S | S | * | * | cis | 82.5 | 99.5 | 47.1 | 176.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 820 | K | 29.1 | Very low | 30.7 | Very low | 183 Ų | 183 | 128.7 Ų | 128.7 | 80% | 0.796 | 74% | 0.741 | S | S | * | * | trans | 81.6 | 145.3 | 141.4 | -69.5 | 175.8 | -176.3 | 173.3 | 0 | 121.6 | ||||
| 821 | N | 28.6 | Very low | 30.6 | Very low | 136 Ų | 136 | 125.9 Ų | 125.9 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | 75.9 | 112.9 | 146.6 | -68.3 | 5.1 | 0 | 0 | 0 | 121.5 | ||||
| 822 | N | 28.6 | Very low | 30.6 | Very low | 140 Ų | 140 | 128.7 Ų | 128.7 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | 50.8 | 143.1 | 127 | -65 | 7.8 | 0 | 0 | 0 | 122.9 | |||||
| 823 | N | 28 | Very low | 30.7 | Very low | 150 Ų | 150 | 128.7 Ų | 128.7 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | trans | 92.6 | 164.4 | 160.3 | -57.2 | -20.3 | 0 | 0 | 0 | 117.7 | ||||
| 824 | I | 31.2 | Very low | 30.8 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 80% | 0.795 | 75% | 0.746 | S | S | * | * | trans | 77.9 | 79.9 | 168.7 | -44.9 | -176.7 | 0 | 0 | 0 | 116.6 | ||||
| 825 | I | 27.9 | Very low | 30.8 | Very low | 149 Ų | 149 | 127.7 Ų | 127.7 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | 12.1 | 106.7 | 120.6 | -52.6 | 162.6 | 0 | 0 | 0 | 115.9 | |||||
| 826 | N | 30.9 | Very low | 31 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | -175.5 | 137.2 | 114.9 | -110.9 | -44.1 | 0 | 0 | 0 | 116 | |||||
| 827 | S | 29.3 | Very low | 31.1 | Very low | 86 Ų | 86 | 134 Ų | 134 | 60% | 0.601 | 74% | 0.736 | S | S | * | * | 26.7 | 119.5 | 129.1 | -48.8 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 828 | N | 29.2 | Very low | 31.3 | Very low | 145 Ų | 145 | 134.7 Ų | 134.7 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | 88.2 | 144.3 | 128.8 | -64.1 | -10.2 | 0 | 0 | 0 | 123.6 | |||||
| 829 | N | 33.3 | Very low | 31.5 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | trans | 82.6 | 85.4 | 150.2 | -63.9 | -10.5 | 0 | 0 | 0 | 122.2 | ||||
| 830 | N | 31.9 | Very low | 31.7 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | 56.5 | 136.5 | 113.3 | -90.3 | 1.3 | 0 | 0 | 0 | 123.9 | |||||
| 831 | S | 31.2 | Very low | 31.7 | Very low | 87 Ų | 87 | 134.8 Ų | 134.8 | 61% | 0.608 | 74% | 0.739 | S | S | * | * | trans | 64.8 | 117.6 | 141.4 | 60.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 832 | N | 34.3 | Very low | 31.9 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | -174.2 | 117.5 | 90.8 | -92.5 | -49.3 | 0 | 0 | 0 | 115.3 | |||||
| 833 | N | 33.8 | Very low | 32.1 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | 56.1 | 162.7 | 127.3 | -58.7 | -13.7 | 0 | 0 | 0 | 125.1 | |||||
| 834 | V | 34.4 | Very low | 32.3 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | trans | 75.9 | 100.1 | 167.5 | -162.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 835 | I | 32.2 | Very low | 32.3 | Very low | 130 Ų | 130 | 136 Ų | 136 | 67% | 0.667 | 75% | 0.745 | S | S | * | * | cis | 84.7 | 119.2 | 45.5 | -59.7 | 162.1 | 0 | 0 | 0 | 112.8 | ||||
| 836 | D | 35.4 | Very low | 32.6 | Very low | 161 Ų | 161 | 137.5 Ų | 137.5 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | -148.3 | 157.6 | 123.7 | -129.5 | -29.5 | 0 | 0 | 0 | 113 | |||||
| 837 | N | 31.4 | Very low | 32.6 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | trans | -144.6 | 144.9 | -158.7 | -114.5 | -29.5 | 0 | 0 | 0 | 113.3 | ||||
| 838 | T | 36.7 | Very low | 32.8 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | trans | -169.9 | 114.3 | 152.7 | 16.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 839 | N | 34.4 | Very low | 32.8 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | 81.7 | 135.5 | 75.1 | -78.7 | -23.3 | 0 | 0 | 0 | 114.4 | |||||
| 840 | N | 33.7 | Very low | 32.8 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | cis | -161.9 | 168.3 | -21.6 | -143.3 | -36.8 | 0 | 0 | 0 | 111.4 | ||||
| 841 | N | 30.2 | Very low | 32.7 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | trans | -86.3 | 138.6 | -179.8 | -77.7 | -64.7 | 0 | 0 | 0 | 114.1 | ||||
| 842 | I | 32.5 | Very low | 32.6 | Very low | 148 Ų | 148 | 148 Ų | 148 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -147.5 | 131.4 | 171.7 | -61.1 | -174.9 | 0 | 0 | 0 | 105 | ||||
| 843 | K | 32.2 | Very low | 32.3 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 79% | 0.787 | 77% | 0.765 | S | S | * | * | cis | -152.3 | 177.6 | 21.4 | -131.7 | 154.9 | -161.3 | 167.9 | 0 | 111.4 | ||||
| 844 | N | 32 | Very low | 32.3 | Very low | 161 Ų | 161 | 146.1 Ų | 146.1 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | 81.6 | 137.9 | 170.4 | -53.5 | -21.7 | 0 | 0 | 0 | 116.2 | ||||
| 845 | S | 32.3 | Very low | 32 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | cis | -117.2 | 161.4 | 2 | 57 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 846 | K | 32.4 | Very low | 32.2 | Very low | 181 Ų | 181 | 147 Ų | 147 | 79% | 0.787 | 77% | 0.77 | S | S | * | * | trans | -87.5 | 144.9 | 160.5 | -64.6 | 179.6 | 176.6 | -177.5 | 0 | 108.9 | ||||
| 847 | N | 32.7 | Very low | 32 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | -167.1 | 148.3 | 111.9 | -101.2 | -0.7 | 0 | 0 | 0 | 113 | |||||
| 848 | N | 32.9 | Very low | 32 | Very low | 146 Ų | 146 | 145.7 Ų | 145.7 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | trans | -64.4 | 159.4 | -159.7 | -58.7 | -14.7 | 0 | 0 | 0 | 116.6 | ||||
| 849 | N | 28.5 | Very low | 31.8 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | -62.6 | 159 | 160.1 | -56.3 | -37.4 | 0 | 0 | 0 | 111.9 | ||||
| 850 | N | 33.5 | Very low | 31.5 | Very low | 152 Ų | 152 | 146.1 Ų | 146.1 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | -151.4 | 135.3 | 125.9 | -102.9 | -26 | 0 | 0 | 0 | 112.1 | |||||
| 851 | H | 29.2 | Very low | 31.5 | Very low | 137 Ų | 137 | 146.8 Ų | 146.8 | 63% | 0.634 | 76% | 0.762 | S | S | * | * | trans | -5.4 | 143.2 | 149 | -70 | -74.5 | 0 | 0 | 0 | 117.9 | ||||
| 852 | Y | 29.8 | Very low | 31.5 | Very low | 225 Ų | 225 | 144 Ų | 144 | 88% | 0.882 | 76% | 0.755 | S | S | * | * | -145.2 | 168.5 | 63 | -111.5 | -96.6 | 0 | 0 | 0 | 116.7 | |||||
| 853 | N | 28.4 | Very low | 31.4 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | -85 | 157 | -175 | -59.4 | -21 | 0 | 0 | 0 | 113.5 | ||||
| 854 | S | 33.2 | Very low | 31.4 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | -179.7 | 99.5 | 109.1 | -162.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 855 | N | 29.3 | Very low | 31.4 | Very low | 129 Ų | 129 | 143 Ų | 143 | 69% | 0.69 | 76% | 0.76 | S | S | * | * | 33.7 | 118.3 | 122 | -61 | -6 | 0 | 0 | 0 | 122 | |||||
| 856 | N | 34.8 | Very low | 31.3 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | -173 | 117.6 | 117.2 | -93.2 | -39.6 | 0 | 0 | 0 | 108.1 | |||||
| 857 | N | 32.1 | Very low | 31.4 | Very low | 131 Ų | 131 | 140.8 Ų | 140.8 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | 70.4 | 131.5 | 85.6 | -73 | -28.6 | 0 | 0 | 0 | 113.2 | |||||
| 858 | I | 31.5 | Very low | 31.3 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 68% | 0.677 | 76% | 0.755 | S | S | * | * | cis | -159.2 | 148.3 | 7.5 | -128.5 | 161.6 | 0 | 0 | 0 | 111.3 | ||||
| 859 | N | 32.2 | Very low | 31.3 | Very low | 134 Ų | 134 | 141 Ų | 141 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | trans | 51.6 | 159.9 | 160.1 | -68.3 | -17.8 | 0 | 0 | 0 | 121.6 | ||||
| 860 | N | 29.1 | Very low | 31.4 | Very low | 131 Ų | 131 | 140.3 Ų | 140.3 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | cis | -171.8 | 161 | -45.7 | -116.6 | -30.4 | 0 | 0 | 0 | 108 | ||||
| 861 | N | 32.2 | Very low | 31.3 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | 76 | 139.2 | 177.3 | -57.9 | -26.6 | 0 | 0 | 0 | 117.6 | ||||
| 862 | S | 30 | Very low | 31.3 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | cis | -165.4 | 170.6 | -24.6 | -115.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 863 | N | 31 | Very low | 31.3 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | trans | 64.4 | 73.5 | 166.6 | -59.8 | -12 | 0 | 0 | 0 | 117.7 | ||||
| 864 | N | 32 | Very low | 31.3 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 86% | 0.861 | 75% | 0.748 | S | S | * | * | trans | -95.4 | 115.8 | 154.6 | -98.6 | -38.5 | 0 | 0 | 0 | 109.8 | ||||
| 865 | N | 32.7 | Very low | 31.1 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | trans | -107.9 | 87.8 | -178.1 | -137.6 | -1.4 | 0 | 0 | 0 | 110.9 | N867 | N865-N867 PolarHBondContact O-N 3.36Š| ||
| 866 | S | 30.8 | Very low | 31.1 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | -93.8 | 74 | -171 | -62 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 867 | N | 33.3 | Very low | 31 | Very low | 148 Ų | 148 | 138 Ų | 138 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | -74.4 | 128.6 | 179.5 | -99 | -14.5 | 0 | 0 | 0 | 113.1 | N865 | N865-N867 PolarHBondContact O-N 3.36Š| ||
| 868 | N | 31.4 | Very low | 30.8 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | trans | -78 | 121.2 | -179.4 | -67.7 | -64.3 | 0 | 0 | 0 | 111.5 | ||||
| 869 | N | 31.7 | Very low | 30.9 | Very low | 155 Ų | 155 | 141.6 Ų | 141.6 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | trans | -98.2 | 111.5 | 163.4 | -100.9 | -3.1 | 0 | 0 | 0 | 110.3 | N871 | N869-N871 PolarHBondContact O-N 3.43Å; N869-N871 VanDerWaalsContact O-N 3.08Å | ||
| 870 | T | 31.3 | Very low | 31.1 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 82% | 0.816 | 75% | 0.748 | S | S | * | * | trans | -71.3 | 94.5 | 173.7 | 43.2 | 0 | 0 | 0 | 0 | 110.6 | S872 | T870-S872 PolarHBondContact O-N 2.83Š| ||
| 871 | N | 30.9 | Very low | 31.4 | Very low | 129 Ų | 129 | 140 Ų | 140 | 69% | 0.69 | 74% | 0.742 | S | S | * | * | trans | -66.1 | 95.1 | 173.6 | -88.8 | -12.7 | 0 | 0 | 0 | 111.1 | N869 K873 | N869-N871 PolarHBondContact O-N 3.43Å; N869-N871 VanDerWaalsContact O-N 3.08Å; N871-K873 PolarHBondContact O-N 2.88Å | ||
| 872 | S | 30 | Very low | 31.6 | Very low | 85 Ų | 85 | 138.9 Ų | 138.9 | 59% | 0.594 | 74% | 0.736 | S | S | * | * | trans | -55.6 | 132.3 | 160.2 | 51.5 | 0 | 0 | 0 | 0 | 109.4 | T870 N874 | T870-S872 PolarHBondContact O-N 2.83Å; S872-N874 PolarHBondContact O-N 2.98Å | ||
| 873 | K | 30.2 | Very low | 31.8 | Very low | 199 Ų | 199 | 140.3 Ų | 140.3 | 87% | 0.865 | 74% | 0.736 | S | S | * | * | trans | -81.2 | 64.4 | 177.7 | -74.3 | -176 | 177.3 | 174.3 | 0 | 111 | N871 Y875 | N871-K873 PolarHBondContact O-N 2.88Å; K873-Y875 PolarHBondContact O-N 2.88Å | ||
| 874 | N | 28.6 | Very low | 32 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 59% | 0.594 | 72% | 0.723 | S | S | * | * | trans | -65.6 | 119.2 | 173.7 | -86 | -8.4 | 0 | 0 | 0 | 110.5 | S872 T876 | S872-N874 PolarHBondContact O-N 2.98Å; N874-T876 PolarHBondContact O-N 2.97Å | ||
| 875 | Y | 27.4 | Very low | 32.1 | Very low | 236 Ų | 236 | 135.1 Ų | 135.1 | 93% | 0.925 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -76 | 45.6 | 173.3 | -97.6 | -95.9 | 0 | 0 | 0 | 111.7 | K873 | K873-Y875 PolarHBondContact O-N 2.88Š|
| 876 | T | 30.1 | Very low | 32.2 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 62% | 0.62 | 71% | 0.71 | S | S | * | * | trans | -143 | 65.4 | -170.6 | 55.6 | 0 | 0 | 0 | 0 | 112.8 | N874 | N874-T876 PolarHBondContact O-N 2.97Š| ||
| 877 | T | 32.2 | Very low | 32.3 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 64% | 0.644 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -132.7 | -17.4 | 174.5 | -35.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 878 | Y | 28.6 | Very low | 32.1 | Very low | 208 Ų | 208 | 136.7 Ų | 136.7 | 82% | 0.816 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -11 | -176 | -134.4 | -98.3 | 0 | 0 | 0 | 115 | ||
| 879 | N | 34.1 | Very low | 32.2 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -12.3 | -177.8 | -70.6 | 1.8 | 0 | 0 | 0 | 114.4 | ||
| 880 | N | 35 | Very low | 32.2 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 63% | 0.631 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -89.4 | -16.6 | -173.9 | -71.2 | 7.1 | 0 | 0 | 0 | 113.8 | ||
| 881 | I | 35 | Very low | 32.1 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 58% | 0.579 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -75 | -30 | -179.4 | -62.2 | 176.9 | 0 | 0 | 0 | 111.3 | ||
| 882 | I | 36.8 | Very low | 32.2 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 65% | 0.646 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -74.1 | -34 | 178.1 | -67.3 | 170 | 0 | 0 | 0 | 111.6 | ||
| 883 | N | 35.5 | Very low | 32.3 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 68% | 0.679 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -81.3 | -10.1 | 179.6 | -77.3 | -4 | 0 | 0 | 0 | 114.6 | ||
| 884 | S | 33.7 | Very low | 32.5 | Very low | 81 Ų | 81 | 137 Ų | 137 | 57% | 0.566 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -12.5 | -179.4 | -165.5 | 0 | 0 | 0 | 0 | 114.5 | ||
| 885 | N | 34.9 | Very low | 32.6 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -96.8 | -4.1 | -171.8 | -76.1 | -15.2 | 0 | 0 | 0 | 114.9 | ||
| 886 | N | 34.4 | Very low | 32.8 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -86.7 | -4.2 | 176.2 | -76.3 | -8.2 | 0 | 0 | 0 | 114.2 | ||
| 887 | N | 32.9 | Very low | 32.8 | Very low | 140 Ų | 140 | 138 Ų | 138 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -117.2 | 61.2 | -178.5 | -73.9 | -16.1 | 0 | 0 | 0 | 111.8 | ||
| 888 | N | 29.9 | Very low | 32.8 | Very low | 156 Ų | 156 | 138 Ų | 138 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | trans | -159.3 | 52.9 | 170.5 | -109.5 | -36.9 | 0 | 0 | 0 | 113.8 | N890 | N888-N890 PolarHBondContact O-N 2.94Š| ||
| 889 | T | 32.5 | Very low | 32.9 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | trans | -78.8 | 105.4 | 171.6 | 19.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 890 | N | 31.3 | Very low | 32.8 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | 39.1 | 104.4 | 153.6 | -63.3 | -23.8 | 0 | 0 | 0 | 118.4 | N888 | N888-N890 PolarHBondContact O-N 2.94Š| ||
| 891 | N | 29.7 | Very low | 32.7 | Very low | 148 Ų | 148 | 135 Ų | 135 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | -138.7 | 105.3 | 149.5 | -144 | -12.4 | 0 | 0 | 0 | 110 | ||||
| 892 | N | 33.7 | Very low | 32.4 | Very low | 167 Ų | 167 | 135.1 Ų | 135.1 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | trans | -163.3 | 124.2 | 164.8 | -113.8 | -30.3 | 0 | 0 | 0 | 109.9 | ||||
| 893 | N | 31.8 | Very low | 32.1 | Very low | 153 Ų | 153 | 139 Ų | 139 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -80.7 | 139.2 | -171.7 | -68.1 | -63.8 | 0 | 0 | 0 | 112.5 | ||||
| 894 | S | 34.2 | Very low | 31.8 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -142.2 | 139 | 139.8 | -167.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 895 | K | 31 | Very low | 31.7 | Very low | 183 Ų | 183 | 143 Ų | 143 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | -85.4 | 139 | -177.4 | -59.7 | 171.2 | 178.5 | 176 | 0 | 109.7 | ||||
| 896 | N | 31.2 | Very low | 31.6 | Very low | 140 Ų | 140 | 144.6 Ų | 144.6 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | 179.2 | 147.2 | 107.5 | -85.2 | -16.7 | 0 | 0 | 0 | 111.3 | |||||
| 897 | N | 30.3 | Very low | 31.3 | Very low | 147 Ų | 147 | 144.9 Ų | 144.9 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | 9.5 | 132.3 | 156.7 | -45.9 | -12.1 | 0 | 0 | 0 | 117.5 | ||||
| 898 | S | 33.2 | Very low | 31.2 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | cis | -160.2 | 152.3 | 42.3 | -52 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 899 | N | 29.6 | Very low | 31.2 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | trans | 29.5 | 113.4 | 149.1 | -57.4 | -8.4 | 0 | 0 | 0 | 120.1 | ||||
| 900 | G | 32.5 | Very low | 31.2 | Very low | 79 Ų | 79 | 144.2 Ų | 144.2 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | trans | -177.1 | 82.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 901 | N | 31.7 | Very low | 31.1 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -43.7 | 134.8 | -179.8 | -87 | -41.3 | 0 | 0 | 0 | 115 | ||||
| 902 | N | 30.2 | Very low | 31.2 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 63% | 0.626 | 79% | 0.787 | S | S | * | * | 52.4 | 133 | 91.1 | -70.7 | -61 | 0 | 0 | 0 | 113.3 | |||||
| 903 | R | 28.9 | Very low | 31 | Very low | 206 Ų | 206 | 146.7 Ų | 146.7 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | cis | -171.5 | 147.1 | 8.5 | -129.2 | 172.1 | -147.9 | -177.6 | -0.6 | 111.4 | ||||
| 904 | N | 30.5 | Very low | 31.1 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | 142.6 | 145.2 | 131.8 | -77.4 | -16.5 | 0 | 0 | 0 | 114.9 | ||||
| 905 | N | 31.6 | Very low | 31.1 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | trans | -90.7 | 155.2 | 177.2 | -48.2 | -43.2 | 0 | 0 | 0 | 110.6 | ||||
| 906 | N | 31.5 | Very low | 31.2 | Very low | 160 Ų | 160 | 142.5 Ų | 142.5 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | -167.8 | 172.2 | 105.5 | -98 | -18.6 | 0 | 0 | 0 | 113 | |||||
| 907 | I | 30.1 | Very low | 31.4 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | trans | -125.5 | 157.3 | -158.7 | -79.3 | 169.7 | 0 | 0 | 0 | 111.2 | ||||
| 908 | N | 29.6 | Very low | 31.5 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | trans | 81.5 | 119 | 164.7 | -77.6 | -17.8 | 0 | 0 | 0 | 120.4 | ||||
| 909 | N | 31.3 | Very low | 31.6 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 68% | 0.684 | 76% | 0.759 | S | S | * | * | 47.6 | 124.4 | 120.9 | -48.8 | -17.1 | 0 | 0 | 0 | 119.8 | |||||
| 910 | N | 31.2 | Very low | 31.8 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | -159.5 | 162.6 | 98.1 | -108.1 | -33.4 | 0 | 0 | 0 | 115.2 | |||||
| 911 | I | 29.9 | Very low | 31.9 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | -75.1 | 143.2 | -179 | -63.7 | 162.2 | 0 | 0 | 0 | 110.4 | ||||
| 912 | K | 31.5 | Very low | 32 | Very low | 206 Ų | 206 | 142.2 Ų | 142.2 | 90% | 0.896 | 74% | 0.74 | S | S | * | * | trans | -103.9 | 116.8 | 164.4 | -84.2 | -173.5 | 174 | -179.9 | 0 | 110.9 | ||||
| 913 | N | 30.1 | Very low | 32 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | trans | -113.2 | 134.7 | 159.8 | -84.8 | -4.4 | 0 | 0 | 0 | 109.1 | ||||
| 914 | S | 33.7 | Very low | 32.1 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | trans | -173.7 | 129.6 | 168.2 | -167 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 915 | K | 33.9 | Very low | 32.4 | Very low | 173 Ų | 173 | 134.4 Ų | 134.4 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | -169.3 | 168.1 | 58.8 | -79.3 | -177.7 | 152.4 | -96.2 | 0 | 108 | |||||
| 916 | D | 33.5 | Very low | 32.4 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 52% | 0.524 | 75% | 0.751 | S | S | . | * | cis | -164.5 | 154.1 | -20.7 | -90 | -22 | 0 | 0 | 0 | 106.2 | ||||
| 917 | N | 33.9 | Very low | 32.5 | Very low | 145 Ų | 145 | 130 Ų | 130 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | trans | 153.5 | 135.4 | 130.1 | -78.9 | -27.6 | 0 | 0 | 0 | 115.3 | ||||
| 918 | N | 33.7 | Very low | 32.8 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | trans | 65.4 | 105.2 | 150.4 | -60.9 | 3.2 | 0 | 0 | 0 | 120.8 | ||||
| 919 | S | 35 | Very low | 33 | Very low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | 62.9 | 137.6 | 110.9 | -57.4 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 920 | N | 32.9 | Very low | 33.1 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | cis | -163.5 | 173.8 | -4.8 | -130.3 | 44.9 | 0 | 0 | 0 | 111.7 | ||||
| 921 | D | 34.3 | Very low | 33.3 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 60% | 0.604 | 74% | 0.735 | S | S | * | * | trans | 67.2 | 103.4 | 148.7 | -67.1 | -45.5 | 0 | 0 | 0 | 122.9 | ||||
| 922 | N | 33.9 | Very low | 33.6 | Very low | 153 Ų | 153 | 130.2 Ų | 130.2 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | 76 | 145.1 | 120.9 | -55.8 | -33.1 | 0 | 0 | 0 | 122.8 | |||||
| 923 | G | 31.7 | Very low | 33.6 | Very low | 84 Ų | 84 | 127.1 Ų | 127.1 | 87% | 0.866 | 73% | 0.728 | S | S | * | * | trans | 142 | 38.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 924 | G | 31.2 | Very low | 33.7 | Very low | 68 Ų | 68 | 126.6 Ų | 126.6 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | trans | -100.5 | 137.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 925 | N | 35.7 | Very low | 33.7 | Very low | 154 Ų | 154 | 129.2 Ų | 129.2 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | trans | -179.3 | 157.1 | 165 | -97.5 | -32.8 | 0 | 0 | 0 | 109.7 | ||||
| 926 | N | 32.6 | Very low | 33.6 | Very low | 153 Ų | 153 | 126 Ų | 126 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | cis | -170.6 | 157.6 | -35.6 | -140 | -39.9 | 0 | 0 | 0 | 108.5 | ||||
| 927 | G | 33 | Very low | 33.6 | Very low | 59 Ų | 59 | 128.8 Ų | 128.8 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | trans | 145.1 | 115.6 | 156.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 928 | K | 35.9 | Very low | 33.5 | Very low | 200 Ų | 200 | 128.7 Ų | 128.7 | 87% | 0.87 | 75% | 0.745 | S | S | * | * | trans | 73 | 151 | 147 | -55.5 | 179 | -176.9 | 177.2 | 0 | 119.2 | ||||
| 929 | N | 34.2 | Very low | 33.4 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | cis | -168.9 | 150.5 | -48.3 | -115 | 39.3 | 0 | 0 | 0 | 109.3 | ||||
| 930 | N | 34 | Very low | 33.3 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 60% | 0.604 | 75% | 0.748 | S | S | * | * | trans | 63.1 | 117.3 | 148.8 | -75.5 | 64.3 | 0 | 0 | 0 | 122.4 | ||||
| 931 | D | 34.9 | Very low | 33.2 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 66% | 0.663 | 75% | 0.753 | S | S | * | * | 98 | 124.4 | 119.2 | -61.2 | -6.6 | 0 | 0 | 0 | 123.6 | |||||
| 932 | N | 35.5 | Very low | 33.1 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | 76.5 | 100.4 | 141.5 | -66.4 | -29.1 | 0 | 0 | 0 | 122.3 | ||||
| 933 | N | 32.1 | Very low | 33 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | 68.3 | 128.9 | 130.7 | -74.9 | -14.2 | 0 | 0 | 0 | 122.6 | ||||
| 934 | N | 33 | Very low | 33.1 | Very low | 144 Ų | 144 | 131.6 Ų | 131.6 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | 83.3 | 133.7 | 150.5 | -66.1 | -17 | 0 | 0 | 0 | 120.8 | ||||
| 935 | N | 32.3 | Very low | 33.1 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 83% | 0.829 | 74% | 0.735 | S | S | * | * | trans | 84.9 | 131.7 | 162.1 | -66.9 | -15.2 | 0 | 0 | 0 | 120.7 | ||||
| 936 | S | 32.4 | Very low | 33 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | trans | 86.4 | 124.3 | 159.1 | -58.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 937 | N | 33.7 | Very low | 32.9 | Very low | 156 Ų | 156 | 132.3 Ų | 132.3 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | trans | 77.8 | 61.4 | 152.7 | -55.8 | -14.9 | 0 | 0 | 0 | 118.8 | ||||
| 938 | N | 31.1 | Very low | 32.9 | Very low | 143 Ų | 143 | 135.8 Ų | 135.8 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | trans | -38.1 | 151.5 | 141.2 | -73.2 | 1.6 | 0 | 0 | 0 | 112.9 | ||||
| 939 | N | 33.1 | Very low | 32.7 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | cis | -152 | 144 | 4.6 | -119.5 | -11.5 | 0 | 0 | 0 | 112.3 | ||||
| 940 | Q | 31.6 | Very low | 32.5 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | trans | -146.9 | 117.4 | 171.3 | -179.5 | -179.4 | -1.9 | 0 | 0 | 110 | ||||
| 941 | S | 32.1 | Very low | 32.4 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | trans | -151.6 | 121.1 | 165.5 | 55.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 942 | N | 31.3 | Very low | 32.2 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 62% | 0.62 | 73% | 0.725 | S | S | * | * | cis | 77.9 | 121.7 | 42.2 | -75.6 | 4.4 | 0 | 0 | 0 | 115.8 | ||||
| 943 | N | 32.5 | Very low | 32.1 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 65% | 0.647 | 73% | 0.729 | S | S | * | * | 94.9 | 120.5 | 127.9 | -74.5 | 13.3 | 0 | 0 | 0 | 122.6 | |||||
| 944 | N | 33 | Very low | 32.3 | Very low | 122 Ų | 122 | 131 Ų | 131 | 65% | 0.652 | 72% | 0.724 | S | S | * | * | 93.2 | 123.9 | 119.8 | -71.6 | 8.2 | 0 | 0 | 0 | 122.1 | |||||
| 945 | N | 31.3 | Very low | 32.4 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | 121.5 | 135.8 | 108.9 | -94.5 | 3.3 | 0 | 0 | 0 | 121.5 | |||||
| 946 | I | 33.2 | Very low | 32.6 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 68% | 0.677 | 72% | 0.715 | S | S | * | * | trans | 79.9 | 100.9 | 138.2 | -66.5 | 167 | 0 | 0 | 0 | 120.2 | ||||
| 947 | N | 31.2 | Very low | 32.7 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 69% | 0.69 | 72% | 0.719 | S | S | * | * | 43.4 | 126.7 | 123 | -58.5 | -0.7 | 0 | 0 | 0 | 123.8 | |||||
| 948 | N | 32.1 | Very low | 32.9 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | 78.5 | 138.7 | 123.1 | -68 | 6.3 | 0 | 0 | 0 | 123.7 | |||||
| 949 | N | 32.9 | Very low | 33.2 | Very low | 130 Ų | 130 | 128.4 Ų | 128.4 | 70% | 0.695 | 71% | 0.709 | S | S | * | * | trans | 73.8 | 102.3 | 140.4 | -67.7 | 3.5 | 0 | 0 | 0 | 121.1 | ||||
| 950 | N | 30.4 | Very low | 33.4 | Very low | 140 Ų | 140 | 127.6 Ų | 127.6 | 75% | 0.749 | 71% | 0.705 | S | S | * | * | 62.7 | 134 | 113.2 | -78.1 | 5.9 | 0 | 0 | 0 | 122.6 | |||||
| 951 | I | 30 | Very low | 33.7 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | trans | 83.1 | 89.4 | 142.1 | -65.2 | 164.4 | 0 | 0 | 0 | 117.6 | ||||
| 952 | S | 31.5 | Very low | 33.7 | Very low | 94 Ų | 94 | 125.4 Ų | 125.4 | 66% | 0.657 | 71% | 0.71 | S | S | * | * | 85.6 | 147.8 | 127.4 | 79.7 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 953 | N | 34.3 | Very low | 33.8 | Very low | 150 Ų | 150 | 123.4 Ų | 123.4 | 80% | 0.802 | 72% | 0.717 | S | S | * | * | trans | 69.8 | 100.3 | 145 | -72 | 2.9 | 0 | 0 | 0 | 121.3 | ||||
| 954 | S | 35 | Very low | 33.9 | Very low | 92 Ų | 92 | 124.7 Ų | 124.7 | 64% | 0.643 | 72% | 0.723 | S | S | * | * | 105.7 | 106.1 | 105.7 | -157.8 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 955 | N | 34.7 | Very low | 34 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | trans | 79.3 | 137.4 | 130.7 | -70.6 | -0.1 | 0 | 0 | 0 | 123.4 | ||||
| 956 | N | 36.5 | Very low | 34.1 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | trans | 80.3 | 102.6 | 146 | -63.4 | -11.4 | 0 | 0 | 0 | 120.5 | ||||
| 957 | N | 36.2 | Very low | 34.2 | Very low | 152 Ų | 152 | 128.1 Ų | 128.1 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | 42.7 | 128.4 | 118.6 | -55.1 | -10.9 | 0 | 0 | 0 | 119.4 | |||||
| 958 | S | 37 | Very low | 34.2 | Very low | 98 Ų | 98 | 128.5 Ų | 128.5 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | 176.2 | 126.7 | 93.4 | -161.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 959 | N | 36.9 | Very low | 34.4 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | trans | 56.7 | 130.3 | 136.3 | -67.6 | 0.6 | 0 | 0 | 0 | 125.2 | ||||
| 960 | N | 38.1 | Very low | 34.4 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 66% | 0.663 | 76% | 0.756 | S | S | * | * | 104.9 | 119.9 | 124.7 | -75.6 | 2.1 | 0 | 0 | 0 | 123.5 | |||||
| 961 | N | 37.3 | Very low | 34.7 | Very low | 147 Ų | 147 | 130 Ų | 130 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | 73.2 | 110.1 | 129.8 | -60.8 | -8.5 | 0 | 0 | 0 | 122.7 | |||||
| 962 | G | 33.2 | Very low | 34.9 | Very low | 83 Ų | 83 | 129.3 Ų | 129.3 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | 112.7 | 149.1 | 101.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 963 | G | 33.6 | Very low | 35.2 | Very low | 74 Ų | 74 | 132 Ų | 132 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | trans | 125.9 | 80.8 | 155.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 964 | N | 33.8 | Very low | 35.3 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | trans | -13.5 | 140.6 | 150.5 | -47.2 | -11.4 | 0 | 0 | 0 | 118.8 | ||||
| 965 | N | 35.4 | Very low | 35.4 | Very low | 161 Ų | 161 | 130.6 Ų | 130.6 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | 179.7 | 172.4 | 94.5 | -101.3 | -19.3 | 0 | 0 | 0 | 113.8 | |||||
| 966 | S | 33.1 | Very low | 35.5 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | -136.8 | 152.4 | -172.6 | 56.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 967 | E | 34.4 | Very low | 35.5 | Very low | 189 Ų | 189 | 130 Ų | 130 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | -161.2 | 172.1 | 150.4 | -123.3 | 166 | -156.4 | 0 | 0 | 114.6 | ||||
| 968 | N | 32.4 | Very low | 35.5 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | trans | -111 | 168 | -168.2 | -57.8 | -71.3 | 0 | 0 | 0 | 112.9 | ||||
| 969 | N | 35.4 | Very low | 35.3 | Very low | 152 Ų | 152 | 130 Ų | 130 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | 170.5 | 167.4 | 111.3 | -88.4 | -53.3 | 0 | 0 | 0 | 115.1 | |||||
| 970 | N | 33.3 | Very low | 35.3 | Very low | 146 Ų | 146 | 129.5 Ų | 129.5 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | trans | -89 | 173.5 | -178 | -58.9 | -65.3 | 0 | 0 | 0 | 113.5 | ||||
| 971 | V | 36.5 | Very low | 35 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | -174.3 | 133.5 | 120.2 | 144.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 972 | N | 35.1 | Very low | 35 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | trans | -24.7 | 173.1 | 167.5 | -48.9 | -20.6 | 0 | 0 | 0 | 124.8 | ||||
| 973 | N | 37 | Very low | 34.9 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | trans | 95.5 | 147.9 | 144.9 | -75.3 | -7.6 | 0 | 0 | 0 | 121.1 | ||||
| 974 | S | 36.4 | Very low | 35 | Very low | 78 Ų | 78 | 136.7 Ų | 136.7 | 55% | 0.545 | 75% | 0.751 | S | S | . | * | cis | -174.9 | 170.9 | -29.5 | 53.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 975 | N | 36.5 | Very low | 34.7 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | 70.9 | 152.3 | 162.5 | -55.9 | -15.6 | 0 | 0 | 0 | 116.5 | ||||
| 976 | N | 38 | Very low | 34.7 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | cis | -170.5 | 171.6 | -9.2 | -100.5 | -2.9 | 0 | 0 | 0 | 106.4 | ||||
| 977 | T | 36.7 | Very low | 34.5 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 72% | 0.718 | 74% | 0.741 | S | S | * | * | cis | -173.9 | 164.8 | -5.2 | 25.2 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 978 | S | 35.2 | Very low | 34.3 | Very low | 83 Ų | 83 | 133.9 Ų | 133.9 | 58% | 0.58 | 74% | 0.737 | S | S | * | * | cis | -178 | 155.9 | -13 | 52.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 979 | H | 34 | Very low | 34.2 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | trans | 68.2 | 153.7 | 161.9 | -61.7 | -58.8 | 0 | 0 | 0 | 118.8 | ||||
| 980 | T | 36 | Very low | 34.1 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | cis | -139.9 | 162.4 | 5.9 | -17.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 981 | N | 32.1 | Very low | 34 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | -74.8 | 166.5 | -179.1 | -36.3 | -42.8 | 0 | 0 | 0 | 113.1 | ||||
| 982 | D | 37.5 | Very low | 33.7 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | -163.3 | 167.5 | 99.4 | -127.5 | -21.6 | 0 | 0 | 0 | 115 | |||||
| 983 | S | 31.3 | Very low | 33.5 | Very low | 85 Ų | 85 | 137 Ų | 137 | 59% | 0.594 | 75% | 0.749 | S | S | * | * | trans | -152.3 | 146.9 | -167.9 | 65 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 984 | K | 34.9 | Very low | 33.3 | Very low | 197 Ų | 197 | 138.9 Ų | 138.9 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | trans | -173.6 | 132.9 | 154.5 | -93.9 | 135.3 | -170.8 | 169.5 | 0 | 107.9 | ||||
| 985 | I | 27.9 | Very low | 33 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 67% | 0.672 | 77% | 0.765 | S | S | * | * | cis | 80.8 | 97.4 | 34.2 | -54.6 | 170.7 | 0 | 0 | 0 | 114.1 | ||||
| 986 | T | 34.7 | Very low | 32.9 | Very low | 133 Ų | 133 | 143.6 Ų | 143.6 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | 177.6 | 107.4 | 135.1 | 31.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 987 | N | 28.4 | Very low | 32.4 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | 72.7 | 123.6 | 65.7 | -74.6 | -1.3 | 0 | 0 | 0 | 116.3 | |||||
| 988 | N | 31.4 | Very low | 32.1 | Very low | 152 Ų | 152 | 147.9 Ų | 147.9 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 70.8 | 143.4 | 157.1 | -59 | -14.1 | 0 | 0 | 0 | 118.2 | ||||
| 989 | S | 29.2 | Very low | 31.9 | Very low | 104 Ų | 104 | 150.7 Ų | 150.7 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | cis | -169.7 | 140.1 | -12.5 | 49 | 0 | 0 | 0 | 0 | 112 | ||||
| 990 | K | 34.8 | Very low | 31.6 | Very low | 219 Ų | 219 | 151.3 Ų | 151.3 | 95% | 0.952 | 79% | 0.79 | S | S | * | * | trans | -172.7 | 144 | 141.9 | -105.2 | 160 | -173.2 | 176.9 | 0 | 109.9 | ||||
| 991 | Q | 29.7 | Very low | 31.3 | Very low | 197 Ų | 197 | 153.2 Ų | 153.2 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -141.1 | 114.9 | -157.7 | -175.6 | 179.9 | 13.6 | 0 | 0 | 111.8 | ||||
| 992 | S | 31.6 | Very low | 31.1 | Very low | 110 Ų | 110 | 154.3 Ų | 154.3 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 176.2 | 136.5 | 171.6 | -163.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 993 | L | 30 | Very low | 30.9 | Very low | 136 Ų | 136 | 150.9 Ų | 150.9 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | cis | -153.1 | 137.9 | 10.5 | -171.1 | 65.5 | 0 | 0 | 0 | 111.2 | ||||
| 994 | K | 33 | Very low | 31 | Very low | 189 Ų | 189 | 152.4 Ų | 152.4 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | 61.4 | 133.2 | 160.8 | -75.2 | 170.4 | -179 | -178.1 | 0 | 120.6 | ||||
| 995 | E | 30.7 | Very low | 30.7 | Very low | 184 Ų | 184 | 151 Ų | 151 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 155.6 | 173.5 | -59.4 | 152.9 | 113.1 | 0 | 0 | 112.5 | ||
| 996 | P | 33.2 | Very low | 30.8 | Very low | 129 Ų | 129 | 149.5 Ų | 149.5 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 130.1 | 166.9 | 32.2 | -32.2 | 0 | 0 | 0 | 111.5 | ||
| 997 | L | 29.1 | Very low | 30.9 | Very low | 161 Ų | 161 | 150.1 Ų | 150.1 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 136.7 | -174 | -128.4 | 161.9 | 0 | 0 | 0 | 112.6 | L999 | L997-L999 PolarHBondContact O-N 2.94Å; L997-L999 VanDerWaalsContact O-N 3.09Å |
| 998 | H | 28.7 | Very low | 31.6 | Very low | 180 Ų | 180 | 146.5 Ų | 146.5 | 83% | 0.833 | 77% | 0.767 | S | S | * | * | trans | -71.8 | 97.2 | -175.4 | -137.7 | -87.6 | 0 | 0 | 0 | 112.1 | ||||
| 999 | L | 30.9 | Very low | 32.4 | Very low | 141 Ų | 141 | 145.2 Ų | 145.2 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -114.1 | 116.8 | -179.8 | -112.7 | 159.8 | 0 | 0 | 0 | 111.9 | L997 F1001 | L997-L999 PolarHBondContact O-N 2.94Å; L997-L999 VanDerWaalsContact O-N 3.09Å; L999-F1001 PolarHBondContact O-N 3.07Å; L999-F1001 VanDerWaalsContact O-N 3.11Å | ||
| 1000 | K | 27.7 | Very low | 33.1 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 79% | 0.787 | 75% | 0.75 | S | S | * | * | trans | -75.3 | 93.9 | -174.4 | -67.8 | 178.4 | 178.9 | 174.3 | 0 | 112.1 | N1002 | K1000-N1002 VanDerWaalsContact C-N 3.26Å; K1000-N1002 PolarHBondContact O-N 3.3Å | ||
| 1001 | F | 30.6 | Very low | 33.7 | Very low | 165 Ų | 165 | 140 Ų | 140 | 72% | 0.724 | 73% | 0.73 | S | S | * | * | trans | -74.8 | 71.7 | 171.8 | -100.6 | -81.7 | 0 | 0 | 0 | 113.2 | L999 S1003 | L999-F1001 PolarHBondContact O-N 3.07Å; L999-F1001 VanDerWaalsContact O-N 3.11Å; F1001-S1003 VanDerWaalsContact C-N 3.31Å; F1001-S1003 PolarHBondContact O-N 2.71Å | ||
| 1002 | N | 28.6 | Very low | 35.1 | Very low | 160 Ų | 160 | 135 Ų | 135 | 86% | 0.856 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 65.9 | 169.2 | -88.2 | -3.6 | 0 | 0 | 0 | 111.3 | K1000 | K1000-N1002 VanDerWaalsContact C-N 3.26Å; K1000-N1002 PolarHBondContact O-N 3.3Å |
| 1003 | S | 32.4 | Very low | 36.1 | Very low | 86 Ų | 86 | 133.2 Ų | 133.2 | 60% | 0.601 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142 | 7.4 | 173.6 | 60.5 | 0 | 0 | 0 | 0 | 115.5 | F1001 K1005 | F1001-S1003 VanDerWaalsContact C-N 3.31Å; F1001-S1003 PolarHBondContact O-N 2.71Å; S1003-K1005 PolarHBondContact O-N 3.14Å |
| 1004 | S | 33.4 | Very low | 37.5 | Very low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | trans | -80.7 | 42.8 | -178.1 | -50.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1005 | K | 28.8 | Very low | 38.7 | Very low | 169 Ų | 169 | 130.1 Ų | 130.1 | 74% | 0.735 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -123 | 134 | 172.3 | -75 | -171.3 | 175 | -174.3 | 0 | 109.8 | S1003 | S1003-K1005 PolarHBondContact O-N 3.14Š|
| 1006 | S | 30.3 | Very low | 40.3 | Very low | 99 Ų | 99 | 127 Ų | 127 | 69% | 0.692 | 66% | 0.662 | S | S | * | * | trans | 47.8 | 99.2 | -172.1 | 56.9 | 0 | 0 | 0 | 0 | 115.5 | T1008 | S1006-T1008 PolarHBondContact O-N 2.99Š| ||
| 1007 | I | 36.8 | Very low | 41.6 | Very low | 145 Ų | 145 | 125.1 Ų | 125.1 | 74% | 0.744 | 64% | 0.644 | S | S | * | * | -57 | 115.4 | 128.4 | -67.4 | 171.4 | 0 | 0 | 0 | 104.4 | I1012 | I1007-I1012 HydrophobicContact CG2-CG1 4.44Š| |||
| 1008 | T | 42.9 | Very low | 43.1 | Very low | 52 Ų | 52 | 124.5 Ų | 124.5 | 32% | 0.319 | 63% | 0.632 | S | S | . | * | trans | -63.9 | 142.7 | -173.6 | 48.9 | 0 | 0 | 0 | 0 | 110.2 | S1006 D1010 H1011 | S1006-T1008 PolarHBondContact O-N 2.99Å; T1008-D1010 PolarHBondContact O-N 3.39Å; T1008-D1010 VanDerWaalsContact O-N 3.16Å; T1008-H1011 PolarHBondContact O-N 3.02Å; T1008-H1011 VanDerWaalsContact O-N 3.12Å | ||
| 1009 | I | 48.8 | Very low | 44.9 | Very low | 125 Ų | 125 | 123.9 Ų | 123.9 | 64% | 0.641 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -57.3 | -30.9 | 175.5 | -66.3 | 173.4 | 0 | 0 | 0 | 109.5 | H1011 I1012 N1013 | I1009-H1011 PolarHBondContact O-N 3.22Å; I1009-I1012 PolarHBondContact O-N 3.03Å; I1009-N1013 VanDerWaalsContact O-CG 3.23Å; I1009-N1013 PolarHBondContact O-N 3.11Å; I1009-N1013 PolarHBondContact O-ND2 2.91Å |
| 1010 | D | 44.2 | Very low | 46.5 | Very low | 102 Ų | 102 | 121.4 Ų | 121.4 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -57.6 | -44.8 | 175.2 | -47.9 | -67.7 | 0 | 0 | 0 | 113.5 | T1008 I1012 N1013 E1014 | T1008-D1010 PolarHBondContact O-N 3.39Å; T1008-D1010 VanDerWaalsContact O-N 3.16Å; D1010-I1012 VanDerWaalsContact C-N 3.31Å; D1010-I1012 PolarHBondContact O-N 2.94Å; D1010-N1013 CarbonylContact O-C 3.49Å; D1010-N1013 WeakPolarHBondContact O-CB 3.26Å; D1010-N1013 PolarHBondContact O-N 3.41Å; D1010-E1014 WeakPolarHBondContact O-CB 3.44Å; D1010-E1014 WeakPolarHBondContact O-CG 3.25Å; D1010-E1014 PolarHBondContact O-N 2.75Å |
| 1011 | H | 47.3 | Very low | 48.2 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 52% | 0.523 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.9 | -29.8 | 178 | -87.8 | -19 | 0 | 0 | 0 | 113.1 | T1008 I1009 E1014 M1015 | T1008-H1011 PolarHBondContact O-N 3.02Å; T1008-H1011 VanDerWaalsContact O-N 3.12Å; I1009-H1011 PolarHBondContact O-N 3.22Å; H1011-E1014 IonicContact CE1-OE2 3.3Å; H1011-E1014 IonicContact CG-OE2 3.78Å; H1011-E1014 IonicContact ND1-OE2 3.57Å; H1011-E1014 PolarHBondContact ND1-OE2 3.31Å; H1011-M1015 WeakPolarHBondContact O-CG 3.43Å; H1011-M1015 PolarHBondContact O-N 3.29Å; H1011-M1015 VanDerWaalsContact O-N 3.14Å |
| 1012 | I | 58.2 | Low | 49.8 | Very low | 91 Ų | 91 | 115.8 Ų | 115.8 | 47% | 0.467 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70 | -47.3 | 172.6 | -61 | 176.5 | 0 | 0 | 0 | 109.2 | I1007 I1009 D1010 E1014 M1015 E1016 | I1007-I1012 HydrophobicContact CG2-CG1 4.44Å; I1009-I1012 PolarHBondContact O-N 3.03Å; D1010-I1012 VanDerWaalsContact C-N 3.31Å; D1010-I1012 PolarHBondContact O-N 2.94Å; I1012-E1014 VanDerWaalsContact C-N 3.31Å; I1012-E1014 PolarHBondContact O-N 2.91Å; I1012-M1015 PolarHBondContact O-N 3.44Å; I1012-E1016 PolarHBondContact O-N 3.41Å |
| 1013 | N | 52.6 | Low | 51.5 | Low | 72 Ų | 72 | 112.3 Ų | 112.3 | 39% | 0.385 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -58 | -40.4 | 174.8 | -67.1 | -22.3 | 0 | 0 | 0 | 112.2 | I1009 D1010 E1016 L1017 | I1009-N1013 VanDerWaalsContact O-CG 3.23Å; I1009-N1013 PolarHBondContact O-N 3.11Å; I1009-N1013 PolarHBondContact O-ND2 2.91Å; D1010-N1013 CarbonylContact O-C 3.49Å; D1010-N1013 WeakPolarHBondContact O-CB 3.26Å; D1010-N1013 PolarHBondContact O-N 3.41Å; N1013-E1016 PolarHBondContact O-N 3.4Å; N1013-L1017 VanDerWaalsContact O-CB 3.28Å; N1013-L1017 WeakPolarHBondContact O-CB 3.41Å; N1013-L1017 WeakPolarHBondContact O-CG 3.5Å; N1013-L1017 PolarHBondContact O-N 2.93Å |
| 1014 | E | 58.9 | Low | 52.8 | Low | 112 Ų | 112 | 109 Ų | 109 | 52% | 0.523 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.9 | -42.8 | 176.2 | -78.7 | -175 | 129.2 | 0 | 0 | 112.1 | D1010 H1011 I1012 L1017 Y1018 | D1010-E1014 WeakPolarHBondContact O-CB 3.44Å; D1010-E1014 WeakPolarHBondContact O-CG 3.25Å; D1010-E1014 PolarHBondContact O-N 2.75Å; H1011-E1014 IonicContact CE1-OE2 3.3Å; H1011-E1014 IonicContact CG-OE2 3.78Å; H1011-E1014 IonicContact ND1-OE2 3.57Å; H1011-E1014 PolarHBondContact ND1-OE2 3.31Å; I1012-E1014 VanDerWaalsContact C-N 3.31Å; I1012-E1014 PolarHBondContact O-N 2.91Å; E1014-L1017 PolarHBondContact O-N 3.16Å; E1014-Y1018 WeakPolarHBondContact O-CB 3.41Å; E1014-Y1018 PolarHBondContact O-N 2.96Å |
| 1015 | M | 59.5 | Low | 54.1 | Low | 149 Ų | 149 | 108 Ų | 108 | 73% | 0.734 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.9 | -38.8 | 175.8 | -73.8 | -162.3 | -179.2 | 0 | 0 | 112.2 | H1011 I1012 R1019 | H1011-M1015 WeakPolarHBondContact O-CG 3.43Å; H1011-M1015 PolarHBondContact O-N 3.29Å; H1011-M1015 VanDerWaalsContact O-N 3.14Å; I1012-M1015 PolarHBondContact O-N 3.44Å; M1015-R1019 VanDerWaalsContact O-CB 3.3Å; M1015-R1019 WeakPolarHBondContact O-CB 3.42Å; M1015-R1019 PolarHBondContact O-N 2.9Å |
| 1016 | E | 63.9 | Low | 55.8 | Low | 117 Ų | 117 | 105 Ų | 105 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.5 | -48.3 | 173.6 | -68.7 | -167.3 | 165.4 | 0 | 0 | 111.5 | I1012 N1013 Y1018 R1019 E1020 | I1012-E1016 PolarHBondContact O-N 3.41Å; N1013-E1016 PolarHBondContact O-N 3.4Å; E1016-Y1018 VanDerWaalsContact C-N 3.29Å; E1016-Y1018 PolarHBondContact O-N 3.35Å; E1016-R1019 WeakPolarHBondContact O-CB 3.26Å; E1016-R1019 PolarHBondContact O-N 3.17Å; E1016-R1019 VanDerWaalsContact O-N 3.11Å; E1016-E1020 PolarHBondContact O-N 3.49Å |
| 1017 | L | 59.3 | Low | 57.5 | Low | 91 Ų | 91 | 101.4 Ų | 101.4 | 48% | 0.476 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.6 | -30.4 | 176.8 | -72.9 | 168.4 | 0 | 0 | 0 | 113.3 | N1013 E1014 R1021 | N1013-L1017 VanDerWaalsContact O-CB 3.28Å; N1013-L1017 WeakPolarHBondContact O-CB 3.41Å; N1013-L1017 WeakPolarHBondContact O-CG 3.5Å; N1013-L1017 PolarHBondContact O-N 2.93Å; E1014-L1017 PolarHBondContact O-N 3.16Å; L1017-R1021 VanDerWaalsContact O-CB 3.27Å; L1017-R1021 WeakPolarHBondContact O-CB 3.5Å; L1017-R1021 PolarHBondContact O-N 3.16Å; L1017-R1021 VanDerWaalsContact O-N 3.15Å |
| 1018 | Y | 61.9 | Low | 58.7 | Low | 148 Ų | 148 | 97.6 Ų | 97.6 | 58% | 0.58 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -72.4 | -40.2 | 172.7 | -178.3 | -108.3 | 0 | 0 | 0 | 111.4 | E1014 E1016 R1021 I1022 | E1014-Y1018 WeakPolarHBondContact O-CB 3.41Å; E1014-Y1018 PolarHBondContact O-N 2.96Å; E1016-Y1018 VanDerWaalsContact C-N 3.29Å; E1016-Y1018 PolarHBondContact O-N 3.35Å; Y1018-R1021 WeakPolarHBondContact O-CB 3.4Å; Y1018-R1021 PolarHBondContact O-N 3.41Å; Y1018-I1022 HydrophobicContact CD1-CD1 3.96Å; Y1018-I1022 HydrophobicContact CE1-CD1 3.43Å; Y1018-I1022 VanDerWaalsContact CE1-CD1 3.43Å; Y1018-I1022 HydrophobicContact CE1-CG1 4.39Å; Y1018-I1022 HydrophobicContact CE2-CD1 4.48Å; Y1018-I1022 PolarHBondContact O-N 3.44Å |
| 1019 | R | 65.9 | Low | 60 | Low | 167 Ų | 167 | 100.6 Ų | 100.6 | 63% | 0.63 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.7 | -48.9 | 175.6 | -168.7 | 179.1 | -167.9 | 153.7 | 8 | 111.8 | M1015 E1016 R1021 I1022 E1023 | M1015-R1019 VanDerWaalsContact O-CB 3.3Å; M1015-R1019 WeakPolarHBondContact O-CB 3.42Å; M1015-R1019 PolarHBondContact O-N 2.9Å; E1016-R1019 WeakPolarHBondContact O-CB 3.26Å; E1016-R1019 PolarHBondContact O-N 3.17Å; E1016-R1019 VanDerWaalsContact O-N 3.11Å; R1019-R1021 PolarHBondContact O-N 3Å; R1019-I1022 PolarHBondContact O-N 2.89Å; R1019-I1022 VanDerWaalsContact O-N 3.16Å; R1019-E1023 WeakPolarHBondContact CG-OE1 3.39Å; R1019-E1023 IonicContact NE-OE1 2.76Å; R1019-E1023 PolarHBondContact NE-OE1 2.96Å; R1019-E1023 WeakPolarHBondContact O-CB 3.34Å; R1019-E1023 WeakPolarHBondContact O-CG 3.34Å; R1019-E1023 PolarHBondContact O-N 2.97Å |
| 1020 | E | 64.9 | Low | 61.1 | Low | 88 Ų | 88 | 96.6 Ų | 96.6 | 41% | 0.411 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -55.4 | -36 | 171.3 | -73.5 | -167.6 | 161.6 | 0 | 0 | 112 | E1016 C1024 | E1016-E1020 PolarHBondContact O-N 3.49Å; E1020-C1024 WeakPolarHBondContact O-CB 3.13Å; E1020-C1024 PolarHBondContact O-N 2.95Å |
| 1021 | R | 63.1 | Low | 62.7 | Low | 162 Ų | 162 | 92.3 Ų | 92.3 | 61% | 0.611 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.9 | -42.6 | 178.3 | -169 | -174.7 | -54.7 | -164.2 | 4.5 | 112.1 | L1017 Y1018 R1019 H1025 | L1017-R1021 VanDerWaalsContact O-CB 3.27Å; L1017-R1021 WeakPolarHBondContact O-CB 3.5Å; L1017-R1021 PolarHBondContact O-N 3.16Å; L1017-R1021 VanDerWaalsContact O-N 3.15Å; Y1018-R1021 WeakPolarHBondContact O-CB 3.4Å; Y1018-R1021 PolarHBondContact O-N 3.41Å; R1019-R1021 PolarHBondContact O-N 3Å; R1021-H1025 VanDerWaalsContact O-CB 3.29Å; R1021-H1025 WeakPolarHBondContact O-CB 3.45Å; R1021-H1025 PolarHBondContact O-N 2.93Å |
| 1022 | I | 64.1 | Low | 64.2 | Low | 66 Ų | 66 | 95.4 Ų | 95.4 | 34% | 0.338 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.4 | -50.1 | 173.6 | -69.6 | 172.1 | 0 | 0 | 0 | 110.2 | Y1018 R1019 C1024 H1025 H1026 | Y1018-I1022 HydrophobicContact CD1-CD1 3.96Å; Y1018-I1022 HydrophobicContact CE1-CD1 3.43Å; Y1018-I1022 VanDerWaalsContact CE1-CD1 3.43Å; Y1018-I1022 HydrophobicContact CE1-CG1 4.39Å; Y1018-I1022 HydrophobicContact CE2-CD1 4.48Å; Y1018-I1022 PolarHBondContact O-N 3.44Å; R1019-I1022 PolarHBondContact O-N 2.89Å; R1019-I1022 VanDerWaalsContact O-N 3.16Å; I1022-C1024 PolarHBondContact O-N 3.44Å; I1022-H1025 WeakPolarHBondContact O-CB 3.22Å; I1022-H1025 PolarHBondContact O-N 3.47Å; I1022-H1025 VanDerWaalsContact O-N 3.11Å; I1022-H1026 PolarHBondContact O-CD2 3.31Å; I1022-H1026 PolarHBondContact O-N 3.43Å |
| 1023 | E | 64.5 | Low | 65.4 | Low | 87 Ų | 87 | 91.6 Ų | 91.6 | 41% | 0.407 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.7 | -49.4 | -177.7 | -71.1 | 171.5 | -173.7 | 0 | 0 | 110.2 | R1019 H1025 H1026 E1027 | R1019-E1023 WeakPolarHBondContact CG-OE1 3.39Å; R1019-E1023 IonicContact NE-OE1 2.76Å; R1019-E1023 PolarHBondContact NE-OE1 2.96Å; R1019-E1023 WeakPolarHBondContact O-CB 3.34Å; R1019-E1023 WeakPolarHBondContact O-CG 3.34Å; R1019-E1023 PolarHBondContact O-N 2.97Å; E1023-H1025 VanDerWaalsContact C-N 3.29Å; E1023-H1025 PolarHBondContact O-N 2.89Å; E1023-H1026 PolarHBondContact O-N 2.86Å; E1023-H1026 VanDerWaalsContact O-N 3.12Å; E1023-E1027 WeakPolarHBondContact O-CG 3.19Å; E1023-E1027 PolarHBondContact O-N 3.31Å |
| 1024 | C | 59.4 | Low | 66.9 | Low | 16 Ų | 16 | 89 Ų | 89 | 11% | 0.108 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.7 | -32.3 | 174.4 | 178.9 | 0 | 0 | 0 | 0 | 113.6 | R216 E1020 I1022 S1028 | R216-C1024 PolarHBondContact NH2-SG 2.93Å; E1020-C1024 WeakPolarHBondContact O-CB 3.13Å; E1020-C1024 PolarHBondContact O-N 2.95Å; I1022-C1024 PolarHBondContact O-N 3.44Å; C1024-S1028 WeakPolarHBondContact O-CB 3.22Å; C1024-S1028 PolarHBondContact O-N 3.26Å; C1024-S1028 PolarHBondContact O-OG 2.91Å |
| 1025 | H | 60 | Low | 68.3 | Low | 96 Ų | 96 | 85.8 Ų | 85.8 | 44% | 0.444 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -72.8 | -38.9 | 175 | -179.5 | -144 | 0 | 0 | 0 | 112 | R1021 I1022 E1023 S1028 K1029 | R1021-H1025 VanDerWaalsContact O-CB 3.29Å; R1021-H1025 WeakPolarHBondContact O-CB 3.45Å; R1021-H1025 PolarHBondContact O-N 2.93Å; I1022-H1025 WeakPolarHBondContact O-CB 3.22Å; I1022-H1025 PolarHBondContact O-N 3.47Å; I1022-H1025 VanDerWaalsContact O-N 3.11Å; E1023-H1025 VanDerWaalsContact C-N 3.29Å; E1023-H1025 PolarHBondContact O-N 2.89Å; H1025-S1028 PolarHBondContact O-N 3.46Å; H1025-K1029 WeakPolarHBondContact NE2-CE 3.25Å; H1025-K1029 PolarHBondContact O-N 3.09Å |
| 1026 | H | 64.8 | Low | 69.7 | Low | 106 Ų | 106 | 81 Ų | 81 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.1 | -42 | 173.7 | -75.9 | -149.9 | 0 | 0 | 0 | 111 | I1022 E1023 S1028 K1029 A1030 | I1022-H1026 PolarHBondContact O-CD2 3.31Å; I1022-H1026 PolarHBondContact O-N 3.43Å; E1023-H1026 PolarHBondContact O-N 2.86Å; E1023-H1026 VanDerWaalsContact O-N 3.12Å; H1026-S1028 VanDerWaalsContact C-N 3.33Å; H1026-S1028 PolarHBondContact O-N 2.98Å; H1026-K1029 WeakPolarHBondContact O-CB 3.46Å; H1026-K1029 PolarHBondContact O-N 3.43Å; H1026-A1030 PolarHBondContact O-N 3.43Å |
| 1027 | E | 65.6 | Low | 71 | Confident | 25 Ų | 25 | 75.4 Ų | 75.4 | 12% | 0.117 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63 | -36.6 | 173.2 | -70.8 | -165.5 | 124.6 | 0 | 0 | 113.1 | R118 A121 I128 E1023 K1029 A1030 A1031 | R118-E1027 IonicContact CZ-OE1 3.08Å; R118-E1027 IonicContact NH1-OE1 3.49Å; R118-E1027 PolarHBondContact NH1-OE1 2.93Å; A121-E1027 WeakPolarHBondContact CB-OE1 3.44Å; I128-E1027 WeakPolarHBondContact CD1-OE2 3.4Å; E1023-E1027 WeakPolarHBondContact O-CG 3.19Å; E1023-E1027 PolarHBondContact O-N 3.31Å; E1027-K1029 VanDerWaalsContact C-N 3.3Å; E1027-K1029 PolarHBondContact O-N 2.96Å; E1027-A1030 PolarHBondContact O-N 2.78Å; E1027-A1031 WeakPolarHBondContact O-CB 3.38Å; E1027-A1031 PolarHBondContact O-N 2.83Å |
| 1028 | S | 63.7 | Low | 72.4 | Confident | 65 Ų | 65 | 71.4 Ų | 71.4 | 46% | 0.455 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.5 | -36 | 175.1 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | C1024 H1025 H1026 R1032 | C1024-S1028 WeakPolarHBondContact O-CB 3.22Å; C1024-S1028 PolarHBondContact O-N 3.26Å; C1024-S1028 PolarHBondContact O-OG 2.91Å; H1025-S1028 PolarHBondContact O-N 3.46Å; H1026-S1028 VanDerWaalsContact C-N 3.33Å; H1026-S1028 PolarHBondContact O-N 2.98Å; S1028-R1032 PolarHBondContact O-N 3.22Å |
| 1029 | K | 68.8 | Low | 73.8 | Confident | 115 Ų | 115 | 67.6 Ų | 67.6 | 50% | 0.5 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.8 | -40.1 | 172.2 | -66.9 | 176 | -179.9 | -179.4 | 0 | 111.9 | H1025 H1026 E1027 R1032 T1033 | H1025-K1029 WeakPolarHBondContact NE2-CE 3.25Å; H1025-K1029 PolarHBondContact O-N 3.09Å; H1026-K1029 WeakPolarHBondContact O-CB 3.46Å; H1026-K1029 PolarHBondContact O-N 3.43Å; E1027-K1029 VanDerWaalsContact C-N 3.3Å; E1027-K1029 PolarHBondContact O-N 2.96Å; K1029-R1032 PolarHBondContact O-N 3.24Å; K1029-T1033 PolarHBondContact O-N 2.94Å; K1029-T1033 PolarHBondContact O-OG1 3.43Å |
| 1030 | A | 72.7 | Confident | 75.1 | Confident | 40 Ų | 40 | 60.8 Ų | 60.8 | 33% | 0.331 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | H1026 E1027 R1032 T1033 L1034 | H1026-A1030 PolarHBondContact O-N 3.43Å; E1027-A1030 PolarHBondContact O-N 2.78Å; A1030-R1032 VanDerWaalsContact C-N 3.33Å; A1030-R1032 PolarHBondContact O-N 3.49Å; A1030-T1033 WeakPolarHBondContact O-CB 3.36Å; A1030-T1033 PolarHBondContact O-N 2.96Å; A1030-L1034 WeakPolarHBondContact O-CG 3.48Å; A1030-L1034 PolarHBondContact O-N 3.39Å |
| 1031 | A | 76.9 | Confident | 76.5 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 11% | 0.107 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.3 | -42.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I122 E1027 T1033 L1034 S1035 | I122-A1031 HydrophobicContact CD1-CB 3.94Å; E1027-A1031 WeakPolarHBondContact O-CB 3.38Å; E1027-A1031 PolarHBondContact O-N 2.83Å; A1031-T1033 VanDerWaalsContact C-N 3.31Å; A1031-T1033 PolarHBondContact O-N 3.41Å; A1031-L1034 PolarHBondContact O-N 2.88Å; A1031-S1035 PolarHBondContact O-N 3.44Å; A1031-S1035 PolarHBondContact O-OG 2.91Å |
| 1032 | R | 79.3 | Confident | 78 | Confident | 177 Ų | 177 | 50.2 Ų | 50.2 | 67% | 0.668 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.1 | -42 | 173.8 | -177.4 | -179.7 | 177.1 | -171.1 | -1.9 | 112.3 | S1028 K1029 A1030 L1034 S1035 I1036 | S1028-R1032 PolarHBondContact O-N 3.22Å; K1029-R1032 PolarHBondContact O-N 3.24Å; A1030-R1032 VanDerWaalsContact C-N 3.33Å; A1030-R1032 PolarHBondContact O-N 3.49Å; R1032-L1034 VanDerWaalsContact C-N 3.35Å; R1032-S1035 PolarHBondContact O-N 2.92Å; R1032-I1036 HydrophobicContact CG-CD1 4.29Å; R1032-I1036 WeakPolarHBondContact O-CG1 3.38Å; R1032-I1036 PolarHBondContact O-N 3.22Å; R1032-I1036 VanDerWaalsContact O-N 3.13Å |
| 1033 | T | 83.8 | Confident | 79.4 | Confident | 11 Ų | 11 | 53.3 Ų | 53.3 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 178.3 | -54.8 | 0 | 0 | 0 | 0 | 111.3 | K1029 A1030 A1031 I1036 I1037 I1086 F1090 | K1029-T1033 PolarHBondContact O-N 2.94Å; K1029-T1033 PolarHBondContact O-OG1 3.43Å; A1030-T1033 WeakPolarHBondContact O-CB 3.36Å; A1030-T1033 PolarHBondContact O-N 2.96Å; A1031-T1033 VanDerWaalsContact C-N 3.31Å; A1031-T1033 PolarHBondContact O-N 3.41Å; T1033-I1036 WeakPolarHBondContact O-CB 3.49Å; T1033-I1036 PolarHBondContact O-N 3.45Å; T1033-I1037 HydrophobicContact CG2-CD1 4.3Å; T1033-I1037 WeakPolarHBondContact O-CG1 3.41Å; T1033-I1037 PolarHBondContact O-N 3.48Å; T1033-I1086 HydrophobicContact CG2-CG2 4.17Å; T1033-F1090 HydrophobicContact CG2-CB 3.92Å; T1033-F1090 PolarHBondContact OG1-O 2.92Å |
| 1034 | L | 84.9 | Confident | 80.9 | Confident | 17 Ų | 17 | 49.3 Ų | 49.3 | 9% | 0.089 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.1 | -32.6 | -179.4 | -64.8 | 170.2 | 0 | 0 | 0 | 112.7 | I114 R118 Y202 A1030 A1031 R1032 I1037 T1038 | I114-L1034 HydrophobicContact CG2-CD1 3.73Å; I114-L1034 HydrophobicContact CG2-CD2 3.74Å; I114-L1034 HydrophobicContact CG2-CG 4.22Å; R118-L1034 HydrophobicContact CG-CD1 3.44Å; R118-L1034 VanDerWaalsContact CG-CD1 3.44Å; Y202-L1034 PolarHBondContact OH-O 3.45Å; A1030-L1034 WeakPolarHBondContact O-CG 3.48Å; A1030-L1034 PolarHBondContact O-N 3.39Å; A1031-L1034 PolarHBondContact O-N 2.88Å; R1032-L1034 VanDerWaalsContact C-N 3.35Å; L1034-I1037 HydrophobicContact CD2-CD1 4.17Å; L1034-I1037 PolarHBondContact O-N 3.43Å; L1034-T1038 WeakPolarHBondContact O-CB 3.37Å; L1034-T1038 PolarHBondContact O-N 3.04Å; L1034-T1038 PolarHBondContact O-OG1 2.97Å |
| 1035 | S | 86.6 | Confident | 82.6 | Confident | 46 Ų | 46 | 48.8 Ų | 48.8 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 167 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | Y202 A1031 R1032 T1038 S1039 | Y202-S1035 WeakPolarHBondContact CD1-OG 3.38Å; Y202-S1035 WeakPolarHBondContact CE1-OG 3.37Å; A1031-S1035 PolarHBondContact O-N 3.44Å; A1031-S1035 PolarHBondContact O-OG 2.91Å; R1032-S1035 PolarHBondContact O-N 2.92Å; S1035-T1038 PolarHBondContact O-N 3.34Å; S1035-S1039 PolarHBondContact O-N 2.83Å; S1035-S1039 PolarHBondContact O-OG 3.24Å |
| 1036 | I | 90.3 | Very high | 84.2 | Confident | 47 Ų | 47 | 46.9 Ų | 46.9 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -45.1 | 176 | -67.8 | 163.9 | 0 | 0 | 0 | 111.1 | R1032 T1033 T1038 S1039 C1040 I1086 F1090 | R1032-I1036 HydrophobicContact CG-CD1 4.29Å; R1032-I1036 WeakPolarHBondContact O-CG1 3.38Å; R1032-I1036 PolarHBondContact O-N 3.22Å; R1032-I1036 VanDerWaalsContact O-N 3.13Å; T1033-I1036 WeakPolarHBondContact O-CB 3.49Å; T1033-I1036 PolarHBondContact O-N 3.45Å; I1036-T1038 VanDerWaalsContact C-N 3.33Å; I1036-T1038 PolarHBondContact O-N 2.75Å; I1036-S1039 PolarHBondContact O-N 2.93Å; I1036-C1040 WeakPolarHBondContact O-CB 3Å; I1036-C1040 PolarHBondContact O-N 3.48Å; I1036-I1086 HydrophobicContact CG2-CD1 4.39Å; I1036-I1086 HydrophobicContact CG2-CG1 4.42Å; I1036-I1086 HydrophobicContact CG2-CG2 3.93Å; I1036-F1090 HydrophobicContact CD1-CD1 3.72Å; I1036-F1090 HydrophobicContact CD1-CD2 4.11Å; I1036-F1090 HydrophobicContact CD1-CE1 3.79Å; I1036-F1090 HydrophobicContact CD1-CE2 4.17Å; I1036-F1090 HydrophobicContact CD1-CG 3.88Å; I1036-F1090 HydrophobicContact CD1-CZ 4.01Å; I1036-F1090 HydrophobicContact CG2-CD2 4.38Å; I1036-F1090 HydrophobicContact CG2-CE2 4.22Å |
| 1037 | I | 89.6 | Confident | 85.6 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.6 | -46.8 | 174.8 | -69 | 166.2 | 0 | 0 | 0 | 110.7 | L111 T1033 L1034 S1039 C1040 F1041 N1083 I1086 Y1087 | L111-I1037 HydrophobicContact CD2-CG2 3.68Å; T1033-I1037 HydrophobicContact CG2-CD1 4.3Å; T1033-I1037 WeakPolarHBondContact O-CG1 3.41Å; T1033-I1037 PolarHBondContact O-N 3.48Å; L1034-I1037 HydrophobicContact CD2-CD1 4.17Å; L1034-I1037 PolarHBondContact O-N 3.43Å; I1037-S1039 PolarHBondContact O-N 3.08Å; I1037-C1040 WeakPolarHBondContact O-CB 3.43Å; I1037-C1040 PolarHBondContact O-N 3.29Å; I1037-F1041 PolarHBondContact O-N 3.48Å; I1037-N1083 WeakPolarHBondContact CG2-OD1 3.48Å; I1037-I1086 HydrophobicContact CD1-CG2 4.18Å; I1037-I1086 HydrophobicContact CG1-CB 4.18Å; I1037-I1086 HydrophobicContact CG1-CD1 4.16Å; I1037-I1086 HydrophobicContact CG1-CG2 3.55Å; I1037-Y1087 HydrophobicContact CD1-CD1 4.18Å; I1037-Y1087 HydrophobicContact CD1-CE1 3.4Å; I1037-Y1087 VanDerWaalsContact CD1-CE1 3.4Å |
| 1038 | T | 89.6 | Confident | 86.9 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 179.5 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | L198 Y202 L1034 S1035 I1036 C1040 F1041 L1042 | L198-T1038 HydrophobicContact CD1-CG2 4.34Å; L198-T1038 HydrophobicContact CD2-CG2 3.69Å; L198-T1038 HydrophobicContact CG-CG2 3.83Å; Y202-T1038 HydrophobicContact CD2-CG2 3.89Å; Y202-T1038 HydrophobicContact CE2-CG2 3.63Å; Y202-T1038 WeakPolarHBondContact CE2-OG1 3.24Å; Y202-T1038 VanDerWaalsContact CZ-OG1 3.28Å; Y202-T1038 PolarHBondContact OH-OG1 2.72Å; L1034-T1038 WeakPolarHBondContact O-CB 3.37Å; L1034-T1038 PolarHBondContact O-N 3.04Å; L1034-T1038 PolarHBondContact O-OG1 2.97Å; S1035-T1038 PolarHBondContact O-N 3.34Å; I1036-T1038 VanDerWaalsContact C-N 3.33Å; I1036-T1038 PolarHBondContact O-N 2.75Å; T1038-C1040 VanDerWaalsContact C-N 3.32Å; T1038-C1040 PolarHBondContact O-N 3.22Å; T1038-F1041 PolarHBondContact O-N 2.88Å; T1038-L1042 HydrophobicContact CG2-CD1 4.26Å; T1038-L1042 WeakPolarHBondContact O-CG 3.4Å; T1038-L1042 PolarHBondContact O-N 3.25Å |
| 1039 | S | 90.6 | Very high | 88.2 | Confident | 68 Ų | 68 | 42.4 Ų | 42.4 | 48% | 0.476 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.1 | -37.9 | 174.7 | -66.1 | 0 | 0 | 0 | 0 | 112.1 | S1035 I1036 I1037 L1043 | S1035-S1039 PolarHBondContact O-N 2.83Å; S1035-S1039 PolarHBondContact O-OG 3.24Å; I1036-S1039 PolarHBondContact O-N 2.93Å; I1037-S1039 PolarHBondContact O-N 3.08Å; S1039-L1043 WeakPolarHBondContact O-CB 3.49Å; S1039-L1043 WeakPolarHBondContact O-CD1 3.32Å; S1039-L1043 VanDerWaalsContact O-CG 3.22Å; S1039-L1043 WeakPolarHBondContact O-CG 3.34Å; S1039-L1043 PolarHBondContact O-N 2.89Å |
| 1040 | C | 94.7 | Very high | 89.2 | Confident | 23 Ų | 23 | 40.3 Ų | 40.3 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -47.6 | 176.4 | -169.4 | 0 | 0 | 0 | 0 | 111.5 | I1036 I1037 T1038 L1042 L1043 C1044 F1082 I1086 | I1036-C1040 WeakPolarHBondContact O-CB 3Å; I1036-C1040 PolarHBondContact O-N 3.48Å; I1037-C1040 WeakPolarHBondContact O-CB 3.43Å; I1037-C1040 PolarHBondContact O-N 3.29Å; T1038-C1040 VanDerWaalsContact C-N 3.32Å; T1038-C1040 PolarHBondContact O-N 3.22Å; C1040-L1042 PolarHBondContact O-N 3.16Å; C1040-L1043 PolarHBondContact O-N 2.99Å; C1040-C1044 WeakPolarHBondContact O-CB 3.45Å; C1040-C1044 PolarHBondContact O-N 2.83Å; C1040-C1044 PolarHBondContact O-SG 2.86Å; C1040-F1082 WeakPolarHBondContact SG-CD2 3.43Å; C1040-I1086 HydrophobicContact CB-CD1 3.83Å |
| 1041 | F | 93.6 | Very high | 90 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.3 | -48.7 | 175.4 | 178.8 | -82.5 | 0 | 0 | 0 | 112.1 | I108 L111 F191 I1037 T1038 C1044 W1045 N1079 | I108-F1041 HydrophobicContact CB-CE1 3.87Å; I108-F1041 HydrophobicContact CB-CE2 4.39Å; I108-F1041 HydrophobicContact CB-CZ 3.62Å; I108-F1041 HydrophobicContact CD1-CE1 3.67Å; I108-F1041 HydrophobicContact CD1-CZ 4.18Å; I108-F1041 HydrophobicContact CG1-CD1 4.48Å; I108-F1041 HydrophobicContact CG1-CE1 3.7Å; I108-F1041 HydrophobicContact CG1-CZ 4.01Å; L111-F1041 HydrophobicContact CD1-CB 3.52Å; L111-F1041 HydrophobicContact CD1-CD1 3.95Å; L111-F1041 HydrophobicContact CD1-CD2 3.68Å; L111-F1041 HydrophobicContact CD1-CE2 4.46Å; L111-F1041 HydrophobicContact CD1-CG 3.41Å; L111-F1041 VanDerWaalsContact CD1-CG 3.41Å; F191-F1041 HydrophobicContact CD2-CE1 4.42Å; F191-F1041 AromaticContact CE2-CE1 3.9Å; F191-F1041 HydrophobicContact CE2-CE1 3.9Å; I1037-F1041 PolarHBondContact O-N 3.48Å; T1038-F1041 PolarHBondContact O-N 2.88Å; F1041-C1044 PolarHBondContact O-N 3.06Å; F1041-W1045 AromaticContact CD2-CD1 3.69Å; F1041-W1045 HydrophobicContact CE1-CB 4.28Å; F1041-W1045 AromaticContact CE1-CD1 3.99Å; F1041-W1045 HydrophobicContact CE1-CG 4.34Å; F1041-W1045 AromaticContact CE2-CD1 3.34Å; F1041-W1045 HydrophobicContact CE2-CG 4.25Å; F1041-W1045 AromaticContact CE2-NE1 3.64Å; F1041-W1045 HydrophobicContact CZ-CB 4.37Å; F1041-W1045 AromaticContact CZ-CD1 3.48Å; F1041-W1045 VanDerWaalsContact CZ-CD1 3.48Å; F1041-W1045 AromaticContact CZ-CG 3.97Å; F1041-W1045 HydrophobicContact CZ-CG 3.97Å; F1041-W1045 PolarHBondContact O-N 2.81Å; F1041-N1079 WeakPolarHBondContact CA-OD1 3.48Å; F1041-N1079 WeakPolarHBondContact CB-OD1 3.2Å |
| 1042 | L | 94 | Very high | 90.4 | Very high | 27 Ų | 27 | 41.5 Ų | 41.5 | 14% | 0.141 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66 | -40.7 | -179.8 | -66.1 | 178 | 0 | 0 | 0 | 112.1 | F191 M195 I199 T1038 C1040 C1044 L1046 | F191-L1042 HydrophobicContact CZ-CD2 4.39Å; M195-L1042 HydrophobicContact CB-CD2 4.2Å; M195-L1042 HydrophobicContact CG-CD2 3.58Å; M195-L1042 HydrophobicContact SD-CD2 3.89Å; I199-L1042 HydrophobicContact CD1-CD1 4.26Å; I199-L1042 HydrophobicContact CG1-CD1 4.07Å; T1038-L1042 HydrophobicContact CG2-CD1 4.26Å; T1038-L1042 WeakPolarHBondContact O-CG 3.4Å; T1038-L1042 PolarHBondContact O-N 3.25Å; C1040-L1042 PolarHBondContact O-N 3.16Å; L1042-C1044 VanDerWaalsContact C-N 3.29Å; L1042-C1044 PolarHBondContact O-N 3.47Å; L1042-L1046 WeakPolarHBondContact O-CB 3.44Å; L1042-L1046 PolarHBondContact O-N 2.79Å |
| 1043 | L | 94.6 | Very high | 90.7 | Very high | 130 Ų | 130 | 35.4 Ų | 35.4 | 68% | 0.681 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -65.9 | -30.4 | 175.9 | -73.2 | 168.3 | 0 | 0 | 0 | 113.1 | S1039 C1040 P1047 | S1039-L1043 WeakPolarHBondContact O-CB 3.49Å; S1039-L1043 WeakPolarHBondContact O-CD1 3.32Å; S1039-L1043 VanDerWaalsContact O-CG 3.22Å; S1039-L1043 WeakPolarHBondContact O-CG 3.34Å; S1039-L1043 PolarHBondContact O-N 2.89Å; C1040-L1043 PolarHBondContact O-N 2.99Å; L1043-P1047 WeakPolarHBondContact O-CD 3.37Å; L1043-P1047 WeakPolarHBondContact O-CG 3.49Å |
| 1044 | C | 96.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 3% | 0.027 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -76.8 | -45.9 | 177.2 | -67.5 | 0 | 0 | 0 | 0 | 112.5 | C1040 F1041 L1042 L1075 G1076 N1079 | C1040-C1044 WeakPolarHBondContact O-CB 3.45Å; C1040-C1044 PolarHBondContact O-N 2.83Å; C1040-C1044 PolarHBondContact O-SG 2.86Å; F1041-C1044 PolarHBondContact O-N 3.06Å; L1042-C1044 VanDerWaalsContact C-N 3.29Å; L1042-C1044 PolarHBondContact O-N 3.47Å; C1044-L1075 VanDerWaalsContact CB-O 3.28Å; C1044-L1075 WeakPolarHBondContact CB-O 3.24Å; C1044-G1076 PolarHBondContact O-N 3.31Å; C1044-N1079 HydrophobicContact CB-CB 3.94Å |
| 1045 | W | 94.9 | Very high | 90.5 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -92.9 | -33.2 | -170.5 | -78.8 | 104.3 | 0 | 0 | 0 | 115.3 | C104 F191 F1041 P1047 F1048 F1049 G1076 Y1077 | C104-W1045 HydrophobicContact CB-CH2 4.38Å; C104-W1045 HydrophobicContact CB-CZ2 4.37Å; C104-W1045 WeakPolarHBondContact SG-CH2 3.45Å; C104-W1045 WeakPolarHBondContact SG-CZ2 3.24Å; F191-W1045 HydrophobicContact CD2-CB 4.38Å; F191-W1045 HydrophobicContact CE2-CB 3.6Å; F191-W1045 HydrophobicContact CZ-CB 4.19Å; F1041-W1045 AromaticContact CD2-CD1 3.69Å; F1041-W1045 HydrophobicContact CE1-CB 4.28Å; F1041-W1045 AromaticContact CE1-CD1 3.99Å; F1041-W1045 HydrophobicContact CE1-CG 4.34Å; F1041-W1045 AromaticContact CE2-CD1 3.34Å; F1041-W1045 HydrophobicContact CE2-CG 4.25Å; F1041-W1045 AromaticContact CE2-NE1 3.64Å; F1041-W1045 HydrophobicContact CZ-CB 4.37Å; F1041-W1045 AromaticContact CZ-CD1 3.48Å; F1041-W1045 VanDerWaalsContact CZ-CD1 3.48Å; F1041-W1045 AromaticContact CZ-CG 3.97Å; F1041-W1045 HydrophobicContact CZ-CG 3.97Å; F1041-W1045 PolarHBondContact O-N 2.81Å; W1045-P1047 VanDerWaalsContact C-CD 3.43Å; W1045-P1047 VanDerWaalsContact C-N 3.34Å; W1045-F1048 HydrophobicContact CE3-CD1 4.28Å; W1045-F1048 HydrophobicContact CZ3-CD1 4.11Å; W1045-F1048 PolarHBondContact O-N 3.33Å; W1045-F1049 HydrophobicContact CB-CD2 4.13Å; W1045-F1049 HydrophobicContact CB-CE2 4.16Å; W1045-F1049 HydrophobicContact CD2-CE2 4.14Å; W1045-F1049 HydrophobicContact CE3-CD2 4.16Å; W1045-F1049 AromaticContact CE3-CE2 3.53Å; W1045-F1049 HydrophobicContact CE3-CE2 3.53Å; W1045-F1049 HydrophobicContact CE3-CZ 4.29Å; W1045-F1049 HydrophobicContact CG-CE2 4.43Å; W1045-F1049 HydrophobicContact CZ3-CE2 4.3Å; W1045-F1049 WeakPolarHBondContact O-CD2 3.25Å; W1045-F1049 PolarHBondContact O-N 3.2Å; W1045-F1049 VanDerWaalsContact O-N 3.12Å; W1045-G1076 VanDerWaalsContact CZ2-C 3.46Å; W1045-G1076 WeakPolarHBondContact CZ2-O 3.29Å; W1045-G1076 PolarHBondContact NE1-O 3.06Å; W1045-Y1077 HydrophobicContact CH2-CD1 4.03Å; W1045-Y1077 HydrophobicContact CH2-CE1 4.06Å; W1045-Y1077 HydrophobicContact CZ2-CD1 4.21Å |
| 1046 | L | 94.2 | Very high | 90.1 | Very high | 56 Ų | 56 | 40.9 Ų | 40.9 | 29% | 0.293 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -55.5 | -40.5 | -178.6 | -179.9 | 64.9 | 0 | 0 | 0 | 113.2 | F191 Y192 M195 L1042 F1048 F1049 L1050 | F191-L1046 HydrophobicContact CE1-CB 4.43Å; F191-L1046 HydrophobicContact CE1-CD1 3.84Å; F191-L1046 HydrophobicContact CZ-CB 4.09Å; F191-L1046 HydrophobicContact CZ-CD1 4.31Å; Y192-L1046 HydrophobicContact CE1-CD1 4.34Å; M195-L1046 HydrophobicContact CE-CD1 4.38Å; M195-L1046 HydrophobicContact SD-CD1 4.11Å; L1042-L1046 WeakPolarHBondContact O-CB 3.44Å; L1042-L1046 PolarHBondContact O-N 2.79Å; L1046-F1048 PolarHBondContact O-N 3.29Å; L1046-F1049 PolarHBondContact O-N 3.46Å; L1046-L1050 HydrophobicContact CD1-CD1 3.89Å; L1046-L1050 HydrophobicContact CD1-CD2 4.36Å; L1046-L1050 HydrophobicContact CD1-CG 3.82Å; L1046-L1050 HydrophobicContact CD2-CD1 4.38Å; L1046-L1050 HydrophobicContact CG-CD1 3.74Å; L1046-L1050 HydrophobicContact CG-CG 4.14Å; L1046-L1050 WeakPolarHBondContact O-CB 3.26Å; L1046-L1050 VanDerWaalsContact O-CG 3.26Å; L1046-L1050 WeakPolarHBondContact O-CG 3.46Å; L1046-L1050 PolarHBondContact O-N 3.29Å |
| 1047 | P | 93.9 | Very high | 89.6 | Confident | 43 Ų | 43 | 44.3 Ų | 44.3 | 28% | 0.279 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61 | -40.7 | 178 | -25.9 | 37.7 | 0 | 0 | 0 | 113.7 | L1043 W1045 Y1051 L1072 L1075 | L1043-P1047 WeakPolarHBondContact O-CD 3.37Å; L1043-P1047 WeakPolarHBondContact O-CG 3.49Å; W1045-P1047 VanDerWaalsContact C-CD 3.43Å; W1045-P1047 VanDerWaalsContact C-N 3.34Å; P1047-Y1051 PolarHBondContact O-N 3.45Å; P1047-Y1051 VanDerWaalsContact O-N 3.13Å; P1047-L1072 HydrophobicContact CB-CD2 3.48Å; P1047-L1072 VanDerWaalsContact CB-CD2 3.48Å; P1047-L1075 HydrophobicContact CB-CD2 4.42Å; P1047-L1075 HydrophobicContact CG-CD2 4.16Å |
| 1048 | F | 92.2 | Very high | 89 | Confident | 34 Ų | 34 | 46.1 Ų | 46.1 | 15% | 0.149 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67 | -51.5 | 176.9 | 178.5 | -101.1 | 0 | 0 | 0 | 111.4 | W1045 L1046 L1050 Y1051 T1052 L1072 L1073 | W1045-F1048 HydrophobicContact CE3-CD1 4.28Å; W1045-F1048 HydrophobicContact CZ3-CD1 4.11Å; W1045-F1048 PolarHBondContact O-N 3.33Å; L1046-F1048 PolarHBondContact O-N 3.29Å; F1048-L1050 VanDerWaalsContact C-N 3.32Å; F1048-L1050 PolarHBondContact O-N 2.92Å; F1048-Y1051 WeakPolarHBondContact O-CB 3.42Å; F1048-Y1051 PolarHBondContact O-N 3.07Å; F1048-T1052 PolarHBondContact O-N 3.43Å; F1048-T1052 PolarHBondContact O-OG1 3.3Å; F1048-T1052 VanDerWaalsContact O-OG1 3.11Å; F1048-L1072 HydrophobicContact CB-CB 4.16Å; F1048-L1072 HydrophobicContact CD2-CB 4.14Å; F1048-L1073 HydrophobicContact CD2-CB 4.12Å; F1048-L1073 HydrophobicContact CD2-CD1 4.36Å; F1048-L1073 HydrophobicContact CE1-CD1 4.48Å; F1048-L1073 HydrophobicContact CE2-CB 4.01Å; F1048-L1073 HydrophobicContact CE2-CD1 3.86Å; F1048-L1073 HydrophobicContact CZ-CD1 3.92Å |
| 1049 | F | 91 | Very high | 87.7 | Confident | 25 Ų | 25 | 53.1 Ų | 53.1 | 11% | 0.11 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.9 | -36.4 | -179.9 | -76.2 | -71.8 | 0 | 0 | 0 | 112.8 | T187 F191 Y192 W1045 L1046 T1052 L1053 | T187-F1049 HydrophobicContact CG2-CD1 4.31Å; F191-F1049 HydrophobicContact CB-CD1 3.81Å; F191-F1049 HydrophobicContact CB-CD2 3.79Å; F191-F1049 HydrophobicContact CB-CE1 3.82Å; F191-F1049 HydrophobicContact CB-CE2 3.8Å; F191-F1049 HydrophobicContact CB-CG 3.81Å; F191-F1049 HydrophobicContact CB-CZ 3.82Å; F191-F1049 HydrophobicContact CD1-CB 3.66Å; F191-F1049 HydrophobicContact CD1-CD1 4.41Å; F191-F1049 AromaticContact CD1-CD2 3.64Å; F191-F1049 HydrophobicContact CD1-CD2 3.64Å; F191-F1049 HydrophobicContact CD1-CE2 4.42Å; F191-F1049 AromaticContact CD1-CG 3.64Å; F191-F1049 HydrophobicContact CD1-CG 3.64Å; F191-F1049 AromaticContact CD2-CD2 3.29Å; F191-F1049 HydrophobicContact CD2-CD2 3.29Å; F191-F1049 AromaticContact CD2-CE2 3.35Å; F191-F1049 HydrophobicContact CD2-CE2 3.35Å; F191-F1049 HydrophobicContact CD2-CG 4.09Å; F191-F1049 HydrophobicContact CD2-CZ 4.18Å; F191-F1049 HydrophobicContact CE1-CB 3.96Å; F191-F1049 AromaticContact CE1-CD2 3.99Å; F191-F1049 HydrophobicContact CE1-CD2 3.99Å; F191-F1049 HydrophobicContact CE1-CG 4.21Å; F191-F1049 AromaticContact CE2-CD2 3.66Å; F191-F1049 HydrophobicContact CE2-CD2 3.66Å; F191-F1049 AromaticContact CE2-CE2 3.98Å; F191-F1049 HydrophobicContact CE2-CE2 3.98Å; F191-F1049 HydrophobicContact CG-CB 4.14Å; F191-F1049 HydrophobicContact CG-CD1 4.12Å; F191-F1049 AromaticContact CG-CD2 3.27Å; F191-F1049 HydrophobicContact CG-CD2 3.27Å; F191-F1049 HydrophobicContact CG-CE1 4.39Å; F191-F1049 AromaticContact CG-CE2 3.6Å; F191-F1049 HydrophobicContact CG-CE2 3.6Å; F191-F1049 AromaticContact CG-CG 3.57Å; F191-F1049 HydrophobicContact CG-CG 3.57Å; F191-F1049 HydrophobicContact CG-CZ 4.16Å; F191-F1049 HydrophobicContact CZ-CD2 4Å; Y192-F1049 HydrophobicContact CE2-CB 4.37Å; Y192-F1049 PolarHBondContact OH-O 3.06Å; W1045-F1049 HydrophobicContact CB-CD2 4.13Å; W1045-F1049 HydrophobicContact CB-CE2 4.16Å; W1045-F1049 HydrophobicContact CD2-CE2 4.14Å; W1045-F1049 HydrophobicContact CE3-CD2 4.16Å; W1045-F1049 AromaticContact CE3-CE2 3.53Å; W1045-F1049 HydrophobicContact CE3-CE2 3.53Å; W1045-F1049 HydrophobicContact CE3-CZ 4.29Å; W1045-F1049 HydrophobicContact CG-CE2 4.43Å; W1045-F1049 HydrophobicContact CZ3-CE2 4.3Å; W1045-F1049 WeakPolarHBondContact O-CD2 3.25Å; W1045-F1049 PolarHBondContact O-N 3.2Å; W1045-F1049 VanDerWaalsContact O-N 3.12Å; L1046-F1049 PolarHBondContact O-N 3.46Å; F1049-T1052 PolarHBondContact O-N 3.42Å; F1049-L1053 VanDerWaalsContact O-CB 3.31Å; F1049-L1053 WeakPolarHBondContact O-CB 3.3Å; F1049-L1053 PolarHBondContact O-N 2.94Å |
| 1050 | L | 90.8 | Very high | 86.5 | Confident | 71 Ų | 71 | 57 Ų | 57 | 37% | 0.372 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 172.1 | -74.8 | 172.9 | 0 | 0 | 0 | 112 | Y192 L1046 F1048 L1053 I1054 | Y192-L1050 WeakPolarHBondContact OH-CA 3.02Å; Y192-L1050 PolarHBondContact OH-N 3Å; L1046-L1050 HydrophobicContact CD1-CD1 3.89Å; L1046-L1050 HydrophobicContact CD1-CD2 4.36Å; L1046-L1050 HydrophobicContact CD1-CG 3.82Å; L1046-L1050 HydrophobicContact CD2-CD1 4.38Å; L1046-L1050 HydrophobicContact CG-CD1 3.74Å; L1046-L1050 HydrophobicContact CG-CG 4.14Å; L1046-L1050 WeakPolarHBondContact O-CB 3.26Å; L1046-L1050 VanDerWaalsContact O-CG 3.26Å; L1046-L1050 WeakPolarHBondContact O-CG 3.46Å; L1046-L1050 PolarHBondContact O-N 3.29Å; F1048-L1050 VanDerWaalsContact C-N 3.32Å; F1048-L1050 PolarHBondContact O-N 2.92Å; L1050-L1053 PolarHBondContact O-N 2.9Å; L1050-I1054 WeakPolarHBondContact O-CB 3.27Å; L1050-I1054 WeakPolarHBondContact O-CD1 3.49Å; L1050-I1054 WeakPolarHBondContact O-CG1 3.23Å; L1050-I1054 PolarHBondContact O-N 2.77Å |
| 1051 | Y | 88.7 | Confident | 85.2 | Confident | 47 Ų | 47 | 64.9 Ų | 64.9 | 18% | 0.184 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 175.1 | -178.8 | -102.3 | 0 | 0 | 0 | 111.7 | P1047 F1048 L1053 I1054 L1055 E1069 L1072 | P1047-Y1051 PolarHBondContact O-N 3.45Å; P1047-Y1051 VanDerWaalsContact O-N 3.13Å; F1048-Y1051 WeakPolarHBondContact O-CB 3.42Å; F1048-Y1051 PolarHBondContact O-N 3.07Å; Y1051-L1053 VanDerWaalsContact C-N 3.29Å; Y1051-L1053 PolarHBondContact O-N 3.01Å; Y1051-I1054 PolarHBondContact O-N 2.84Å; Y1051-L1055 HydrophobicContact CE1-CD2 4.28Å; Y1051-L1055 WeakPolarHBondContact O-CB 3.42Å; Y1051-L1055 PolarHBondContact O-N 2.92Å; Y1051-E1069 HydrophobicContact CE1-CB 4.05Å; Y1051-E1069 HydrophobicContact CE1-CG 4.14Å; Y1051-L1072 HydrophobicContact CD1-CD1 4.28Å; Y1051-L1072 HydrophobicContact CD2-CD1 4.13Å; Y1051-L1072 HydrophobicContact CG-CD1 3.74Å |
| 1052 | T | 85.3 | Confident | 84.2 | Confident | 31 Ų | 31 | 68 Ų | 68 | 19% | 0.19 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.7 | -35.9 | 175.5 | -49.3 | 0 | 0 | 0 | 0 | 112.7 | T183 T187 F1048 F1049 P1056 | T183-T1052 HydrophobicContact CG2-CG2 4.22Å; T187-T1052 HydrophobicContact CG2-CG2 3.97Å; F1048-T1052 PolarHBondContact O-N 3.43Å; F1048-T1052 PolarHBondContact O-OG1 3.3Å; F1048-T1052 VanDerWaalsContact O-OG1 3.11Å; F1049-T1052 PolarHBondContact O-N 3.42Å; T1052-P1056 WeakPolarHBondContact O-CD 3.37Å |
| 1053 | L | 85.2 | Confident | 83.2 | Confident | 49 Ų | 49 | 71 Ų | 71 | 26% | 0.257 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -72.8 | -38.8 | 177.3 | -176.1 | 66.3 | 0 | 0 | 0 | 112.2 | Y192 F1049 L1050 Y1051 F1057 | Y192-L1053 HydrophobicContact CE2-CB 4.41Å; Y192-L1053 HydrophobicContact CE2-CD2 3.99Å; F1049-L1053 VanDerWaalsContact O-CB 3.31Å; F1049-L1053 WeakPolarHBondContact O-CB 3.3Å; F1049-L1053 PolarHBondContact O-N 2.94Å; L1050-L1053 PolarHBondContact O-N 2.9Å; Y1051-L1053 VanDerWaalsContact C-N 3.29Å; Y1051-L1053 PolarHBondContact O-N 3.01Å; L1053-F1057 HydrophobicContact CD1-CE2 4.32Å; L1053-F1057 WeakPolarHBondContact O-CD2 3.21Å; L1053-F1057 WeakPolarHBondContact O-CE2 3.43Å |
| 1054 | I | 84.1 | Confident | 82.3 | Confident | 103 Ų | 103 | 69.5 Ų | 69.5 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -76.2 | -37.4 | -177.7 | -69.3 | 164.7 | 0 | 0 | 0 | 111.9 | L1050 Y1051 F1057 C1058 | L1050-I1054 WeakPolarHBondContact O-CB 3.27Å; L1050-I1054 WeakPolarHBondContact O-CD1 3.49Å; L1050-I1054 WeakPolarHBondContact O-CG1 3.23Å; L1050-I1054 PolarHBondContact O-N 2.77Å; Y1051-I1054 PolarHBondContact O-N 2.84Å; I1054-F1057 PolarHBondContact O-N 3.36Å; I1054-C1058 PolarHBondContact O-N 3.25Å |
| 1055 | L | 81 | Confident | 81.7 | Confident | 56 Ų | 56 | 75.8 Ų | 75.8 | 29% | 0.293 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -54.1 | -43.1 | -170.4 | -176.6 | 64.8 | 0 | 0 | 0 | 114.4 | Y1051 F1057 C1058 | Y1051-L1055 HydrophobicContact CE1-CD2 4.28Å; Y1051-L1055 WeakPolarHBondContact O-CB 3.42Å; Y1051-L1055 PolarHBondContact O-N 2.92Å; L1055-F1057 PolarHBondContact O-N 2.58Å; L1055-C1058 PolarHBondContact O-N 2.98Å |
| 1056 | P | 78.1 | Confident | 81.2 | Confident | 30 Ų | 30 | 79.2 Ų | 79.2 | 20% | 0.195 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -63.9 | -36.3 | 175.4 | -22 | 33.6 | 0 | 0 | 0 | 113.8 | Y180 T183 T1052 C1058 | Y180-P1056 HydrophobicContact CD1-CB 3.74Å; Y180-P1056 HydrophobicContact CE1-CB 3.75Å; Y180-P1056 WeakPolarHBondContact CE1-O 3.28Å; T183-P1056 HydrophobicContact CG2-CG 4.04Å; T1052-P1056 WeakPolarHBondContact O-CD 3.37Å; P1056-C1058 PolarHBondContact O-N 3.31Å |
| 1057 | F | 78.7 | Confident | 80.9 | Confident | 119 Ų | 119 | 83.8 Ų | 83.8 | 52% | 0.522 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -77.9 | -5 | -178.1 | -59.2 | -69.8 | 0 | 0 | 0 | 113.5 | I184 L1053 I1054 L1055 L1059 | I184-F1057 HydrophobicContact CD1-CZ 3.97Å; I184-F1057 HydrophobicContact CG1-CZ 4.35Å; L1053-F1057 HydrophobicContact CD1-CE2 4.32Å; L1053-F1057 WeakPolarHBondContact O-CD2 3.21Å; L1053-F1057 WeakPolarHBondContact O-CE2 3.43Å; I1054-F1057 PolarHBondContact O-N 3.36Å; L1055-F1057 PolarHBondContact O-N 2.58Å; F1057-L1059 VanDerWaalsContact C-N 3.3Å; F1057-L1059 PolarHBondContact O-N 2.94Å |
| 1058 | C | 77.8 | Confident | 80.7 | Confident | 40 Ų | 40 | 85.2 Ų | 85.2 | 27% | 0.27 | 41% | 0.411 | S | S | . | . | trans | -80 | 76.4 | 176.5 | -167.5 | 0 | 0 | 0 | 0 | 111.9 | I1054 L1055 P1056 I1060 C1062 | I1054-C1058 PolarHBondContact O-N 3.25Å; L1055-C1058 PolarHBondContact O-N 2.98Å; P1056-C1058 PolarHBondContact O-N 3.31Å; C1058-I1060 PolarHBondContact O-N 3.12Å; C1058-C1062 HydrophobicContact CB-CB 3.7Å; C1058-C1062 WeakPolarHBondContact CB-SG 3.5Å; C1058-C1062 WeakPolarHBondContact SG-CB 3.2Å; C1058-C1062 CovalentContact SG-SG 2.02Å; C1058-C1062 PolarHBondContact SG-SG 2.85Å | ||
| 1059 | L | 62.3 | Low | 80.5 | Confident | 153 Ų | 153 | 86.5 Ų | 86.5 | 80% | 0.801 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.9 | -178.4 | -61 | 174.7 | 0 | 0 | 0 | 114.5 | F1057 | F1057-L1059 VanDerWaalsContact C-N 3.3Å; F1057-L1059 PolarHBondContact O-N 2.94Å |
| 1060 | I | 66.3 | Low | 80.6 | Confident | 150 Ų | 150 | 86 Ų | 86 | 77% | 0.769 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.1 | 99.5 | -174.8 | -59.7 | 167.1 | 0 | 0 | 0 | 109.7 | C1058 C1062 | C1058-I1060 PolarHBondContact O-N 3.12Å; I1060-C1062 VanDerWaalsContact C-N 3.29Å; I1060-C1062 PolarHBondContact O-N 3.43Å |
| 1061 | K | 65.6 | Low | 80.7 | Confident | 189 Ų | 189 | 88.3 Ų | 88.3 | 82% | 0.822 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 29.6 | 51.9 | 166.1 | -69.5 | -168 | 175.7 | -174.7 | 0 | 116 | N1063 | K1061-N1063 PolarHBondContact O-N 2.97Š|
| 1062 | C | 73.2 | Confident | 81 | Confident | 68 Ų | 68 | 87.1 Ų | 87.1 | 46% | 0.459 | 42% | 0.421 | S | S | . | . | trans | -61.7 | 108.4 | 165.4 | -92.1 | 0 | 0 | 0 | 0 | 108.7 | C1058 I1060 R1064 | C1058-C1062 HydrophobicContact CB-CB 3.7Å; C1058-C1062 WeakPolarHBondContact CB-SG 3.5Å; C1058-C1062 WeakPolarHBondContact SG-CB 3.2Å; C1058-C1062 CovalentContact SG-SG 2.02Å; C1058-C1062 PolarHBondContact SG-SG 2.85Å; I1060-C1062 VanDerWaalsContact C-N 3.29Å; I1060-C1062 PolarHBondContact O-N 3.43Å; C1062-R1064 PolarHBondContact O-N 2.88Å; C1062-R1064 VanDerWaalsContact O-N 3.17Å | ||
| 1063 | N | 73 | Confident | 81.4 | Confident | 88 Ų | 88 | 86.9 Ų | 86.9 | 47% | 0.471 | 42% | 0.418 | S | S | . | . | trans | -66.3 | 117.7 | 176.7 | -165.4 | -3.1 | 0 | 0 | 0 | 108.5 | K1061 Y1065 | K1061-N1063 PolarHBondContact O-N 2.97Å; N1063-Y1065 HydrophobicContact CB-CE1 4.37Å; N1063-Y1065 HydrophobicContact CB-CE2 3.98Å; N1063-Y1065 WeakPolarHBondContact O-CD2 3.13Å; N1063-Y1065 PolarHBondContact O-N 2.86Å | ||
| 1064 | R | 75.1 | Confident | 81.9 | Confident | 100 Ų | 100 | 85.5 Ų | 85.5 | 38% | 0.377 | 41% | 0.41 | S | S | . | . | trans | -77.6 | 78.9 | -175.7 | -159.7 | -158.9 | -47.9 | 153.2 | 8.5 | 109.2 | E173 C1062 R1066 E1069 | E173-R1064 IonicContact OE1-CZ 3.63Å; E173-R1064 IonicContact OE1-NH1 2.75Å; E173-R1064 PolarHBondContact OE1-NH1 3.27Å; E173-R1064 IonicContact OE1-NH2 3.59Å; E173-R1064 IonicContact OE2-NH1 3.34Å; E173-R1064 PolarHBondContact OE2-NH1 2.93Å; E173-R1064 IonicContact OE2-NH2 3.86Å; C1062-R1064 PolarHBondContact O-N 2.88Å; C1062-R1064 VanDerWaalsContact O-N 3.17Å; R1064-R1066 VanDerWaalsContact C-N 3.34Å; R1064-R1066 PolarHBondContact O-N 2.98Å; R1064-E1069 VanDerWaalsContact CD-OE2 3.22Å; R1064-E1069 WeakPolarHBondContact CD-OE2 3.36Å | ||
| 1065 | Y | 83.8 | Confident | 82.5 | Confident | 135 Ų | 135 | 82.6 Ų | 82.6 | 53% | 0.529 | 40% | 0.395 | S | S | . | . | trans | -62.4 | 94 | 175 | -62.4 | -70.2 | 0 | 0 | 0 | 109.9 | N1063 F1067 I1068 E1069 | N1063-Y1065 HydrophobicContact CB-CE1 4.37Å; N1063-Y1065 HydrophobicContact CB-CE2 3.98Å; N1063-Y1065 WeakPolarHBondContact O-CD2 3.13Å; N1063-Y1065 PolarHBondContact O-N 2.86Å; Y1065-F1067 PolarHBondContact O-N 2.87Å; Y1065-I1068 HydrophobicContact CD2-CD1 3.95Å; Y1065-I1068 HydrophobicContact CG-CD1 4.19Å; Y1065-I1068 WeakPolarHBondContact O-CA 3.39Å; Y1065-I1068 WeakPolarHBondContact O-CB 3.46Å; Y1065-I1068 PolarHBondContact O-N 3.26Å; Y1065-E1069 PolarHBondContact O-N 3.24Å | ||
| 1066 | R | 85 | Confident | 83.2 | Confident | 77 Ų | 77 | 79.9 Ų | 79.9 | 29% | 0.291 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -45.8 | -41.8 | 179.1 | -179.8 | 171 | 171.6 | 155.1 | -4.7 | 112.2 | N80 E81 S83 E84 R1064 I1068 E1069 S1070 | N80-R1066 PolarHBondContact O-NH2 2.82Å; E81-R1066 PolarHBondContact O-NH2 3.49Å; S83-R1066 PolarHBondContact O-NH2 3.15Å; E84-R1066 PolarHBondContact O-NH1 3.3Å; R1064-R1066 VanDerWaalsContact C-N 3.34Å; R1064-R1066 PolarHBondContact O-N 2.98Å; R1066-I1068 VanDerWaalsContact C-N 3.29Å; R1066-I1068 PolarHBondContact O-N 3.1Å; R1066-E1069 PolarHBondContact O-N 2.98Å; R1066-E1069 VanDerWaalsContact O-N 3.16Å; R1066-S1070 WeakPolarHBondContact O-CB 3.21Å; R1066-S1070 PolarHBondContact O-N 3.21Å; R1066-S1070 PolarHBondContact O-OG 3.39Å |
| 1067 | F | 87.9 | Confident | 84.1 | Confident | 152 Ų | 152 | 78.5 Ų | 78.5 | 67% | 0.667 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -55.1 | -36.8 | 175.3 | -179.7 | -96.9 | 0 | 0 | 0 | 114.6 | Y1065 F1071 | Y1065-F1067 PolarHBondContact O-N 2.87Å; F1067-F1071 WeakPolarHBondContact O-CB 3.37Å; F1067-F1071 PolarHBondContact O-N 3.49Å |
| 1068 | I | 89.9 | Confident | 84.9 | Confident | 73 Ų | 73 | 74.8 Ų | 74.8 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -71.6 | -47.4 | 176.8 | -59.8 | -177.9 | 0 | 0 | 0 | 109.7 | Y1065 R1066 S1070 F1071 L1072 | Y1065-I1068 HydrophobicContact CD2-CD1 3.95Å; Y1065-I1068 HydrophobicContact CG-CD1 4.19Å; Y1065-I1068 WeakPolarHBondContact O-CA 3.39Å; Y1065-I1068 WeakPolarHBondContact O-CB 3.46Å; Y1065-I1068 PolarHBondContact O-N 3.26Å; R1066-I1068 VanDerWaalsContact C-N 3.29Å; R1066-I1068 PolarHBondContact O-N 3.1Å; I1068-S1070 PolarHBondContact O-N 3.39Å; I1068-F1071 PolarHBondContact O-N 2.86Å; I1068-L1072 HydrophobicContact CG2-CD1 3.72Å; I1068-L1072 HydrophobicContact CG2-CG 4.22Å; I1068-L1072 WeakPolarHBondContact O-CB 3.39Å; I1068-L1072 WeakPolarHBondContact O-CG 3.43Å; I1068-L1072 PolarHBondContact O-N 3.43Å |
| 1069 | E | 87.6 | Confident | 85.8 | Confident | 60 Ų | 60 | 72.9 Ų | 72.9 | 28% | 0.28 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.5 | -49.4 | 177.1 | -173.7 | 171.1 | -168.3 | 0 | 0 | 111.2 | Y1051 R1064 Y1065 R1066 L1072 L1073 | Y1051-E1069 HydrophobicContact CE1-CB 4.05Å; Y1051-E1069 HydrophobicContact CE1-CG 4.14Å; R1064-E1069 VanDerWaalsContact CD-OE2 3.22Å; R1064-E1069 WeakPolarHBondContact CD-OE2 3.36Å; Y1065-E1069 PolarHBondContact O-N 3.24Å; R1066-E1069 PolarHBondContact O-N 2.98Å; R1066-E1069 VanDerWaalsContact O-N 3.16Å; E1069-L1072 PolarHBondContact O-N 3.09Å; E1069-L1073 WeakPolarHBondContact O-CB 3.39Å; E1069-L1073 PolarHBondContact O-N 3.3Å |
| 1070 | S | 92.4 | Very high | 87.4 | Confident | 15 Ų | 15 | 65.8 Ų | 65.8 | 11% | 0.105 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.3 | -51.6 | 171.6 | -60.6 | 0 | 0 | 0 | 0 | 112.5 | E81 R1066 I1068 L1072 L1073 W1074 | E81-S1070 VanDerWaalsContact CD-OG 3.26Å; E81-S1070 VanDerWaalsContact OE1-CB 3.24Å; E81-S1070 WeakPolarHBondContact OE1-CB 3.25Å; E81-S1070 PolarHBondContact OE1-OG 3.34Å; E81-S1070 VanDerWaalsContact OE2-CB 3.23Å; E81-S1070 WeakPolarHBondContact OE2-CB 3.49Å; E81-S1070 PolarHBondContact OE2-OG 2.93Å; R1066-S1070 WeakPolarHBondContact O-CB 3.21Å; R1066-S1070 PolarHBondContact O-N 3.21Å; R1066-S1070 PolarHBondContact O-OG 3.39Å; I1068-S1070 PolarHBondContact O-N 3.39Å; S1070-L1072 VanDerWaalsContact C-N 3.35Å; S1070-L1072 PolarHBondContact O-N 3.24Å; S1070-L1073 PolarHBondContact O-N 2.94Å; S1070-W1074 WeakPolarHBondContact O-CB 3.4Å; S1070-W1074 PolarHBondContact O-N 3.35Å |
| 1071 | F | 94 | Very high | 88.9 | Confident | 120 Ų | 120 | 60 Ų | 60 | 53% | 0.526 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | -178.8 | 175.3 | -95.1 | 0 | 0 | 0 | 112.2 | F1067 I1068 L1075 | F1067-F1071 WeakPolarHBondContact O-CB 3.37Å; F1067-F1071 PolarHBondContact O-N 3.49Å; I1068-F1071 PolarHBondContact O-N 2.86Å; F1071-L1075 HydrophobicContact CE1-CD2 4.35Å; F1071-L1075 VanDerWaalsContact O-CB 3.22Å; F1071-L1075 WeakPolarHBondContact O-CB 3.48Å; F1071-L1075 PolarHBondContact O-N 2.8Å |
| 1072 | L | 94.7 | Very high | 90.3 | Very high | 21 Ų | 21 | 54.3 Ų | 54.3 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 179.2 | -64.5 | 171.5 | 0 | 0 | 0 | 111.8 | P1047 F1048 Y1051 I1068 E1069 S1070 L1075 G1076 | P1047-L1072 HydrophobicContact CB-CD2 3.48Å; P1047-L1072 VanDerWaalsContact CB-CD2 3.48Å; F1048-L1072 HydrophobicContact CB-CB 4.16Å; F1048-L1072 HydrophobicContact CD2-CB 4.14Å; Y1051-L1072 HydrophobicContact CD1-CD1 4.28Å; Y1051-L1072 HydrophobicContact CD2-CD1 4.13Å; Y1051-L1072 HydrophobicContact CG-CD1 3.74Å; I1068-L1072 HydrophobicContact CG2-CD1 3.72Å; I1068-L1072 HydrophobicContact CG2-CG 4.22Å; I1068-L1072 WeakPolarHBondContact O-CB 3.39Å; I1068-L1072 WeakPolarHBondContact O-CG 3.43Å; I1068-L1072 PolarHBondContact O-N 3.43Å; E1069-L1072 PolarHBondContact O-N 3.09Å; S1070-L1072 VanDerWaalsContact C-N 3.35Å; S1070-L1072 PolarHBondContact O-N 3.24Å; L1072-L1075 PolarHBondContact O-N 2.94Å; L1072-G1076 PolarHBondContact O-N 3.48Å; L1072-G1076 VanDerWaalsContact O-N 3.08Å |
| 1073 | L | 94 | Very high | 91.3 | Very high | 27 Ų | 27 | 51.2 Ų | 51.2 | 14% | 0.141 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64 | -48.9 | 175.7 | -177.6 | 65.4 | 0 | 0 | 0 | 111.6 | F1048 E1069 S1070 L1075 G1076 Y1077 | F1048-L1073 HydrophobicContact CD2-CB 4.12Å; F1048-L1073 HydrophobicContact CD2-CD1 4.36Å; F1048-L1073 HydrophobicContact CE1-CD1 4.48Å; F1048-L1073 HydrophobicContact CE2-CB 4.01Å; F1048-L1073 HydrophobicContact CE2-CD1 3.86Å; F1048-L1073 HydrophobicContact CZ-CD1 3.92Å; E1069-L1073 WeakPolarHBondContact O-CB 3.39Å; E1069-L1073 PolarHBondContact O-N 3.3Å; S1070-L1073 PolarHBondContact O-N 2.94Å; L1073-L1075 VanDerWaalsContact C-N 3.32Å; L1073-L1075 PolarHBondContact O-N 3.1Å; L1073-G1076 WeakPolarHBondContact O-CA 3.3Å; L1073-G1076 PolarHBondContact O-N 3.38Å; L1073-G1076 VanDerWaalsContact O-N 3.11Å; L1073-Y1077 HydrophobicContact CD1-CE1 4.33Å; L1073-Y1077 HydrophobicContact CD1-CE2 3.98Å; L1073-Y1077 HydrophobicContact CD2-CE2 4.02Å; L1073-Y1077 HydrophobicContact CG-CD2 4.26Å; L1073-Y1077 HydrophobicContact CG-CE2 3.62Å; L1073-Y1077 PolarHBondContact O-N 3.47Å |
| 1074 | W | 96.1 | Very high | 92.3 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 8% | 0.076 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.7 | -31.5 | 177 | -78.1 | 104 | 0 | 0 | 0 | 113 | L27 M74 A78 E81 S1070 G1076 Y1077 L1078 | L27-W1074 HydrophobicContact CB-CH2 4.28Å; L27-W1074 HydrophobicContact CD1-CH2 4.29Å; L27-W1074 HydrophobicContact CD1-CZ2 3.7Å; L27-W1074 HydrophobicContact CD2-CD2 3.64Å; L27-W1074 HydrophobicContact CD2-CE3 3.82Å; L27-W1074 HydrophobicContact CD2-CG 4.29Å; L27-W1074 HydrophobicContact CD2-CH2 3.95Å; L27-W1074 HydrophobicContact CD2-CZ2 3.76Å; L27-W1074 HydrophobicContact CD2-CZ3 3.96Å; L27-W1074 HydrophobicContact CG-CH2 4.39Å; L27-W1074 HydrophobicContact CG-CZ2 4.19Å; M74-W1074 HydrophobicContact CB-CH2 4.14Å; M74-W1074 HydrophobicContact CB-CZ3 4.26Å; M74-W1074 HydrophobicContact CG-CZ3 4.34Å; M74-W1074 HydrophobicContact SD-CZ3 4.43Å; A78-W1074 HydrophobicContact CB-CH2 4Å; A78-W1074 HydrophobicContact CB-CZ2 3.91Å; E81-W1074 VanDerWaalsContact OE2-CD1 3.28Å; E81-W1074 PolarHBondContact OE2-NE1 2.92Å; S1070-W1074 WeakPolarHBondContact O-CB 3.4Å; S1070-W1074 PolarHBondContact O-N 3.35Å; W1074-G1076 VanDerWaalsContact C-N 3.33Å; W1074-Y1077 HydrophobicContact CD2-CD2 4.07Å; W1074-Y1077 AromaticContact CE3-CD2 3.85Å; W1074-Y1077 HydrophobicContact CE3-CD2 3.85Å; W1074-Y1077 HydrophobicContact CH2-CD2 4.45Å; W1074-Y1077 HydrophobicContact CZ3-CD2 4.07Å; W1074-Y1077 PolarHBondContact O-N 3.09Å; W1074-L1078 WeakPolarHBondContact O-CG 3.47Å; W1074-L1078 PolarHBondContact O-N 3.28Å |
| 1075 | L | 96.1 | Very high | 93.2 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 22% | 0.215 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.8 | -40.7 | 169.9 | 179.9 | 62.5 | 0 | 0 | 0 | 111.5 | C1044 P1047 F1071 L1072 L1073 L1078 | C1044-L1075 VanDerWaalsContact CB-O 3.28Å; C1044-L1075 WeakPolarHBondContact CB-O 3.24Å; P1047-L1075 HydrophobicContact CB-CD2 4.42Å; P1047-L1075 HydrophobicContact CG-CD2 4.16Å; F1071-L1075 HydrophobicContact CE1-CD2 4.35Å; F1071-L1075 VanDerWaalsContact O-CB 3.22Å; F1071-L1075 WeakPolarHBondContact O-CB 3.48Å; F1071-L1075 PolarHBondContact O-N 2.8Å; L1072-L1075 PolarHBondContact O-N 2.94Å; L1073-L1075 VanDerWaalsContact C-N 3.32Å; L1073-L1075 PolarHBondContact O-N 3.1Å; L1075-L1078 PolarHBondContact O-N 3.43Å |
| 1076 | G | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58 | -50.4 | 170 | 0 | 0 | 0 | 0 | 0 | 112.4 | C1044 W1045 L1072 L1073 W1074 L1078 N1079 | C1044-G1076 PolarHBondContact O-N 3.31Å; W1045-G1076 VanDerWaalsContact CZ2-C 3.46Å; W1045-G1076 WeakPolarHBondContact CZ2-O 3.29Å; W1045-G1076 PolarHBondContact NE1-O 3.06Å; L1072-G1076 PolarHBondContact O-N 3.48Å; L1072-G1076 VanDerWaalsContact O-N 3.08Å; L1073-G1076 WeakPolarHBondContact O-CA 3.3Å; L1073-G1076 PolarHBondContact O-N 3.38Å; L1073-G1076 VanDerWaalsContact O-N 3.11Å; W1074-G1076 VanDerWaalsContact C-N 3.33Å; G1076-L1078 VanDerWaalsContact C-N 3.31Å; G1076-L1078 PolarHBondContact O-N 3.36Å; G1076-N1079 WeakPolarHBondContact O-CB 3.24Å; G1076-N1079 PolarHBondContact O-N 3.47Å; G1076-N1079 VanDerWaalsContact O-N 3.16Å |
| 1077 | Y | 97 | Very high | 94.1 | Very high | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.7 | -30.2 | 178.5 | -66.6 | -29.8 | 0 | 0 | 0 | 114.4 | V69 V73 M74 S77 D100 W1045 L1073 W1074 N1079 S1080 | V69-Y1077 HydrophobicContact CG1-CD1 3.82Å; V69-Y1077 HydrophobicContact CG1-CE1 4.19Å; V73-Y1077 HydrophobicContact CG1-CE1 3.8Å; V73-Y1077 VanDerWaalsContact CG1-OH 3.26Å; V73-Y1077 WeakPolarHBondContact CG1-OH 3.46Å; M74-Y1077 WeakPolarHBondContact CE-O 3.32Å; M74-Y1077 HydrophobicContact CG-CD2 4.35Å; M74-Y1077 HydrophobicContact CG-CG 4.22Å; S77-Y1077 WeakPolarHBondContact OG-CE2 3.3Å; S77-Y1077 PolarHBondContact OG-OH 3.35Å; D100-Y1077 VanDerWaalsContact OD1-CE1 3.22Å; D100-Y1077 WeakPolarHBondContact OD1-CE1 3.35Å; D100-Y1077 PolarHBondContact OD1-OH 3.26Å; W1045-Y1077 HydrophobicContact CH2-CD1 4.03Å; W1045-Y1077 HydrophobicContact CH2-CE1 4.06Å; W1045-Y1077 HydrophobicContact CZ2-CD1 4.21Å; L1073-Y1077 HydrophobicContact CD1-CE1 4.33Å; L1073-Y1077 HydrophobicContact CD1-CE2 3.98Å; L1073-Y1077 HydrophobicContact CD2-CE2 4.02Å; L1073-Y1077 HydrophobicContact CG-CD2 4.26Å; L1073-Y1077 HydrophobicContact CG-CE2 3.62Å; L1073-Y1077 PolarHBondContact O-N 3.47Å; W1074-Y1077 HydrophobicContact CD2-CD2 4.07Å; W1074-Y1077 AromaticContact CE3-CD2 3.85Å; W1074-Y1077 HydrophobicContact CE3-CD2 3.85Å; W1074-Y1077 HydrophobicContact CH2-CD2 4.45Å; W1074-Y1077 HydrophobicContact CZ3-CD2 4.07Å; W1074-Y1077 PolarHBondContact O-N 3.09Å; Y1077-N1079 PolarHBondContact O-N 3.3Å; Y1077-S1080 PolarHBondContact O-N 3.16Å |
| 1078 | L | 96.3 | Very high | 94.3 | Very high | 40 Ų | 40 | 32.6 Ų | 32.6 | 21% | 0.209 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.4 | -20.2 | 175.6 | -77.1 | 170.2 | 0 | 0 | 0 | 113.5 | I30 W1074 L1075 G1076 S1080 L1081 F1082 | I30-L1078 HydrophobicContact CD1-CD2 4.26Å; I30-L1078 HydrophobicContact CG1-CD2 4.29Å; I30-L1078 HydrophobicContact CG2-CD2 3.9Å; W1074-L1078 WeakPolarHBondContact O-CG 3.47Å; W1074-L1078 PolarHBondContact O-N 3.28Å; L1075-L1078 PolarHBondContact O-N 3.43Å; G1076-L1078 VanDerWaalsContact C-N 3.31Å; G1076-L1078 PolarHBondContact O-N 3.36Å; L1078-S1080 VanDerWaalsContact C-N 3.27Å; L1078-S1080 PolarHBondContact O-N 3.11Å; L1078-L1081 HydrophobicContact CD2-CD2 3.86Å; L1078-L1081 WeakPolarHBondContact O-CB 3.45Å; L1078-L1081 PolarHBondContact O-N 2.93Å; L1078-F1082 HydrophobicContact CB-CD2 4.32Å; L1078-F1082 HydrophobicContact CB-CE2 3.74Å; L1078-F1082 HydrophobicContact CB-CZ 4.16Å; L1078-F1082 WeakPolarHBondContact O-CD2 3.49Å; L1078-F1082 WeakPolarHBondContact O-CG 3.41Å; L1078-F1082 PolarHBondContact O-N 3.41Å |
| 1079 | N | 95.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -51.5 | -45.5 | 170.9 | 170.3 | 79.9 | 0 | 0 | 0 | 112.5 | F1041 C1044 G1076 Y1077 L1081 F1082 N1083 | F1041-N1079 WeakPolarHBondContact CA-OD1 3.48Å; F1041-N1079 WeakPolarHBondContact CB-OD1 3.2Å; C1044-N1079 HydrophobicContact CB-CB 3.94Å; G1076-N1079 WeakPolarHBondContact O-CB 3.24Å; G1076-N1079 PolarHBondContact O-N 3.47Å; G1076-N1079 VanDerWaalsContact O-N 3.16Å; Y1077-N1079 PolarHBondContact O-N 3.3Å; N1079-L1081 PolarHBondContact O-N 3.43Å; N1079-F1082 PolarHBondContact O-N 3.08Å; N1079-F1082 VanDerWaalsContact O-N 3.08Å; N1079-N1083 PolarHBondContact O-N 3.1Å; N1079-N1083 VanDerWaalsContact O-N 3.17Å |
| 1080 | S | 96.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 3% | 0.028 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.6 | -25.6 | -178.3 | -62.4 | 0 | 0 | 0 | 0 | 112.4 | N38 D66 Y1077 L1078 P1084 | N38-S1080 PolarHBondContact ND2-O 3.44Å; D66-S1080 WeakPolarHBondContact OD1-CA 3.46Å; D66-S1080 VanDerWaalsContact OD1-CB 3.23Å; D66-S1080 WeakPolarHBondContact OD1-CB 3.4Å; D66-S1080 PolarHBondContact OD1-OG 3.43Å; Y1077-S1080 PolarHBondContact O-N 3.16Å; L1078-S1080 VanDerWaalsContact C-N 3.27Å; L1078-S1080 PolarHBondContact O-N 3.11Å; S1080-P1084 WeakPolarHBondContact O-CD 3.35Å |
| 1081 | L | 96.6 | Very high | 94.3 | Very high | 28 Ų | 28 | 34.8 Ų | 34.8 | 15% | 0.147 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -76.5 | -38.6 | 170.6 | 179.2 | 58.6 | 0 | 0 | 0 | 112 | C33 T34 L1078 N1079 N1083 P1084 I1085 | C33-L1081 HydrophobicContact CB-CD1 3.61Å; T34-L1081 WeakPolarHBondContact OG1-CB 3.38Å; L1078-L1081 HydrophobicContact CD2-CD2 3.86Å; L1078-L1081 WeakPolarHBondContact O-CB 3.45Å; L1078-L1081 PolarHBondContact O-N 2.93Å; N1079-L1081 PolarHBondContact O-N 3.43Å; L1081-N1083 PolarHBondContact O-N 2.99Å; L1081-P1084 WeakPolarHBondContact O-CD 3.44Å; L1081-I1085 HydrophobicContact CD1-CD1 4.41Å; L1081-I1085 HydrophobicContact CG-CD1 4.15Å |
| 1082 | F | 96.1 | Very high | 94 | Very high | 70 Ų | 70 | 32 Ų | 32 | 31% | 0.307 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -69.4 | -29.9 | -177.8 | -65.4 | -46.9 | 0 | 0 | 0 | 113.5 | C1040 L1078 N1079 I1085 I1086 | C1040-F1082 WeakPolarHBondContact SG-CD2 3.43Å; L1078-F1082 HydrophobicContact CB-CD2 4.32Å; L1078-F1082 HydrophobicContact CB-CE2 3.74Å; L1078-F1082 HydrophobicContact CB-CZ 4.16Å; L1078-F1082 WeakPolarHBondContact O-CD2 3.49Å; L1078-F1082 WeakPolarHBondContact O-CG 3.41Å; L1078-F1082 PolarHBondContact O-N 3.41Å; N1079-F1082 PolarHBondContact O-N 3.08Å; N1079-F1082 VanDerWaalsContact O-N 3.08Å; F1082-I1085 HydrophobicContact CD1-CD1 4.32Å; F1082-I1085 WeakPolarHBondContact O-CB 3.34Å; F1082-I1085 PolarHBondContact O-N 3.46Å; F1082-I1085 VanDerWaalsContact O-N 3.09Å; F1082-I1086 HydrophobicContact CB-CD1 4.16Å; F1082-I1086 VanDerWaalsContact O-CG1 3.28Å; F1082-I1086 WeakPolarHBondContact O-CG1 3.45Å; F1082-I1086 PolarHBondContact O-N 3.4Å |
| 1083 | N | 93 | Very high | 93.7 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.011 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -51.7 | -58.5 | 179 | -84.4 | -20 | 0 | 0 | 0 | 113.2 | D66 I1037 N1079 L1081 I1085 I1086 Y1087 | D66-N1083 PolarHBondContact OD2-ND2 2.99Å; I1037-N1083 WeakPolarHBondContact CG2-OD1 3.48Å; N1079-N1083 PolarHBondContact O-N 3.1Å; N1079-N1083 VanDerWaalsContact O-N 3.17Å; L1081-N1083 PolarHBondContact O-N 2.99Å; N1083-I1085 VanDerWaalsContact C-N 3.32Å; N1083-I1085 PolarHBondContact O-N 3.47Å; N1083-I1086 PolarHBondContact O-N 3.47Å; N1083-Y1087 HydrophobicContact CB-CE2 4.41Å; N1083-Y1087 WeakPolarHBondContact O-CD2 3.27Å; N1083-Y1087 PolarHBondContact O-N 3.01Å |
| 1084 | P | 94.3 | Very high | 93.6 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 7% | 0.065 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -51.9 | -44.2 | 171.3 | -29.4 | 35.2 | 0 | 0 | 0 | 114.5 | N38 V41 S1080 L1081 Y1087 T1088 | N38-P1084 HydrophobicContact CB-CG 4.49Å; N38-P1084 WeakPolarHBondContact OD1-CD 3.44Å; N38-P1084 WeakPolarHBondContact OD1-CG 3.47Å; V41-P1084 HydrophobicContact CG2-CB 4.25Å; V41-P1084 HydrophobicContact CG2-CG 4.15Å; S1080-P1084 WeakPolarHBondContact O-CD 3.35Å; L1081-P1084 WeakPolarHBondContact O-CD 3.44Å; P1084-Y1087 PolarHBondContact O-N 2.99Å; P1084-T1088 WeakPolarHBondContact O-CG2 3.23Å; P1084-T1088 PolarHBondContact O-N 2.92Å; P1084-T1088 VanDerWaalsContact O-N 3.11Å |
| 1085 | I | 95 | Very high | 93.4 | Very high | 72 Ų | 72 | 36 Ų | 36 | 37% | 0.369 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.6 | -46.9 | -177.8 | -62.7 | 171.1 | 0 | 0 | 0 | 110.3 | L1081 F1082 N1083 Y1087 T1088 I1089 | L1081-I1085 HydrophobicContact CD1-CD1 4.41Å; L1081-I1085 HydrophobicContact CG-CD1 4.15Å; F1082-I1085 HydrophobicContact CD1-CD1 4.32Å; F1082-I1085 WeakPolarHBondContact O-CB 3.34Å; F1082-I1085 PolarHBondContact O-N 3.46Å; F1082-I1085 VanDerWaalsContact O-N 3.09Å; N1083-I1085 VanDerWaalsContact C-N 3.32Å; N1083-I1085 PolarHBondContact O-N 3.47Å; I1085-Y1087 VanDerWaalsContact C-N 3.3Å; I1085-Y1087 PolarHBondContact O-N 3.36Å; I1085-T1088 PolarHBondContact O-N 3.46Å; I1085-T1088 PolarHBondContact O-OG1 3.44Å; I1085-I1089 HydrophobicContact CG2-CD1 3.86Å; I1085-I1089 PolarHBondContact O-N 2.97Å; I1085-I1089 VanDerWaalsContact O-N 3.17Å |
| 1086 | I | 94.6 | Very high | 93.2 | Very high | 14 Ų | 14 | 37.7 Ų | 37.7 | 7% | 0.072 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -38.8 | 178.9 | -66 | 163 | 0 | 0 | 0 | 110.8 | T1033 I1036 I1037 C1040 F1082 N1083 I1089 F1090 | T1033-I1086 HydrophobicContact CG2-CG2 4.17Å; I1036-I1086 HydrophobicContact CG2-CD1 4.39Å; I1036-I1086 HydrophobicContact CG2-CG1 4.42Å; I1036-I1086 HydrophobicContact CG2-CG2 3.93Å; I1037-I1086 HydrophobicContact CD1-CG2 4.18Å; I1037-I1086 HydrophobicContact CG1-CB 4.18Å; I1037-I1086 HydrophobicContact CG1-CD1 4.16Å; I1037-I1086 HydrophobicContact CG1-CG2 3.55Å; C1040-I1086 HydrophobicContact CB-CD1 3.83Å; F1082-I1086 HydrophobicContact CB-CD1 4.16Å; F1082-I1086 VanDerWaalsContact O-CG1 3.28Å; F1082-I1086 WeakPolarHBondContact O-CG1 3.45Å; F1082-I1086 PolarHBondContact O-N 3.4Å; N1083-I1086 PolarHBondContact O-N 3.47Å; I1086-I1089 PolarHBondContact O-N 3.36Å; I1086-F1090 HydrophobicContact CG2-CD2 3.98Å; I1086-F1090 PolarHBondContact O-N 3.42Å |
| 1087 | Y | 92.2 | Very high | 93.1 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 3% | 0.027 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.7 | -39.7 | 173 | -63.2 | -51.8 | 0 | 0 | 0 | 112.9 | V41 I59 I1037 N1083 P1084 I1085 I1089 S1091 F1094 | V41-Y1087 HydrophobicContact CG1-CD2 4.47Å; V41-Y1087 HydrophobicContact CG1-CE2 4.31Å; V41-Y1087 HydrophobicContact CG2-CD2 3.82Å; V41-Y1087 HydrophobicContact CG2-CE2 4.25Å; I59-Y1087 HydrophobicContact CG2-CE1 4.34Å; I59-Y1087 HydrophobicContact CG2-CE2 4.11Å; I59-Y1087 WeakPolarHBondContact CG2-OH 3.32Å; I1037-Y1087 HydrophobicContact CD1-CD1 4.18Å; I1037-Y1087 HydrophobicContact CD1-CE1 3.4Å; I1037-Y1087 VanDerWaalsContact CD1-CE1 3.4Å; N1083-Y1087 HydrophobicContact CB-CE2 4.41Å; N1083-Y1087 WeakPolarHBondContact O-CD2 3.27Å; N1083-Y1087 PolarHBondContact O-N 3.01Å; P1084-Y1087 PolarHBondContact O-N 2.99Å; I1085-Y1087 VanDerWaalsContact C-N 3.3Å; I1085-Y1087 PolarHBondContact O-N 3.36Å; Y1087-I1089 PolarHBondContact O-N 2.95Å; Y1087-S1091 WeakPolarHBondContact O-CB 3.38Å; Y1087-S1091 PolarHBondContact O-N 3.33Å; Y1087-S1091 VanDerWaalsContact O-N 3.17Å; Y1087-S1091 VanDerWaalsContact O-O 3.11Å; Y1087-F1094 HydrophobicContact CD1-CD2 4.06Å; Y1087-F1094 HydrophobicContact CD1-CE2 4.17Å; Y1087-F1094 HydrophobicContact CE1-CE2 4.45Å; Y1087-F1094 HydrophobicContact CG-CD2 4.36Å; Y1087-F1094 HydrophobicContact CG-CG 4.36Å |
| 1088 | T | 92.1 | Very high | 92.9 | Very high | 59 Ų | 59 | 38.5 Ų | 38.5 | 36% | 0.362 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.9 | -36.5 | 178.1 | 68.8 | 0 | 0 | 0 | 0 | 113.1 | P1084 I1085 R1095 F1098 | P1084-T1088 WeakPolarHBondContact O-CG2 3.23Å; P1084-T1088 PolarHBondContact O-N 2.92Å; P1084-T1088 VanDerWaalsContact O-N 3.11Å; I1085-T1088 PolarHBondContact O-N 3.46Å; I1085-T1088 PolarHBondContact O-OG1 3.44Å; T1088-R1095 WeakPolarHBondContact O-CD 3.4Å; T1088-R1095 PolarHBondContact O-NH1 3Å; T1088-F1098 HydrophobicContact CG2-CD2 3.77Å; T1088-F1098 HydrophobicContact CG2-CE2 3.73Å |
| 1089 | I | 92 | Very high | 92.7 | Very high | 91 Ų | 91 | 42.9 Ų | 42.9 | 47% | 0.467 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -81.6 | -53.7 | -175.7 | -61.4 | 169.9 | 0 | 0 | 0 | 110.7 | I1085 I1086 Y1087 R1095 | I1085-I1089 HydrophobicContact CG2-CD1 3.86Å; I1085-I1089 PolarHBondContact O-N 2.97Å; I1085-I1089 VanDerWaalsContact O-N 3.17Å; I1086-I1089 PolarHBondContact O-N 3.36Å; Y1087-I1089 PolarHBondContact O-N 2.95Å; I1089-R1095 PolarHBondContact O-NH1 3.47Å |
| 1090 | F | 89 | Confident | 92.5 | Very high | 83 Ų | 83 | 46.8 Ų | 46.8 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -99.5 | -19.1 | -166 | -63.5 | -77.4 | 0 | 0 | 0 | 114.4 | T1033 I1036 I1086 P1092 | T1033-F1090 HydrophobicContact CG2-CB 3.92Å; T1033-F1090 PolarHBondContact OG1-O 2.92Å; I1036-F1090 HydrophobicContact CD1-CD1 3.72Å; I1036-F1090 HydrophobicContact CD1-CD2 4.11Å; I1036-F1090 HydrophobicContact CD1-CE1 3.79Å; I1036-F1090 HydrophobicContact CD1-CE2 4.17Å; I1036-F1090 HydrophobicContact CD1-CG 3.88Å; I1036-F1090 HydrophobicContact CD1-CZ 4.01Å; I1036-F1090 HydrophobicContact CG2-CD2 4.38Å; I1036-F1090 HydrophobicContact CG2-CE2 4.22Å; I1086-F1090 HydrophobicContact CG2-CD2 3.98Å; I1086-F1090 PolarHBondContact O-N 3.42Å; F1090-P1092 WeakPolarHBondContact O-CD 2.97Å |
| 1091 | S | 88.4 | Confident | 92.3 | Very high | 20 Ų | 20 | 47.3 Ų | 47.3 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | trans | -105.6 | 105.2 | 178.5 | -166.7 | 0 | 0 | 0 | 0 | 112.6 | Y1087 D1093 F1094 R1095 | Y1087-S1091 WeakPolarHBondContact O-CB 3.38Å; Y1087-S1091 PolarHBondContact O-N 3.33Å; Y1087-S1091 VanDerWaalsContact O-N 3.17Å; Y1087-S1091 VanDerWaalsContact O-O 3.11Å; S1091-D1093 VanDerWaalsContact C-N 3.28Å; S1091-D1093 PolarHBondContact O-N 3.46Å; S1091-F1094 PolarHBondContact O-N 3.33Å; S1091-R1095 WeakPolarHBondContact O-CB 3.4Å; S1091-R1095 PolarHBondContact O-N 2.71Å | ||
| 1092 | P | 88.2 | Confident | 92 | Very high | 61 Ų | 61 | 50.4 Ų | 50.4 | 40% | 0.396 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.1 | -32 | 178.9 | 27 | -34.1 | 0 | 0 | 0 | 112.3 | F1090 R1095 N1096 | F1090-P1092 WeakPolarHBondContact O-CD 2.97Å; P1092-R1095 PolarHBondContact O-N 3.27Å; P1092-N1096 VanDerWaalsContact O-CB 3.28Å; P1092-N1096 WeakPolarHBondContact O-CB 3.39Å; P1092-N1096 PolarHBondContact O-N 3.04Å; P1092-N1096 PolarHBondContact O-ND2 3.02Å |
| 1093 | D | 88.8 | Confident | 91.8 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60 | -51.6 | 176.8 | -68 | 9.9 | 0 | 0 | 0 | 110.7 | L51 R53 S1091 N1096 A1097 | L51-D1093 HydrophobicContact CD2-CB 3.82Å; R53-D1093 IonicContact CZ-OD2 3.35Å; R53-D1093 VanDerWaalsContact CZ-OD2 3.29Å; R53-D1093 IonicContact NH1-OD2 3.36Å; R53-D1093 PolarHBondContact NH1-OD2 3.08Å; R53-D1093 IonicContact NH2-OD2 3.91Å; R53-D1093 PolarHBondContact NH2-OD2 2.9Å; S1091-D1093 VanDerWaalsContact C-N 3.28Å; S1091-D1093 PolarHBondContact O-N 3.46Å; D1093-N1096 PolarHBondContact O-N 2.95Å; D1093-A1097 PolarHBondContact O-N 3.05Å |
| 1094 | F | 91.2 | Very high | 91.5 | Very high | 6 Ų | 6 | 58.6 Ų | 58.6 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.9 | -44.9 | 176.5 | -83.3 | -84.6 | 0 | 0 | 0 | 112.1 | V41 A44 I45 L51 I59 Y1087 S1091 N1096 A1097 F1098 | V41-F1094 HydrophobicContact CG1-CE1 4.1Å; A44-F1094 HydrophobicContact CB-CD1 4.31Å; I45-F1094 HydrophobicContact CD1-CE1 4.04Å; I45-F1094 HydrophobicContact CD1-CZ 3.94Å; I45-F1094 HydrophobicContact CG1-CE1 3.74Å; I45-F1094 HydrophobicContact CG1-CZ 3.87Å; L51-F1094 HydrophobicContact CD1-CD1 3.83Å; L51-F1094 HydrophobicContact CD1-CE1 3.95Å; L51-F1094 HydrophobicContact CD1-CG 4.24Å; L51-F1094 HydrophobicContact CD1-CZ 4.46Å; L51-F1094 HydrophobicContact CD2-CD2 4.06Å; L51-F1094 HydrophobicContact CD2-CE2 4.01Å; L51-F1094 HydrophobicContact CD2-CG 4.34Å; L51-F1094 HydrophobicContact CD2-CZ 4.25Å; I59-F1094 HydrophobicContact CD1-CE2 4.38Å; I59-F1094 HydrophobicContact CG2-CZ 4.06Å; Y1087-F1094 HydrophobicContact CD1-CD2 4.06Å; Y1087-F1094 HydrophobicContact CD1-CE2 4.17Å; Y1087-F1094 HydrophobicContact CE1-CE2 4.45Å; Y1087-F1094 HydrophobicContact CG-CD2 4.36Å; Y1087-F1094 HydrophobicContact CG-CG 4.36Å; S1091-F1094 PolarHBondContact O-N 3.33Å; F1094-N1096 PolarHBondContact O-N 3.32Å; F1094-A1097 PolarHBondContact O-N 2.82Å; F1094-A1097 VanDerWaalsContact O-N 3.11Å; F1094-F1098 HydrophobicContact CB-CD2 4.45Å; F1094-F1098 HydrophobicContact CB-CE2 3.92Å; F1094-F1098 HydrophobicContact CB-CZ 4.15Å; F1094-F1098 HydrophobicContact CD1-CE1 4.23Å; F1094-F1098 HydrophobicContact CD1-CE2 4.47Å; F1094-F1098 AromaticContact CD1-CZ 3.85Å; F1094-F1098 HydrophobicContact CD1-CZ 3.85Å; F1094-F1098 HydrophobicContact CG-CZ 4.45Å; F1094-F1098 VanDerWaalsContact O-CD2 3.23Å; F1094-F1098 WeakPolarHBondContact O-CD2 3.25Å; F1094-F1098 WeakPolarHBondContact O-CG 3.42Å; F1094-F1098 PolarHBondContact O-N 3.37Å |
| 1095 | R | 93.1 | Very high | 91.3 | Very high | 93 Ų | 93 | 61.2 Ų | 61.2 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.5 | -38.5 | 175.6 | 178.5 | 167.2 | 58.5 | -125.3 | 10.6 | 112.3 | T1088 I1089 S1091 P1092 K1099 | T1088-R1095 WeakPolarHBondContact O-CD 3.4Å; T1088-R1095 PolarHBondContact O-NH1 3Å; I1089-R1095 PolarHBondContact O-NH1 3.47Å; S1091-R1095 WeakPolarHBondContact O-CB 3.4Å; S1091-R1095 PolarHBondContact O-N 2.71Å; P1092-R1095 PolarHBondContact O-N 3.27Å; R1095-K1099 WeakPolarHBondContact O-CG 3.44Å; R1095-K1099 PolarHBondContact O-N 2.98Å |
| 1096 | N | 92 | Very high | 91 | Very high | 78 Ų | 78 | 63.8 Ų | 63.8 | 42% | 0.417 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.5 | -38.9 | 176.9 | -72.1 | -18.5 | 0 | 0 | 0 | 112.1 | P1092 D1093 F1094 K1099 K1100 | P1092-N1096 VanDerWaalsContact O-CB 3.28Å; P1092-N1096 WeakPolarHBondContact O-CB 3.39Å; P1092-N1096 PolarHBondContact O-N 3.04Å; P1092-N1096 PolarHBondContact O-ND2 3.02Å; D1093-N1096 PolarHBondContact O-N 2.95Å; F1094-N1096 PolarHBondContact O-N 3.32Å; N1096-K1099 PolarHBondContact O-N 2.95Å; N1096-K1100 WeakPolarHBondContact O-CG 3.43Å; N1096-K1100 PolarHBondContact O-N 3.13Å |
| 1097 | A | 92.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A44 D48 L51 D1093 F1094 K1099 K1100 I1101 | A44-A1097 HydrophobicContact CB-CB 4.03Å; D48-A1097 HydrophobicContact CB-CB 4.05Å; D48-A1097 WeakPolarHBondContact OD2-CB 3.46Å; L51-A1097 HydrophobicContact CD1-CB 3.45Å; L51-A1097 VanDerWaalsContact CD1-CB 3.45Å; L51-A1097 HydrophobicContact CG-CB 4.41Å; D1093-A1097 PolarHBondContact O-N 3.05Å; F1094-A1097 PolarHBondContact O-N 2.82Å; F1094-A1097 VanDerWaalsContact O-N 3.11Å; A1097-K1099 VanDerWaalsContact C-N 3.34Å; A1097-K1099 PolarHBondContact O-N 3Å; A1097-K1100 WeakPolarHBondContact O-CB 3.3Å; A1097-K1100 PolarHBondContact O-N 3.42Å; A1097-K1100 VanDerWaalsContact O-N 3.13Å; A1097-I1101 WeakPolarHBondContact O-CG1 3.34Å; A1097-I1101 PolarHBondContact O-N 3.26Å |
| 1098 | F | 93.2 | Very high | 90.5 | Very high | 17 Ų | 17 | 70.2 Ų | 70.2 | 8% | 0.075 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 174.8 | -59.6 | -34.7 | 0 | 0 | 0 | 111.9 | F40 V41 A44 T1088 F1094 K1100 I1101 L1102 | F40-F1098 HydrophobicContact CB-CD1 4.3Å; F40-F1098 HydrophobicContact CB-CE1 4.07Å; F40-F1098 HydrophobicContact CD1-CD1 4.31Å; F40-F1098 WeakPolarHBondContact O-CE1 3.48Å; V41-F1098 HydrophobicContact CG2-CZ 4.05Å; A44-F1098 HydrophobicContact CB-CD1 3.96Å; A44-F1098 HydrophobicContact CB-CE1 3.68Å; T1088-F1098 HydrophobicContact CG2-CD2 3.77Å; T1088-F1098 HydrophobicContact CG2-CE2 3.73Å; F1094-F1098 HydrophobicContact CB-CD2 4.45Å; F1094-F1098 HydrophobicContact CB-CE2 3.92Å; F1094-F1098 HydrophobicContact CB-CZ 4.15Å; F1094-F1098 HydrophobicContact CD1-CE1 4.23Å; F1094-F1098 HydrophobicContact CD1-CE2 4.47Å; F1094-F1098 AromaticContact CD1-CZ 3.85Å; F1094-F1098 HydrophobicContact CD1-CZ 3.85Å; F1094-F1098 HydrophobicContact CG-CZ 4.45Å; F1094-F1098 VanDerWaalsContact O-CD2 3.23Å; F1094-F1098 WeakPolarHBondContact O-CD2 3.25Å; F1094-F1098 WeakPolarHBondContact O-CG 3.42Å; F1094-F1098 PolarHBondContact O-N 3.37Å; F1098-K1100 PolarHBondContact O-N 2.8Å; F1098-I1101 PolarHBondContact O-N 3.43Å; F1098-L1102 WeakPolarHBondContact O-CB 3.47Å; F1098-L1102 VanDerWaalsContact O-CG 3.32Å; F1098-L1102 WeakPolarHBondContact O-CG 3.4Å; F1098-L1102 PolarHBondContact O-N 2.89Å |
| 1099 | K | 92.5 | Very high | 90.3 | Very high | 132 Ų | 132 | 72 Ų | 72 | 57% | 0.574 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.3 | -42.4 | 172.3 | -78.6 | 177.7 | 176.5 | -172.8 | 0 | 112.4 | R1095 N1096 A1097 Y1103 | R1095-K1099 WeakPolarHBondContact O-CG 3.44Å; R1095-K1099 PolarHBondContact O-N 2.98Å; N1096-K1099 PolarHBondContact O-N 2.95Å; A1097-K1099 VanDerWaalsContact C-N 3.34Å; A1097-K1099 PolarHBondContact O-N 3Å; K1099-Y1103 VanDerWaalsContact O-CB 3.29Å; K1099-Y1103 WeakPolarHBondContact O-CB 3.24Å; K1099-Y1103 PolarHBondContact O-N 3.39Å |
| 1100 | K | 91.6 | Very high | 89.9 | Confident | 82 Ų | 82 | 73.7 Ų | 73.7 | 36% | 0.357 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 174.1 | -64.8 | 166.8 | -165.5 | 171 | 0 | 110.9 | D48 N1096 A1097 F1098 Y1103 H1104 | D48-K1100 IonicContact OD1-NZ 3.02Å; D48-K1100 PolarHBondContact OD1-NZ 3.09Å; D48-K1100 WeakPolarHBondContact OD2-CD 3.31Å; D48-K1100 WeakPolarHBondContact OD2-CE 3.17Å; D48-K1100 IonicContact OD2-NZ 2.78Å; D48-K1100 PolarHBondContact OD2-NZ 2.94Å; N1096-K1100 WeakPolarHBondContact O-CG 3.43Å; N1096-K1100 PolarHBondContact O-N 3.13Å; A1097-K1100 WeakPolarHBondContact O-CB 3.3Å; A1097-K1100 PolarHBondContact O-N 3.42Å; A1097-K1100 VanDerWaalsContact O-N 3.13Å; F1098-K1100 PolarHBondContact O-N 2.8Å; K1100-Y1103 PolarHBondContact O-N 3.1Å; K1100-H1104 PolarHBondContact O-CD2 2.96Å; K1100-H1104 PolarHBondContact O-N 3.34Å |
| 1101 | I | 90.9 | Very high | 89.1 | Confident | 16 Ų | 16 | 75.8 Ų | 75.8 | 8% | 0.082 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.9 | -50 | -179.8 | -65.9 | 161.5 | 0 | 0 | 0 | 111.1 | F40 I43 A44 A1097 F1098 Y1103 H1104 I1105 | F40-I1101 HydrophobicContact CD1-CG2 4.06Å; F40-I1101 HydrophobicContact CE1-CB 4.39Å; F40-I1101 HydrophobicContact CE1-CG2 3.64Å; I43-I1101 HydrophobicContact CG2-CD1 3.89Å; I43-I1101 HydrophobicContact CG2-CG1 4.37Å; I43-I1101 HydrophobicContact CG2-CG2 4.46Å; A44-I1101 HydrophobicContact CB-CD1 3.85Å; A1097-I1101 WeakPolarHBondContact O-CG1 3.34Å; A1097-I1101 PolarHBondContact O-N 3.26Å; F1098-I1101 PolarHBondContact O-N 3.43Å; I1101-Y1103 VanDerWaalsContact C-N 3.28Å; I1101-Y1103 PolarHBondContact O-N 2.96Å; I1101-H1104 PolarHBondContact O-N 3.47Å; I1101-H1104 VanDerWaalsContact O-N 3.1Å; I1101-I1105 HydrophobicContact CG2-CD1 3.7Å; I1101-I1105 HydrophobicContact CG2-CG1 4.29Å; I1101-I1105 WeakPolarHBondContact O-CG1 3.33Å; I1101-I1105 PolarHBondContact O-N 3.48Å |
| 1102 | L | 91.1 | Very high | 87.8 | Confident | 92 Ų | 92 | 82.6 Ų | 82.6 | 48% | 0.482 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.3 | -37.8 | 177.8 | -71.1 | 170.2 | 0 | 0 | 0 | 111.8 | F40 F1098 I1105 Y1106 | F40-L1102 HydrophobicContact CE1-CD2 3.88Å; F40-L1102 HydrophobicContact CE1-CG 4.18Å; F40-L1102 HydrophobicContact CZ-CD2 3.74Å; F1098-L1102 WeakPolarHBondContact O-CB 3.47Å; F1098-L1102 VanDerWaalsContact O-CG 3.32Å; F1098-L1102 WeakPolarHBondContact O-CG 3.4Å; F1098-L1102 PolarHBondContact O-N 2.89Å; L1102-I1105 PolarHBondContact O-N 2.99Å; L1102-Y1106 VanDerWaalsContact O-CB 3.26Å; L1102-Y1106 WeakPolarHBondContact O-CB 3.38Å; L1102-Y1106 PolarHBondContact O-N 3.46Å |
| 1103 | Y | 91.4 | Very high | 86.5 | Confident | 133 Ų | 133 | 88.7 Ų | 88.7 | 52% | 0.522 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 172.4 | -177 | -106.2 | 0 | 0 | 0 | 112.1 | K1099 K1100 I1101 Y1106 L1107 | K1099-Y1103 VanDerWaalsContact O-CB 3.29Å; K1099-Y1103 WeakPolarHBondContact O-CB 3.24Å; K1099-Y1103 PolarHBondContact O-N 3.39Å; K1100-Y1103 PolarHBondContact O-N 3.1Å; I1101-Y1103 VanDerWaalsContact C-N 3.28Å; I1101-Y1103 PolarHBondContact O-N 2.96Å; Y1103-Y1106 PolarHBondContact O-N 2.96Å; Y1103-L1107 HydrophobicContact CD1-CD1 3.94Å; Y1103-L1107 HydrophobicContact CD1-CG 4.33Å; Y1103-L1107 HydrophobicContact CE1-CD1 3.48Å; Y1103-L1107 VanDerWaalsContact CE1-CD1 3.48Å; Y1103-L1107 HydrophobicContact CE1-CD2 4.45Å; Y1103-L1107 HydrophobicContact CE1-CG 4.04Å; Y1103-L1107 HydrophobicContact CE2-CD2 4.46Å; Y1103-L1107 WeakPolarHBondContact O-CG 3.36Å; Y1103-L1107 PolarHBondContact O-N 3.46Å |
| 1104 | H | 88 | Confident | 85 | Confident | 111 Ų | 111 | 95.1 Ų | 95.1 | 51% | 0.514 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.2 | -42.3 | 175.1 | -79.2 | -67.9 | 0 | 0 | 0 | 112.6 | K1100 I1101 L1107 I1108 | K1100-H1104 PolarHBondContact O-CD2 2.96Å; K1100-H1104 PolarHBondContact O-N 3.34Å; I1101-H1104 PolarHBondContact O-N 3.47Å; I1101-H1104 VanDerWaalsContact O-N 3.1Å; H1104-L1107 PolarHBondContact O-N 3.49Å; H1104-I1108 WeakPolarHBondContact O-CD1 3.43Å; H1104-I1108 VanDerWaalsContact O-CG1 3.25Å; H1104-I1108 WeakPolarHBondContact O-CG1 3.35Å; H1104-I1108 PolarHBondContact O-N 3.05Å |
| 1105 | I | 88.3 | Confident | 82.7 | Confident | 66 Ų | 66 | 107.1 Ų | 107.1 | 34% | 0.338 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 174.3 | -68.9 | 171.1 | 0 | 0 | 0 | 110.3 | F40 I1101 L1102 L1107 I1108 I1109 | F40-I1105 HydrophobicContact CE1-CD1 4.15Å; F40-I1105 HydrophobicContact CZ-CD1 3.98Å; I1101-I1105 HydrophobicContact CG2-CD1 3.7Å; I1101-I1105 HydrophobicContact CG2-CG1 4.29Å; I1101-I1105 WeakPolarHBondContact O-CG1 3.33Å; I1101-I1105 PolarHBondContact O-N 3.48Å; L1102-I1105 PolarHBondContact O-N 2.99Å; I1105-L1107 PolarHBondContact O-N 2.94Å; I1105-I1108 PolarHBondContact O-N 2.73Å; I1105-I1108 VanDerWaalsContact O-N 3.16Å; I1105-I1109 HydrophobicContact CG2-CD1 3.61Å; I1105-I1109 HydrophobicContact CG2-CG1 4.33Å; I1105-I1109 WeakPolarHBondContact O-CG1 3.49Å; I1105-I1109 PolarHBondContact O-N 3.43Å |
| 1106 | Y | 89.7 | Confident | 82.2 | Confident | 126 Ų | 126 | 107.9 Ų | 107.9 | 49% | 0.494 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 175.4 | 174.4 | -94.2 | 0 | 0 | 0 | 112.3 | L1102 Y1103 I1108 I1109 F1110 | L1102-Y1106 VanDerWaalsContact O-CB 3.26Å; L1102-Y1106 WeakPolarHBondContact O-CB 3.38Å; L1102-Y1106 PolarHBondContact O-N 3.46Å; Y1103-Y1106 PolarHBondContact O-N 2.96Å; Y1106-I1108 PolarHBondContact O-N 2.91Å; Y1106-I1109 PolarHBondContact O-N 3.44Å; Y1106-F1110 AromaticContact CD2-CD2 3.3Å; Y1106-F1110 HydrophobicContact CD2-CD2 3.3Å; Y1106-F1110 AromaticContact CD2-CE2 3.73Å; Y1106-F1110 HydrophobicContact CD2-CE2 3.73Å; Y1106-F1110 HydrophobicContact CD2-CG 4.1Å; Y1106-F1110 HydrophobicContact CE2-CB 4.16Å; Y1106-F1110 AromaticContact CE2-CD2 3.48Å; Y1106-F1110 HydrophobicContact CE2-CD2 3.48Å; Y1106-F1110 VanDerWaalsContact CE2-CD2 3.48Å; Y1106-F1110 AromaticContact CE2-CE2 3.98Å; Y1106-F1110 HydrophobicContact CE2-CE2 3.98Å; Y1106-F1110 AromaticContact CE2-CG 3.84Å; Y1106-F1110 HydrophobicContact CE2-CG 3.84Å; Y1106-F1110 HydrophobicContact CG-CD2 4.07Å; Y1106-F1110 WeakPolarHBondContact O-CB 3.45Å; Y1106-F1110 WeakPolarHBondContact O-CD2 3.46Å; Y1106-F1110 PolarHBondContact O-N 2.95Å |
| 1107 | L | 89.7 | Confident | 81.6 | Confident | 42 Ų | 42 | 109.4 Ų | 109.4 | 22% | 0.22 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 174.1 | -70.2 | -179.3 | 0 | 0 | 0 | 112.1 | Y1103 H1104 I1105 K1111 K1112 | Y1103-L1107 HydrophobicContact CD1-CD1 3.94Å; Y1103-L1107 HydrophobicContact CD1-CG 4.33Å; Y1103-L1107 HydrophobicContact CE1-CD1 3.48Å; Y1103-L1107 VanDerWaalsContact CE1-CD1 3.48Å; Y1103-L1107 HydrophobicContact CE1-CD2 4.45Å; Y1103-L1107 HydrophobicContact CE1-CG 4.04Å; Y1103-L1107 HydrophobicContact CE2-CD2 4.46Å; Y1103-L1107 WeakPolarHBondContact O-CG 3.36Å; Y1103-L1107 PolarHBondContact O-N 3.46Å; H1104-L1107 PolarHBondContact O-N 3.49Å; I1105-L1107 PolarHBondContact O-N 2.94Å; L1107-K1111 HydrophobicContact CD2-CD 3.58Å; L1107-K1111 VanDerWaalsContact CD2-CE 3.45Å; L1107-K1111 HydrophobicContact CD2-CG 3.88Å; L1107-K1111 WeakPolarHBondContact O-CA 3.24Å; L1107-K1111 WeakPolarHBondContact O-CB 3.34Å; L1107-K1111 PolarHBondContact O-N 3.3Å; L1107-K1112 PolarHBondContact O-N 2.95Å |
| 1108 | I | 87.3 | Confident | 81 | Confident | 113 Ų | 113 | 115.4 Ų | 115.4 | 58% | 0.579 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.3 | -40.9 | -179.8 | -70 | 163.3 | 0 | 0 | 0 | 111.5 | H1104 I1105 Y1106 K1112 | H1104-I1108 WeakPolarHBondContact O-CD1 3.43Å; H1104-I1108 VanDerWaalsContact O-CG1 3.25Å; H1104-I1108 WeakPolarHBondContact O-CG1 3.35Å; H1104-I1108 PolarHBondContact O-N 3.05Å; I1105-I1108 PolarHBondContact O-N 2.73Å; I1105-I1108 VanDerWaalsContact O-N 3.16Å; Y1106-I1108 PolarHBondContact O-N 2.91Å; I1108-K1112 WeakPolarHBondContact O-CB 3.32Å |
| 1109 | I | 86.8 | Confident | 80.3 | Confident | 97 Ų | 97 | 121.2 Ų | 121.2 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -76.4 | -48.3 | -178.9 | -65.9 | 173.7 | 0 | 0 | 0 | 111.5 | I1105 Y1106 | I1105-I1109 HydrophobicContact CG2-CD1 3.61Å; I1105-I1109 HydrophobicContact CG2-CG1 4.33Å; I1105-I1109 WeakPolarHBondContact O-CG1 3.49Å; I1105-I1109 PolarHBondContact O-N 3.43Å; Y1106-I1109 PolarHBondContact O-N 3.44Å |
| 1110 | F | 83.7 | Confident | 79.6 | Confident | 126 Ų | 126 | 120.6 Ų | 120.6 | 55% | 0.553 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -98.4 | -37.4 | -168.1 | -66.9 | -84.8 | 0 | 0 | 0 | 114.2 | Y1106 | Y1106-F1110 AromaticContact CD2-CD2 3.3Å; Y1106-F1110 HydrophobicContact CD2-CD2 3.3Å; Y1106-F1110 AromaticContact CD2-CE2 3.73Å; Y1106-F1110 HydrophobicContact CD2-CE2 3.73Å; Y1106-F1110 HydrophobicContact CD2-CG 4.1Å; Y1106-F1110 HydrophobicContact CE2-CB 4.16Å; Y1106-F1110 AromaticContact CE2-CD2 3.48Å; Y1106-F1110 HydrophobicContact CE2-CD2 3.48Å; Y1106-F1110 VanDerWaalsContact CE2-CD2 3.48Å; Y1106-F1110 AromaticContact CE2-CE2 3.98Å; Y1106-F1110 HydrophobicContact CE2-CE2 3.98Å; Y1106-F1110 AromaticContact CE2-CG 3.84Å; Y1106-F1110 HydrophobicContact CE2-CG 3.84Å; Y1106-F1110 HydrophobicContact CG-CD2 4.07Å; Y1106-F1110 WeakPolarHBondContact O-CB 3.45Å; Y1106-F1110 WeakPolarHBondContact O-CD2 3.46Å; Y1106-F1110 PolarHBondContact O-N 2.95Å |
| 1111 | K | 72.7 | Confident | 78.8 | Confident | 127 Ų | 127 | 123.1 Ų | 123.1 | 55% | 0.552 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -81.9 | -24.9 | 178.7 | -66.5 | -153.4 | -171.5 | 175.6 | 0 | 113.7 | L1107 K1113 K1114 | L1107-K1111 HydrophobicContact CD2-CD 3.58Å; L1107-K1111 VanDerWaalsContact CD2-CE 3.45Å; L1107-K1111 HydrophobicContact CD2-CG 3.88Å; L1107-K1111 WeakPolarHBondContact O-CA 3.24Å; L1107-K1111 WeakPolarHBondContact O-CB 3.34Å; L1107-K1111 PolarHBondContact O-N 3.3Å; K1111-K1113 PolarHBondContact O-N 3.4Å; K1111-K1113 VanDerWaalsContact O-N 3.16Å; K1111-K1114 PolarHBondContact O-N 3.04Å |
| 1112 | K | 60.7 | Low | 77.9 | Confident | 164 Ų | 164 | 130.8 Ų | 130.8 | 71% | 0.713 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -72.5 | 0.6 | 175.4 | -150.2 | -175.8 | 177.1 | -172.3 | 0 | 113.9 | L1107 I1108 | L1107-K1112 PolarHBondContact O-N 2.95Å; I1108-K1112 WeakPolarHBondContact O-CB 3.32Å |
| 1113 | K | 61.3 | Low | 76.9 | Confident | 189 Ų | 189 | 133.8 Ų | 133.8 | 82% | 0.822 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -98.3 | 6.7 | 165.6 | -78 | -170.2 | 171.1 | -173.7 | 0 | 113.7 | K1111 | K1111-K1113 PolarHBondContact O-N 3.4Å; K1111-K1113 VanDerWaalsContact O-N 3.16Å |
| 1114 | K | 56.4 | Low | 75.7 | Confident | 187 Ų | 187 | 133.8 Ų | 133.8 | 81% | 0.813 | 60% | 0.602 | S | S | * | * | trans | -124.9 | 29 | -179.9 | -150.2 | 174.9 | -176.8 | 176.6 | 0 | 112.8 | K1111 | K1111-K1114 PolarHBondContact O-N 3.04Š| ||
| 1115 | F | 43.3 | Very low | 74.5 | Confident | 258 Ų | 258 | 135.9 Ų | 135.9 | 100% | 1.132 | 61% | 0.61 | S | S | * | * | trans | -146.8 | 0 | 169.6 | -101 | -77 | 0 | 0 | 0 | 107.1 |
Retrieved 1,115 of 1,115 residues in 317.7 ms
(Link to these results)