| 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 | 62.5 | Low | 79.5 | Confident | 121 Ų | 121 | 49.4 Ų | 49.4 | 60% | 0.596 | 24% | 0.236 | S | C | * | . | 0 | 137.7 | 0 | 177 | -178.5 | 167.1 | 0 | 0 | 107.7 | Y475 N476 S479 M604 | M1-Y475 WeakPolarHBondContact O-CA 3.4Å; M1-N476 PolarHBondContact N-O 2.96Å; M1-N476 PolarHBondContact O-N 2.93Å; M1-S479 WeakPolarHBondContact CB-OG 3.33Å; M1-S479 PolarHBondContact N-OG 3.27Å; M1-M604 HydrophobicContact CB-SD 4.17Å; M1-M604 PolarHBondContact N-SD 3.31Å | |||
| 2 | K | 73.7 | Confident | 80.4 | Confident | 43 Ų | 43 | 45.7 Ų | 45.7 | 19% | 0.187 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 136.6 | 168.6 | -71.2 | -175.5 | 171.5 | -167.6 | 0 | 108.9 | E5 M61 E430 L474 Y475 | K2-E5 WeakPolarHBondContact CD-OE2 3.43Å; K2-E5 IonicContact NZ-OE2 2.69Å; K2-E5 PolarHBondContact NZ-OE2 3.43Å; K2-M61 HydrophobicContact CB-CE 4Å; K2-E430 PolarHBondContact NZ-O 2.75Å; K2-L474 CarbonylContact C-O 3.55Å; K2-L474 WeakPolarHBondContact CA-O 3.49Å; K2-Y475 WeakPolarHBondContact CE-OH 3.49Å; K2-Y475 HydrophobicContact CG-CD1 4.39Å; K2-Y475 HydrophobicContact CG-CE1 3.74Å; K2-Y475 HydrophobicContact CG-CE2 4.46Å |
| 3 | V | 78.9 | Confident | 81.1 | Confident | 36 Ų | 36 | 42.5 Ų | 42.5 | 22% | 0.218 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | -49 | -177.3 | -176.7 | 0 | 0 | 0 | 0 | 110.9 | L462 L474 N476 | V3-L462 HydrophobicContact CG2-CD2 4.17Å; V3-L474 HydrophobicContact CB-CB 4.23Å; V3-L474 PolarHBondContact N-O 3.28Å; V3-N476 HydrophobicContact CG2-CB 3.56Å |
| 4 | K | 82.7 | Confident | 81.8 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 155.4 | 171.3 | -69.3 | -158.8 | 172.6 | -151.8 | 0 | 108.8 | F54 E58 N60 M61 S62 M63 L474 | K4-F54 HydrophobicContact CD-CD2 4.26Å; K4-F54 HydrophobicContact CD-CE2 4.17Å; K4-F54 HydrophobicContact CG-CE2 4.37Å; K4-E58 IonicContact NZ-OE2 3.52Å; K4-E58 PolarHBondContact NZ-OE2 2.85Å; K4-N60 VanDerWaalsContact CE-O 3.3Å; K4-N60 WeakPolarHBondContact CE-O 3.49Å; K4-N60 WeakPolarHBondContact CE-OD1 3.49Å; K4-N60 PolarHBondContact NZ-OD1 3.26Å; K4-M61 CarbonylContact C-O 3.59Å; K4-M61 WeakPolarHBondContact CA-O 3.43Å; K4-M61 WeakPolarHBondContact CB-O 3.46Å; K4-S62 PolarHBondContact NZ-O 3.27Å; K4-M63 HydrophobicContact CB-CE 4Å; K4-M63 HydrophobicContact CB-CG 4.2Å; K4-M63 HydrophobicContact CD-CG 3.79Å; K4-L474 HydrophobicContact CB-CD1 4.17Å; K4-L474 HydrophobicContact CB-CG 4.39Å; K4-L474 PolarHBondContact O-N 2.98Å |
| 5 | E | 83.6 | Confident | 82.2 | Confident | 49 Ų | 49 | 38.1 Ų | 38.1 | 23% | 0.229 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 150.7 | 176.8 | 63.7 | -156.7 | 159.9 | 0 | 0 | 110.7 | K2 M61 W471 I472 T473 | K2-E5 WeakPolarHBondContact CD-OE2 3.43Å; K2-E5 IonicContact NZ-OE2 2.69Å; K2-E5 PolarHBondContact NZ-OE2 3.43Å; E5-M61 HydrophobicContact CG-CB 4.38Å; E5-M61 HydrophobicContact CG-CE 4.17Å; E5-M61 PolarHBondContact N-O 3.19Å; E5-M61 WeakPolarHBondContact OE1-CE 3.28Å; E5-W471 HydrophobicContact CB-CE3 4.34Å; E5-W471 HydrophobicContact CB-CZ3 4.4Å; E5-W471 HydrophobicContact CG-CZ3 4.09Å; E5-I472 CarbonylContact C-O 3.56Å; E5-I472 WeakPolarHBondContact CA-O 3.44Å; E5-T473 HydrophobicContact CB-CG2 3.92Å |
| 6 | L | 83.9 | Confident | 82.1 | Confident | 25 Ų | 25 | 36.9 Ų | 36.9 | 13% | 0.131 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 113 | -178.3 | 174.3 | 69.2 | 0 | 0 | 0 | 108.1 | K8 T26 Y52 I472 | L6-K8 HydrophobicContact CG-CB 4.23Å; L6-K8 PolarHBondContact O-N 3.17Å; L6-K8 VanDerWaalsContact O-N 3.17Å; L6-T26 HydrophobicContact CD2-CG2 4.16Å; L6-Y52 HydrophobicContact CD1-CE1 3.82Å; L6-Y52 HydrophobicContact CD2-CD1 4.4Å; L6-Y52 HydrophobicContact CD2-CD2 4.21Å; L6-Y52 HydrophobicContact CD2-CE1 3.97Å; L6-Y52 HydrophobicContact CD2-CE2 3.8Å; L6-I472 HydrophobicContact CB-CB 4.28Å; L6-I472 HydrophobicContact CD2-CD1 4.47Å; L6-I472 PolarHBondContact N-O 2.8Å; L6-I472 WeakPolarHBondContact O-CB 3.34Å; L6-I472 PolarHBondContact O-N 3Å |
| 7 | E | 81 | Confident | 81.5 | Confident | 143 Ų | 143 | 40.2 Ų | 40.2 | 67% | 0.668 | 20% | 0.198 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 94.1 | 173.1 | -170.6 | 176.9 | -169.2 | 0 | 0 | 109 | W471 | E7-W471 HydrophobicContact CB-CD2 4.22Å; E7-W471 HydrophobicContact CB-CE3 4.08Å; E7-W471 HydrophobicContact CB-CH2 3.73Å; E7-W471 HydrophobicContact CB-CZ2 3.86Å; E7-W471 HydrophobicContact CB-CZ3 3.85Å; E7-W471 VanDerWaalsContact CD-CZ2 3.43Å; E7-W471 HydrophobicContact CG-CD2 4.31Å; E7-W471 HydrophobicContact CG-CH2 4.1Å; E7-W471 HydrophobicContact CG-CZ2 3.7Å |
| 8 | K | 75.1 | Confident | 81 | Confident | 32 Ų | 32 | 41.8 Ų | 41.8 | 14% | 0.139 | 21% | 0.213 | C | C | . | . | trans | -157 | 115.7 | 174.4 | -166.7 | -172.7 | 175.5 | -176 | 0 | 111.3 | L6 A10 T26 T48 D50 G470 | L6-K8 HydrophobicContact CG-CB 4.23Å; L6-K8 PolarHBondContact O-N 3.17Å; L6-K8 VanDerWaalsContact O-N 3.17Å; K8-A10 VanDerWaalsContact C-N 3.31Å; K8-A10 HydrophobicContact CD-CB 3.91Å; K8-A10 HydrophobicContact CG-CB 3.93Å; K8-A10 PolarHBondContact O-N 3.12Å; K8-T26 WeakPolarHBondContact CD-OG1 3.41Å; K8-T26 PolarHBondContact NZ-OG1 3.09Å; K8-T48 PolarHBondContact NZ-OG1 3.47Å; K8-D50 VanDerWaalsContact NZ-CG 3.32Å; K8-D50 IonicContact NZ-OD1 3.3Å; K8-D50 IonicContact NZ-OD2 3.39Å; K8-D50 PolarHBondContact NZ-OD2 3.03Å; K8-G470 CarbonylContact C-O 3.59Å; K8-G470 PolarHBondContact N-O 2.68Å; K8-G470 VanDerWaalsContact N-O 3.14Å | ||
| 9 | F | 80 | Confident | 80.4 | Confident | 53 Ų | 53 | 40.6 Ų | 40.6 | 23% | 0.232 | 21% | 0.209 | C | C | . | . | trans | -66.5 | 85.9 | 173.1 | -160.9 | -98 | 0 | 0 | 0 | 111.1 | A29 D31 N450 | F9-A29 HydrophobicContact CD1-CB 4.06Å; F9-A29 HydrophobicContact CE1-CB 4.26Å; F9-A29 PolarHBondContact O-N 3.46Å; F9-D31 HydrophobicContact CD1-CB 4.3Å; F9-D31 HydrophobicContact CE1-CB 3.47Å; F9-D31 VanDerWaalsContact CE1-CB 3.47Å; F9-D31 HydrophobicContact CZ-CB 3.86Å; F9-N450 WeakPolarHBondContact CE1-ND2 3.28Å; F9-N450 WeakPolarHBondContact CZ-ND2 3.26Å | ||
| 10 | A | 85.3 | Confident | 80 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 148.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K8 A27 | K8-A10 VanDerWaalsContact C-N 3.31Å; K8-A10 HydrophobicContact CD-CB 3.91Å; K8-A10 HydrophobicContact CG-CB 3.93Å; K8-A10 PolarHBondContact O-N 3.12Å; A10-A27 CarbonylContact C-O 3.5Å; A10-A27 WeakPolarHBondContact CA-O 3.43Å; A10-A27 VanDerWaalsContact CB-O 3.26Å; A10-A27 WeakPolarHBondContact CB-O 3.27Å |
| 11 | H | 87.8 | Confident | 79.9 | Confident | 36 Ų | 36 | 51.2 Ų | 51.2 | 17% | 0.167 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 129.6 | 167.7 | -78.7 | 100.6 | 0 | 0 | 0 | 110.1 | T26 A27 A75 T76 L78 N450 | H11-T26 CarbonylContact O-C 3.58Å; H11-T26 VanDerWaalsContact O-CA 3.31Å; H11-T26 WeakPolarHBondContact O-CA 3.16Å; H11-A27 PolarHBondContact N-O 2.87Å; H11-A27 PolarHBondContact O-N 3.13Å; H11-A75 PolarHBondContact CE1-O 3.39Å; H11-A75 PolarHBondContact ND1-O 3.37Å; H11-T76 PolarHBondContact CE1-O 2.93Å; H11-L78 HydrophobicContact CB-CB 3.8Å; H11-L78 VanDerWaalsContact O-CD2 3.23Å; H11-L78 WeakPolarHBondContact O-CD2 2.99Å; H11-N450 PolarHBondContact CE1-OD1 2.91Å; H11-N450 PolarHBondContact NE2-OD1 3.48Å |
| 12 | S | 90.2 | Very high | 81 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 140.6 | -179.6 | 56.9 | 0 | 0 | 0 | 0 | 113.4 | A25 Q454 T466 | S12-A25 WeakPolarHBondContact CA-O 3.13Å; S12-Q454 PolarHBondContact O-NE2 3.45Å; S12-Q454 PolarHBondContact OG-NE2 2.93Å; S12-T466 WeakPolarHBondContact OG-CG2 2.91Å |
| 13 | A | 90.4 | Very high | 81.7 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 141.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A25 L78 W80 | A13-A25 PolarHBondContact N-O 3.3Å; A13-A25 PolarHBondContact O-N 2.73Å; A13-L78 HydrophobicContact CB-CD2 3.8Å; A13-L78 HydrophobicContact CB-CG 3.8Å; A13-W80 HydrophobicContact CB-CB 4.13Å |
| 14 | W | 90.3 | Very high | 82.3 | Confident | 17 Ų | 17 | 42.4 Ų | 42.4 | 6% | 0.064 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 147.2 | -177.5 | -69.8 | 92.2 | 0 | 0 | 0 | 113.5 | T22 L24 F54 I456 P457 C464 L474 | W14-T22 HydrophobicContact CE3-CG2 3.58Å; W14-T22 HydrophobicContact CZ3-CG2 3.71Å; W14-L24 HydrophobicContact CD2-CD1 4.19Å; W14-L24 HydrophobicContact CE3-CB 4.1Å; W14-L24 HydrophobicContact CH2-CB 4.01Å; W14-L24 HydrophobicContact CH2-CD2 4.37Å; W14-L24 HydrophobicContact CZ2-CB 4.4Å; W14-L24 HydrophobicContact CZ2-CD1 4.05Å; W14-L24 HydrophobicContact CZ2-CD2 4.33Å; W14-L24 HydrophobicContact CZ2-CG 4.5Å; W14-L24 HydrophobicContact CZ3-CB 3.85Å; W14-F54 HydrophobicContact CH2-CG 4.38Å; W14-F54 HydrophobicContact CZ3-CB 4.1Å; W14-F54 HydrophobicContact CZ3-CD1 4.35Å; W14-F54 HydrophobicContact CZ3-CG 4.24Å; W14-I456 HydrophobicContact CD2-CG2 4.24Å; W14-I456 HydrophobicContact CE3-CG2 3.95Å; W14-I456 HydrophobicContact CH2-CD1 3.95Å; W14-I456 HydrophobicContact CH2-CG1 4.3Å; W14-I456 HydrophobicContact CH2-CG2 4.07Å; W14-I456 HydrophobicContact CZ2-CD1 3.92Å; W14-I456 HydrophobicContact CZ2-CG1 3.95Å; W14-I456 HydrophobicContact CZ2-CG2 4.36Å; W14-I456 HydrophobicContact CZ3-CG2 3.85Å; W14-P457 HydrophobicContact CB-CG 3.74Å; W14-P457 HydrophobicContact CG-CG 4.48Å; W14-C464 HydrophobicContact CZ2-CB 3.78Å; W14-L474 HydrophobicContact CH2-CD1 4.21Å; W14-L474 HydrophobicContact CH2-CD2 4.16Å; W14-L474 HydrophobicContact CZ2-CD2 3.77Å |
| 15 | S | 87.8 | Confident | 82.8 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 143.6 | 174.6 | 61.5 | 0 | 0 | 0 | 0 | 112.9 | Y23 P457 | S15-Y23 PolarHBondContact N-O 2.54Å; S15-Y23 PolarHBondContact OG-N 3Å; S15-Y23 PolarHBondContact OG-O 3.37Å; S15-P457 WeakPolarHBondContact O-CG 3.17Å |
| 16 | P | 80.7 | Confident | 83.2 | Confident | 19 Ų | 19 | 40 Ų | 40 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 152.3 | 179.4 | 25.7 | -34.9 | 0 | 0 | 0 | 113.5 | S18 C19 | P16-S18 PolarHBondContact O-N 3.41Å; P16-C19 PolarHBondContact O-N 2.87Å |
| 17 | L | 72.7 | Confident | 83.5 | Confident | 94 Ų | 94 | 38.8 Ų | 38.8 | 49% | 0.492 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -12 | 178.6 | -70 | 168.6 | 0 | 0 | 0 | 115.2 | C19 P457 N458 | L17-C19 VanDerWaalsContact C-N 3.26Å; L17-P457 HydrophobicContact CD2-CB 3.72Å; L17-P457 HydrophobicContact CG-CB 4.22Å; L17-N458 WeakPolarHBondContact CD2-OD1 3.21Å |
| 18 | S | 71.2 | Confident | 83.8 | Confident | 68 Ų | 68 | 33.4 Ų | 33.4 | 48% | 0.476 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -16.4 | 174.4 | 51.7 | 0 | 0 | 0 | 0 | 113.6 | P16 P83 | P16-S18 PolarHBondContact O-N 3.41Å; S18-P83 WeakPolarHBondContact OG-CG 3.41Å |
| 19 | C | 70.6 | Confident | 84.2 | Confident | 19 Ų | 19 | 32 Ų | 32 | 13% | 0.128 | 17% | 0.166 | C | C | . | . | trans | -87.3 | 133.5 | -178.7 | -155.2 | 0 | 0 | 0 | 0 | 112.3 | P16 L17 R21 L91 N458 | P16-C19 PolarHBondContact O-N 2.87Å; L17-C19 VanDerWaalsContact C-N 3.26Å; C19-R21 VanDerWaalsContact CB-O 3.32Å; C19-R21 WeakPolarHBondContact CB-O 3.44Å; C19-R21 PolarHBondContact O-N 3.3Å; C19-R21 PolarHBondContact SG-O 3.46Å; C19-R21 VanDerWaalsContact SG-O 3.34Å; C19-L91 HydrophobicContact CB-CD2 4.08Å; C19-N458 PolarHBondContact O-ND2 2.83Å | ||
| 20 | N | 72.2 | Confident | 83.8 | Confident | 174 Ų | 174 | 32.5 Ų | 32.5 | 93% | 0.93 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -67.3 | -15 | 174.9 | -75.3 | -18 | 0 | 0 | 0 | 113.8 | ||
| 21 | R | 77.4 | Confident | 82.8 | Confident | 130 Ų | 130 | 34.3 Ų | 34.3 | 49% | 0.491 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -123.1 | 141.2 | 174.1 | -72.5 | 177.7 | 174.4 | -157.7 | 6.2 | 108 | C19 Y23 E53 | C19-R21 VanDerWaalsContact CB-O 3.32Å; C19-R21 WeakPolarHBondContact CB-O 3.44Å; C19-R21 PolarHBondContact O-N 3.3Å; C19-R21 PolarHBondContact SG-O 3.46Å; C19-R21 VanDerWaalsContact SG-O 3.34Å; R21-Y23 HydrophobicContact CB-CE2 3.8Å; R21-Y23 WeakPolarHBondContact CD-OH 3.26Å; R21-E53 VanDerWaalsContact CD-OE1 3.25Å; R21-E53 WeakPolarHBondContact CD-OE1 3.44Å; R21-E53 IonicContact CZ-OE1 3.27Å; R21-E53 VanDerWaalsContact CZ-OE1 3.24Å; R21-E53 IonicContact NE-OE1 2.94Å; R21-E53 PolarHBondContact NE-OE1 3.28Å; R21-E53 VanDerWaalsContact NH1-CD 3.28Å; R21-E53 IonicContact NH1-OE1 2.69Å; R21-E53 PolarHBondContact NH1-OE1 2.8Å; R21-E53 IonicContact NH1-OE2 2.74Å; R21-E53 PolarHBondContact NH1-OE2 3.46Å; R21-E53 VanDerWaalsContact NH1-OE2 3.1Å |
| 22 | T | 85.8 | Confident | 81.1 | Confident | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 126.6 | 176.8 | -57.3 | 0 | 0 | 0 | 0 | 108.9 | W14 F54 I456 P457 N458 | W14-T22 HydrophobicContact CE3-CG2 3.58Å; W14-T22 HydrophobicContact CZ3-CG2 3.71Å; T22-F54 HydrophobicContact CG2-CD1 4.34Å; T22-F54 WeakPolarHBondContact O-CB 3.41Å; T22-F54 PolarHBondContact O-N 3.04Å; T22-I456 HydrophobicContact CG2-CG2 3.92Å; T22-P457 PolarHBondContact OG1-O 2.88Å; T22-N458 PolarHBondContact OG1-ND2 3.4Å |
| 23 | Y | 89.1 | Confident | 79.2 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 4% | 0.039 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 149.6 | 177.2 | -56.3 | -83.8 | 0 | 0 | 0 | 111 | S15 R21 I51 Y52 E53 I112 | S15-Y23 PolarHBondContact N-O 2.54Å; S15-Y23 PolarHBondContact OG-N 3Å; S15-Y23 PolarHBondContact OG-O 3.37Å; R21-Y23 HydrophobicContact CB-CE2 3.8Å; R21-Y23 WeakPolarHBondContact CD-OH 3.26Å; Y23-I51 HydrophobicContact CD1-CG2 4.34Å; Y23-Y52 WeakPolarHBondContact CA-O 3.24Å; Y23-E53 HydrophobicContact CD1-CB 4Å; Y23-E53 HydrophobicContact CD1-CG 4.08Å; Y23-E53 HydrophobicContact CE1-CB 4.05Å; Y23-E53 HydrophobicContact CE1-CG 3.84Å; Y23-I112 HydrophobicContact CD2-CD1 4Å; Y23-I112 HydrophobicContact CE2-CD1 4.02Å; Y23-I112 HydrophobicContact CG-CD1 4.41Å |
| 24 | L | 91.3 | Very high | 76.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 120.2 | 173.9 | 171.2 | 63.3 | 0 | 0 | 0 | 108.8 | W14 T26 I51 Y52 M63 I472 | W14-L24 HydrophobicContact CD2-CD1 4.19Å; W14-L24 HydrophobicContact CE3-CB 4.1Å; W14-L24 HydrophobicContact CH2-CB 4.01Å; W14-L24 HydrophobicContact CH2-CD2 4.37Å; W14-L24 HydrophobicContact CZ2-CB 4.4Å; W14-L24 HydrophobicContact CZ2-CD1 4.05Å; W14-L24 HydrophobicContact CZ2-CD2 4.33Å; W14-L24 HydrophobicContact CZ2-CG 4.5Å; W14-L24 HydrophobicContact CZ3-CB 3.85Å; L24-T26 HydrophobicContact CD1-CG2 4.33Å; L24-T26 HydrophobicContact CD2-CG2 4.17Å; L24-T26 HydrophobicContact CG-CG2 3.94Å; L24-I51 WeakPolarHBondContact O-CA 3.49Å; L24-Y52 PolarHBondContact N-O 2.91Å; L24-Y52 PolarHBondContact O-N 3.4Å; L24-M63 HydrophobicContact CD2-CE 3.95Å; L24-M63 HydrophobicContact CD2-SD 3.69Å; L24-I472 HydrophobicContact CD2-CG2 4.42Å |
| 25 | A | 92.3 | Very high | 74.4 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 136.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | S12 A13 L49 D50 I51 L78 W80 L94 | S12-A25 WeakPolarHBondContact CA-O 3.13Å; A13-A25 PolarHBondContact N-O 3.3Å; A13-A25 PolarHBondContact O-N 2.73Å; A25-L49 HydrophobicContact CB-CD1 4.34Å; A25-D50 CarbonylContact C-O 3.58Å; A25-D50 WeakPolarHBondContact CA-O 3.12Å; A25-I51 HydrophobicContact CB-CG1 4.5Å; A25-L78 HydrophobicContact CB-CD2 4.24Å; A25-W80 HydrophobicContact CB-CE3 3.89Å; A25-W80 HydrophobicContact CB-CZ3 3.83Å; A25-L94 HydrophobicContact CB-CD1 4.04Å; A25-L94 HydrophobicContact CB-CD2 3.59Å; A25-L94 HydrophobicContact CB-CG 4.5Å |
| 26 | T | 91.7 | Very high | 71.9 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 122.8 | 173.3 | 74.9 | 0 | 0 | 0 | 0 | 111.3 | L6 K8 H11 L24 L49 D50 Y52 I472 | L6-T26 HydrophobicContact CD2-CG2 4.16Å; K8-T26 WeakPolarHBondContact CD-OG1 3.41Å; K8-T26 PolarHBondContact NZ-OG1 3.09Å; H11-T26 CarbonylContact O-C 3.58Å; H11-T26 VanDerWaalsContact O-CA 3.31Å; H11-T26 WeakPolarHBondContact O-CA 3.16Å; L24-T26 HydrophobicContact CD1-CG2 4.33Å; L24-T26 HydrophobicContact CD2-CG2 4.17Å; L24-T26 HydrophobicContact CG-CG2 3.94Å; T26-L49 WeakPolarHBondContact O-CA 3.36Å; T26-D50 PolarHBondContact N-O 3.37Å; T26-D50 PolarHBondContact O-N 3.05Å; T26-Y52 HydrophobicContact CG2-CD2 4.23Å; T26-Y52 HydrophobicContact CG2-CE2 4.07Å; T26-Y52 WeakPolarHBondContact OG1-CE2 3.43Å; T26-I472 HydrophobicContact CG2-CD1 3.9Å |
| 27 | A | 90.4 | Very high | 69.6 | Low | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | A10 H11 A29 L49 A75 L78 I96 | A10-A27 CarbonylContact C-O 3.5Å; A10-A27 WeakPolarHBondContact CA-O 3.43Å; A10-A27 VanDerWaalsContact CB-O 3.26Å; A10-A27 WeakPolarHBondContact CB-O 3.27Å; H11-A27 PolarHBondContact N-O 2.87Å; H11-A27 PolarHBondContact O-N 3.13Å; A27-A29 PolarHBondContact O-N 3.26Å; A27-L49 HydrophobicContact CB-CD1 4.17Å; A27-A75 HydrophobicContact CB-CB 3.51Å; A27-L78 HydrophobicContact CB-CB 4.49Å; A27-L78 HydrophobicContact CB-CD1 4.12Å; A27-L78 HydrophobicContact CB-CD2 4.01Å; A27-L78 HydrophobicContact CB-CG 4.44Å; A27-I96 HydrophobicContact CB-CD1 3.83Å; A27-I96 HydrophobicContact CB-CG1 4.2Å |
| 28 | T | 88.2 | Confident | 67.4 | Low | 29 Ų | 29 | 56.9 Ų | 56.9 | 18% | 0.178 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 120.2 | -176.7 | -55.8 | 0 | 0 | 0 | 0 | 110.4 | P47 T48 A75 | T28-P47 HydrophobicContact CG2-CB 4.39Å; T28-T48 PolarHBondContact N-O 2.95Å; T28-T48 PolarHBondContact OG1-N 3.43Å; T28-T48 PolarHBondContact OG1-O 3.42Å; T28-T48 PolarHBondContact OG1-OG1 2.98Å; T28-A75 PolarHBondContact O-N 3.04Å |
| 29 | A | 83.7 | Confident | 65.4 | Low | 3 Ų | 3 | 60.9 Ų | 60.9 | 3% | 0.025 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -86.9 | 159.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F9 A27 A75 N450 | F9-A29 HydrophobicContact CD1-CB 4.06Å; F9-A29 HydrophobicContact CE1-CB 4.26Å; F9-A29 PolarHBondContact O-N 3.46Å; A27-A29 PolarHBondContact O-N 3.26Å; A29-A75 WeakPolarHBondContact CA-O 3.27Å; A29-N450 VanDerWaalsContact CB-ND2 3.29Å; A29-N450 WeakPolarHBondContact CB-ND2 3.45Å; A29-N450 WeakPolarHBondContact CB-OD1 3.49Å |
| 30 | E | 71.6 | Confident | 63.7 | Low | 63 Ų | 63 | 67 Ų | 67 | 29% | 0.294 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 139.5 | 170.9 | -159.6 | 140.4 | 156.6 | 0 | 0 | 110.9 | K74 M99 | E30-K74 HydrophobicContact CB-CB 3.99Å; E30-K74 HydrophobicContact CB-CD 4.04Å; E30-K74 HydrophobicContact CG-CB 4.47Å; E30-K74 HydrophobicContact CG-CD 3.91Å; E30-K74 WeakPolarHBondContact OE2-CB 3.36Å; E30-M99 VanDerWaalsContact CD-CG 3.41Å; E30-M99 HydrophobicContact CG-CE 4.36Å; E30-M99 HydrophobicContact CG-CG 4.35Å; E30-M99 VanDerWaalsContact OE2-CG 3.24Å; E30-M99 WeakPolarHBondContact OE2-CG 3.31Å |
| 31 | D | 63.7 | Low | 61.7 | Low | 41 Ų | 41 | 66.7 Ų | 66.7 | 22% | 0.219 | 37% | 0.374 | C | S | . | . | trans | -111.6 | 106 | -179.5 | -169.6 | 3.9 | 0 | 0 | 0 | 110.3 | F9 R33 E34 | F9-D31 HydrophobicContact CD1-CB 4.3Å; F9-D31 HydrophobicContact CE1-CB 3.47Å; F9-D31 VanDerWaalsContact CE1-CB 3.47Å; F9-D31 HydrophobicContact CZ-CB 3.86Å; D31-R33 PolarHBondContact O-N 3.16Å; D31-R33 VanDerWaalsContact OD1-CB 3.22Å; D31-R33 WeakPolarHBondContact OD1-CB 3.31Å; D31-R33 WeakPolarHBondContact OD1-CD 3.43Å; D31-R33 WeakPolarHBondContact OD1-CG 3.46Å; D31-R33 PolarHBondContact OD1-N 3.41Å; D31-E34 HydrophobicContact CB-CG 4.24Å; D31-E34 PolarHBondContact O-N 3.02Å | ||
| 32 | D | 52.4 | Low | 59.5 | Low | 71 Ų | 71 | 64.8 Ų | 64.8 | 38% | 0.38 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -60.3 | -14.9 | 175.6 | -73.2 | -34.6 | 0 | 0 | 0 | 112.2 | T449 | D32-T449 WeakPolarHBondContact OD2-CG2 3.48Š|
| 33 | R | 49.9 | Very low | 57 | Low | 96 Ų | 96 | 69.8 Ų | 69.8 | 36% | 0.362 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -71.3 | -26.1 | 177.3 | -60.5 | 166.9 | 172.5 | 142.3 | -4.5 | 113.7 | D31 A35 S468 | D31-R33 PolarHBondContact O-N 3.16Å; D31-R33 VanDerWaalsContact OD1-CB 3.22Å; D31-R33 WeakPolarHBondContact OD1-CB 3.31Å; D31-R33 WeakPolarHBondContact OD1-CD 3.43Å; D31-R33 WeakPolarHBondContact OD1-CG 3.46Å; D31-R33 PolarHBondContact OD1-N 3.41Å; R33-A35 PolarHBondContact O-N 3.41Å; R33-A35 VanDerWaalsContact O-N 3.08Å; R33-S468 PolarHBondContact NH1-O 2.82Å; R33-S468 PolarHBondContact NH2-O 3.12Å |
| 34 | E | 40.4 | Very low | 54.9 | Low | 104 Ų | 104 | 77 Ų | 77 | 49% | 0.486 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -62.1 | -20.2 | -176.6 | -69.1 | -173.9 | 124 | 0 | 0 | 112.9 | D31 T36 K74 | D31-E34 HydrophobicContact CB-CG 4.24Å; D31-E34 PolarHBondContact O-N 3.02Å; E34-T36 VanDerWaalsContact C-N 3.3Å; E34-T36 PolarHBondContact O-N 3.04Å; E34-T36 VanDerWaalsContact O-N 3.17Å; E34-K74 IonicContact OE1-NZ 2.79Å; E34-K74 IonicContact OE2-NZ 2.69Å; E34-K74 PolarHBondContact OE2-NZ 3.25Å |
| 35 | A | 38.9 | Very low | 53.6 | Low | 88 Ų | 88 | 82.9 Ų | 82.9 | 73% | 0.727 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -72.4 | -4.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | R33 | R33-A35 PolarHBondContact O-N 3.41Å; R33-A35 VanDerWaalsContact O-N 3.08Å |
| 36 | T | 36.3 | Very low | 52.7 | Low | 121 Ų | 121 | 85.7 Ų | 85.7 | 74% | 0.742 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -130.6 | -4.4 | -169.1 | 60.3 | 0 | 0 | 0 | 0 | 117 | E34 | E34-T36 VanDerWaalsContact C-N 3.3Å; E34-T36 PolarHBondContact O-N 3.04Å; E34-T36 VanDerWaalsContact O-N 3.17Å |
| 37 | G | 31.3 | Very low | 52.4 | Low | 64 Ų | 64 | 86.8 Ų | 86.8 | 66% | 0.66 | 51% | 0.513 | S | S | * | . | trans | -118.5 | 95.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 38 | S | 27.3 | Very low | 52.4 | Low | 108 Ų | 108 | 87.9 Ų | 87.9 | 76% | 0.755 | 52% | 0.52 | S | S | * | . | trans | -73.4 | 130.1 | 169.8 | 59.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 39 | N | 28.6 | Very low | 52.5 | Low | 151 Ų | 151 | 86.6 Ų | 86.6 | 81% | 0.807 | 51% | 0.512 | S | S | * | . | S | Bend | trans | 87.2 | 71.3 | 173 | -45.8 | -33.2 | 0 | 0 | 0 | 117.4 | ||
| 40 | I | 36 | Very low | 52.8 | Low | 149 Ų | 149 | 87 Ų | 87 | 76% | 0.764 | 51% | 0.513 | S | S | * | . | trans | -149.6 | 152.5 | 144.4 | -91.4 | 131 | 0 | 0 | 0 | 107.7 | T42 | I40-T42 HydrophobicContact CG2-CG2 4.33Å; I40-T42 PolarHBondContact O-N 3.08Å | ||
| 41 | N | 28.8 | Very low | 53.8 | Low | 167 Ų | 167 | 84.1 Ų | 84.1 | 89% | 0.893 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -90.6 | 77.6 | -164.4 | -63.2 | -33 | 0 | 0 | 0 | 114.3 | ||
| 42 | T | 32.2 | Very low | 54.9 | Low | 89 Ų | 89 | 83 Ų | 83 | 55% | 0.546 | 49% | 0.492 | S | S | . | . | trans | -117.2 | 0.6 | 178.3 | 50.6 | 0 | 0 | 0 | 0 | 115.3 | I40 I44 | I40-T42 HydrophobicContact CG2-CG2 4.33Å; I40-T42 PolarHBondContact O-N 3.08Å; T42-I44 PolarHBondContact O-N 3.01Å | ||
| 43 | S | 32.5 | Very low | 56.5 | Low | 112 Ų | 112 | 81.5 Ų | 81.5 | 78% | 0.783 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | 38.8 | -161.6 | 65.8 | 0 | 0 | 0 | 0 | 117.2 | ||
| 44 | I | 46.2 | Very low | 58.1 | Low | 162 Ų | 162 | 77.4 Ų | 77.4 | 83% | 0.831 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.8 | -12.3 | -172 | -58.6 | -177.1 | 0 | 0 | 0 | 115 | T42 S46 | T42-I44 PolarHBondContact O-N 3.01Å; I44-S46 PolarHBondContact O-N 3.48Å |
| 45 | T | 62.4 | Low | 59.9 | Low | 123 Ų | 123 | 75.1 Ų | 75.1 | 76% | 0.755 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 117.4 | -176.1 | 42.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 46 | S | 74.4 | Confident | 61.6 | Low | 58 Ų | 58 | 74.2 Ų | 74.2 | 41% | 0.406 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 136.5 | 169.4 | 56.4 | 0 | 0 | 0 | 0 | 110.9 | I44 | I44-S46 PolarHBondContact O-N 3.48Š|
| 47 | P | 85.6 | Confident | 63.3 | Low | 23 Ų | 23 | 76.7 Ų | 76.7 | 15% | 0.149 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 138.1 | 179.6 | 27.9 | -32.3 | 0 | 0 | 0 | 111.4 | T28 I71 K74 | T28-P47 HydrophobicContact CG2-CB 4.39Å; P47-I71 HydrophobicContact CB-CD1 4.33Å; P47-I71 HydrophobicContact CB-CG1 3.9Å; P47-I71 HydrophobicContact CG-CG1 4.2Å; P47-I71 WeakPolarHBondContact O-CG1 3.5Å; P47-I71 PolarHBondContact O-N 3.23Å; P47-K74 HydrophobicContact CB-CG 4.13Å |
| 48 | T | 89 | Confident | 65 | Low | 24 Ų | 24 | 77.3 Ų | 77.3 | 15% | 0.147 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 149.8 | 178.3 | 75.5 | 0 | 0 | 0 | 0 | 113.6 | K8 T28 D50 L69 | K8-T48 PolarHBondContact NZ-OG1 3.47Å; T28-T48 PolarHBondContact N-O 2.95Å; T28-T48 PolarHBondContact OG1-N 3.43Å; T28-T48 PolarHBondContact OG1-O 3.42Å; T28-T48 PolarHBondContact OG1-OG1 2.98Å; T48-D50 VanDerWaalsContact CB-OD1 3.29Å; T48-D50 WeakPolarHBondContact CB-OD1 3.36Å; T48-D50 PolarHBondContact OG1-OD1 3.21Å; T48-D50 PolarHBondContact OG1-OD2 2.63Å; T48-L69 CarbonylContact C-O 3.57Å; T48-L69 VanDerWaalsContact CA-O 3.25Å; T48-L69 WeakPolarHBondContact CA-O 3.22Å |
| 49 | L | 91.1 | Very high | 66.6 | Low | 2 Ų | 2 | 78.5 Ų | 78.5 | 1% | 0.01 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 110.7 | 159.5 | 170.1 | 62.4 | 0 | 0 | 0 | 108 | A25 T26 A27 L69 I71 L78 L94 I96 Y106 L111 | A25-L49 HydrophobicContact CB-CD1 4.34Å; T26-L49 WeakPolarHBondContact O-CA 3.36Å; A27-L49 HydrophobicContact CB-CD1 4.17Å; L49-L69 HydrophobicContact CB-CB 4.4Å; L49-L69 HydrophobicContact CD2-CD2 4.25Å; L49-L69 PolarHBondContact N-O 3.39Å; L49-L69 WeakPolarHBondContact O-CB 3.26Å; L49-L69 PolarHBondContact O-N 3.22Å; L49-I71 HydrophobicContact CB-CG2 3.77Å; L49-L78 HydrophobicContact CD1-CD1 4.42Å; L49-L94 HydrophobicContact CD2-CD1 4.46Å; L49-I96 HydrophobicContact CB-CD1 4.34Å; L49-I96 HydrophobicContact CD1-CD1 4.44Å; L49-I96 HydrophobicContact CD2-CD1 4.19Å; L49-Y106 HydrophobicContact CD2-CD2 4.06Å; L49-Y106 HydrophobicContact CD2-CE2 4.49Å; L49-Y106 HydrophobicContact CD2-CG 4.32Å; L49-L111 HydrophobicContact CD2-CD1 4.45Å |
| 50 | D | 90.3 | Very high | 68.6 | Low | 10 Ų | 10 | 74 Ų | 74 | 5% | 0.053 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 148.5 | 179.8 | -56.7 | -21.5 | 0 | 0 | 0 | 110.7 | K8 A25 T26 T48 Y52 M65 V67 S68 | K8-D50 VanDerWaalsContact NZ-CG 3.32Å; K8-D50 IonicContact NZ-OD1 3.3Å; K8-D50 IonicContact NZ-OD2 3.39Å; K8-D50 PolarHBondContact NZ-OD2 3.03Å; A25-D50 CarbonylContact C-O 3.58Å; A25-D50 WeakPolarHBondContact CA-O 3.12Å; T26-D50 PolarHBondContact N-O 3.37Å; T26-D50 PolarHBondContact O-N 3.05Å; T48-D50 VanDerWaalsContact CB-OD1 3.29Å; T48-D50 WeakPolarHBondContact CB-OD1 3.36Å; T48-D50 PolarHBondContact OG1-OD1 3.21Å; T48-D50 PolarHBondContact OG1-OD2 2.63Å; D50-Y52 HydrophobicContact CB-CD2 4.39Å; D50-Y52 HydrophobicContact CB-CE2 3.56Å; D50-Y52 PolarHBondContact OD2-OH 3.43Å; D50-M65 HydrophobicContact CB-CG 4.32Å; D50-M65 HydrophobicContact CB-SD 3.95Å; D50-V67 CarbonylContact C-O 3.54Å; D50-V67 VanDerWaalsContact CA-O 3.31Å; D50-V67 WeakPolarHBondContact CA-O 3.45Å; D50-S68 WeakPolarHBondContact OD1-CA 3.37Å; D50-S68 WeakPolarHBondContact OD1-CB 3.34Å; D50-S68 PolarHBondContact OD1-OG 2.85Å |
| 51 | I | 91.3 | Very high | 70.2 | Confident | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.015 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 122.1 | 174.8 | -56.7 | 178.8 | 0 | 0 | 0 | 109.3 | Y23 L24 A25 N66 V67 L94 L111 I112 | Y23-I51 HydrophobicContact CD1-CG2 4.34Å; L24-I51 WeakPolarHBondContact O-CA 3.49Å; A25-I51 HydrophobicContact CB-CG1 4.5Å; I51-N66 PolarHBondContact O-N 3.48Å; I51-V67 PolarHBondContact N-O 3.38Å; I51-V67 PolarHBondContact O-N 2.91Å; I51-L94 HydrophobicContact CD1-CD1 4.1Å; I51-L111 HydrophobicContact CD1-CB 3.92Å; I51-L111 HydrophobicContact CD1-CD1 4.21Å; I51-I112 HydrophobicContact CD1-CG1 4.4Å |
| 52 | Y | 88.4 | Confident | 72.3 | Confident | 17 Ų | 17 | 66 Ų | 66 | 7% | 0.067 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 146.1 | 177.9 | -58.9 | -100.4 | 0 | 0 | 0 | 110.4 | L6 Y23 L24 T26 D50 M63 Q64 M65 | L6-Y52 HydrophobicContact CD1-CE1 3.82Å; L6-Y52 HydrophobicContact CD2-CD1 4.4Å; L6-Y52 HydrophobicContact CD2-CD2 4.21Å; L6-Y52 HydrophobicContact CD2-CE1 3.97Å; L6-Y52 HydrophobicContact CD2-CE2 3.8Å; Y23-Y52 WeakPolarHBondContact CA-O 3.24Å; L24-Y52 PolarHBondContact N-O 2.91Å; L24-Y52 PolarHBondContact O-N 3.4Å; T26-Y52 HydrophobicContact CG2-CD2 4.23Å; T26-Y52 HydrophobicContact CG2-CE2 4.07Å; T26-Y52 WeakPolarHBondContact OG1-CE2 3.43Å; D50-Y52 HydrophobicContact CB-CD2 4.39Å; D50-Y52 HydrophobicContact CB-CE2 3.56Å; D50-Y52 PolarHBondContact OD2-OH 3.43Å; Y52-M63 HydrophobicContact CD1-CB 3.8Å; Y52-M63 HydrophobicContact CG-CB 4.27Å; Y52-Q64 VanDerWaalsContact CA-O 3.29Å; Y52-Q64 WeakPolarHBondContact CA-O 3.34Å; Y52-M65 HydrophobicContact CD1-CB 3.92Å; Y52-M65 HydrophobicContact CD1-CG 4.47Å; Y52-M65 HydrophobicContact CE1-CB 3.71Å; Y52-M65 HydrophobicContact CE1-CG 4.14Å |
| 53 | E | 85.8 | Confident | 74.4 | Confident | 40 Ų | 40 | 62.4 Ų | 62.4 | 19% | 0.187 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 136.4 | 171.9 | -171.7 | 165.8 | 160.4 | 0 | 0 | 110.9 | R21 Y23 Q64 N66 | R21-E53 VanDerWaalsContact CD-OE1 3.25Å; R21-E53 WeakPolarHBondContact CD-OE1 3.44Å; R21-E53 IonicContact CZ-OE1 3.27Å; R21-E53 VanDerWaalsContact CZ-OE1 3.24Å; R21-E53 IonicContact NE-OE1 2.94Å; R21-E53 PolarHBondContact NE-OE1 3.28Å; R21-E53 VanDerWaalsContact NH1-CD 3.28Å; R21-E53 IonicContact NH1-OE1 2.69Å; R21-E53 PolarHBondContact NH1-OE1 2.8Å; R21-E53 IonicContact NH1-OE2 2.74Å; R21-E53 PolarHBondContact NH1-OE2 3.46Å; R21-E53 VanDerWaalsContact NH1-OE2 3.1Å; Y23-E53 HydrophobicContact CD1-CB 4Å; Y23-E53 HydrophobicContact CD1-CG 4.08Å; Y23-E53 HydrophobicContact CE1-CB 4.05Å; Y23-E53 HydrophobicContact CE1-CG 3.84Å; E53-Q64 PolarHBondContact N-O 2.67Å; E53-Q64 VanDerWaalsContact N-O 3.1Å; E53-N66 PolarHBondContact OE2-ND2 3.1Å |
| 54 | F | 84.2 | Confident | 76.3 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 4% | 0.044 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 99.3 | -177.8 | -178.1 | -112.1 | 0 | 0 | 0 | 111.5 | K4 W14 T22 V56 I456 L462 L474 | K4-F54 HydrophobicContact CD-CD2 4.26Å; K4-F54 HydrophobicContact CD-CE2 4.17Å; K4-F54 HydrophobicContact CG-CE2 4.37Å; W14-F54 HydrophobicContact CH2-CG 4.38Å; W14-F54 HydrophobicContact CZ3-CB 4.1Å; W14-F54 HydrophobicContact CZ3-CD1 4.35Å; W14-F54 HydrophobicContact CZ3-CG 4.24Å; T22-F54 HydrophobicContact CG2-CD1 4.34Å; T22-F54 WeakPolarHBondContact O-CB 3.41Å; T22-F54 PolarHBondContact O-N 3.04Å; F54-V56 HydrophobicContact CD1-CG2 4.44Å; F54-V56 HydrophobicContact CE1-CG2 3.55Å; F54-V56 HydrophobicContact CZ-CG2 3.64Å; F54-I456 HydrophobicContact CD1-CG2 4.47Å; F54-I456 HydrophobicContact CE1-CD1 4.36Å; F54-I456 HydrophobicContact CE1-CG2 4.43Å; F54-I456 HydrophobicContact CZ-CD1 4.49Å; F54-L462 HydrophobicContact CE1-CD1 3.85Å; F54-L462 HydrophobicContact CZ-CD1 3.75Å; F54-L474 HydrophobicContact CD2-CD1 3.77Å; F54-L474 HydrophobicContact CE2-CD1 3.25Å; F54-L474 HydrophobicContact CZ-CD1 3.69Å |
| 55 | D | 78 | Confident | 77.9 | Confident | 56 Ų | 56 | 54.3 Ų | 54.3 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | trans | -103.7 | 138.1 | 158.7 | -161.9 | -15.5 | 0 | 0 | 0 | 109.9 | K57 E58 | D55-K57 VanDerWaalsContact C-N 3.32Å; D55-K57 WeakPolarHBondContact OD1-CB 3.48Å; D55-K57 WeakPolarHBondContact OD1-CG 3.27Å; D55-K57 PolarHBondContact OD1-N 3.33Å; D55-K57 IonicContact OD1-NZ 2.67Å; D55-K57 PolarHBondContact OD1-NZ 3.49Å; D55-K57 IonicContact OD2-NZ 3.54Å; D55-K57 PolarHBondContact OD2-NZ 2.99Å; D55-E58 HydrophobicContact CB-CG 4.4Å | ||
| 56 | V | 73.8 | Confident | 78.7 | Confident | 69 Ų | 69 | 49.2 Ų | 49.2 | 42% | 0.418 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -81.6 | -15 | 176.9 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | F54 L462 | F54-V56 HydrophobicContact CD1-CG2 4.44Å; F54-V56 HydrophobicContact CE1-CG2 3.55Å; F54-V56 HydrophobicContact CZ-CG2 3.64Å; V56-L462 HydrophobicContact CG2-CD1 4.3Å |
| 57 | K | 71 | Confident | 79.1 | Confident | 174 Ų | 174 | 46.6 Ų | 46.6 | 76% | 0.757 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -77.4 | -21.9 | -178.7 | -63.6 | -174.7 | -139.9 | 87 | 0 | 114.3 | D55 | D55-K57 VanDerWaalsContact C-N 3.32Å; D55-K57 WeakPolarHBondContact OD1-CB 3.48Å; D55-K57 WeakPolarHBondContact OD1-CG 3.27Å; D55-K57 PolarHBondContact OD1-N 3.33Å; D55-K57 IonicContact OD1-NZ 2.67Å; D55-K57 PolarHBondContact OD1-NZ 3.49Å; D55-K57 IonicContact OD2-NZ 3.54Å; D55-K57 PolarHBondContact OD2-NZ 2.99Å |
| 58 | E | 68.8 | Low | 79.1 | Confident | 76 Ų | 76 | 45.9 Ų | 45.9 | 36% | 0.355 | 25% | 0.247 | S | C | . | . | trans | -74.3 | 133.8 | 178.6 | -54.8 | -175.8 | 148.2 | 0 | 0 | 110.2 | K4 D55 N60 | K4-E58 IonicContact NZ-OE2 3.52Å; K4-E58 PolarHBondContact NZ-OE2 2.85Å; D55-E58 HydrophobicContact CB-CG 4.4Å; E58-N60 VanDerWaalsContact C-N 3.25Å; E58-N60 WeakPolarHBondContact CB-OD1 3.5Å; E58-N60 PolarHBondContact O-N 3.37Å; E58-N60 PolarHBondContact OE2-ND2 3.1Å; E58-N60 PolarHBondContact OE2-OD1 3.06Å; E58-N60 VanDerWaalsContact OE2-OD1 3.13Å | ||
| 59 | S | 60.7 | Low | 79 | Confident | 134 Ų | 134 | 44.8 Ų | 44.8 | 94% | 0.937 | 24% | 0.24 | S | C | * | . | trans | -84.6 | 7.3 | 179.6 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 60 | N | 70.7 | Confident | 78.8 | Confident | 55 Ų | 55 | 47 Ų | 47 | 29% | 0.294 | 25% | 0.25 | S | S | . | . | trans | -84.2 | 139.3 | 177.3 | 55.9 | -0.2 | 0 | 0 | 0 | 110.8 | K4 E58 S62 | K4-N60 VanDerWaalsContact CE-O 3.3Å; K4-N60 WeakPolarHBondContact CE-O 3.49Å; K4-N60 WeakPolarHBondContact CE-OD1 3.49Å; K4-N60 PolarHBondContact NZ-OD1 3.26Å; E58-N60 VanDerWaalsContact C-N 3.25Å; E58-N60 WeakPolarHBondContact CB-OD1 3.5Å; E58-N60 PolarHBondContact O-N 3.37Å; E58-N60 PolarHBondContact OE2-ND2 3.1Å; E58-N60 PolarHBondContact OE2-OD1 3.06Å; E58-N60 VanDerWaalsContact OE2-OD1 3.13Å; N60-S62 VanDerWaalsContact C-N 3.28Å; N60-S62 VanDerWaalsContact CG-O 3.32Å; N60-S62 PolarHBondContact ND2-O 3.12Å; N60-S62 PolarHBondContact OD1-O 2.89Å | ||
| 61 | M | 68.5 | Low | 78.6 | Confident | 80 Ų | 80 | 46.8 Ų | 46.8 | 39% | 0.394 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -71.1 | -27.6 | 171.1 | -67 | -69.8 | -73.7 | 0 | 0 | 111.3 | K2 K4 E5 | K2-M61 HydrophobicContact CB-CE 4Å; K4-M61 CarbonylContact C-O 3.59Å; K4-M61 WeakPolarHBondContact CA-O 3.43Å; K4-M61 WeakPolarHBondContact CB-O 3.46Å; E5-M61 HydrophobicContact CG-CB 4.38Å; E5-M61 HydrophobicContact CG-CE 4.17Å; E5-M61 PolarHBondContact N-O 3.19Å; E5-M61 WeakPolarHBondContact OE1-CE 3.28Å |
| 62 | S | 73 | Confident | 78.2 | Confident | 70 Ų | 70 | 52.7 Ų | 52.7 | 49% | 0.49 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -75.6 | 150 | 176.7 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | K4 N60 | K4-S62 PolarHBondContact NZ-O 3.27Å; N60-S62 VanDerWaalsContact C-N 3.28Å; N60-S62 VanDerWaalsContact CG-O 3.32Å; N60-S62 PolarHBondContact ND2-O 3.12Å; N60-S62 PolarHBondContact OD1-O 2.89Å |
| 63 | M | 75.6 | Confident | 78 | Confident | 13 Ų | 13 | 54.4 Ų | 54.4 | 6% | 0.064 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 141.8 | 166.8 | -56.5 | -169.4 | -158.8 | 0 | 0 | 111 | K4 L24 Y52 L474 | K4-M63 HydrophobicContact CB-CE 4Å; K4-M63 HydrophobicContact CB-CG 4.2Å; K4-M63 HydrophobicContact CD-CG 3.79Å; L24-M63 HydrophobicContact CD2-CE 3.95Å; L24-M63 HydrophobicContact CD2-SD 3.69Å; Y52-M63 HydrophobicContact CD1-CB 3.8Å; Y52-M63 HydrophobicContact CG-CB 4.27Å; M63-L474 HydrophobicContact CE-CD1 3.55Å; M63-L474 HydrophobicContact CE-CD2 4.02Å; M63-L474 HydrophobicContact CE-CG 3.63Å |
| 64 | Q | 73.5 | Confident | 78 | Confident | 78 Ų | 78 | 54.8 Ų | 54.8 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 128.1 | 171.9 | -177.4 | 174.1 | -37 | 0 | 0 | 110.1 | Y52 E53 S159 | Y52-Q64 VanDerWaalsContact CA-O 3.29Å; Y52-Q64 WeakPolarHBondContact CA-O 3.34Å; E53-Q64 PolarHBondContact N-O 2.67Å; E53-Q64 VanDerWaalsContact N-O 3.1Å; Q64-S159 PolarHBondContact NE2-OG 2.97Å; Q64-S159 VanDerWaalsContact NE2-OG 3.15Å |
| 65 | M | 78.8 | Confident | 78.3 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 13% | 0.128 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 122.4 | 171.6 | -172.1 | 177 | 71.1 | 0 | 0 | 110 | D50 Y52 S160 Y162 | D50-M65 HydrophobicContact CB-CG 4.32Å; D50-M65 HydrophobicContact CB-SD 3.95Å; Y52-M65 HydrophobicContact CD1-CB 3.92Å; Y52-M65 HydrophobicContact CD1-CG 4.47Å; Y52-M65 HydrophobicContact CE1-CB 3.71Å; Y52-M65 HydrophobicContact CE1-CG 4.14Å; M65-S160 VanDerWaalsContact O-CB 3.32Å; M65-S160 WeakPolarHBondContact O-CB 3.4Å; M65-S160 PolarHBondContact O-OG 2.95Å; M65-Y162 HydrophobicContact CE-CE1 3.84Å; M65-Y162 HydrophobicContact CE-CE2 4.47Å |
| 66 | N | 79.3 | Confident | 78.7 | Confident | 16 Ų | 16 | 52.3 Ų | 52.3 | 9% | 0.086 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -41.6 | 178.3 | -75.9 | 9 | 0 | 0 | 0 | 111.7 | I51 E53 I161 | I51-N66 PolarHBondContact O-N 3.48Å; E53-N66 PolarHBondContact OE2-ND2 3.1Å; N66-I161 PolarHBondContact O-N 3.08Å; N66-I161 VanDerWaalsContact O-N 3.15Å |
| 67 | V | 83.7 | Confident | 79.5 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 140.6 | -175.4 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | D50 I51 L111 I161 I163 | D50-V67 CarbonylContact C-O 3.54Å; D50-V67 VanDerWaalsContact CA-O 3.31Å; D50-V67 WeakPolarHBondContact CA-O 3.45Å; I51-V67 PolarHBondContact N-O 3.38Å; I51-V67 PolarHBondContact O-N 2.91Å; V67-L111 HydrophobicContact CG1-CD2 4.44Å; V67-I161 CarbonylContact C-O 3.25Å; V67-I161 WeakPolarHBondContact CA-O 3.18Å; V67-I163 HydrophobicContact CG1-CD1 3.63Å; V67-I163 HydrophobicContact CG1-CG1 4.42Å |
| 68 | S | 86.3 | Confident | 80.5 | Confident | 8 Ų | 8 | 42 Ų | 42 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 125.9 | 168.2 | -176.8 | 0 | 0 | 0 | 0 | 109.3 | D50 I161 Y162 I163 | D50-S68 WeakPolarHBondContact OD1-CA 3.37Å; D50-S68 WeakPolarHBondContact OD1-CB 3.34Å; D50-S68 PolarHBondContact OD1-OG 2.85Å; S68-I161 PolarHBondContact N-O 3.24Å; S68-Y162 CarbonylContact O-C 3.56Å; S68-Y162 WeakPolarHBondContact O-CA 3.47Å; S68-I163 PolarHBondContact O-N 3.04Å |
| 69 | L | 87 | Confident | 81.6 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 123.3 | -179.8 | 178.4 | 73.8 | 0 | 0 | 0 | 109.5 | T48 L49 I71 Y106 L111 I163 T168 Y171 | T48-L69 CarbonylContact C-O 3.57Å; T48-L69 VanDerWaalsContact CA-O 3.25Å; T48-L69 WeakPolarHBondContact CA-O 3.22Å; L49-L69 HydrophobicContact CB-CB 4.4Å; L49-L69 HydrophobicContact CD2-CD2 4.25Å; L49-L69 PolarHBondContact N-O 3.39Å; L49-L69 WeakPolarHBondContact O-CB 3.26Å; L49-L69 PolarHBondContact O-N 3.22Å; L69-I71 HydrophobicContact CD2-CG2 4.21Å; L69-I71 HydrophobicContact CG-CG2 4.37Å; L69-I71 PolarHBondContact O-N 3Å; L69-Y106 HydrophobicContact CD2-CD1 3.75Å; L69-Y106 HydrophobicContact CD2-CE1 3.64Å; L69-Y106 HydrophobicContact CD2-CG 4.47Å; L69-L111 HydrophobicContact CD2-CD2 4.15Å; L69-I163 HydrophobicContact CD1-CB 3.69Å; L69-I163 HydrophobicContact CD1-CD1 4.2Å; L69-I163 HydrophobicContact CD1-CG2 3.5Å; L69-I163 VanDerWaalsContact CD1-CG2 3.5Å; L69-T168 HydrophobicContact CD1-CG2 3.89Å; L69-T168 HydrophobicContact CG-CG2 4.49Å; L69-Y171 HydrophobicContact CD1-CD2 4.35Å |
| 70 | Q | 85.5 | Confident | 83.1 | Confident | 50 Ų | 50 | 33.7 Ų | 33.7 | 23% | 0.234 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 124.5 | 170.8 | -168.4 | 174.9 | -9.2 | 0 | 0 | 109.5 | I163 E165 T168 | Q70-I163 PolarHBondContact N-O 2.92Å; Q70-E165 HydrophobicContact CB-CG 4.31Å; Q70-E165 HydrophobicContact CG-CG 3.82Å; Q70-E165 VanDerWaalsContact NE2-CD 3.29Å; Q70-E165 PolarHBondContact NE2-OE1 3.1Å; Q70-T168 WeakPolarHBondContact O-CG2 3.23Å |
| 71 | I | 86.6 | Confident | 84 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | trans | -109 | 162.7 | -178.6 | 57.2 | 174.5 | 0 | 0 | 0 | 110.9 | P47 L49 L69 E73 I96 Y106 | P47-I71 HydrophobicContact CB-CD1 4.33Å; P47-I71 HydrophobicContact CB-CG1 3.9Å; P47-I71 HydrophobicContact CG-CG1 4.2Å; P47-I71 WeakPolarHBondContact O-CG1 3.5Å; P47-I71 PolarHBondContact O-N 3.23Å; L49-I71 HydrophobicContact CB-CG2 3.77Å; L69-I71 HydrophobicContact CD2-CG2 4.21Å; L69-I71 HydrophobicContact CG-CG2 4.37Å; L69-I71 PolarHBondContact O-N 3Å; I71-E73 VanDerWaalsContact CD1-O 3.23Å; I71-E73 WeakPolarHBondContact CD1-O 3.32Å; I71-E73 WeakPolarHBondContact CG1-O 3.48Å; I71-I96 HydrophobicContact CD1-CD1 3.91Å; I71-I96 HydrophobicContact CG2-CD1 4.49Å; I71-Y106 HydrophobicContact CG2-CE2 4.46Å | ||
| 72 | K | 82.7 | Confident | 84.7 | Confident | 127 Ų | 127 | 29.1 Ų | 29.1 | 55% | 0.552 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -69 | -37.7 | -176.7 | -73 | -175 | 174.8 | -173.7 | 0 | 114.3 | Y104 E177 | K72-Y104 HydrophobicContact CD-CE1 3.83Å; K72-Y104 WeakPolarHBondContact CD-OH 3.5Å; K72-E177 IonicContact NZ-OE1 2.66Å; K72-E177 PolarHBondContact NZ-OE1 3.11Å; K72-E177 IonicContact NZ-OE2 3.19Å |
| 73 | E | 84.5 | Confident | 85.2 | Confident | 53 Ų | 53 | 26.7 Ų | 26.7 | 25% | 0.248 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -138.9 | 156 | -167.6 | -72.6 | 170.3 | -110 | 0 | 0 | 109.6 | I71 S98 S100 Y104 | I71-E73 VanDerWaalsContact CD1-O 3.23Å; I71-E73 WeakPolarHBondContact CD1-O 3.32Å; I71-E73 WeakPolarHBondContact CG1-O 3.48Å; E73-S98 WeakPolarHBondContact OE2-CB 3.46Å; E73-S100 PolarHBondContact OE1-OG 3.48Å; E73-S100 VanDerWaalsContact OE2-CB 3.23Å; E73-S100 WeakPolarHBondContact OE2-CB 3.48Å; E73-S100 PolarHBondContact OE2-OG 2.82Å; E73-Y104 WeakPolarHBondContact OE1-CE2 3.43Å; E73-Y104 PolarHBondContact OE1-OH 3.39Å |
| 74 | K | 86.4 | Confident | 85.5 | Confident | 49 Ų | 49 | 26.1 Ų | 26.1 | 21% | 0.213 | 13% | 0.13 | C | C | . | . | trans | -67.5 | 149.9 | 169.6 | -58.4 | -177.3 | -177.1 | -173.8 | 0 | 109.5 | E30 E34 P47 | E30-K74 HydrophobicContact CB-CB 3.99Å; E30-K74 HydrophobicContact CB-CD 4.04Å; E30-K74 HydrophobicContact CG-CB 4.47Å; E30-K74 HydrophobicContact CG-CD 3.91Å; E30-K74 WeakPolarHBondContact OE2-CB 3.36Å; E34-K74 IonicContact OE1-NZ 2.79Å; E34-K74 IonicContact OE2-NZ 2.69Å; E34-K74 PolarHBondContact OE2-NZ 3.25Å; P47-K74 HydrophobicContact CB-CG 4.13Å | ||
| 75 | A | 89 | Confident | 85.3 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -92.8 | 128.2 | -175 | 0 | 0 | 0 | 0 | 0 | 112.1 | H11 A27 T28 A29 I96 G97 | H11-A75 PolarHBondContact CE1-O 3.39Å; H11-A75 PolarHBondContact ND1-O 3.37Å; A27-A75 HydrophobicContact CB-CB 3.51Å; T28-A75 PolarHBondContact O-N 3.04Å; A29-A75 WeakPolarHBondContact CA-O 3.27Å; A75-I96 HydrophobicContact CB-CG2 3.74Å; A75-G97 WeakPolarHBondContact CA-O 3.45Å |
| 76 | T | 87.9 | Confident | 84.5 | Confident | 14 Ų | 14 | 33.7 Ų | 33.7 | 9% | 0.086 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -100.9 | -9.6 | 176 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | H11 G97 S98 M99 V183 V184 | H11-T76 PolarHBondContact CE1-O 2.93Å; T76-G97 PolarHBondContact N-O 3.25Å; T76-G97 VanDerWaalsContact OG1-C 3.26Å; T76-G97 PolarHBondContact OG1-O 2.95Å; T76-S98 VanDerWaalsContact OG1-C 3.29Å; T76-S98 WeakPolarHBondContact OG1-CA 3.33Å; T76-S98 PolarHBondContact OG1-N 3.43Å; T76-S98 PolarHBondContact OG1-O 2.98Å; T76-M99 HydrophobicContact CG2-CB 4.41Å; T76-M99 HydrophobicContact CG2-CG 3.59Å; T76-M99 HydrophobicContact CG2-SD 3.59Å; T76-M99 VanDerWaalsContact CG2-SD 3.59Å; T76-V183 HydrophobicContact CG2-CG1 3.79Å; T76-V184 WeakPolarHBondContact CB-O 3.41Å; T76-V184 PolarHBondContact OG1-O 2.91Å |
| 77 | S | 89.1 | Confident | 83.7 | Confident | 8 Ų | 8 | 36 Ų | 36 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 150.9 | 165.7 | 43.2 | 0 | 0 | 0 | 0 | 109.6 | I96 G97 V184 | S77-I96 WeakPolarHBondContact O-CA 3.31Å; S77-G97 PolarHBondContact O-N 3.36Å; S77-V184 PolarHBondContact OG-O 3.26Å |
| 78 | L | 92.4 | Very high | 82.8 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 10% | 0.099 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 134.1 | 177.2 | -179.5 | 68.3 | 0 | 0 | 0 | 109.9 | H11 A13 A25 A27 L49 L94 I95 I96 | H11-L78 HydrophobicContact CB-CB 3.8Å; H11-L78 VanDerWaalsContact O-CD2 3.23Å; H11-L78 WeakPolarHBondContact O-CD2 2.99Å; A13-L78 HydrophobicContact CB-CD2 3.8Å; A13-L78 HydrophobicContact CB-CG 3.8Å; A25-L78 HydrophobicContact CB-CD2 4.24Å; A27-L78 HydrophobicContact CB-CB 4.49Å; A27-L78 HydrophobicContact CB-CD1 4.12Å; A27-L78 HydrophobicContact CB-CD2 4.01Å; A27-L78 HydrophobicContact CB-CG 4.44Å; L49-L78 HydrophobicContact CD1-CD1 4.42Å; L78-L94 HydrophobicContact CD1-CD2 4.15Å; L78-I95 WeakPolarHBondContact CA-O 3.3Å; L78-I96 HydrophobicContact CD1-CD1 4.29Å; L78-I96 HydrophobicContact CD1-CG1 3.52Å |
| 79 | L | 92.4 | Very high | 82.4 | Confident | 20 Ų | 20 | 43.3 Ų | 43.3 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 134.3 | 177.7 | -173.9 | 69.9 | 0 | 0 | 0 | 110.8 | L94 I95 L187 F189 | L79-L94 CarbonylContact O-C 3.55Å; L79-L94 WeakPolarHBondContact O-CA 3.35Å; L79-I95 HydrophobicContact CB-CB 4.43Å; L79-I95 PolarHBondContact N-O 3.5Å; L79-I95 PolarHBondContact O-N 3.28Å; L79-L187 HydrophobicContact CB-CB 4Å; L79-L187 HydrophobicContact CD2-CB 4.08Å; L79-F189 HydrophobicContact CD1-CD1 4.17Å; L79-F189 HydrophobicContact CD2-CB 4.13Å; L79-F189 HydrophobicContact CD2-CD1 4.37Å; L79-F189 HydrophobicContact CG-CD1 4.41Å |
| 80 | W | 92.4 | Very high | 81.8 | Confident | 14 Ų | 14 | 47.7 Ų | 47.7 | 5% | 0.053 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 120.3 | 168.4 | -158.8 | -31.7 | 0 | 0 | 0 | 108.6 | A13 A25 L91 L93 L94 S108 I112 | A13-W80 HydrophobicContact CB-CB 4.13Å; A25-W80 HydrophobicContact CB-CE3 3.89Å; A25-W80 HydrophobicContact CB-CZ3 3.83Å; W80-L91 PolarHBondContact NE1-O 3.3Å; W80-L93 WeakPolarHBondContact CA-O 3.48Å; W80-L94 HydrophobicContact CB-CD2 3.87Å; W80-L94 HydrophobicContact CD2-CD2 3.73Å; W80-L94 HydrophobicContact CD2-CG 4.03Å; W80-L94 HydrophobicContact CE3-CD2 3.77Å; W80-L94 HydrophobicContact CE3-CG 4.36Å; W80-L94 HydrophobicContact CG-CD2 3.8Å; W80-L94 HydrophobicContact CG-CG 4.17Å; W80-S108 PolarHBondContact NE1-OG 3.41Å; W80-I112 HydrophobicContact CH2-CD1 4.16Å; W80-I112 HydrophobicContact CZ2-CD1 4.13Å |
| 81 | T | 89.6 | Confident | 81.6 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -80.6 | 156.2 | -178.9 | 71.4 | 0 | 0 | 0 | 0 | 112.6 | L93 I95 F189 | T81-L93 PolarHBondContact N-O 2.99Å; T81-L93 PolarHBondContact OG1-N 2.88Å; T81-I95 HydrophobicContact CG2-CD1 3.76Å; T81-I95 HydrophobicContact CG2-CG1 4.2Å; T81-F189 HydrophobicContact CG2-CB 4.43Å |
| 82 | S | 84 | Confident | 81.5 | Confident | 37 Ų | 37 | 46.6 Ų | 46.6 | 26% | 0.259 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -67.1 | 156.3 | 165.7 | -168.5 | 0 | 0 | 0 | 0 | 110.9 | F189 | S82-F189 VanDerWaalsContact CB-CE2 3.47Š|
| 83 | P | 83.1 | Confident | 81.9 | Confident | 19 Ų | 19 | 40.5 Ų | 40.5 | 12% | 0.123 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -54.9 | 144.4 | -176.7 | -27.9 | 36.4 | 0 | 0 | 0 | 114.4 | S18 L89 D90 T194 | S18-P83 WeakPolarHBondContact OG-CG 3.41Å; P83-L89 WeakPolarHBondContact CA-O 3.26Å; P83-D90 WeakPolarHBondContact CB-O 3.2Å; P83-D90 WeakPolarHBondContact CG-O 3.44Å; P83-T194 WeakPolarHBondContact O-CB 3.35Å; P83-T194 PolarHBondContact O-OG1 3.09Å |
| 84 | I | 81.7 | Confident | 82.3 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -115.6 | 91.9 | -175.8 | -50 | 178.9 | 0 | 0 | 0 | 108.6 | N86 D87 L89 L93 N195 V211 | I84-N86 PolarHBondContact O-N 3.02Å; I84-D87 PolarHBondContact O-N 3.31Å; I84-L89 HydrophobicContact CB-CB 4.19Å; I84-L89 HydrophobicContact CB-CD1 4.36Å; I84-L89 HydrophobicContact CD1-CD1 4.3Å; I84-L89 PolarHBondContact N-O 3.46Å; I84-L89 VanDerWaalsContact N-O 3.09Å; I84-L93 HydrophobicContact CD1-CD1 4.3Å; I84-N195 HydrophobicContact CG2-CB 4.17Å; I84-V211 HydrophobicContact CD1-CB 4.23Å; I84-V211 HydrophobicContact CD1-CG1 3.99Å; I84-V211 HydrophobicContact CD1-CG2 4.05Å |
| 85 | N | 68.7 | Low | 82.7 | Confident | 138 Ų | 138 | 35.7 Ų | 35.7 | 74% | 0.738 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -17.5 | -173.5 | -64 | 2.2 | 0 | 0 | 0 | 115.2 | ||
| 86 | N | 62.6 | Low | 82.8 | Confident | 124 Ų | 124 | 35.8 Ų | 35.8 | 66% | 0.663 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -31.6 | -176 | -66.1 | -8.6 | 0 | 0 | 0 | 112.9 | I84 | I84-N86 PolarHBondContact O-N 3.02Š|
| 87 | D | 61.7 | Low | 83 | Confident | 66 Ų | 66 | 35.1 Ų | 35.1 | 35% | 0.353 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | 17.6 | -164.5 | -56.1 | -57.9 | 0 | 0 | 0 | 112.8 | I84 L89 | I84-D87 PolarHBondContact O-N 3.31Å; D87-L89 VanDerWaalsContact C-N 3.27Å; D87-L89 HydrophobicContact CB-CD1 4.01Å; D87-L89 HydrophobicContact CB-CG 4.21Å; D87-L89 PolarHBondContact O-N 2.79Å |
| 88 | H | 66.4 | Low | 83.1 | Confident | 158 Ų | 158 | 34.8 Ų | 34.8 | 73% | 0.731 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 30 | -174.6 | -61.4 | -74.1 | 0 | 0 | 0 | 114.9 | D90 Q109 | H88-D90 PolarHBondContact O-N 2.69Å; H88-Q109 PolarHBondContact O-OE1 3.34Å |
| 89 | L | 77.6 | Confident | 82.8 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -93.2 | 70.9 | 179.1 | -65.1 | 168.2 | 0 | 0 | 0 | 110.7 | P83 I84 D87 L91 G92 L93 Y173 | P83-L89 WeakPolarHBondContact CA-O 3.26Å; I84-L89 HydrophobicContact CB-CB 4.19Å; I84-L89 HydrophobicContact CB-CD1 4.36Å; I84-L89 HydrophobicContact CD1-CD1 4.3Å; I84-L89 PolarHBondContact N-O 3.46Å; I84-L89 VanDerWaalsContact N-O 3.09Å; D87-L89 VanDerWaalsContact C-N 3.27Å; D87-L89 HydrophobicContact CB-CD1 4.01Å; D87-L89 HydrophobicContact CB-CG 4.21Å; D87-L89 PolarHBondContact O-N 2.79Å; L89-L91 PolarHBondContact O-N 2.68Å; L89-G92 PolarHBondContact O-N 3.42Å; L89-G92 VanDerWaalsContact O-N 3.11Å; L89-L93 HydrophobicContact CD1-CD1 4.04Å; L89-L93 HydrophobicContact CD1-CD2 3.81Å; L89-L93 HydrophobicContact CD1-CG 3.91Å; L89-L93 HydrophobicContact CD2-CD2 3.8Å; L89-L93 HydrophobicContact CG-CD2 4.4Å; L89-Y173 HydrophobicContact CD1-CE2 4.01Å; L89-Y173 HydrophobicContact CD2-CD2 4.46Å; L89-Y173 HydrophobicContact CD2-CE2 4.47Å |
| 90 | D | 73.9 | Confident | 82.5 | Confident | 92 Ų | 92 | 37.5 Ų | 37.5 | 49% | 0.492 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -19.8 | -171.7 | -62.6 | -34.7 | 0 | 0 | 0 | 113.7 | P83 H88 Q109 | P83-D90 WeakPolarHBondContact CB-O 3.2Å; P83-D90 WeakPolarHBondContact CG-O 3.44Å; H88-D90 PolarHBondContact O-N 2.69Å; D90-Q109 VanDerWaalsContact N-OE1 3.08Å |
| 91 | L | 80.4 | Confident | 82.3 | Confident | 31 Ų | 31 | 36.8 Ų | 36.8 | 16% | 0.162 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 10.2 | 176.3 | -63.8 | 175.5 | 0 | 0 | 0 | 113.4 | C19 W80 L89 Q109 I112 | C19-L91 HydrophobicContact CB-CD2 4.08Å; W80-L91 PolarHBondContact NE1-O 3.3Å; L89-L91 PolarHBondContact O-N 2.68Å; L91-Q109 HydrophobicContact CB-CB 4.35Å; L91-Q109 HydrophobicContact CD1-CB 4.24Å; L91-Q109 HydrophobicContact CD1-CG 4.27Å; L91-I112 HydrophobicContact CD1-CD1 4.1Å |
| 92 | G | 86 | Confident | 82.4 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | 69.1 | -164.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | L89 | L89-G92 PolarHBondContact O-N 3.42Å; L89-G92 VanDerWaalsContact O-N 3.11Å | ||
| 93 | L | 90.9 | Very high | 82.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 149.8 | 179.5 | -63.4 | 176.3 | 0 | 0 | 0 | 110.9 | W80 T81 I84 L89 L105 Y106 Y173 V211 | W80-L93 WeakPolarHBondContact CA-O 3.48Å; T81-L93 PolarHBondContact N-O 2.99Å; T81-L93 PolarHBondContact OG1-N 2.88Å; I84-L93 HydrophobicContact CD1-CD1 4.3Å; L89-L93 HydrophobicContact CD1-CD1 4.04Å; L89-L93 HydrophobicContact CD1-CD2 3.81Å; L89-L93 HydrophobicContact CD1-CG 3.91Å; L89-L93 HydrophobicContact CD2-CD2 3.8Å; L89-L93 HydrophobicContact CG-CD2 4.4Å; L93-L105 HydrophobicContact CD1-CD2 4.09Å; L93-Y106 WeakPolarHBondContact CA-O 3.34Å; L93-Y106 WeakPolarHBondContact CD2-O 3.46Å; L93-Y173 HydrophobicContact CD1-CD1 3.89Å; L93-Y173 HydrophobicContact CD1-CE1 4.18Å; L93-Y173 HydrophobicContact CD1-CG 4.27Å; L93-Y173 HydrophobicContact CD2-CD1 4.42Å; L93-Y173 HydrophobicContact CD2-CD2 4.21Å; L93-Y173 HydrophobicContact CD2-CG 3.96Å; L93-V211 HydrophobicContact CD1-CG1 3.77Å; L93-V211 HydrophobicContact CD1-CG2 4.44Å |
| 94 | L | 92.8 | Very high | 83.2 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 119 | 166.5 | -81.3 | 161.2 | 0 | 0 | 0 | 109.1 | A25 L49 I51 L78 L79 W80 L105 Y106 S108 L111 | A25-L94 HydrophobicContact CB-CD1 4.04Å; A25-L94 HydrophobicContact CB-CD2 3.59Å; A25-L94 HydrophobicContact CB-CG 4.5Å; L49-L94 HydrophobicContact CD2-CD1 4.46Å; I51-L94 HydrophobicContact CD1-CD1 4.1Å; L78-L94 HydrophobicContact CD1-CD2 4.15Å; L79-L94 CarbonylContact O-C 3.55Å; L79-L94 WeakPolarHBondContact O-CA 3.35Å; W80-L94 HydrophobicContact CB-CD2 3.87Å; W80-L94 HydrophobicContact CD2-CD2 3.73Å; W80-L94 HydrophobicContact CD2-CG 4.03Å; W80-L94 HydrophobicContact CE3-CD2 3.77Å; W80-L94 HydrophobicContact CE3-CG 4.36Å; W80-L94 HydrophobicContact CG-CD2 3.8Å; W80-L94 HydrophobicContact CG-CG 4.17Å; L94-L105 CarbonylContact O-C 3.57Å; L94-L105 WeakPolarHBondContact O-CA 3.5Å; L94-Y106 PolarHBondContact N-O 3.5Å; L94-Y106 PolarHBondContact O-N 3.13Å; L94-S108 WeakPolarHBondContact CG-OG 3.5Å; L94-S108 PolarHBondContact N-OG 2.95Å; L94-L111 HydrophobicContact CD1-CD1 4.42Å |
| 95 | I | 93.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.7 | -177.6 | -46.9 | -171.3 | 0 | 0 | 0 | 109 | L78 L79 T81 Y104 L105 L187 F197 | L78-I95 WeakPolarHBondContact CA-O 3.3Å; L79-I95 HydrophobicContact CB-CB 4.43Å; L79-I95 PolarHBondContact N-O 3.5Å; L79-I95 PolarHBondContact O-N 3.28Å; T81-I95 HydrophobicContact CG2-CD1 3.76Å; T81-I95 HydrophobicContact CG2-CG1 4.2Å; I95-Y104 WeakPolarHBondContact CA-O 3.43Å; I95-L105 HydrophobicContact CD1-CD2 4.1Å; I95-L105 HydrophobicContact CD1-CG 4.26Å; I95-L105 HydrophobicContact CG1-CD2 4.33Å; I95-L105 HydrophobicContact CG1-CG 4.02Å; I95-L105 HydrophobicContact CG2-CD1 4.33Å; I95-L105 HydrophobicContact CG2-CG 4.12Å; I95-L187 HydrophobicContact CB-CD1 4.49Å; I95-L187 HydrophobicContact CG2-CD1 3.97Å; I95-F197 HydrophobicContact CD1-CD1 3.67Å; I95-F197 HydrophobicContact CD1-CD2 4.03Å; I95-F197 HydrophobicContact CD1-CE1 3.67Å; I95-F197 HydrophobicContact CD1-CE2 4.04Å; I95-F197 HydrophobicContact CD1-CG 3.86Å; I95-F197 HydrophobicContact CD1-CZ 3.86Å; I95-F197 HydrophobicContact CG2-CE2 4.28Å; I95-F197 HydrophobicContact CG2-CZ 4.43Å |
| 96 | I | 93.1 | Very high | 84.8 | Confident | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.9 | 174 | -72.9 | 174.3 | 0 | 0 | 0 | 109.4 | A27 L49 I71 A75 S77 L78 L103 Y104 Y106 | A27-I96 HydrophobicContact CB-CD1 3.83Å; A27-I96 HydrophobicContact CB-CG1 4.2Å; L49-I96 HydrophobicContact CB-CD1 4.34Å; L49-I96 HydrophobicContact CD1-CD1 4.44Å; L49-I96 HydrophobicContact CD2-CD1 4.19Å; I71-I96 HydrophobicContact CD1-CD1 3.91Å; I71-I96 HydrophobicContact CG2-CD1 4.49Å; A75-I96 HydrophobicContact CB-CG2 3.74Å; S77-I96 WeakPolarHBondContact O-CA 3.31Å; L78-I96 HydrophobicContact CD1-CD1 4.29Å; L78-I96 HydrophobicContact CD1-CG1 3.52Å; I96-L103 WeakPolarHBondContact O-CA 3.34Å; I96-Y104 PolarHBondContact N-O 3.11Å; I96-Y104 PolarHBondContact O-N 3.46Å; I96-Y106 HydrophobicContact CD1-CE2 4.09Å |
| 97 | G | 91.1 | Very high | 86 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 154.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A75 T76 S77 | A75-G97 WeakPolarHBondContact CA-O 3.45Å; T76-G97 PolarHBondContact N-O 3.25Å; T76-G97 VanDerWaalsContact OG1-C 3.26Å; T76-G97 PolarHBondContact OG1-O 2.95Å; S77-G97 PolarHBondContact O-N 3.36Å |
| 98 | S | 90.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -137.8 | 167.2 | -173.8 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | E73 T76 S100 G101 S102 V184 | E73-S98 WeakPolarHBondContact OE2-CB 3.46Å; T76-S98 VanDerWaalsContact OG1-C 3.29Å; T76-S98 WeakPolarHBondContact OG1-CA 3.33Å; T76-S98 PolarHBondContact OG1-N 3.43Å; T76-S98 PolarHBondContact OG1-O 2.98Å; S98-S100 VanDerWaalsContact C-N 3.28Å; S98-S100 PolarHBondContact O-N 3.17Å; S98-S100 PolarHBondContact OG-OG 2.75Å; S98-S100 VanDerWaalsContact OG-OG 3.1Å; S98-G101 PolarHBondContact O-N 2.94Å; S98-S102 PolarHBondContact N-O 3.48Å; S98-S102 WeakPolarHBondContact OG-CA 3.3Å; S98-S102 WeakPolarHBondContact OG-CB 3.3Å; S98-S102 PolarHBondContact OG-N 3.43Å; S98-S102 VanDerWaalsContact OG-N 3.11Å; S98-S102 PolarHBondContact OG-O 3.32Å; S98-V184 PolarHBondContact O-N 3.45Å | ||
| 99 | M | 86.2 | Confident | 88.1 | Confident | 58 Ų | 58 | 15.3 Ų | 15.3 | 29% | 0.286 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -33.9 | 174.9 | -68 | -69.1 | -99.1 | 0 | 0 | 113.1 | E30 T76 G101 V183 | E30-M99 VanDerWaalsContact CD-CG 3.41Å; E30-M99 HydrophobicContact CG-CE 4.36Å; E30-M99 HydrophobicContact CG-CG 4.35Å; E30-M99 VanDerWaalsContact OE2-CG 3.24Å; E30-M99 WeakPolarHBondContact OE2-CG 3.31Å; T76-M99 HydrophobicContact CG2-CB 4.41Å; T76-M99 HydrophobicContact CG2-CG 3.59Å; T76-M99 HydrophobicContact CG2-SD 3.59Å; T76-M99 VanDerWaalsContact CG2-SD 3.59Å; M99-G101 PolarHBondContact O-N 2.81Å; M99-V183 HydrophobicContact CB-CG2 4.43Å; M99-V183 HydrophobicContact CE-CG2 4.4Å; M99-V183 HydrophobicContact SD-CB 4.3Å; M99-V183 HydrophobicContact SD-CG1 3.78Å; M99-V183 HydrophobicContact SD-CG2 3.52Å; M99-V183 VanDerWaalsContact SD-CG2 3.52Å |
| 100 | S | 86.9 | Confident | 88.4 | Confident | 38 Ų | 38 | 19.7 Ų | 19.7 | 27% | 0.266 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -5.2 | -178.3 | 62.1 | 0 | 0 | 0 | 0 | 114.4 | E73 S98 S102 N178 | E73-S100 PolarHBondContact OE1-OG 3.48Å; E73-S100 VanDerWaalsContact OE2-CB 3.23Å; E73-S100 WeakPolarHBondContact OE2-CB 3.48Å; E73-S100 PolarHBondContact OE2-OG 2.82Å; S98-S100 VanDerWaalsContact C-N 3.28Å; S98-S100 PolarHBondContact O-N 3.17Å; S98-S100 PolarHBondContact OG-OG 2.75Å; S98-S100 VanDerWaalsContact OG-OG 3.1Å; S100-S102 VanDerWaalsContact C-N 3.25Å; S100-S102 VanDerWaalsContact OG-CB 3.25Å; S100-S102 WeakPolarHBondContact OG-CB 3.43Å; S100-S102 PolarHBondContact OG-N 3.34Å; S100-S102 PolarHBondContact OG-OG 3.01Å; S100-N178 PolarHBondContact O-OD1 3.24Å |
| 101 | G | 87.2 | Confident | 88.9 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | S | Bend | trans | 78.5 | 10.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S98 M99 I179 H180 N182 | S98-G101 PolarHBondContact O-N 2.94Å; M99-G101 PolarHBondContact O-N 2.81Å; G101-I179 PolarHBondContact O-N 2.79Å; G101-H180 PolarHBondContact O-N 2.69Å; G101-H180 VanDerWaalsContact O-N 3.11Å; G101-N182 WeakPolarHBondContact CA-O 3.46Å |
| 102 | S | 92.3 | Very high | 89 | Confident | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.007 | 7% | 0.071 | C | C | . | . | trans | -84.8 | 145.3 | 176.3 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | S98 S100 C176 E177 N178 | S98-S102 PolarHBondContact N-O 3.48Å; S98-S102 WeakPolarHBondContact OG-CA 3.3Å; S98-S102 WeakPolarHBondContact OG-CB 3.3Å; S98-S102 PolarHBondContact OG-N 3.43Å; S98-S102 VanDerWaalsContact OG-N 3.11Å; S98-S102 PolarHBondContact OG-O 3.32Å; S100-S102 VanDerWaalsContact C-N 3.25Å; S100-S102 VanDerWaalsContact OG-CB 3.25Å; S100-S102 WeakPolarHBondContact OG-CB 3.43Å; S100-S102 PolarHBondContact OG-N 3.34Å; S100-S102 PolarHBondContact OG-OG 3.01Å; S102-C176 CarbonylContact C-O 3.6Å; S102-C176 WeakPolarHBondContact CA-O 3.47Å; S102-E177 WeakPolarHBondContact OG-CA 3.17Å; S102-N178 PolarHBondContact OG-N 3.49Å | ||
| 103 | L | 92.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 131.7 | 171.2 | -61.4 | 175.7 | 0 | 0 | 0 | 110.3 | I96 L105 C176 V184 L187 F197 W209 | I96-L103 WeakPolarHBondContact O-CA 3.34Å; L103-L105 HydrophobicContact CB-CD1 4.3Å; L103-C176 HydrophobicContact CB-CB 3.99Å; L103-C176 PolarHBondContact N-O 3.01Å; L103-C176 PolarHBondContact O-N 3.38Å; L103-V184 HydrophobicContact CD2-CB 4.47Å; L103-V184 HydrophobicContact CD2-CG1 4.03Å; L103-V184 HydrophobicContact CD2-CG2 4Å; L103-L187 HydrophobicContact CD2-CD2 3.97Å; L103-F197 HydrophobicContact CD1-CE2 4.18Å; L103-F197 HydrophobicContact CD1-CZ 4.36Å; L103-W209 HydrophobicContact CD1-CD2 4.35Å; L103-W209 HydrophobicContact CD1-CH2 4.41Å; L103-W209 HydrophobicContact CD1-CZ2 3.68Å |
| 104 | Y | 92.1 | Very high | 87.9 | Confident | 9 Ų | 9 | 17.3 Ų | 17.3 | 4% | 0.035 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 115.7 | 178.4 | -63.7 | -76.5 | 0 | 0 | 0 | 110.3 | K72 E73 I95 I96 L172 E177 | K72-Y104 HydrophobicContact CD-CE1 3.83Å; K72-Y104 WeakPolarHBondContact CD-OH 3.5Å; E73-Y104 WeakPolarHBondContact OE1-CE2 3.43Å; E73-Y104 PolarHBondContact OE1-OH 3.39Å; I95-Y104 WeakPolarHBondContact CA-O 3.43Å; I96-Y104 PolarHBondContact N-O 3.11Å; I96-Y104 PolarHBondContact O-N 3.46Å; Y104-L172 HydrophobicContact CD1-CD1 4.41Å; Y104-E177 HydrophobicContact CE1-CG 4.12Å |
| 105 | L | 92.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123.1 | -178.6 | -67.1 | 78.4 | 0 | 0 | 0 | 109.7 | L93 L94 I95 L103 L172 Y173 K174 F197 M214 | L93-L105 HydrophobicContact CD1-CD2 4.09Å; L94-L105 CarbonylContact O-C 3.57Å; L94-L105 WeakPolarHBondContact O-CA 3.5Å; I95-L105 HydrophobicContact CD1-CD2 4.1Å; I95-L105 HydrophobicContact CD1-CG 4.26Å; I95-L105 HydrophobicContact CG1-CD2 4.33Å; I95-L105 HydrophobicContact CG1-CG 4.02Å; I95-L105 HydrophobicContact CG2-CD1 4.33Å; I95-L105 HydrophobicContact CG2-CG 4.12Å; L103-L105 HydrophobicContact CB-CD1 4.3Å; L105-L172 WeakPolarHBondContact O-CD1 2.96Å; L105-Y173 WeakPolarHBondContact O-CA 3.46Å; L105-Y173 WeakPolarHBondContact O-CB 3.35Å; L105-Y173 PolarHBondContact O-N 3.12Å; L105-K174 WeakPolarHBondContact CB-O 3.49Å; L105-K174 PolarHBondContact N-O 3.05Å; L105-K174 PolarHBondContact O-N 3.29Å; L105-F197 HydrophobicContact CD2-CE1 4.11Å; L105-F197 HydrophobicContact CD2-CZ 4.38Å; L105-M214 HydrophobicContact CD1-CE 3.7Å; L105-M214 HydrophobicContact CD2-CE 3.73Å; L105-M214 HydrophobicContact CD2-SD 4.4Å; L105-M214 HydrophobicContact CG-CE 4.41Å |
| 106 | Y | 90.7 | Very high | 84.9 | Confident | 7 Ų | 7 | 23.6 Ų | 23.6 | 3% | 0.027 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 145.8 | -179.6 | -61.9 | -87.2 | 0 | 0 | 0 | 112 | L49 L69 I71 L93 L94 I96 S108 Y171 L172 | L49-Y106 HydrophobicContact CD2-CD2 4.06Å; L49-Y106 HydrophobicContact CD2-CE2 4.49Å; L49-Y106 HydrophobicContact CD2-CG 4.32Å; L69-Y106 HydrophobicContact CD2-CD1 3.75Å; L69-Y106 HydrophobicContact CD2-CE1 3.64Å; L69-Y106 HydrophobicContact CD2-CG 4.47Å; I71-Y106 HydrophobicContact CG2-CE2 4.46Å; L93-Y106 WeakPolarHBondContact CA-O 3.34Å; L93-Y106 WeakPolarHBondContact CD2-O 3.46Å; L94-Y106 PolarHBondContact N-O 3.5Å; L94-Y106 PolarHBondContact O-N 3.13Å; I96-Y106 HydrophobicContact CD1-CE2 4.09Å; Y106-S108 PolarHBondContact O-N 3.24Å; Y106-Y171 WeakPolarHBondContact CA-O 3.38Å; Y106-L172 HydrophobicContact CD1-CB 4.35Å; Y106-L172 HydrophobicContact CD1-CD1 4.13Å; Y106-L172 HydrophobicContact CE1-CB 4.29Å; Y106-L172 HydrophobicContact CE1-CD1 3.78Å; Y106-L172 HydrophobicContact CE2-CD1 4.5Å |
| 107 | D | 88.3 | Confident | 83 | Confident | 11 Ų | 11 | 28.7 Ų | 28.7 | 6% | 0.059 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 104.6 | 177.6 | -176.6 | -35.8 | 0 | 0 | 0 | 110.8 | Q109 K110 L111 Y171 | D107-Q109 PolarHBondContact O-N 3.02Å; D107-Q109 WeakPolarHBondContact OD1-CA 3.29Å; D107-Q109 WeakPolarHBondContact OD1-CB 3.31Å; D107-Q109 PolarHBondContact OD1-N 3.49Å; D107-K110 HydrophobicContact CB-CB 4.1Å; D107-K110 HydrophobicContact CB-CD 4.2Å; D107-K110 HydrophobicContact CB-CG 4.15Å; D107-K110 PolarHBondContact O-N 3.1Å; D107-K110 PolarHBondContact OD1-N 3.47Å; D107-K110 WeakPolarHBondContact OD2-CG 3.25Å; D107-K110 IonicContact OD2-NZ 2.77Å; D107-K110 PolarHBondContact OD2-NZ 3.32Å; D107-L111 WeakPolarHBondContact O-CG 3.29Å; D107-L111 PolarHBondContact O-N 2.87Å; D107-Y171 PolarHBondContact N-O 3.49Å |
| 108 | S | 88.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.7 | -26.9 | -178.9 | -55.8 | 0 | 0 | 0 | 0 | 113.2 | W80 L94 Y106 I112 | W80-S108 PolarHBondContact NE1-OG 3.41Å; L94-S108 WeakPolarHBondContact CG-OG 3.5Å; L94-S108 PolarHBondContact N-OG 2.95Å; Y106-S108 PolarHBondContact O-N 3.24Å; S108-I112 WeakPolarHBondContact O-CB 3.44Å; S108-I112 VanDerWaalsContact O-CG1 3.32Å; S108-I112 WeakPolarHBondContact O-CG1 3.37Å; S108-I112 PolarHBondContact O-N 2.92Å |
| 109 | Q | 84 | Confident | 78.4 | Confident | 65 Ų | 65 | 42 Ų | 42 | 30% | 0.304 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -80.1 | -38.1 | -179 | -170.3 | 165.5 | -6.3 | 0 | 0 | 111.5 | H88 D90 L91 D107 S113 | H88-Q109 PolarHBondContact O-OE1 3.34Å; D90-Q109 VanDerWaalsContact N-OE1 3.08Å; L91-Q109 HydrophobicContact CB-CB 4.35Å; L91-Q109 HydrophobicContact CD1-CB 4.24Å; L91-Q109 HydrophobicContact CD1-CG 4.27Å; D107-Q109 PolarHBondContact O-N 3.02Å; D107-Q109 WeakPolarHBondContact OD1-CA 3.29Å; D107-Q109 WeakPolarHBondContact OD1-CB 3.31Å; D107-Q109 PolarHBondContact OD1-N 3.49Å; Q109-S113 VanDerWaalsContact O-CB 3.25Å; Q109-S113 WeakPolarHBondContact O-CB 3.37Å; Q109-S113 PolarHBondContact O-N 3.24Å; Q109-S113 PolarHBondContact O-OG 3.14Å |
| 110 | K | 83.3 | Confident | 75.8 | Confident | 97 Ų | 97 | 44 Ų | 44 | 42% | 0.422 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 168.5 | -69.8 | -173.1 | -172 | 89.6 | 0 | 112 | D107 S113 A114 N170 Y171 | D107-K110 HydrophobicContact CB-CB 4.1Å; D107-K110 HydrophobicContact CB-CD 4.2Å; D107-K110 HydrophobicContact CB-CG 4.15Å; D107-K110 PolarHBondContact O-N 3.1Å; D107-K110 PolarHBondContact OD1-N 3.47Å; D107-K110 WeakPolarHBondContact OD2-CG 3.25Å; D107-K110 IonicContact OD2-NZ 2.77Å; D107-K110 PolarHBondContact OD2-NZ 3.32Å; K110-S113 PolarHBondContact O-OG 2.92Å; K110-A114 PolarHBondContact O-N 3.41Å; K110-N170 VanDerWaalsContact CD-O 3.23Å; K110-N170 WeakPolarHBondContact CD-O 3.48Å; K110-Y171 HydrophobicContact CB-CD1 4.04Å |
| 111 | L | 84 | Confident | 73 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.1 | -52 | 176.6 | -73.6 | 168.3 | 0 | 0 | 0 | 111.8 | L49 I51 V67 L69 L94 D107 S113 A114 I163 Y171 | L49-L111 HydrophobicContact CD2-CD1 4.45Å; I51-L111 HydrophobicContact CD1-CB 3.92Å; I51-L111 HydrophobicContact CD1-CD1 4.21Å; V67-L111 HydrophobicContact CG1-CD2 4.44Å; L69-L111 HydrophobicContact CD2-CD2 4.15Å; L94-L111 HydrophobicContact CD1-CD1 4.42Å; D107-L111 WeakPolarHBondContact O-CG 3.29Å; D107-L111 PolarHBondContact O-N 2.87Å; L111-S113 PolarHBondContact O-N 2.75Å; L111-A114 WeakPolarHBondContact O-CB 3.43Å; L111-A114 PolarHBondContact O-N 2.99Å; L111-I163 HydrophobicContact CD2-CD1 4.17Å; L111-Y171 HydrophobicContact CD2-CD1 3.61Å; L111-Y171 HydrophobicContact CD2-CE1 4.37Å; L111-Y171 HydrophobicContact CD2-CG 3.76Å; L111-Y171 HydrophobicContact CG-CD1 4.03Å; L111-Y171 HydrophobicContact CG-CG 4.39Å |
| 112 | I | 82.9 | Confident | 70.3 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 5% | 0.046 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.9 | -34.6 | -177.9 | -68.3 | 165.3 | 0 | 0 | 0 | 112.2 | Y23 I51 W80 L91 S108 A114 S115 | Y23-I112 HydrophobicContact CD2-CD1 4Å; Y23-I112 HydrophobicContact CE2-CD1 4.02Å; Y23-I112 HydrophobicContact CG-CD1 4.41Å; I51-I112 HydrophobicContact CD1-CG1 4.4Å; W80-I112 HydrophobicContact CH2-CD1 4.16Å; W80-I112 HydrophobicContact CZ2-CD1 4.13Å; L91-I112 HydrophobicContact CD1-CD1 4.1Å; S108-I112 WeakPolarHBondContact O-CB 3.44Å; S108-I112 VanDerWaalsContact O-CG1 3.32Å; S108-I112 WeakPolarHBondContact O-CG1 3.37Å; S108-I112 PolarHBondContact O-N 2.92Å; I112-A114 PolarHBondContact O-N 3.43Å; I112-S115 PolarHBondContact O-N 3.41Å; I112-S115 PolarHBondContact O-OG 2.91Å |
| 113 | S | 79.5 | Confident | 67.2 | Low | 47 Ų | 47 | 58.1 Ų | 58.1 | 33% | 0.329 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.9 | -20.5 | 177.6 | 57.3 | 0 | 0 | 0 | 0 | 113.8 | Q109 K110 L111 S115 Q116 N117 | Q109-S113 VanDerWaalsContact O-CB 3.25Å; Q109-S113 WeakPolarHBondContact O-CB 3.37Å; Q109-S113 PolarHBondContact O-N 3.24Å; Q109-S113 PolarHBondContact O-OG 3.14Å; K110-S113 PolarHBondContact O-OG 2.92Å; L111-S113 PolarHBondContact O-N 2.75Å; S113-S115 VanDerWaalsContact C-N 3.34Å; S113-S115 PolarHBondContact O-N 3.23Å; S113-Q116 PolarHBondContact O-N 3.42Å; S113-N117 PolarHBondContact O-N 3.43Å; S113-N117 PolarHBondContact O-ND2 3.44Å; S113-N117 VanDerWaalsContact O-ND2 3.15Å |
| 114 | A | 73.4 | Confident | 64.2 | Low | 16 Ų | 16 | 64 Ų | 64 | 13% | 0.132 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K110 L111 I112 Q116 I161 Y171 | K110-A114 PolarHBondContact O-N 3.41Å; L111-A114 WeakPolarHBondContact O-CB 3.43Å; L111-A114 PolarHBondContact O-N 2.99Å; I112-A114 PolarHBondContact O-N 3.43Å; A114-Q116 PolarHBondContact O-N 3Å; A114-I161 WeakPolarHBondContact O-CD1 3.25Å; A114-Y171 HydrophobicContact CB-CE1 4.22Å |
| 115 | S | 64.7 | Low | 61.3 | Low | 21 Ų | 21 | 70.2 Ų | 70.2 | 15% | 0.147 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68 | -34.8 | 179.7 | 68.9 | 0 | 0 | 0 | 0 | 112.8 | I112 S113 | I112-S115 PolarHBondContact O-N 3.41Å; I112-S115 PolarHBondContact O-OG 2.91Å; S113-S115 VanDerWaalsContact C-N 3.34Å; S113-S115 PolarHBondContact O-N 3.23Å |
| 116 | Q | 59.5 | Low | 58.2 | Low | 110 Ų | 110 | 74.4 Ų | 74.4 | 51% | 0.514 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -73.3 | -34.5 | -176 | -60.7 | -175.5 | 3.6 | 0 | 0 | 112.5 | S113 A114 H118 L119 | S113-Q116 PolarHBondContact O-N 3.42Å; A114-Q116 PolarHBondContact O-N 3Å; Q116-H118 VanDerWaalsContact C-N 3.28Å; Q116-H118 PolarHBondContact O-N 3.25Å; Q116-L119 PolarHBondContact O-N 3.13Å |
| 117 | N | 52.6 | Low | 55.2 | Low | 110 Ų | 110 | 80.8 Ų | 80.8 | 59% | 0.588 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -71.9 | -15.9 | -176.2 | -72.5 | -35.4 | 0 | 0 | 0 | 114.5 | S113 S120 S121 | S113-N117 PolarHBondContact O-N 3.43Å; S113-N117 PolarHBondContact O-ND2 3.44Å; S113-N117 VanDerWaalsContact O-ND2 3.15Å; N117-S120 PolarHBondContact O-OG 2.9Å; N117-S121 PolarHBondContact O-OG 3.41Å; N117-S121 VanDerWaalsContact O-OG 3.1Å |
| 118 | H | 44.8 | Very low | 52.5 | Low | 118 Ų | 118 | 87.6 Ų | 87.6 | 55% | 0.546 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -86.3 | -21.7 | 179 | -114.7 | -58.2 | 0 | 0 | 0 | 114.2 | Q116 S120 S121 I161 | Q116-H118 VanDerWaalsContact C-N 3.28Å; Q116-H118 PolarHBondContact O-N 3.25Å; H118-S120 PolarHBondContact O-N 3.3Å; H118-S121 WeakPolarHBondContact CA-OG 3.46Å; H118-S121 PolarHBondContact O-N 2.9Å; H118-S121 PolarHBondContact O-OG 3.31Å; H118-I161 HydrophobicContact CB-CD1 4.29Å |
| 119 | L | 40.1 | Very low | 49.5 | Very low | 162 Ų | 162 | 95.7 Ų | 95.7 | 85% | 0.848 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -13.2 | 178.1 | -81 | 150 | 0 | 0 | 0 | 113.8 | Q116 | Q116-L119 PolarHBondContact O-N 3.13Š|
| 120 | S | 32.8 | Very low | 46.8 | Very low | 101 Ų | 101 | 100.8 Ų | 100.8 | 71% | 0.706 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 1 | 178.5 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | N117 H118 | N117-S120 PolarHBondContact O-OG 2.9Å; H118-S120 PolarHBondContact O-N 3.3Å |
| 121 | S | 28 | Very low | 43.9 | Very low | 39 Ų | 39 | 100.1 Ų | 100.1 | 27% | 0.273 | 56% | 0.556 | S | S | . | * | trans | -127.7 | 60.6 | -167.4 | 49.7 | 0 | 0 | 0 | 0 | 114.3 | N117 H118 Q123 | N117-S121 PolarHBondContact O-OG 3.41Å; N117-S121 VanDerWaalsContact O-OG 3.1Å; H118-S121 WeakPolarHBondContact CA-OG 3.46Å; H118-S121 PolarHBondContact O-N 2.9Å; H118-S121 PolarHBondContact O-OG 3.31Å; S121-Q123 PolarHBondContact O-N 3.05Å | ||
| 122 | S | 28.7 | Very low | 41.1 | Very low | 117 Ų | 117 | 111.6 Ų | 111.6 | 82% | 0.818 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 26.7 | 174 | 55.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 123 | Q | 27.5 | Very low | 38.4 | Very low | 179 Ų | 179 | 118.7 Ų | 118.7 | 84% | 0.836 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135 | 29.1 | -174.5 | -70.1 | -162.2 | -20.4 | 0 | 0 | 114.9 | S121 | S121-Q123 PolarHBondContact O-N 3.05Š|
| 124 | I | 30.9 | Very low | 35.8 | Very low | 123 Ų | 123 | 123 Ų | 123 | 63% | 0.631 | 65% | 0.652 | S | S | * | * | trans | -123.6 | 56.9 | 168.9 | -42.1 | -177.5 | 0 | 0 | 0 | 111.1 | ||||
| 125 | T | 29.5 | Very low | 33.6 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 86% | 0.859 | 68% | 0.683 | S | S | * | * | trans | -118.7 | 31.2 | 172.5 | 47.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 126 | S | 29.5 | Very low | 31.7 | Very low | 88 Ų | 88 | 134 Ų | 134 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -148.7 | 137.1 | 163.6 | 67.2 | 0 | 0 | 0 | 0 | 110 | ||
| 127 | N | 27.1 | Very low | 30.1 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 63.7 | 118.1 | -157.6 | -37.7 | -73.6 | 0 | 0 | 0 | 110.6 | ||
| 128 | I | 30.8 | Very low | 28.8 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | cis | -123.5 | 86.4 | 29.5 | -55.6 | 169.4 | 0 | 0 | 0 | 111.1 | K130 | I128-K130 VanDerWaalsContact C-N 3.29Å; I128-K130 HydrophobicContact CG2-CB 4.06Å; I128-K130 PolarHBondContact O-N 3.12Å | ||
| 129 | N | 25.5 | Very low | 28.1 | Very low | 171 Ų | 171 | 138.6 Ų | 138.6 | 91% | 0.914 | 74% | 0.74 | S | S | * | * | trans | -87.5 | 75.4 | 155.8 | -101.9 | -14.4 | 0 | 0 | 0 | 108.5 | ||||
| 130 | K | 27.1 | Very low | 27.5 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | -139.5 | 82.2 | 172.5 | -84.2 | -167.6 | 174.7 | 179.5 | 0 | 111.6 | I128 | I128-K130 VanDerWaalsContact C-N 3.29Å; I128-K130 HydrophobicContact CG2-CB 4.06Å; I128-K130 PolarHBondContact O-N 3.12Å | ||
| 131 | S | 23.2 | Very low | 27.2 | Very low | 83 Ų | 83 | 137.8 Ų | 137.8 | 58% | 0.58 | 73% | 0.733 | S | S | * | * | trans | 31.4 | 106.7 | 130.5 | 61.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 132 | Y | 26 | Very low | 27.2 | Very low | 244 Ų | 244 | 141.3 Ų | 141.3 | 96% | 0.957 | 75% | 0.753 | S | S | * | * | -111.6 | 120.5 | 118.2 | -84.5 | -81.1 | 0 | 0 | 0 | 108.5 | |||||
| 133 | H | 26 | Very low | 27.3 | Very low | 158 Ų | 158 | 141 Ų | 141 | 73% | 0.731 | 75% | 0.746 | S | S | * | * | trans | -98.9 | 167.8 | -179.7 | -110.3 | -74.9 | 0 | 0 | 0 | 109 | ||||
| 134 | I | 24.4 | Very low | 27.4 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 70% | 0.697 | 74% | 0.742 | S | S | * | * | trans | 74.4 | 128.5 | 161.9 | -61.9 | 146 | 0 | 0 | 0 | 112 | ||||
| 135 | N | 26.7 | Very low | 27.4 | Very low | 150 Ų | 150 | 137.8 Ų | 137.8 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | cis | -131.7 | 157.7 | 45.5 | -71.4 | -92.2 | 0 | 0 | 0 | 115.5 | ||||
| 136 | N | 25.8 | Very low | 27.4 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | trans | -82.3 | 150.8 | 164.7 | -59.2 | 11.5 | 0 | 0 | 0 | 111.4 | D138 | N136-D138 WeakPolarHBondContact CB-OD1 3.29Å; N136-D138 PolarHBondContact ND2-OD1 3.24Å | ||
| 137 | M | 25.4 | Very low | 27.5 | Very low | 190 Ų | 190 | 140.5 Ų | 140.5 | 94% | 0.936 | 74% | 0.741 | S | S | * | * | -137.4 | 120 | 115.4 | -76.9 | -169.7 | 172 | 0 | 0 | 105.8 | |||||
| 138 | D | 24.9 | Very low | 27.5 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 59% | 0.588 | 74% | 0.744 | S | S | * | * | 78.7 | 67.7 | 51.3 | -63.5 | -13.5 | 0 | 0 | 0 | 114.3 | N136 | N136-D138 WeakPolarHBondContact CB-OD1 3.29Å; N136-D138 PolarHBondContact ND2-OD1 3.24Å | |||
| 139 | T | 30.3 | Very low | 27.3 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | trans | -151.7 | 71.6 | 142.1 | 32.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 140 | T | 27.1 | Very low | 27.4 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 62% | 0.62 | 71% | 0.712 | S | S | * | * | 58.2 | 115.7 | 94.2 | 66.6 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 141 | N | 25.8 | Very low | 27.4 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 78% | 0.781 | 72% | 0.715 | S | S | * | * | trans | 71.8 | 142.3 | 151.4 | -52.7 | -13.2 | 0 | 0 | 0 | 116.8 | ||||
| 142 | T | 29.3 | Very low | 27.5 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 69% | 0.693 | 72% | 0.718 | S | S | * | * | cis | -168 | 160.3 | -7.4 | 17.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 143 | T | 29.8 | Very low | 27.4 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 68% | 0.675 | 71% | 0.709 | S | S | * | * | trans | 52.6 | 124 | 150.6 | 54.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 144 | D | 30.7 | Very low | 27.5 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | cis | -157.4 | 155.9 | 16.5 | -89.2 | -38.4 | 0 | 0 | 0 | 114 | ||||
| 145 | S | 30 | Very low | 27.7 | Very low | 93 Ų | 93 | 128 Ų | 128 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | trans | 47.5 | 125.6 | 145.6 | 71.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 146 | N | 30.1 | Very low | 27.8 | Very low | 149 Ų | 149 | 130 Ų | 130 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | trans | 103.4 | 153.8 | 144.9 | -53.4 | -28.8 | 0 | 0 | 0 | 118.9 | ||||
| 147 | E | 30.4 | Very low | 28.1 | Very low | 137 Ų | 137 | 133 Ų | 133 | 64% | 0.64 | 73% | 0.726 | S | S | * | * | trans | 72.4 | 27.1 | 174.3 | -58.1 | -170.7 | 158.3 | 0 | 0 | 118.3 | I1291 | E147-I1291 HydrophobicContact CB-CG1 4.28Å; E147-I1291 HydrophobicContact CB-CG2 3.8Å; E147-I1291 HydrophobicContact CG-CG2 3.93Å | ||
| 148 | N | 28 | Very low | 28.5 | Very low | 155 Ų | 155 | 130.3 Ų | 130.3 | 83% | 0.829 | 72% | 0.715 | S | S | * | * | trans | -84.7 | 114.3 | 141.9 | -77.5 | -44 | 0 | 0 | 0 | 109.6 | ||||
| 149 | D | 27.5 | Very low | 29.7 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 48% | 0.476 | 71% | 0.712 | S | S | . | * | S | Bend | trans | -158 | 19.1 | 139.3 | -155.9 | 33.2 | 0 | 0 | 0 | 114.8 | Y1292 P1294 | D149-Y1292 VanDerWaalsContact C-CB 3.48Å; D149-Y1292 WeakPolarHBondContact O-CD1 3.48Å; D149-Y1292 WeakPolarHBondContact O-CE1 3.41Å; D149-P1294 WeakPolarHBondContact OD2-CB 3.31Å |
| 150 | Y | 26.4 | Very low | 31.1 | Very low | 139 Ų | 139 | 123.7 Ų | 123.7 | 55% | 0.545 | 68% | 0.683 | S | S | . | * | trans | -130.9 | 71.1 | -178.1 | -67.7 | -40.1 | 0 | 0 | 0 | 127.7 | Y1292 P1293 | Y150-Y1292 AromaticContact CD1-CD1 2.93Å; Y150-Y1292 HydrophobicContact CD1-CD1 2.93Å; Y150-Y1292 AromaticContact CD1-CE1 3.92Å; Y150-Y1292 HydrophobicContact CD1-CE1 3.92Å; Y150-Y1292 AromaticContact CD1-CG 3.64Å; Y150-Y1292 HydrophobicContact CD1-CG 3.64Å; Y150-Y1292 AromaticContact CD2-CD1 4Å; Y150-Y1292 HydrophobicContact CD2-CD1 4Å; Y150-Y1292 AromaticContact CD2-CG 3.52Å; Y150-Y1292 HydrophobicContact CD2-CG 3.52Å; Y150-Y1292 AromaticContact CE1-CD1 3.83Å; Y150-Y1292 HydrophobicContact CE1-CD1 3.83Å; Y150-Y1292 VanDerWaalsContact CE2-C 3.46Å; Y150-Y1292 HydrophobicContact CE2-CG 4.47Å; Y150-Y1292 WeakPolarHBondContact CE2-O 3.03Å; Y150-Y1292 AromaticContact CG-CD1 2.98Å; Y150-Y1292 HydrophobicContact CG-CD1 2.98Å; Y150-Y1292 AromaticContact CG-CD2 3.98Å; Y150-Y1292 HydrophobicContact CG-CD2 3.98Å; Y150-Y1292 HydrophobicContact CG-CE1 4.13Å; Y150-Y1292 AromaticContact CG-CG 2.93Å; Y150-Y1292 HydrophobicContact CG-CG 2.93Å; Y150-Y1292 PolarHBondContact N-OH 3.47Å; Y150-Y1292 WeakPolarHBondContact O-CE2 3.31Å; Y150-P1293 HydrophobicContact CE1-CG 4.34Å | ||
| 151 | V | 26.6 | Very low | 33 | Very low | 132 Ų | 132 | 120.7 Ų | 120.7 | 80% | 0.8 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -171.4 | 42.2 | 177.6 | -161.6 | 0 | 0 | 0 | 0 | 109.8 | Y1292 | V151-Y1292 HydrophobicContact CB-CE2 4.45Å; V151-Y1292 HydrophobicContact CG2-CE2 3.96Å; V151-Y1292 PolarHBondContact N-OH 3.29Å |
| 152 | T | 25.5 | Very low | 35.2 | Very low | 106 Ų | 106 | 121.2 Ų | 121.2 | 65% | 0.65 | 65% | 0.654 | S | S | * | * | trans | -150.6 | 12.4 | -178.4 | 4.4 | 0 | 0 | 0 | 0 | 117.6 | Y1292 | T152-Y1292 PolarHBondContact OG1-OH 3.1Å; T152-Y1292 VanDerWaalsContact OG1-OH 3.09Å | ||
| 153 | T | 25.5 | Very low | 37.2 | Very low | 126 Ų | 126 | 116.2 Ų | 116.2 | 77% | 0.773 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -129.1 | 55.7 | -173.8 | 55 | 0 | 0 | 0 | 0 | 114.3 | ||
| 154 | S | 27.2 | Very low | 39.1 | Very low | 105 Ų | 105 | 114.5 Ų | 114.5 | 73% | 0.734 | 61% | 0.613 | S | S | * | * | trans | -147 | 10.8 | 170.3 | 56.5 | 0 | 0 | 0 | 0 | 115.3 | Q156 | S154-Q156 PolarHBondContact O-N 3.27Š| ||
| 155 | I | 29.3 | Very low | 40.7 | Very low | 144 Ų | 144 | 112.6 Ų | 112.6 | 74% | 0.738 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 46 | 178.7 | -42.1 | -177.7 | 0 | 0 | 0 | 111.2 | ||
| 156 | Q | 27.8 | Very low | 42.2 | Very low | 190 Ų | 190 | 115.1 Ų | 115.1 | 89% | 0.888 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.2 | 30.4 | 178.7 | -75.5 | -161.1 | -23.1 | 0 | 0 | 113.9 | S154 | S154-Q156 PolarHBondContact O-N 3.27Š|
| 157 | Q | 33.2 | Very low | 43.9 | Very low | 182 Ų | 182 | 111.8 Ų | 111.8 | 85% | 0.85 | 59% | 0.588 | S | S | * | * | trans | -160.9 | 72.2 | 166.3 | -114.6 | 162.6 | -4.2 | 0 | 0 | 111.6 | ||||
| 158 | L | 32.5 | Very low | 45.6 | Very low | 135 Ų | 135 | 107 Ų | 107 | 71% | 0.707 | 57% | 0.568 | S | S | * | * | trans | -122.2 | 88.9 | 172.4 | -72.8 | 173.3 | 0 | 0 | 0 | 110.1 | ||||
| 159 | S | 51.4 | Low | 47.7 | Very low | 76 Ų | 76 | 103.5 Ų | 103.5 | 53% | 0.531 | 56% | 0.556 | S | S | . | * | trans | -96.9 | 16.3 | 175.7 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | Q64 | Q64-S159 PolarHBondContact NE2-OG 2.97Å; Q64-S159 VanDerWaalsContact NE2-OG 3.15Å | ||
| 160 | S | 58.4 | Low | 50.1 | Low | 29 Ų | 29 | 103.9 Ų | 103.9 | 20% | 0.203 | 56% | 0.558 | C | S | . | * | trans | -111.2 | 133.4 | -177.6 | -51.4 | 0 | 0 | 0 | 0 | 110.9 | M65 | M65-S160 VanDerWaalsContact O-CB 3.32Å; M65-S160 WeakPolarHBondContact O-CB 3.4Å; M65-S160 PolarHBondContact O-OG 2.95Å | ||
| 161 | I | 67.2 | Low | 52.7 | Low | 37 Ų | 37 | 99.2 Ų | 99.2 | 19% | 0.19 | 54% | 0.54 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 127.7 | 177.9 | -61 | -171.9 | 0 | 0 | 0 | 110.6 | N66 V67 S68 A114 H118 I163 | N66-I161 PolarHBondContact O-N 3.08Å; N66-I161 VanDerWaalsContact O-N 3.15Å; V67-I161 CarbonylContact C-O 3.25Å; V67-I161 WeakPolarHBondContact CA-O 3.18Å; S68-I161 PolarHBondContact N-O 3.24Å; A114-I161 WeakPolarHBondContact O-CD1 3.25Å; H118-I161 HydrophobicContact CB-CD1 4.29Å; I161-I163 HydrophobicContact CG2-CG1 4.08Å |
| 162 | Y | 71.6 | Confident | 55.4 | Low | 157 Ų | 157 | 95.4 Ų | 95.4 | 62% | 0.616 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 128 | 170.4 | -65.6 | -87.5 | 0 | 0 | 0 | 110.8 | M65 S68 | M65-Y162 HydrophobicContact CE-CE1 3.84Å; M65-Y162 HydrophobicContact CE-CE2 4.47Å; S68-Y162 CarbonylContact O-C 3.56Å; S68-Y162 WeakPolarHBondContact O-CA 3.47Å |
| 163 | I | 73 | Confident | 58.2 | Low | 8 Ų | 8 | 94.1 Ų | 94.1 | 4% | 0.041 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 104.3 | -179.1 | -53.8 | 168.1 | 0 | 0 | 0 | 108.7 | V67 S68 L69 Q70 L111 I161 N167 Y171 | V67-I163 HydrophobicContact CG1-CD1 3.63Å; V67-I163 HydrophobicContact CG1-CG1 4.42Å; S68-I163 PolarHBondContact O-N 3.04Å; L69-I163 HydrophobicContact CD1-CB 3.69Å; L69-I163 HydrophobicContact CD1-CD1 4.2Å; L69-I163 HydrophobicContact CD1-CG2 3.5Å; L69-I163 VanDerWaalsContact CD1-CG2 3.5Å; Q70-I163 PolarHBondContact N-O 2.92Å; L111-I163 HydrophobicContact CD2-CD1 4.17Å; I161-I163 HydrophobicContact CG2-CG1 4.08Å; I163-N167 HydrophobicContact CG2-CB 3.84Å; I163-Y171 HydrophobicContact CD1-CD2 4.33Å; I163-Y171 HydrophobicContact CD1-CE1 4.11Å; I163-Y171 HydrophobicContact CD1-CE2 3.87Å; I163-Y171 HydrophobicContact CG1-CE2 4.46Å; I163-Y171 HydrophobicContact CG2-CD2 4.06Å; I163-Y171 HydrophobicContact CG2-CE2 3.61Å |
| 164 | T | 69.6 | Low | 61.1 | Low | 75 Ų | 75 | 91.5 Ų | 91.5 | 46% | 0.46 | 48% | 0.476 | S | S | . | . | trans | -67.8 | 153.9 | 176.2 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | N166 N167 | T164-N166 PolarHBondContact O-N 3.27Å; T164-N167 PolarHBondContact O-N 3.41Å | ||
| 165 | E | 62.5 | Low | 63.8 | Low | 101 Ų | 101 | 88.4 Ų | 88.4 | 47% | 0.472 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -38.4 | -45.7 | 178.4 | -83 | 170.1 | -162.3 | 0 | 0 | 115.3 | Q70 N167 T168 | Q70-E165 HydrophobicContact CB-CG 4.31Å; Q70-E165 HydrophobicContact CG-CG 3.82Å; Q70-E165 VanDerWaalsContact NE2-CD 3.29Å; Q70-E165 PolarHBondContact NE2-OE1 3.1Å; E165-N167 PolarHBondContact O-N 2.78Å; E165-T168 WeakPolarHBondContact O-CB 3.47Å; E165-T168 VanDerWaalsContact O-CG2 3.32Å; E165-T168 WeakPolarHBondContact O-CG2 3.32Å; E165-T168 PolarHBondContact O-N 2.9Å; E165-T168 PolarHBondContact O-OG1 3.28Å |
| 166 | N | 61.5 | Low | 66.6 | Low | 146 Ų | 146 | 81.8 Ų | 81.8 | 78% | 0.781 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -55.4 | -21.3 | -178.6 | -68.1 | -21.2 | 0 | 0 | 0 | 115.2 | T164 | T164-N166 PolarHBondContact O-N 3.27Š|
| 167 | N | 66.1 | Low | 69.3 | Low | 78 Ų | 78 | 76.9 Ų | 76.9 | 42% | 0.417 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -106.1 | -4 | 179.8 | -75.1 | -18.8 | 0 | 0 | 0 | 113.6 | I163 T164 E165 S169 N170 Y171 | I163-N167 HydrophobicContact CG2-CB 3.84Å; T164-N167 PolarHBondContact O-N 3.41Å; E165-N167 PolarHBondContact O-N 2.78Å; N167-S169 PolarHBondContact O-N 3.17Å; N167-N170 WeakPolarHBondContact O-CB 3.43Å; N167-N170 PolarHBondContact O-N 3.07Å; N167-N170 VanDerWaalsContact O-N 3.09Å; N167-Y171 HydrophobicContact CB-CE2 4.45Å; N167-Y171 VanDerWaalsContact O-CD2 3.31Å; N167-Y171 WeakPolarHBondContact O-CD2 3.23Å; N167-Y171 WeakPolarHBondContact O-CE2 3.35Å |
| 168 | T | 67.3 | Low | 71.7 | Confident | 36 Ų | 36 | 73.6 Ų | 73.6 | 22% | 0.221 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -57.1 | -35 | -174.9 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | L69 Q70 E165 N170 Y171 L172 | L69-T168 HydrophobicContact CD1-CG2 3.89Å; L69-T168 HydrophobicContact CG-CG2 4.49Å; Q70-T168 WeakPolarHBondContact O-CG2 3.23Å; E165-T168 WeakPolarHBondContact O-CB 3.47Å; E165-T168 VanDerWaalsContact O-CG2 3.32Å; E165-T168 WeakPolarHBondContact O-CG2 3.32Å; E165-T168 PolarHBondContact O-N 2.9Å; E165-T168 PolarHBondContact O-OG1 3.28Å; T168-N170 PolarHBondContact O-N 3.04Å; T168-N170 VanDerWaalsContact O-N 3.08Å; T168-Y171 PolarHBondContact O-N 3.28Å; T168-L172 PolarHBondContact O-N 2.65Å |
| 169 | S | 71.7 | Confident | 74.3 | Confident | 82 Ų | 82 | 70.1 Ų | 70.1 | 57% | 0.573 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -58.5 | -20.4 | 178.1 | 57.9 | 0 | 0 | 0 | 0 | 114.5 | N167 Y171 | N167-S169 PolarHBondContact O-N 3.17Å; S169-Y171 VanDerWaalsContact C-N 3.34Å |
| 170 | N | 76.9 | Confident | 76.1 | Confident | 98 Ų | 98 | 66.6 Ų | 66.6 | 52% | 0.524 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -81.6 | -17.7 | 179.2 | -59.6 | -23.2 | 0 | 0 | 0 | 112.6 | K110 N167 T168 | K110-N170 VanDerWaalsContact CD-O 3.23Å; K110-N170 WeakPolarHBondContact CD-O 3.48Å; N167-N170 WeakPolarHBondContact O-CB 3.43Å; N167-N170 PolarHBondContact O-N 3.07Å; N167-N170 VanDerWaalsContact O-N 3.09Å; T168-N170 PolarHBondContact O-N 3.04Å; T168-N170 VanDerWaalsContact O-N 3.08Å |
| 171 | Y | 81.6 | Confident | 77.5 | Confident | 41 Ų | 41 | 71.6 Ų | 71.6 | 16% | 0.161 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | -23.1 | -176.5 | -54.1 | -83.2 | 0 | 0 | 0 | 112.6 | L69 Y106 D107 K110 L111 A114 I163 N167 T168 S169 Y173 | L69-Y171 HydrophobicContact CD1-CD2 4.35Å; Y106-Y171 WeakPolarHBondContact CA-O 3.38Å; D107-Y171 PolarHBondContact N-O 3.49Å; K110-Y171 HydrophobicContact CB-CD1 4.04Å; L111-Y171 HydrophobicContact CD2-CD1 3.61Å; L111-Y171 HydrophobicContact CD2-CE1 4.37Å; L111-Y171 HydrophobicContact CD2-CG 3.76Å; L111-Y171 HydrophobicContact CG-CD1 4.03Å; L111-Y171 HydrophobicContact CG-CG 4.39Å; A114-Y171 HydrophobicContact CB-CE1 4.22Å; I163-Y171 HydrophobicContact CD1-CD2 4.33Å; I163-Y171 HydrophobicContact CD1-CE1 4.11Å; I163-Y171 HydrophobicContact CD1-CE2 3.87Å; I163-Y171 HydrophobicContact CG1-CE2 4.46Å; I163-Y171 HydrophobicContact CG2-CD2 4.06Å; I163-Y171 HydrophobicContact CG2-CE2 3.61Å; N167-Y171 HydrophobicContact CB-CE2 4.45Å; N167-Y171 VanDerWaalsContact O-CD2 3.31Å; N167-Y171 WeakPolarHBondContact O-CD2 3.23Å; N167-Y171 WeakPolarHBondContact O-CE2 3.35Å; T168-Y171 PolarHBondContact O-N 3.28Å; S169-Y171 VanDerWaalsContact C-N 3.34Å; Y171-Y173 PolarHBondContact O-N 3.35Å |
| 172 | L | 84.4 | Confident | 78.5 | Confident | 52 Ų | 52 | 73 Ų | 73 | 27% | 0.272 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 123.7 | 171.3 | -172.7 | 75.2 | 0 | 0 | 0 | 110.2 | Y104 L105 Y106 T168 | Y104-L172 HydrophobicContact CD1-CD1 4.41Å; L105-L172 WeakPolarHBondContact O-CD1 2.96Å; Y106-L172 HydrophobicContact CD1-CB 4.35Å; Y106-L172 HydrophobicContact CD1-CD1 4.13Å; Y106-L172 HydrophobicContact CE1-CB 4.29Å; Y106-L172 HydrophobicContact CE1-CD1 3.78Å; Y106-L172 HydrophobicContact CE2-CD1 4.5Å; T168-L172 PolarHBondContact O-N 2.65Å |
| 173 | Y | 84.5 | Confident | 79.2 | Confident | 79 Ų | 79 | 66 Ų | 66 | 31% | 0.31 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -48.1 | 170.8 | -177.8 | -98.5 | 0 | 0 | 0 | 110.8 | L89 L93 L105 Y171 V211 | L89-Y173 HydrophobicContact CD1-CE2 4.01Å; L89-Y173 HydrophobicContact CD2-CD2 4.46Å; L89-Y173 HydrophobicContact CD2-CE2 4.47Å; L93-Y173 HydrophobicContact CD1-CD1 3.89Å; L93-Y173 HydrophobicContact CD1-CE1 4.18Å; L93-Y173 HydrophobicContact CD1-CG 4.27Å; L93-Y173 HydrophobicContact CD2-CD1 4.42Å; L93-Y173 HydrophobicContact CD2-CD2 4.21Å; L93-Y173 HydrophobicContact CD2-CG 3.96Å; L105-Y173 WeakPolarHBondContact O-CA 3.46Å; L105-Y173 WeakPolarHBondContact O-CB 3.35Å; L105-Y173 PolarHBondContact O-N 3.12Å; Y171-Y173 PolarHBondContact O-N 3.35Å; Y173-V211 HydrophobicContact CE1-CG1 3.78Å |
| 174 | K | 85.2 | Confident | 80.1 | Confident | 70 Ų | 70 | 65.6 Ų | 65.6 | 30% | 0.304 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 140.7 | 172.7 | -171.9 | 158.8 | -178.7 | 166.8 | 0 | 110.9 | L105 M214 | L105-K174 WeakPolarHBondContact CB-O 3.49Å; L105-K174 PolarHBondContact N-O 3.05Å; L105-K174 PolarHBondContact O-N 3.29Å; K174-M214 HydrophobicContact CD-CB 3.9Å; K174-M214 HydrophobicContact CD-CG 4.28Å |
| 175 | S | 85.1 | Confident | 80.9 | Confident | 40 Ų | 40 | 66.2 Ų | 66.2 | 28% | 0.28 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 148.6 | 160.5 | 62.2 | 0 | 0 | 0 | 0 | 111 | E177 | S175-E177 PolarHBondContact OG-OE1 3.38Å |
| 176 | C | 87.7 | Confident | 82.3 | Confident | 6 Ų | 6 | 62.2 Ų | 62.2 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 76.8 | -176.7 | -90.7 | 0 | 0 | 0 | 0 | 106.9 | S102 L103 I179 | S102-C176 CarbonylContact C-O 3.6Å; S102-C176 WeakPolarHBondContact CA-O 3.47Å; L103-C176 HydrophobicContact CB-CB 3.99Å; L103-C176 PolarHBondContact N-O 3.01Å; L103-C176 PolarHBondContact O-N 3.38Å; C176-I179 HydrophobicContact CB-CD1 3.54Å; C176-I179 HydrophobicContact CB-CG1 4.37Å |
| 177 | E | 84.8 | Confident | 83.8 | Confident | 87 Ų | 87 | 56 Ų | 56 | 41% | 0.407 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 132.1 | -166 | -63.3 | 174.2 | -167 | 0 | 0 | 111.7 | K72 S102 Y104 S175 I179 | K72-E177 IonicContact NZ-OE1 2.66Å; K72-E177 PolarHBondContact NZ-OE1 3.11Å; K72-E177 IonicContact NZ-OE2 3.19Å; S102-E177 WeakPolarHBondContact OG-CA 3.17Å; Y104-E177 HydrophobicContact CE1-CG 4.12Å; S175-E177 PolarHBondContact OG-OE1 3.38Å; E177-I179 PolarHBondContact O-N 3.04Å |
| 178 | N | 83.6 | Confident | 85.1 | Confident | 113 Ų | 113 | 53.6 Ų | 53.6 | 60% | 0.604 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 45.3 | 179.7 | -49.9 | -62.1 | 0 | 0 | 0 | 115.3 | S100 S102 H180 | S100-N178 PolarHBondContact O-OD1 3.24Å; S102-N178 PolarHBondContact OG-N 3.49Å; N178-H180 CarbonylContact C-O 3.58Å |
| 179 | I | 85.9 | Confident | 86.2 | Confident | 62 Ų | 62 | 53.6 Ų | 53.6 | 32% | 0.318 | 28% | 0.275 | S | S | . | . | trans | -89.5 | -35 | 178.4 | -49.3 | -176.9 | 0 | 0 | 0 | 111.9 | G101 C176 E177 F207 W209 | G101-I179 PolarHBondContact O-N 2.79Å; C176-I179 HydrophobicContact CB-CD1 3.54Å; C176-I179 HydrophobicContact CB-CG1 4.37Å; E177-I179 PolarHBondContact O-N 3.04Å; I179-F207 HydrophobicContact CG2-CE2 4.26Å; I179-W209 HydrophobicContact CB-CH2 4.22Å; I179-W209 HydrophobicContact CD1-CH2 3.75Å; I179-W209 HydrophobicContact CD1-CZ3 4.17Å; I179-W209 HydrophobicContact CG2-CH2 3.86Å; I179-W209 HydrophobicContact CG2-CZ2 4.48Å | ||
| 180 | H | 89.4 | Confident | 87.1 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.009 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -80.2 | 150.5 | 158.1 | -80.3 | -70.8 | 0 | 0 | 0 | 109.6 | G101 N178 N182 V184 S199 S201 D203 E205 F207 | G101-H180 PolarHBondContact O-N 2.69Å; G101-H180 VanDerWaalsContact O-N 3.11Å; N178-H180 CarbonylContact C-O 3.58Å; H180-N182 VanDerWaalsContact C-N 3.29Å; H180-V184 HydrophobicContact CB-CG2 4.33Å; H180-S199 PolarHBondContact NE2-OG 2.97Å; H180-S201 WeakPolarHBondContact ND1-CB 3.44Å; H180-D203 VanDerWaalsContact CA-OD2 3.26Å; H180-D203 WeakPolarHBondContact CA-OD2 3.45Å; H180-D203 WeakPolarHBondContact CB-OD2 3.47Å; H180-D203 IonicContact CE1-OD1 3.15Å; H180-D203 IonicContact CG-OD2 2.74Å; H180-D203 IonicContact ND1-OD1 3.65Å; H180-D203 PolarHBondContact ND1-OD1 3.28Å; H180-D203 IonicContact ND1-OD2 2.94Å; H180-D203 PolarHBondContact ND1-OD2 3.11Å; H180-E205 PolarHBondContact CE1-O 3.19Å; H180-F207 AromaticContact CE1-CD2 3.35Å; H180-F207 WeakPolarHBondContact CE1-CD2 3.46Å; H180-F207 AromaticContact CE1-CE2 3.73Å; H180-F207 AromaticContact ND1-CD2 3.87Å; H180-F207 AromaticContact ND1-CE2 3.8Å; H180-F207 AromaticContact NE2-CD2 3.47Å; H180-F207 WeakPolarHBondContact NE2-CD2 3.35Å |
| 181 | N | 87.8 | Confident | 87.5 | Confident | 134 Ų | 134 | 51.1 Ų | 51.1 | 72% | 0.717 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -88.6 | 1.1 | 179 | -64.1 | -88.1 | 0 | 0 | 0 | 112.4 | D203 | N181-D203 HydrophobicContact CB-CB 4.14Å; N181-D203 PolarHBondContact N-OD2 2.77Å |
| 182 | N | 88 | Confident | 87.8 | Confident | 65 Ų | 65 | 54.1 Ų | 54.1 | 35% | 0.348 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -160 | 176.6 | -171.5 | -153.6 | -32.8 | 0 | 0 | 0 | 109.4 | G101 H180 V184 S201 N202 D203 | G101-N182 WeakPolarHBondContact CA-O 3.46Å; H180-N182 VanDerWaalsContact C-N 3.29Å; N182-V184 PolarHBondContact O-N 3.34Å; N182-S201 PolarHBondContact O-OG 3.39Å; N182-N202 HydrophobicContact CB-CB 3.74Å; N182-N202 WeakPolarHBondContact ND2-CB 3.4Å; N182-N202 VanDerWaalsContact OD1-CB 3.28Å; N182-N202 WeakPolarHBondContact OD1-CB 3.41Å; N182-N202 PolarHBondContact OD1-ND2 2.96Å; N182-D203 HydrophobicContact CB-CB 3.95Å |
| 183 | V | 87.6 | Confident | 88 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | trans | -54.4 | 128.4 | -174.7 | -173.8 | 0 | 0 | 0 | 0 | 112.8 | T76 M99 R185 S201 N202 | T76-V183 HydrophobicContact CG2-CG1 3.79Å; M99-V183 HydrophobicContact CB-CG2 4.43Å; M99-V183 HydrophobicContact CE-CG2 4.4Å; M99-V183 HydrophobicContact SD-CB 4.3Å; M99-V183 HydrophobicContact SD-CG1 3.78Å; M99-V183 HydrophobicContact SD-CG2 3.52Å; M99-V183 VanDerWaalsContact SD-CG2 3.52Å; V183-R185 PolarHBondContact O-N 3.48Å; V183-S201 VanDerWaalsContact O-CA 3.32Å; V183-S201 WeakPolarHBondContact O-CA 3.44Å; V183-S201 PolarHBondContact O-OG 2.87Å; V183-N202 WeakPolarHBondContact CB-ND2 3.34Å; V183-N202 PolarHBondContact O-N 3.28Å; V183-N202 VanDerWaalsContact O-N 3.11Å | ||
| 184 | V | 90.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 105.3 | 168 | -173.5 | 0 | 0 | 0 | 0 | 109 | T76 S77 S98 L103 H180 N182 L187 | T76-V184 WeakPolarHBondContact CB-O 3.41Å; T76-V184 PolarHBondContact OG1-O 2.91Å; S77-V184 PolarHBondContact OG-O 3.26Å; S98-V184 PolarHBondContact O-N 3.45Å; L103-V184 HydrophobicContact CD2-CB 4.47Å; L103-V184 HydrophobicContact CD2-CG1 4.03Å; L103-V184 HydrophobicContact CD2-CG2 4Å; H180-V184 HydrophobicContact CB-CG2 4.33Å; N182-V184 PolarHBondContact O-N 3.34Å; V184-L187 HydrophobicContact CG1-CD2 4.21Å; V184-L187 HydrophobicContact CG1-CG 4.21Å |
| 185 | R | 87.5 | Confident | 88.2 | Confident | 88 Ų | 88 | 51 Ų | 51 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | -29.3 | -176.9 | -71.4 | -62.4 | -166.3 | -171.2 | 3.9 | 113.6 | V183 A200 N202 | V183-R185 PolarHBondContact O-N 3.48Å; R185-A200 PolarHBondContact N-O 3.27Å; R185-N202 WeakPolarHBondContact CG-OD1 3.45Å; R185-N202 PolarHBondContact NE-OD1 2.74Å |
| 186 | S | 90.5 | Very high | 88.5 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 12% | 0.119 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 145.2 | -171.8 | -171.7 | 0 | 0 | 0 | 0 | 113 | S199 A200 V233 | S186-S199 WeakPolarHBondContact O-CA 3.3Å; S186-A200 PolarHBondContact N-O 3.29Å; S186-A200 PolarHBondContact O-N 3.19Å; S186-V233 PolarHBondContact OG-N 3.41Å; S186-V233 VanDerWaalsContact OG-N 3.07Å |
| 187 | L | 93.1 | Very high | 88.8 | Confident | 17 Ų | 17 | 50.3 Ų | 50.3 | 9% | 0.089 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 134 | -178.7 | -70.8 | 168.3 | 0 | 0 | 0 | 109.2 | L79 I95 L103 V184 F197 A198 | L79-L187 HydrophobicContact CB-CB 4Å; L79-L187 HydrophobicContact CD2-CB 4.08Å; I95-L187 HydrophobicContact CB-CD1 4.49Å; I95-L187 HydrophobicContact CG2-CD1 3.97Å; L103-L187 HydrophobicContact CD2-CD2 3.97Å; V184-L187 HydrophobicContact CG1-CD2 4.21Å; V184-L187 HydrophobicContact CG1-CG 4.21Å; L187-F197 HydrophobicContact CD2-CD2 4.19Å; L187-F197 HydrophobicContact CD2-CE2 4.1Å; L187-A198 WeakPolarHBondContact CA-O 3.32Å |
| 188 | D | 93 | Very high | 89.2 | Confident | 26 Ų | 26 | 46.1 Ų | 46.1 | 14% | 0.139 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 150.1 | 171.2 | -173.8 | 27.4 | 0 | 0 | 0 | 111.9 | F197 A198 A234 W235 | D188-F197 CarbonylContact O-C 3.42Å; D188-F197 WeakPolarHBondContact O-CA 3.44Å; D188-A198 PolarHBondContact N-O 2.83Å; D188-A198 VanDerWaalsContact N-O 3.14Å; D188-A198 PolarHBondContact O-N 2.96Å; D188-A234 WeakPolarHBondContact OD2-CA 3.45Å; D188-W235 PolarHBondContact O-NE1 3.31Å; D188-W235 PolarHBondContact OD2-N 3.12Å |
| 189 | F | 91.7 | Very high | 89.8 | Confident | 37 Ų | 37 | 40.8 Ų | 40.8 | 16% | 0.162 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 151.2 | -175.9 | 78.8 | -90 | 0 | 0 | 0 | 114 | L79 T81 S82 R191 F197 W235 | L79-F189 HydrophobicContact CD1-CD1 4.17Å; L79-F189 HydrophobicContact CD2-CB 4.13Å; L79-F189 HydrophobicContact CD2-CD1 4.37Å; L79-F189 HydrophobicContact CG-CD1 4.41Å; T81-F189 HydrophobicContact CG2-CB 4.43Å; S82-F189 VanDerWaalsContact CB-CE2 3.47Å; F189-R191 HydrophobicContact CE2-CG 4.28Å; F189-R191 PolarHBondContact O-N 3.03Å; F189-F197 HydrophobicContact CB-CB 4.07Å; F189-W235 VanDerWaalsContact C-CD1 3.45Å |
| 190 | N | 90.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.011 | 18% | 0.18 | C | C | . | . | trans | -78.2 | 113.3 | 179.4 | -171.3 | -35.3 | 0 | 0 | 0 | 110.9 | F192 Q193 L196 W235 Q240 | N190-F192 PolarHBondContact O-N 2.86Å; N190-F192 VanDerWaalsContact O-N 3.11Å; N190-F192 WeakPolarHBondContact OD1-CB 3.31Å; N190-F192 PolarHBondContact OD1-N 3.35Å; N190-Q193 CarbonylContact O-C 3.53Å; N190-Q193 PolarHBondContact O-N 3.02Å; N190-Q193 PolarHBondContact OD1-N 2.95Å; N190-L196 HydrophobicContact CB-CB 3.89Å; N190-L196 WeakPolarHBondContact CB-O 3.34Å; N190-L196 PolarHBondContact N-O 3.36Å; N190-W235 HydrophobicContact CB-CD2 3.97Å; N190-W235 HydrophobicContact CB-CE3 4.13Å; N190-W235 HydrophobicContact CB-CH2 4.26Å; N190-W235 HydrophobicContact CB-CZ2 4.13Å; N190-W235 HydrophobicContact CB-CZ3 4.27Å; N190-W235 WeakPolarHBondContact ND2-CZ3 3.2Å; N190-Q240 PolarHBondContact ND2-O 3Å | ||
| 191 | R | 85.5 | Confident | 90.2 | Very high | 126 Ų | 126 | 37.7 Ų | 37.7 | 48% | 0.475 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -64.6 | -15.1 | -177.6 | -56.5 | -173.2 | -171.9 | -169 | 2 | 114.7 | F189 | F189-R191 HydrophobicContact CE2-CG 4.28Å; F189-R191 PolarHBondContact O-N 3.03Å |
| 192 | F | 86.9 | Confident | 90.2 | Very high | 103 Ų | 103 | 32.1 Ų | 32.1 | 45% | 0.452 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -100 | -33.8 | 179 | -62.2 | -91.5 | 0 | 0 | 0 | 112.9 | N190 R238 Q240 | N190-F192 PolarHBondContact O-N 2.86Å; N190-F192 VanDerWaalsContact O-N 3.11Å; N190-F192 WeakPolarHBondContact OD1-CB 3.31Å; N190-F192 PolarHBondContact OD1-N 3.35Å; F192-R238 VanDerWaalsContact CZ-C 3.48Å; F192-Q240 HydrophobicContact CB-CB 3.61Å; F192-Q240 HydrophobicContact CD1-CB 4.44Å; F192-Q240 HydrophobicContact CD2-CB 3.64Å; F192-Q240 HydrophobicContact CE2-CB 4.43Å; F192-Q240 HydrophobicContact CG-CB 3.64Å |
| 193 | Q | 88.2 | Confident | 90.2 | Very high | 76 Ų | 76 | 29.6 Ų | 29.6 | 36% | 0.355 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -122.6 | 84.9 | -179.5 | -61.2 | -172.5 | -101 | 0 | 0 | 107.5 | N190 N195 L196 | N190-Q193 CarbonylContact O-C 3.53Å; N190-Q193 PolarHBondContact O-N 3.02Å; N190-Q193 PolarHBondContact OD1-N 2.95Å; Q193-N195 PolarHBondContact O-N 2.97Å; Q193-L196 HydrophobicContact CB-CB 4.43Å; Q193-L196 HydrophobicContact CB-CD1 3.95Å; Q193-L196 HydrophobicContact CB-CG 4.02Å; Q193-L196 WeakPolarHBondContact O-CB 3.37Å; Q193-L196 PolarHBondContact O-N 3.3Å |
| 194 | T | 86.7 | Confident | 90.2 | Very high | 31 Ų | 31 | 31.7 Ų | 31.7 | 19% | 0.19 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -12.8 | -168.1 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | P83 L196 | P83-T194 WeakPolarHBondContact O-CB 3.35Å; P83-T194 PolarHBondContact O-OG1 3.09Å; T194-L196 VanDerWaalsContact C-N 3.3Å |
| 195 | N | 88 | Confident | 90.1 | Very high | 30 Ų | 30 | 34.2 Ų | 34.2 | 16% | 0.16 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -8.7 | 168.8 | 70.1 | -64.7 | 0 | 0 | 0 | 114 | I84 Q193 D210 V211 | I84-N195 HydrophobicContact CG2-CB 4.17Å; Q193-N195 PolarHBondContact O-N 2.97Å; N195-D210 PolarHBondContact ND2-OD1 2.86Å; N195-D210 WeakPolarHBondContact O-CA 3.47Å; N195-V211 WeakPolarHBondContact O-CG2 3.31Å; N195-V211 PolarHBondContact O-N 3.49Å |
| 196 | L | 91.9 | Very high | 90.4 | Very high | 29 Ų | 29 | 30.6 Ų | 30.6 | 15% | 0.152 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 131 | 179.4 | -59.9 | -175.8 | 0 | 0 | 0 | 112.2 | N190 Q193 T194 W209 D210 | N190-L196 HydrophobicContact CB-CB 3.89Å; N190-L196 WeakPolarHBondContact CB-O 3.34Å; N190-L196 PolarHBondContact N-O 3.36Å; Q193-L196 HydrophobicContact CB-CB 4.43Å; Q193-L196 HydrophobicContact CB-CD1 3.95Å; Q193-L196 HydrophobicContact CB-CG 4.02Å; Q193-L196 WeakPolarHBondContact O-CB 3.37Å; Q193-L196 PolarHBondContact O-N 3.3Å; T194-L196 VanDerWaalsContact C-N 3.3Å; L196-W209 VanDerWaalsContact CA-O 3.26Å; L196-W209 WeakPolarHBondContact CA-O 3.25Å; L196-D210 HydrophobicContact CD2-CB 3.83Å |
| 197 | F | 93.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 163.9 | 167 | 75.1 | -87.8 | 0 | 0 | 0 | 111.6 | I95 L103 L105 L187 D188 F189 I208 W209 V211 M214 | I95-F197 HydrophobicContact CD1-CD1 3.67Å; I95-F197 HydrophobicContact CD1-CD2 4.03Å; I95-F197 HydrophobicContact CD1-CE1 3.67Å; I95-F197 HydrophobicContact CD1-CE2 4.04Å; I95-F197 HydrophobicContact CD1-CG 3.86Å; I95-F197 HydrophobicContact CD1-CZ 3.86Å; I95-F197 HydrophobicContact CG2-CE2 4.28Å; I95-F197 HydrophobicContact CG2-CZ 4.43Å; L103-F197 HydrophobicContact CD1-CE2 4.18Å; L103-F197 HydrophobicContact CD1-CZ 4.36Å; L105-F197 HydrophobicContact CD2-CE1 4.11Å; L105-F197 HydrophobicContact CD2-CZ 4.38Å; L187-F197 HydrophobicContact CD2-CD2 4.19Å; L187-F197 HydrophobicContact CD2-CE2 4.1Å; D188-F197 CarbonylContact O-C 3.42Å; D188-F197 WeakPolarHBondContact O-CA 3.44Å; F189-F197 HydrophobicContact CB-CB 4.07Å; F197-I208 CarbonylContact O-C 3.53Å; F197-I208 WeakPolarHBondContact O-CA 3.48Å; F197-W209 HydrophobicContact CD1-CB 3.71Å; F197-W209 HydrophobicContact CD1-CG 4.44Å; F197-W209 HydrophobicContact CD2-CB 4.27Å; F197-W209 AromaticContact CD2-CD1 3.74Å; F197-W209 HydrophobicContact CD2-CG 4.24Å; F197-W209 HydrophobicContact CE1-CB 3.35Å; F197-W209 AromaticContact CE1-CG 3.89Å; F197-W209 HydrophobicContact CE1-CG 3.89Å; F197-W209 HydrophobicContact CE2-CB 3.97Å; F197-W209 AromaticContact CE2-CD1 3.29Å; F197-W209 HydrophobicContact CE2-CD2 4.5Å; F197-W209 AromaticContact CE2-CG 3.65Å; F197-W209 HydrophobicContact CE2-CG 3.65Å; F197-W209 AromaticContact CE2-NE1 3.96Å; F197-W209 HydrophobicContact CG-CB 4.15Å; F197-W209 HydrophobicContact CZ-CB 3.5Å; F197-W209 VanDerWaalsContact CZ-CB 3.5Å; F197-W209 AromaticContact CZ-CD1 3.62Å; F197-W209 HydrophobicContact CZ-CD2 4.15Å; F197-W209 AromaticContact CZ-CG 3.45Å; F197-W209 HydrophobicContact CZ-CG 3.45Å; F197-W209 VanDerWaalsContact CZ-CG 3.45Å; F197-W209 PolarHBondContact N-O 3.3Å; F197-W209 VanDerWaalsContact N-O 3.11Å; F197-W209 PolarHBondContact O-N 3.38Å; F197-V211 HydrophobicContact CD1-CG2 4.03Å; F197-V211 HydrophobicContact CE1-CG2 4.11Å; F197-M214 HydrophobicContact CE1-CE 4.1Å; F197-M214 HydrophobicContact CE1-SD 3.91Å; F197-M214 HydrophobicContact CZ-CE 3.99Å; F197-M214 HydrophobicContact CZ-SD 4.32Å |
| 198 | A | 94.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 141.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | L187 D188 F207 I208 V233 W235 L243 | L187-A198 WeakPolarHBondContact CA-O 3.32Å; D188-A198 PolarHBondContact N-O 2.83Å; D188-A198 VanDerWaalsContact N-O 3.14Å; D188-A198 PolarHBondContact O-N 2.96Å; A198-F207 CarbonylContact C-O 3.55Å; A198-F207 VanDerWaalsContact CA-O 3.25Å; A198-F207 WeakPolarHBondContact CA-O 3.31Å; A198-I208 HydrophobicContact CB-CG1 4.33Å; A198-V233 HydrophobicContact CB-CG2 3.88Å; A198-W235 HydrophobicContact CB-CZ2 4.17Å; A198-L243 HydrophobicContact CB-CD1 4.19Å; A198-L243 HydrophobicContact CB-CD2 4.42Å |
| 199 | S | 94.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 144.7 | 167.7 | 61.7 | 0 | 0 | 0 | 0 | 110.8 | H180 S186 I206 F207 W209 | H180-S199 PolarHBondContact NE2-OG 2.97Å; S186-S199 WeakPolarHBondContact O-CA 3.3Å; S199-I206 WeakPolarHBondContact O-CA 3.31Å; S199-F207 PolarHBondContact N-O 3.33Å; S199-F207 PolarHBondContact O-N 3.46Å; S199-W209 PolarHBondContact OG-NE1 3.49Å |
| 200 | A | 92 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 142.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | R185 S186 V230 V233 | R185-A200 PolarHBondContact N-O 3.27Å; S186-A200 PolarHBondContact N-O 3.29Å; S186-A200 PolarHBondContact O-N 3.19Å; A200-V230 HydrophobicContact CB-CB 4.04Å; A200-V230 HydrophobicContact CB-CG1 3.64Å; A200-V233 HydrophobicContact CB-CB 3.88Å; A200-V233 HydrophobicContact CB-CG1 3.9Å |
| 201 | S | 91.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 161.1 | -168.1 | 168.9 | 0 | 0 | 0 | 0 | 113.2 | H180 N182 V183 D203 E204 E205 V230 | H180-S201 WeakPolarHBondContact ND1-CB 3.44Å; N182-S201 PolarHBondContact O-OG 3.39Å; V183-S201 VanDerWaalsContact O-CA 3.32Å; V183-S201 WeakPolarHBondContact O-CA 3.44Å; V183-S201 PolarHBondContact O-OG 2.87Å; S201-D203 WeakPolarHBondContact CB-OD1 3.48Å; S201-D203 PolarHBondContact O-N 2.95Å; S201-D203 PolarHBondContact OG-N 3.49Å; S201-D203 VanDerWaalsContact OG-N 3.16Å; S201-D203 PolarHBondContact OG-OD1 3.35Å; S201-D203 PolarHBondContact OG-OD2 2.91Å; S201-D203 VanDerWaalsContact OG-OD2 3.08Å; S201-E204 PolarHBondContact O-N 2.97Å; S201-E205 PolarHBondContact N-O 3.37Å; S201-V230 PolarHBondContact O-N 3.14Å; S201-V230 VanDerWaalsContact O-N 3.16Å |
| 202 | N | 88.4 | Confident | 90 | Very high | 16 Ų | 16 | 26.4 Ų | 26.4 | 9% | 0.086 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -6.7 | 168.6 | -78.2 | -15.8 | 0 | 0 | 0 | 113.8 | N182 V183 R185 E204 N229 | N182-N202 HydrophobicContact CB-CB 3.74Å; N182-N202 WeakPolarHBondContact ND2-CB 3.4Å; N182-N202 VanDerWaalsContact OD1-CB 3.28Å; N182-N202 WeakPolarHBondContact OD1-CB 3.41Å; N182-N202 PolarHBondContact OD1-ND2 2.96Å; V183-N202 WeakPolarHBondContact CB-ND2 3.34Å; V183-N202 PolarHBondContact O-N 3.28Å; V183-N202 VanDerWaalsContact O-N 3.11Å; R185-N202 WeakPolarHBondContact CG-OD1 3.45Å; R185-N202 PolarHBondContact NE-OD1 2.74Å; N202-E204 VanDerWaalsContact C-N 3.32Å; N202-N229 WeakPolarHBondContact CB-ND2 3.41Å; N202-N229 VanDerWaalsContact CG-ND2 3.28Å; N202-N229 PolarHBondContact OD1-ND2 2.9Å |
| 203 | D | 87.9 | Confident | 89.8 | Confident | 12 Ų | 12 | 28.7 Ų | 28.7 | 6% | 0.064 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 14.2 | 176.7 | 61.2 | 19 | 0 | 0 | 0 | 114.2 | H180 N181 N182 S201 E205 K223 | H180-D203 VanDerWaalsContact CA-OD2 3.26Å; H180-D203 WeakPolarHBondContact CA-OD2 3.45Å; H180-D203 WeakPolarHBondContact CB-OD2 3.47Å; H180-D203 IonicContact CE1-OD1 3.15Å; H180-D203 IonicContact CG-OD2 2.74Å; H180-D203 IonicContact ND1-OD1 3.65Å; H180-D203 PolarHBondContact ND1-OD1 3.28Å; H180-D203 IonicContact ND1-OD2 2.94Å; H180-D203 PolarHBondContact ND1-OD2 3.11Å; N181-D203 HydrophobicContact CB-CB 4.14Å; N181-D203 PolarHBondContact N-OD2 2.77Å; N182-D203 HydrophobicContact CB-CB 3.95Å; S201-D203 WeakPolarHBondContact CB-OD1 3.48Å; S201-D203 PolarHBondContact O-N 2.95Å; S201-D203 PolarHBondContact OG-N 3.49Å; S201-D203 VanDerWaalsContact OG-N 3.16Å; S201-D203 PolarHBondContact OG-OD1 3.35Å; S201-D203 PolarHBondContact OG-OD2 2.91Å; S201-D203 VanDerWaalsContact OG-OD2 3.08Å; D203-E205 PolarHBondContact O-N 2.94Å; D203-E205 WeakPolarHBondContact OD1-CA 3.22Å; D203-E205 VanDerWaalsContact OD1-CB 3.3Å; D203-E205 WeakPolarHBondContact OD1-CB 3.46Å; D203-E205 PolarHBondContact OD1-N 2.83Å; D203-K223 PolarHBondContact O-NZ 3.46Å |
| 204 | E | 87.9 | Confident | 89.6 | Confident | 54 Ų | 54 | 25.5 Ų | 25.5 | 25% | 0.252 | 14% | 0.137 | S | C | . | . | S | Bend | trans | 65.2 | 5.4 | -175.2 | -36.9 | 119.8 | -169.3 | 0 | 0 | 114.8 | S201 N202 K223 L227 | S201-E204 PolarHBondContact O-N 2.97Å; N202-E204 VanDerWaalsContact C-N 3.32Å; E204-K223 HydrophobicContact CB-CD 4.09Å; E204-K223 VanDerWaalsContact OE2-CD 3.29Å; E204-K223 WeakPolarHBondContact OE2-CD 3.42Å; E204-K223 IonicContact OE2-NZ 3.04Å; E204-K223 PolarHBondContact OE2-NZ 3.18Å; E204-L227 HydrophobicContact CG-CB 4Å; E204-L227 HydrophobicContact CG-CD2 4.42Å |
| 205 | E | 89.5 | Confident | 89.2 | Confident | 54 Ų | 54 | 31.4 Ų | 31.4 | 25% | 0.252 | 16% | 0.162 | S | C | . | . | trans | -99.7 | 145.1 | -176.6 | -66.8 | 172.1 | -155.4 | 0 | 0 | 112.2 | H180 S201 D203 F207 K223 | H180-E205 PolarHBondContact CE1-O 3.19Å; S201-E205 PolarHBondContact N-O 3.37Å; D203-E205 PolarHBondContact O-N 2.94Å; D203-E205 WeakPolarHBondContact OD1-CA 3.22Å; D203-E205 VanDerWaalsContact OD1-CB 3.3Å; D203-E205 WeakPolarHBondContact OD1-CB 3.46Å; D203-E205 PolarHBondContact OD1-N 2.83Å; E205-F207 HydrophobicContact CB-CE2 4.49Å; E205-F207 HydrophobicContact CB-CZ 4.26Å; E205-F207 VanDerWaalsContact OE2-CZ 3.22Å; E205-F207 WeakPolarHBondContact OE2-CZ 3.18Å; E205-K223 WeakPolarHBondContact OE1-CE 3.35Å; E205-K223 IonicContact OE1-NZ 3.24Å; E205-K223 PolarHBondContact OE1-NZ 2.99Å | ||
| 206 | I | 92.9 | Very high | 89 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 6% | 0.062 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 114.6 | 178.9 | -56.9 | 152.2 | 0 | 0 | 0 | 105.7 | S199 P220 V230 L243 T245 W254 | S199-I206 WeakPolarHBondContact O-CA 3.31Å; I206-P220 HydrophobicContact CB-CG 3.95Å; I206-P220 HydrophobicContact CD1-CG 4.25Å; I206-P220 HydrophobicContact CG2-CG 3.95Å; I206-P220 WeakPolarHBondContact O-CD 3.22Å; I206-V230 HydrophobicContact CD1-CG2 4.47Å; I206-V230 HydrophobicContact CG1-CG1 4.47Å; I206-V230 HydrophobicContact CG1-CG2 4.22Å; I206-L243 HydrophobicContact CG2-CD2 4.01Å; I206-T245 HydrophobicContact CD1-CG2 3.75Å; I206-T245 HydrophobicContact CG1-CG2 4.14Å; I206-T245 HydrophobicContact CG2-CG2 4.46Å; I206-W254 HydrophobicContact CD1-CH2 4.42Å; I206-W254 HydrophobicContact CD1-CZ2 3.56Å |
| 207 | F | 93.1 | Very high | 88.8 | Confident | 27 Ų | 27 | 38.4 Ų | 38.4 | 12% | 0.118 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 132.4 | 178.9 | -70.4 | -42.9 | 0 | 0 | 0 | 110.7 | I179 H180 A198 S199 E205 W209 P217 | I179-F207 HydrophobicContact CG2-CE2 4.26Å; H180-F207 AromaticContact CE1-CD2 3.35Å; H180-F207 WeakPolarHBondContact CE1-CD2 3.46Å; H180-F207 AromaticContact CE1-CE2 3.73Å; H180-F207 AromaticContact ND1-CD2 3.87Å; H180-F207 AromaticContact ND1-CE2 3.8Å; H180-F207 AromaticContact NE2-CD2 3.47Å; H180-F207 WeakPolarHBondContact NE2-CD2 3.35Å; A198-F207 CarbonylContact C-O 3.55Å; A198-F207 VanDerWaalsContact CA-O 3.25Å; A198-F207 WeakPolarHBondContact CA-O 3.31Å; S199-F207 PolarHBondContact N-O 3.33Å; S199-F207 PolarHBondContact O-N 3.46Å; E205-F207 HydrophobicContact CB-CE2 4.49Å; E205-F207 HydrophobicContact CB-CZ 4.26Å; E205-F207 VanDerWaalsContact OE2-CZ 3.22Å; E205-F207 WeakPolarHBondContact OE2-CZ 3.18Å; F207-W209 HydrophobicContact CB-CZ2 3.79Å; F207-W209 AromaticContact CD2-CZ2 3.92Å; F207-W209 HydrophobicContact CD2-CZ2 3.92Å; F207-W209 HydrophobicContact CG-CZ2 4.17Å; F207-W209 PolarHBondContact O-NE1 2.89Å; F207-P217 HydrophobicContact CB-CB 3.83Å; F207-P217 HydrophobicContact CD1-CB 3.95Å; F207-P217 HydrophobicContact CD1-CG 4.13Å; F207-P217 HydrophobicContact CG-CB 3.93Å; F207-P217 HydrophobicContact CG-CG 4.24Å |
| 208 | I | 93.6 | Very high | 88.6 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 117.3 | 174.5 | -62.4 | 154.2 | 0 | 0 | 0 | 107.4 | F197 A198 M218 P220 W235 L256 | F197-I208 CarbonylContact O-C 3.53Å; F197-I208 WeakPolarHBondContact O-CA 3.48Å; A198-I208 HydrophobicContact CB-CG1 4.33Å; I208-M218 HydrophobicContact CB-CB 4.26Å; I208-M218 WeakPolarHBondContact CB-O 3.49Å; I208-M218 PolarHBondContact N-O 3.43Å; I208-M218 PolarHBondContact O-N 3.14Å; I208-P220 HydrophobicContact CD1-CB 4.02Å; I208-W235 HydrophobicContact CG1-CZ2 4.48Å; I208-W235 HydrophobicContact CG2-CH2 4.12Å; I208-W235 HydrophobicContact CG2-CZ2 4.1Å; I208-L256 HydrophobicContact CD1-CD1 3.76Å; I208-L256 HydrophobicContact CD1-CD2 3.45Å; I208-L256 VanDerWaalsContact CD1-CD2 3.45Å; I208-L256 HydrophobicContact CD1-CG 4.25Å |
| 209 | W | 91.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 136.1 | -171.3 | -59.5 | 91 | 0 | 0 | 0 | 110 | L103 I179 L196 F197 S199 F207 M214 P217 | L103-W209 HydrophobicContact CD1-CD2 4.35Å; L103-W209 HydrophobicContact CD1-CH2 4.41Å; L103-W209 HydrophobicContact CD1-CZ2 3.68Å; I179-W209 HydrophobicContact CB-CH2 4.22Å; I179-W209 HydrophobicContact CD1-CH2 3.75Å; I179-W209 HydrophobicContact CD1-CZ3 4.17Å; I179-W209 HydrophobicContact CG2-CH2 3.86Å; I179-W209 HydrophobicContact CG2-CZ2 4.48Å; L196-W209 VanDerWaalsContact CA-O 3.26Å; L196-W209 WeakPolarHBondContact CA-O 3.25Å; F197-W209 HydrophobicContact CD1-CB 3.71Å; F197-W209 HydrophobicContact CD1-CG 4.44Å; F197-W209 HydrophobicContact CD2-CB 4.27Å; F197-W209 AromaticContact CD2-CD1 3.74Å; F197-W209 HydrophobicContact CD2-CG 4.24Å; F197-W209 HydrophobicContact CE1-CB 3.35Å; F197-W209 AromaticContact CE1-CG 3.89Å; F197-W209 HydrophobicContact CE1-CG 3.89Å; F197-W209 HydrophobicContact CE2-CB 3.97Å; F197-W209 AromaticContact CE2-CD1 3.29Å; F197-W209 HydrophobicContact CE2-CD2 4.5Å; F197-W209 AromaticContact CE2-CG 3.65Å; F197-W209 HydrophobicContact CE2-CG 3.65Å; F197-W209 AromaticContact CE2-NE1 3.96Å; F197-W209 HydrophobicContact CG-CB 4.15Å; F197-W209 HydrophobicContact CZ-CB 3.5Å; F197-W209 VanDerWaalsContact CZ-CB 3.5Å; F197-W209 AromaticContact CZ-CD1 3.62Å; F197-W209 HydrophobicContact CZ-CD2 4.15Å; F197-W209 AromaticContact CZ-CG 3.45Å; F197-W209 HydrophobicContact CZ-CG 3.45Å; F197-W209 VanDerWaalsContact CZ-CG 3.45Å; F197-W209 PolarHBondContact N-O 3.3Å; F197-W209 VanDerWaalsContact N-O 3.11Å; F197-W209 PolarHBondContact O-N 3.38Å; S199-W209 PolarHBondContact OG-NE1 3.49Å; F207-W209 HydrophobicContact CB-CZ2 3.79Å; F207-W209 AromaticContact CD2-CZ2 3.92Å; F207-W209 HydrophobicContact CD2-CZ2 3.92Å; F207-W209 HydrophobicContact CG-CZ2 4.17Å; F207-W209 PolarHBondContact O-NE1 2.89Å; W209-M214 HydrophobicContact CB-SD 3.99Å; W209-M214 HydrophobicContact CD2-CE 4.45Å; W209-M214 HydrophobicContact CE3-CE 3.94Å; W209-M214 HydrophobicContact CE3-SD 4Å; W209-P217 HydrophobicContact CD2-CB 4.08Å; W209-P217 HydrophobicContact CE3-CB 3.92Å; W209-P217 HydrophobicContact CE3-CG 4.43Å; W209-P217 HydrophobicContact CH2-CB 3.92Å; W209-P217 HydrophobicContact CH2-CG 3.78Å; W209-P217 HydrophobicContact CZ2-CB 4.08Å; W209-P217 HydrophobicContact CZ2-CG 4.3Å; W209-P217 HydrophobicContact CZ3-CB 3.84Å; W209-P217 HydrophobicContact CZ3-CG 3.85Å |
| 210 | D | 90.1 | Very high | 88 | Confident | 46 Ų | 46 | 47.7 Ų | 47.7 | 25% | 0.246 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 117.4 | 162.7 | 179.9 | -0.1 | 0 | 0 | 0 | 107.7 | N195 L196 G212 K213 M214 | N195-D210 PolarHBondContact ND2-OD1 2.86Å; N195-D210 WeakPolarHBondContact O-CA 3.47Å; L196-D210 HydrophobicContact CD2-CB 3.83Å; D210-G212 PolarHBondContact O-N 2.8Å; D210-G212 VanDerWaalsContact O-N 3.15Å; D210-G212 PolarHBondContact OD1-N 3.33Å; D210-G212 VanDerWaalsContact OD1-N 3.12Å; D210-K213 HydrophobicContact CB-CB 4.16Å; D210-K213 CarbonylContact O-C 3.5Å; D210-K213 WeakPolarHBondContact O-CA 3.2Å; D210-K213 PolarHBondContact O-N 3.49Å; D210-M214 WeakPolarHBondContact O-CG 3.29Å; D210-M214 PolarHBondContact O-N 3.24Å |
| 211 | V | 86.5 | Confident | 87.6 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.03 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -30.6 | -179.2 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | I84 L93 Y173 N195 F197 M214 | I84-V211 HydrophobicContact CD1-CB 4.23Å; I84-V211 HydrophobicContact CD1-CG1 3.99Å; I84-V211 HydrophobicContact CD1-CG2 4.05Å; L93-V211 HydrophobicContact CD1-CG1 3.77Å; L93-V211 HydrophobicContact CD1-CG2 4.44Å; Y173-V211 HydrophobicContact CE1-CG1 3.78Å; N195-V211 WeakPolarHBondContact O-CG2 3.31Å; N195-V211 PolarHBondContact O-N 3.49Å; F197-V211 HydrophobicContact CD1-CG2 4.03Å; F197-V211 HydrophobicContact CE1-CG2 4.11Å; V211-M214 WeakPolarHBondContact O-CG 3.27Å |
| 212 | G | 81.7 | Confident | 87.1 | Confident | 50 Ų | 50 | 53.4 Ų | 53.4 | 52% | 0.515 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -10.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | D210 | D210-G212 PolarHBondContact O-N 2.8Å; D210-G212 VanDerWaalsContact O-N 3.15Å; D210-G212 PolarHBondContact OD1-N 3.33Å; D210-G212 VanDerWaalsContact OD1-N 3.12Å |
| 213 | K | 81.7 | Confident | 86.9 | Confident | 151 Ų | 151 | 56.7 Ų | 56.7 | 66% | 0.657 | 31% | 0.307 | S | S | * | . | trans | -145.1 | 43.7 | -172.9 | -64.4 | -178.6 | -177.2 | 165.8 | 0 | 113.4 | D210 E215 H216 | D210-K213 HydrophobicContact CB-CB 4.16Å; D210-K213 CarbonylContact O-C 3.5Å; D210-K213 WeakPolarHBondContact O-CA 3.2Å; D210-K213 PolarHBondContact O-N 3.49Å; K213-E215 PolarHBondContact O-N 3.15Å; K213-H216 PolarHBondContact O-N 3.02Å | ||
| 214 | M | 84.6 | Confident | 86.6 | Confident | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 2.6 | -176.3 | -65.1 | -74.4 | -70.4 | 0 | 0 | 116.4 | L105 K174 F197 W209 D210 V211 | L105-M214 HydrophobicContact CD1-CE 3.7Å; L105-M214 HydrophobicContact CD2-CE 3.73Å; L105-M214 HydrophobicContact CD2-SD 4.4Å; L105-M214 HydrophobicContact CG-CE 4.41Å; K174-M214 HydrophobicContact CD-CB 3.9Å; K174-M214 HydrophobicContact CD-CG 4.28Å; F197-M214 HydrophobicContact CE1-CE 4.1Å; F197-M214 HydrophobicContact CE1-SD 3.91Å; F197-M214 HydrophobicContact CZ-CE 3.99Å; F197-M214 HydrophobicContact CZ-SD 4.32Å; W209-M214 HydrophobicContact CB-SD 3.99Å; W209-M214 HydrophobicContact CD2-CE 4.45Å; W209-M214 HydrophobicContact CE3-CE 3.94Å; W209-M214 HydrophobicContact CE3-SD 4Å; D210-M214 WeakPolarHBondContact O-CG 3.29Å; D210-M214 PolarHBondContact O-N 3.24Å; V211-M214 WeakPolarHBondContact O-CG 3.27Å |
| 215 | E | 79.1 | Confident | 86.1 | Confident | 155 Ų | 155 | 63.1 Ų | 63.1 | 72% | 0.724 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -22.8 | -180 | -63.5 | -177.2 | 171.4 | 0 | 0 | 113.3 | K213 | K213-E215 PolarHBondContact O-N 3.15Š|
| 216 | H | 83.2 | Confident | 85.7 | Confident | 166 Ų | 166 | 64.9 Ų | 64.9 | 77% | 0.769 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -133.5 | 80.7 | -176.1 | -67.7 | -12.9 | 0 | 0 | 0 | 110.2 | K213 | K213-H216 PolarHBondContact O-N 3.02Š|
| 217 | P | 88.1 | Confident | 85.2 | Confident | 40 Ų | 40 | 68.6 Ų | 68.6 | 26% | 0.26 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 144.5 | 172.3 | 24.1 | -33.2 | 0 | 0 | 0 | 111.6 | F207 W209 | F207-P217 HydrophobicContact CB-CB 3.83Å; F207-P217 HydrophobicContact CD1-CB 3.95Å; F207-P217 HydrophobicContact CD1-CG 4.13Å; F207-P217 HydrophobicContact CG-CB 3.93Å; F207-P217 HydrophobicContact CG-CG 4.24Å; W209-P217 HydrophobicContact CD2-CB 4.08Å; W209-P217 HydrophobicContact CE3-CB 3.92Å; W209-P217 HydrophobicContact CE3-CG 4.43Å; W209-P217 HydrophobicContact CH2-CB 3.92Å; W209-P217 HydrophobicContact CH2-CG 3.78Å; W209-P217 HydrophobicContact CZ2-CB 4.08Å; W209-P217 HydrophobicContact CZ2-CG 4.3Å; W209-P217 HydrophobicContact CZ3-CB 3.84Å; W209-P217 HydrophobicContact CZ3-CG 3.85Å |
| 218 | M | 88.4 | Confident | 84.9 | Confident | 114 Ų | 114 | 69.6 Ų | 69.6 | 56% | 0.562 | 38% | 0.378 | S | S | * | . | B | Isolated β-bridge | trans | -94.8 | 126.3 | 177.3 | 177.9 | -175.7 | -60.4 | 0 | 0 | 110.3 | I208 | I208-M218 HydrophobicContact CB-CB 4.26Å; I208-M218 WeakPolarHBondContact CB-O 3.49Å; I208-M218 PolarHBondContact N-O 3.43Å; I208-M218 PolarHBondContact O-N 3.14Å |
| 219 | S | 89.3 | Confident | 84.6 | Confident | 74 Ų | 74 | 72 Ų | 72 | 52% | 0.517 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 140.5 | 166.7 | 55.3 | 0 | 0 | 0 | 0 | 110.8 | G221 | S219-G221 PolarHBondContact O-N 2.87Š|
| 220 | P | 87.6 | Confident | 84.5 | Confident | 9 Ų | 9 | 72.4 Ų | 72.4 | 6% | 0.058 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -72 | -14.3 | 177.7 | 30.2 | -35.9 | 0 | 0 | 0 | 113.3 | I206 I208 W254 L256 G260 | I206-P220 HydrophobicContact CB-CG 3.95Å; I206-P220 HydrophobicContact CD1-CG 4.25Å; I206-P220 HydrophobicContact CG2-CG 3.95Å; I206-P220 WeakPolarHBondContact O-CD 3.22Å; I208-P220 HydrophobicContact CD1-CB 4.02Å; P220-W254 HydrophobicContact CB-CB 4.36Å; P220-W254 HydrophobicContact CB-CD2 4Å; P220-W254 HydrophobicContact CB-CE3 3.8Å; P220-W254 HydrophobicContact CB-CG 4.26Å; P220-W254 HydrophobicContact CB-CZ3 4.39Å; P220-W254 HydrophobicContact CG-CD2 4.08Å; P220-W254 HydrophobicContact CG-CE3 4Å; P220-W254 HydrophobicContact CG-CZ3 4.23Å; P220-L256 HydrophobicContact CB-CD2 3.64Å; P220-G260 PolarHBondContact O-N 2.95Å |
| 221 | G | 83.5 | Confident | 84.4 | Confident | 21 Ų | 21 | 72.5 Ų | 72.5 | 22% | 0.216 | 39% | 0.394 | C | S | . | . | S | Bend | trans | 167.8 | -171.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S219 | S219-G221 PolarHBondContact O-N 2.87Š|
| 222 | S | 80.4 | Confident | 84.5 | Confident | 99 Ų | 99 | 74.6 Ų | 74.6 | 69% | 0.692 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -67.8 | 150.8 | 173.7 | -53.4 | 0 | 0 | 0 | 0 | 112.1 | I224 | S222-I224 PolarHBondContact O-N 2.62Š|
| 223 | K | 83.9 | Confident | 85.1 | Confident | 84 Ų | 84 | 72.4 Ų | 72.4 | 37% | 0.365 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 137 | 168.8 | -60.3 | -162.8 | -176.5 | -151.8 | 0 | 111 | D203 E204 E205 L227 | D203-K223 PolarHBondContact O-NZ 3.46Å; E204-K223 HydrophobicContact CB-CD 4.09Å; E204-K223 VanDerWaalsContact OE2-CD 3.29Å; E204-K223 WeakPolarHBondContact OE2-CD 3.42Å; E204-K223 IonicContact OE2-NZ 3.04Å; E204-K223 PolarHBondContact OE2-NZ 3.18Å; E205-K223 WeakPolarHBondContact OE1-CE 3.35Å; E205-K223 IonicContact OE1-NZ 3.24Å; E205-K223 PolarHBondContact OE1-NZ 2.99Å; K223-L227 HydrophobicContact CB-CD2 3.95Å; K223-L227 HydrophobicContact CD-CD2 4.05Å |
| 224 | I | 82 | Confident | 85.6 | Confident | 39 Ų | 39 | 65.8 Ų | 65.8 | 20% | 0.2 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -91.3 | 135.2 | -179.7 | -58.9 | 172.6 | 0 | 0 | 0 | 108.6 | S222 P226 V252 W254 P261 | S222-I224 PolarHBondContact O-N 2.62Å; I224-P226 CarbonylContact O-C 3.51Å; I224-V252 HydrophobicContact CD1-CB 4.45Å; I224-V252 HydrophobicContact CD1-CG1 3.67Å; I224-V252 HydrophobicContact CD1-CG2 3.99Å; I224-W254 HydrophobicContact CD1-CH2 3.63Å; I224-W254 HydrophobicContact CD1-CZ2 3.73Å; I224-W254 HydrophobicContact CD1-CZ3 4.47Å; I224-W254 HydrophobicContact CG1-CH2 3.96Å; I224-W254 HydrophobicContact CG1-CZ2 4.45Å; I224-P261 HydrophobicContact CD1-CB 4.04Å; I224-P261 HydrophobicContact CD1-CG 3.82Å; I224-P261 HydrophobicContact CG1-CG 4.32Å |
| 225 | Q | 77.9 | Confident | 86.1 | Confident | 162 Ų | 162 | 65.7 Ų | 65.7 | 76% | 0.757 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -95.5 | 149.4 | 175.7 | -68.8 | -173.1 | 3.5 | 0 | 0 | 112.4 | ||
| 226 | P | 81 | Confident | 86.7 | Confident | 91 Ų | 91 | 58.5 Ų | 58.5 | 59% | 0.591 | 32% | 0.319 | S | S | * | . | S | Bend | cis | -62.3 | 161.3 | -10.1 | 21.7 | -26 | 0 | 0 | 0 | 111.9 | I224 R250 | I224-P226 CarbonylContact O-C 3.51Å; P226-R250 PolarHBondContact O-NH1 2.73Å; P226-R250 PolarHBondContact O-NH2 3.31Å |
| 227 | L | 82.1 | Confident | 86.9 | Confident | 91 Ų | 91 | 51.3 Ų | 51.3 | 48% | 0.476 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 133 | -178 | -62.3 | 176.6 | 0 | 0 | 0 | 109.7 | E204 K223 | E204-L227 HydrophobicContact CG-CB 4Å; E204-L227 HydrophobicContact CG-CD2 4.42Å; K223-L227 HydrophobicContact CB-CD2 3.95Å; K223-L227 HydrophobicContact CD-CD2 4.05Å |
| 228 | E | 86.3 | Confident | 86.9 | Confident | 47 Ų | 47 | 54.3 Ų | 54.3 | 22% | 0.22 | 29% | 0.294 | C | S | . | . | trans | -146 | 144.5 | -178.8 | -76.7 | 167.8 | -161 | 0 | 0 | 109.5 | S247 R250 | E228-S247 WeakPolarHBondContact OE2-CB 3.36Å; E228-S247 PolarHBondContact OE2-OG 3.01Å; E228-R250 VanDerWaalsContact CD-CZ 3.41Å; E228-R250 VanDerWaalsContact CD-NE 3.33Å; E228-R250 IonicContact OE1-CZ 3.93Å; E228-R250 VanDerWaalsContact OE1-CZ 3.24Å; E228-R250 IonicContact OE1-NE 3.53Å; E228-R250 PolarHBondContact OE1-NE 3.43Å; E228-R250 IonicContact OE1-NH2 2.67Å; E228-R250 PolarHBondContact OE1-NH2 3.34Å; E228-R250 IonicContact OE2-CZ 2.67Å; E228-R250 VanDerWaalsContact OE2-CZ 3.25Å; E228-R250 IonicContact OE2-NE 2.96Å; E228-R250 PolarHBondContact OE2-NE 3.18Å; E228-R250 IonicContact OE2-NH2 2.65Å; E228-R250 PolarHBondContact OE2-NH2 2.83Å | ||
| 229 | N | 87.6 | Confident | 87.1 | Confident | 59 Ų | 59 | 50.5 Ų | 50.5 | 32% | 0.316 | 28% | 0.277 | S | S | . | . | trans | -56.8 | 141.2 | 172.4 | -59.3 | 35.6 | 0 | 0 | 0 | 111.3 | N202 S247 | N202-N229 WeakPolarHBondContact CB-ND2 3.41Å; N202-N229 VanDerWaalsContact CG-ND2 3.28Å; N202-N229 PolarHBondContact OD1-ND2 2.9Å; N229-S247 WeakPolarHBondContact O-CA 3.08Å; N229-S247 WeakPolarHBondContact O-CB 3.46Å | ||
| 230 | V | 89.7 | Confident | 87.2 | Confident | 10 Ų | 10 | 51.3 Ų | 51.3 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 113.2 | 174.1 | -171 | 0 | 0 | 0 | 0 | 109.3 | A200 S201 I206 T245 T246 | A200-V230 HydrophobicContact CB-CB 4.04Å; A200-V230 HydrophobicContact CB-CG1 3.64Å; S201-V230 PolarHBondContact O-N 3.14Å; S201-V230 VanDerWaalsContact O-N 3.16Å; I206-V230 HydrophobicContact CD1-CG2 4.47Å; I206-V230 HydrophobicContact CG1-CG1 4.47Å; I206-V230 HydrophobicContact CG1-CG2 4.22Å; V230-T245 HydrophobicContact CG1-CG2 4.15Å; V230-T246 CarbonylContact C-O 3.55Å; V230-T246 WeakPolarHBondContact CA-O 3.33Å; V230-T246 WeakPolarHBondContact CG1-O 3.22Å |
| 231 | N | 87.3 | Confident | 87.3 | Confident | 47 Ų | 47 | 52.5 Ų | 52.5 | 25% | 0.251 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -43.3 | -173.3 | -70.3 | -4.9 | 0 | 0 | 0 | 112.2 | T246 | N231-T246 PolarHBondContact N-O 3.4Å |
| 232 | Q | 89.5 | Confident | 87.8 | Confident | 49 Ų | 49 | 53.2 Ų | 53.2 | 23% | 0.229 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 145.6 | -175.8 | -163.1 | -169.8 | -4.2 | 0 | 0 | 110.7 | T245 T246 M277 | Q232-T245 VanDerWaalsContact O-CA 3.28Å; Q232-T245 WeakPolarHBondContact O-CA 3.41Å; Q232-T246 WeakPolarHBondContact CB-OG1 3.31Å; Q232-T246 PolarHBondContact N-OG1 3.5Å; Q232-T246 PolarHBondContact O-N 2.9Å; Q232-M277 VanDerWaalsContact C-CE 3.41Å; Q232-M277 HydrophobicContact CB-CE 3.77Å; Q232-M277 HydrophobicContact CG-CE 3.77Å; Q232-M277 HydrophobicContact CG-CG 4.45Å; Q232-M277 PolarHBondContact NE2-O 3.48Å; Q232-M277 WeakPolarHBondContact O-CE 3.39Å; Q232-M277 VanDerWaalsContact OE1-CG 3.22Å; Q232-M277 PolarHBondContact OE1-O 3.48Å |
| 233 | V | 93.2 | Very high | 88.5 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 142.2 | 169.1 | 60.4 | 0 | 0 | 0 | 0 | 110.2 | S186 A198 A200 L243 C244 T245 | S186-V233 PolarHBondContact OG-N 3.41Å; S186-V233 VanDerWaalsContact OG-N 3.07Å; A198-V233 HydrophobicContact CB-CG2 3.88Å; A200-V233 HydrophobicContact CB-CB 3.88Å; A200-V233 HydrophobicContact CB-CG1 3.9Å; V233-L243 HydrophobicContact CG2-CD1 3.65Å; V233-L243 HydrophobicContact CG2-CD2 3.92Å; V233-L243 HydrophobicContact CG2-CG 3.88Å; V233-C244 WeakPolarHBondContact CA-O 3.48Å; V233-T245 HydrophobicContact CB-CG2 4.16Å; V233-T245 HydrophobicContact CG2-CG2 3.94Å |
| 234 | A | 93.8 | Very high | 89 | Confident | 12 Ų | 12 | 44.5 Ų | 44.5 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 126.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D188 C244 M277 W279 | D188-A234 WeakPolarHBondContact OD2-CA 3.45Å; A234-C244 PolarHBondContact N-O 3.12Å; A234-C244 PolarHBondContact O-N 3.04Å; A234-M277 HydrophobicContact CB-CE 3.77Å; A234-M277 HydrophobicContact CB-SD 4.2Å; A234-W279 PolarHBondContact O-NE1 3.02Å |
| 235 | W | 93.8 | Very high | 89.5 | Confident | 6 Ų | 6 | 42.9 Ų | 42.9 | 2% | 0.023 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 144.5 | 173.8 | -70.8 | 90.8 | 0 | 0 | 0 | 111.7 | D188 F189 N190 A198 I208 P237 L243 L256 | D188-W235 PolarHBondContact O-NE1 3.31Å; D188-W235 PolarHBondContact OD2-N 3.12Å; F189-W235 VanDerWaalsContact C-CD1 3.45Å; N190-W235 HydrophobicContact CB-CD2 3.97Å; N190-W235 HydrophobicContact CB-CE3 4.13Å; N190-W235 HydrophobicContact CB-CH2 4.26Å; N190-W235 HydrophobicContact CB-CZ2 4.13Å; N190-W235 HydrophobicContact CB-CZ3 4.27Å; N190-W235 WeakPolarHBondContact ND2-CZ3 3.2Å; A198-W235 HydrophobicContact CB-CZ2 4.17Å; I208-W235 HydrophobicContact CG1-CZ2 4.48Å; I208-W235 HydrophobicContact CG2-CH2 4.12Å; I208-W235 HydrophobicContact CG2-CZ2 4.1Å; W235-P237 WeakPolarHBondContact O-CD 3.33Å; W235-L243 HydrophobicContact CB-CD1 4.43Å; W235-L243 HydrophobicContact CD2-CD1 3.54Å; W235-L243 HydrophobicContact CE3-CD1 4.03Å; W235-L243 HydrophobicContact CG-CD1 3.71Å; W235-L243 HydrophobicContact CZ2-CD1 4.28Å; W235-L256 HydrophobicContact CH2-CD1 3.45Å; W235-L256 VanDerWaalsContact CH2-CD1 3.45Å; W235-L256 HydrophobicContact CZ3-CD1 3.51Å |
| 236 | N | 92.2 | Very high | 90.2 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | trans | -71.7 | 118.9 | 174 | -171.5 | -69.6 | 0 | 0 | 0 | 110.4 | R238 V239 I242 W279 A284 | N236-R238 PolarHBondContact O-N 3.27Å; N236-R238 VanDerWaalsContact O-N 3.07Å; N236-R238 PolarHBondContact OD1-N 2.77Å; N236-V239 HydrophobicContact CB-CB 4.39Å; N236-V239 PolarHBondContact O-N 3.23Å; N236-V239 PolarHBondContact OD1-N 3.01Å; N236-I242 HydrophobicContact CB-CB 3.73Å; N236-I242 HydrophobicContact CB-CG2 3.91Å; N236-I242 WeakPolarHBondContact CB-O 3.42Å; N236-I242 PolarHBondContact N-O 2.89Å; N236-W279 HydrophobicContact CB-CD2 4.35Å; N236-W279 HydrophobicContact CB-CZ2 4.08Å; N236-W279 VanDerWaalsContact ND2-CE3 3.33Å; N236-W279 VanDerWaalsContact ND2-CH2 3.31Å; N236-W279 WeakPolarHBondContact ND2-CH2 3.42Å; N236-W279 WeakPolarHBondContact ND2-CZ3 3.3Å; N236-A284 PolarHBondContact ND2-O 2.67Å | ||
| 237 | P | 87.3 | Confident | 90.6 | Very high | 15 Ų | 15 | 31.4 Ų | 31.4 | 10% | 0.097 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -6.4 | -172.7 | 30.8 | -37.1 | 0 | 0 | 0 | 113.8 | W235 W279 S280 | W235-P237 WeakPolarHBondContact O-CD 3.33Å; P237-W279 HydrophobicContact CG-CB 4.26Å; P237-S280 WeakPolarHBondContact CG-O 3.37Å |
| 238 | R | 88.6 | Confident | 90.7 | Very high | 104 Ų | 104 | 30.8 Ų | 30.8 | 39% | 0.392 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -12.5 | 180 | -69.1 | -77.5 | 161.9 | 120.5 | -8.5 | 113.3 | F192 N236 P281 D282 A284 | F192-R238 VanDerWaalsContact CZ-C 3.48Å; N236-R238 PolarHBondContact O-N 3.27Å; N236-R238 VanDerWaalsContact O-N 3.07Å; N236-R238 PolarHBondContact OD1-N 2.77Å; R238-P281 PolarHBondContact NE-O 2.85Å; R238-P281 PolarHBondContact NH2-O 3.13Å; R238-D282 VanDerWaalsContact CZ-CA 3.44Å; R238-D282 IonicContact CZ-OD1 2.75Å; R238-D282 VanDerWaalsContact CZ-OD1 3.22Å; R238-D282 PolarHBondContact NH1-O 3.2Å; R238-D282 IonicContact NH1-OD1 3.16Å; R238-D282 PolarHBondContact NH1-OD1 2.76Å; R238-D282 IonicContact NH2-OD1 2.77Å; R238-D282 PolarHBondContact NH2-OD1 3.45Å; R238-D282 IonicContact NH2-OD2 3.46Å; R238-D282 PolarHBondContact NH2-OD2 2.95Å; R238-D282 VanDerWaalsContact NH2-OD2 3.12Å; R238-A284 HydrophobicContact CB-CB 3.76Å |
| 239 | V | 91.8 | Very high | 90.6 | Very high | 33 Ų | 33 | 29 Ų | 29 | 20% | 0.2 | 15% | 0.147 | C | C | . | . | trans | -140.3 | 102.7 | -174.6 | -173.7 | 0 | 0 | 0 | 0 | 111.5 | N236 H241 I242 A284 | N236-V239 HydrophobicContact CB-CB 4.39Å; N236-V239 PolarHBondContact O-N 3.23Å; N236-V239 PolarHBondContact OD1-N 3.01Å; V239-H241 WeakPolarHBondContact CG1-CE1 3.5Å; V239-H241 VanDerWaalsContact CG1-NE2 3.3Å; V239-H241 WeakPolarHBondContact CG1-NE2 3.36Å; V239-H241 PolarHBondContact O-N 3.39Å; V239-I242 HydrophobicContact CB-CB 4.4Å; V239-I242 HydrophobicContact CB-CD1 4.04Å; V239-I242 HydrophobicContact CB-CG1 4.23Å; V239-I242 HydrophobicContact CG1-CB 4.38Å; V239-I242 HydrophobicContact CG1-CD1 3.7Å; V239-I242 HydrophobicContact CG1-CG1 3.76Å; V239-I242 HydrophobicContact CG2-CD1 4.43Å; V239-I242 PolarHBondContact O-N 2.8Å; V239-I242 VanDerWaalsContact O-N 3.07Å; V239-A284 HydrophobicContact CG2-CB 3.73Å | ||
| 240 | Q | 91.7 | Very high | 90.7 | Very high | 91 Ų | 91 | 27 Ų | 27 | 43% | 0.425 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -14.4 | -171.6 | 75.8 | -179.2 | 48.5 | 0 | 0 | 118.3 | N190 F192 | N190-Q240 PolarHBondContact ND2-O 3Å; F192-Q240 HydrophobicContact CB-CB 3.61Å; F192-Q240 HydrophobicContact CD1-CB 4.44Å; F192-Q240 HydrophobicContact CD2-CB 3.64Å; F192-Q240 HydrophobicContact CE2-CB 4.43Å; F192-Q240 HydrophobicContact CG-CB 3.64Å |
| 241 | H | 90.7 | Very high | 90.8 | Very high | 34 Ų | 34 | 26.6 Ų | 26.6 | 16% | 0.157 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | 7.8 | -172.8 | 58.3 | -99.6 | 0 | 0 | 0 | 112.6 | V239 D255 L256 R257 | V239-H241 WeakPolarHBondContact CG1-CE1 3.5Å; V239-H241 VanDerWaalsContact CG1-NE2 3.3Å; V239-H241 WeakPolarHBondContact CG1-NE2 3.36Å; V239-H241 PolarHBondContact O-N 3.39Å; H241-D255 IonicContact CD2-OD1 3.68Å; H241-D255 PolarHBondContact CD2-OD1 3.05Å; H241-D255 IonicContact NE2-OD1 2.67Å; H241-D255 CarbonylContact O-C 3.51Å; H241-D255 WeakPolarHBondContact O-CA 3.35Å; H241-L256 HydrophobicContact CB-CB 4.5Å; H241-L256 PolarHBondContact O-N 3.37Å; H241-R257 HydrophobicContact CB-CG 4.22Å; H241-R257 PolarHBondContact CD2-NE 3.16Å; H241-R257 VanDerWaalsContact CD2-NE 3.26Å; H241-R257 VanDerWaalsContact CE1-CZ 3.48Å; H241-R257 PolarHBondContact CE1-NH1 3.02Å; H241-R257 PolarHBondContact NE2-NE 3.43Å; H241-R257 PolarHBondContact NE2-NH1 3.24Å; H241-R257 PolarHBondContact NE2-NH2 2.89Å; H241-R257 VanDerWaalsContact NE2-NH2 3.11Å |
| 242 | I | 93.6 | Very high | 91.1 | Very high | 36 Ų | 36 | 24.6 Ų | 24.6 | 19% | 0.185 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 129.2 | 175.7 | -64.1 | 179.6 | 0 | 0 | 0 | 109.2 | N236 V239 I253 W254 W279 | N236-I242 HydrophobicContact CB-CB 3.73Å; N236-I242 HydrophobicContact CB-CG2 3.91Å; N236-I242 WeakPolarHBondContact CB-O 3.42Å; N236-I242 PolarHBondContact N-O 2.89Å; V239-I242 HydrophobicContact CB-CB 4.4Å; V239-I242 HydrophobicContact CB-CD1 4.04Å; V239-I242 HydrophobicContact CB-CG1 4.23Å; V239-I242 HydrophobicContact CG1-CB 4.38Å; V239-I242 HydrophobicContact CG1-CD1 3.7Å; V239-I242 HydrophobicContact CG1-CG1 3.76Å; V239-I242 HydrophobicContact CG2-CD1 4.43Å; V239-I242 PolarHBondContact O-N 2.8Å; V239-I242 VanDerWaalsContact O-N 3.07Å; I242-I253 HydrophobicContact CG2-CG2 3.77Å; I242-W254 WeakPolarHBondContact CA-O 3.24Å; I242-W279 HydrophobicContact CG2-CH2 3.79Å; I242-W279 HydrophobicContact CG2-CZ2 3.67Å |
| 243 | L | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 144.1 | 177.6 | -167.9 | 75 | 0 | 0 | 0 | 108.6 | A198 I206 V233 W235 T245 W254 | A198-L243 HydrophobicContact CB-CD1 4.19Å; A198-L243 HydrophobicContact CB-CD2 4.42Å; I206-L243 HydrophobicContact CG2-CD2 4.01Å; V233-L243 HydrophobicContact CG2-CD1 3.65Å; V233-L243 HydrophobicContact CG2-CD2 3.92Å; V233-L243 HydrophobicContact CG2-CG 3.88Å; W235-L243 HydrophobicContact CB-CD1 4.43Å; W235-L243 HydrophobicContact CD2-CD1 3.54Å; W235-L243 HydrophobicContact CE3-CD1 4.03Å; W235-L243 HydrophobicContact CG-CD1 3.71Å; W235-L243 HydrophobicContact CZ2-CD1 4.28Å; L243-T245 HydrophobicContact CD2-CG2 4.45Å; L243-W254 HydrophobicContact CB-CB 4.27Å; L243-W254 PolarHBondContact N-O 3.07Å; L243-W254 VanDerWaalsContact N-O 3.09Å; L243-W254 PolarHBondContact O-N 2.73Å |
| 244 | C | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 146.7 | 170.5 | -161.1 | 0 | 0 | 0 | 0 | 109.5 | V233 A234 C251 V252 I253 M277 W279 | V233-C244 WeakPolarHBondContact CA-O 3.48Å; A234-C244 PolarHBondContact N-O 3.12Å; A234-C244 PolarHBondContact O-N 3.04Å; C244-C251 PolarHBondContact SG-SG 3.12Å; C244-V252 CarbonylContact C-O 3.44Å; C244-V252 WeakPolarHBondContact CA-O 3.25Å; C244-I253 HydrophobicContact CB-CD1 4.29Å; C244-I253 WeakPolarHBondContact SG-CD1 3.25Å; C244-M277 HydrophobicContact CB-CE 4.37Å; C244-M277 HydrophobicContact CB-SD 3.54Å; C244-M277 VanDerWaalsContact CB-SD 3.54Å; C244-M277 WeakPolarHBondContact O-CE 3.19Å; C244-M277 PolarHBondContact SG-SD 3.41Å; C244-W279 HydrophobicContact CB-CZ2 3.65Å |
| 245 | T | 94.1 | Very high | 91.2 | Very high | 5 Ų | 5 | 22.8 Ų | 22.8 | 3% | 0.031 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 137.2 | 173.6 | 55.8 | 0 | 0 | 0 | 0 | 111.2 | I206 V230 Q232 V233 L243 V252 W254 | I206-T245 HydrophobicContact CD1-CG2 3.75Å; I206-T245 HydrophobicContact CG1-CG2 4.14Å; I206-T245 HydrophobicContact CG2-CG2 4.46Å; V230-T245 HydrophobicContact CG1-CG2 4.15Å; Q232-T245 VanDerWaalsContact O-CA 3.28Å; Q232-T245 WeakPolarHBondContact O-CA 3.41Å; V233-T245 HydrophobicContact CB-CG2 4.16Å; V233-T245 HydrophobicContact CG2-CG2 3.94Å; L243-T245 HydrophobicContact CD2-CG2 4.45Å; T245-V252 PolarHBondContact N-O 2.95Å; T245-V252 PolarHBondContact O-N 3.2Å; T245-W254 PolarHBondContact OG1-NE1 2.93Å |
| 246 | T | 91.6 | Very high | 91 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 142.3 | 173.7 | 50.9 | 0 | 0 | 0 | 0 | 112.1 | V230 N231 Q232 R250 C251 P274 Q275 M277 | V230-T246 CarbonylContact C-O 3.55Å; V230-T246 WeakPolarHBondContact CA-O 3.33Å; V230-T246 WeakPolarHBondContact CG1-O 3.22Å; N231-T246 PolarHBondContact N-O 3.4Å; Q232-T246 WeakPolarHBondContact CB-OG1 3.31Å; Q232-T246 PolarHBondContact N-OG1 3.5Å; Q232-T246 PolarHBondContact O-N 2.9Å; T246-R250 WeakPolarHBondContact CA-O 3.41Å; T246-C251 HydrophobicContact CG2-CB 4.17Å; T246-P274 WeakPolarHBondContact CB-O 3.26Å; T246-P274 VanDerWaalsContact CG2-O 3.27Å; T246-P274 WeakPolarHBondContact CG2-O 3.33Å; T246-Q275 VanDerWaalsContact CB-O 3.23Å; T246-Q275 WeakPolarHBondContact CB-O 3.1Å; T246-Q275 PolarHBondContact OG1-O 3.26Å; T246-M277 HydrophobicContact CG2-CB 3.96Å; T246-M277 HydrophobicContact CG2-CE 4.43Å; T246-M277 HydrophobicContact CG2-CG 3.72Å; T246-M277 HydrophobicContact CG2-SD 3.97Å |
| 247 | S | 89.2 | Confident | 90.9 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 8% | 0.077 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 173.1 | 167.8 | 66.5 | 0 | 0 | 0 | 0 | 109.2 | E228 N229 G249 R250 | E228-S247 WeakPolarHBondContact OE2-CB 3.36Å; E228-S247 PolarHBondContact OE2-OG 3.01Å; N229-S247 WeakPolarHBondContact O-CA 3.08Å; N229-S247 WeakPolarHBondContact O-CB 3.46Å; S247-G249 PolarHBondContact O-N 3.16Å; S247-R250 PolarHBondContact N-O 3.28Å; S247-R250 PolarHBondContact O-N 3.05Å; S247-R250 VanDerWaalsContact O-N 3.09Å; S247-R250 VanDerWaalsContact O-O 3.1Å |
| 248 | I | 84 | Confident | 90.9 | Very high | 79 Ų | 79 | 36.8 Ų | 36.8 | 41% | 0.405 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 98.9 | -175.3 | -60.9 | 174.6 | 0 | 0 | 0 | 110.6 | ||
| 249 | G | 83.9 | Confident | 90.4 | Very high | 8 Ų | 8 | 37.5 Ų | 37.5 | 8% | 0.082 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | 3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | S247 K267 | S247-G249 PolarHBondContact O-N 3.16Å; G249-K267 PolarHBondContact O-N 3.28Å |
| 250 | R | 89.8 | Confident | 90 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 7% | 0.072 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 140.4 | -179.4 | -66.2 | -177.8 | -90.4 | 161.4 | -21.2 | 114.2 | P226 E228 T246 S247 L265 T266 | P226-R250 PolarHBondContact O-NH1 2.73Å; P226-R250 PolarHBondContact O-NH2 3.31Å; E228-R250 VanDerWaalsContact CD-CZ 3.41Å; E228-R250 VanDerWaalsContact CD-NE 3.33Å; E228-R250 IonicContact OE1-CZ 3.93Å; E228-R250 VanDerWaalsContact OE1-CZ 3.24Å; E228-R250 IonicContact OE1-NE 3.53Å; E228-R250 PolarHBondContact OE1-NE 3.43Å; E228-R250 IonicContact OE1-NH2 2.67Å; E228-R250 PolarHBondContact OE1-NH2 3.34Å; E228-R250 IonicContact OE2-CZ 2.67Å; E228-R250 VanDerWaalsContact OE2-CZ 3.25Å; E228-R250 IonicContact OE2-NE 2.96Å; E228-R250 PolarHBondContact OE2-NE 3.18Å; E228-R250 IonicContact OE2-NH2 2.65Å; E228-R250 PolarHBondContact OE2-NH2 2.83Å; T246-R250 WeakPolarHBondContact CA-O 3.41Å; S247-R250 PolarHBondContact N-O 3.28Å; S247-R250 PolarHBondContact O-N 3.05Å; S247-R250 VanDerWaalsContact O-N 3.09Å; S247-R250 VanDerWaalsContact O-O 3.1Å; R250-L265 WeakPolarHBondContact CA-O 3.37Å; R250-T266 HydrophobicContact CG-CG2 4.26Å |
| 251 | C | 92.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 122.8 | 171.4 | 173.6 | 0 | 0 | 0 | 0 | 109.2 | C244 T246 Q264 L265 P274 I289 | C244-C251 PolarHBondContact SG-SG 3.12Å; T246-C251 HydrophobicContact CG2-CB 4.17Å; C251-Q264 WeakPolarHBondContact O-CA 3.28Å; C251-L265 HydrophobicContact CB-CB 4.25Å; C251-L265 PolarHBondContact N-O 3.12Å; C251-L265 PolarHBondContact O-N 2.95Å; C251-P274 HydrophobicContact CB-CB 3.93Å; C251-P274 HydrophobicContact CB-CG 4.03Å; C251-I289 HydrophobicContact CB-CD1 4.38Å |
| 252 | V | 93.1 | Very high | 89.9 | Confident | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.03 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 130.7 | -169.8 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | I224 C244 T245 W254 P261 Q264 | I224-V252 HydrophobicContact CD1-CB 4.45Å; I224-V252 HydrophobicContact CD1-CG1 3.67Å; I224-V252 HydrophobicContact CD1-CG2 3.99Å; C244-V252 CarbonylContact C-O 3.44Å; C244-V252 WeakPolarHBondContact CA-O 3.25Å; T245-V252 PolarHBondContact N-O 2.95Å; T245-V252 PolarHBondContact O-N 3.2Å; V252-W254 HydrophobicContact CG1-CD2 4.2Å; V252-W254 HydrophobicContact CG1-CZ2 3.9Å; V252-P261 HydrophobicContact CG1-CB 3.61Å; V252-Q264 HydrophobicContact CG2-CG 4.26Å |
| 253 | I | 94.2 | Very high | 89.7 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 5% | 0.051 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.6 | 175.1 | -41.4 | -58.3 | 0 | 0 | 0 | 109.3 | I242 C244 V262 L263 W279 L287 L304 | I242-I253 HydrophobicContact CG2-CG2 3.77Å; C244-I253 HydrophobicContact CB-CD1 4.29Å; C244-I253 WeakPolarHBondContact SG-CD1 3.25Å; I253-V262 PolarHBondContact O-N 3.41Å; I253-L263 HydrophobicContact CB-CB 4.09Å; I253-L263 HydrophobicContact CG1-CB 3.91Å; I253-L263 HydrophobicContact CG1-CD2 4.17Å; I253-L263 HydrophobicContact CG1-CG 4.23Å; I253-L263 PolarHBondContact N-O 3.21Å; I253-L263 PolarHBondContact O-N 2.8Å; I253-W279 HydrophobicContact CD1-CH2 4.3Å; I253-W279 HydrophobicContact CD1-CZ2 4.47Å; I253-W279 HydrophobicContact CG2-CH2 4.34Å; I253-L287 HydrophobicContact CD1-CD2 4.04Å; I253-L304 HydrophobicContact CD1-CD1 3.87Å; I253-L304 HydrophobicContact CG1-CD1 4.04Å |
| 254 | W | 93 | Very high | 89.6 | Confident | 11 Ų | 11 | 40 Ų | 40 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 147.5 | 176.6 | -49.5 | 83.8 | 0 | 0 | 0 | 110.4 | I206 P220 I224 I242 L243 T245 V252 P261 | I206-W254 HydrophobicContact CD1-CH2 4.42Å; I206-W254 HydrophobicContact CD1-CZ2 3.56Å; P220-W254 HydrophobicContact CB-CB 4.36Å; P220-W254 HydrophobicContact CB-CD2 4Å; P220-W254 HydrophobicContact CB-CE3 3.8Å; P220-W254 HydrophobicContact CB-CG 4.26Å; P220-W254 HydrophobicContact CB-CZ3 4.39Å; P220-W254 HydrophobicContact CG-CD2 4.08Å; P220-W254 HydrophobicContact CG-CE3 4Å; P220-W254 HydrophobicContact CG-CZ3 4.23Å; I224-W254 HydrophobicContact CD1-CH2 3.63Å; I224-W254 HydrophobicContact CD1-CZ2 3.73Å; I224-W254 HydrophobicContact CD1-CZ3 4.47Å; I224-W254 HydrophobicContact CG1-CH2 3.96Å; I224-W254 HydrophobicContact CG1-CZ2 4.45Å; I242-W254 WeakPolarHBondContact CA-O 3.24Å; L243-W254 HydrophobicContact CB-CB 4.27Å; L243-W254 PolarHBondContact N-O 3.07Å; L243-W254 VanDerWaalsContact N-O 3.09Å; L243-W254 PolarHBondContact O-N 2.73Å; T245-W254 PolarHBondContact OG1-NE1 2.93Å; V252-W254 HydrophobicContact CG1-CD2 4.2Å; V252-W254 HydrophobicContact CG1-CZ2 3.9Å; W254-P261 HydrophobicContact CE3-CB 4.23Å; W254-P261 HydrophobicContact CZ3-CB 4.34Å; W254-P261 HydrophobicContact CZ3-CG 4.48Å |
| 255 | D | 92.1 | Very high | 89.4 | Confident | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 105.9 | 171.2 | 171.9 | -5.7 | 0 | 0 | 0 | 106.6 | H241 R257 K258 V262 | H241-D255 IonicContact CD2-OD1 3.68Å; H241-D255 PolarHBondContact CD2-OD1 3.05Å; H241-D255 IonicContact NE2-OD1 2.67Å; H241-D255 CarbonylContact O-C 3.51Å; H241-D255 WeakPolarHBondContact O-CA 3.35Å; D255-R257 PolarHBondContact O-N 2.95Å; D255-R257 WeakPolarHBondContact OD1-CB 3.33Å; D255-R257 IonicContact OD1-CZ 2.9Å; D255-R257 PolarHBondContact OD1-N 3.33Å; D255-R257 IonicContact OD1-NE 3.13Å; D255-R257 PolarHBondContact OD1-NE 3.34Å; D255-R257 IonicContact OD1-NH2 3.88Å; D255-R257 PolarHBondContact OD1-NH2 2.82Å; D255-R257 IonicContact OD2-CZ 3.25Å; D255-R257 IonicContact OD2-NE 3.24Å; D255-R257 IonicContact OD2-NH2 3.66Å; D255-R257 PolarHBondContact OD2-NH2 3.21Å; D255-K258 HydrophobicContact CB-CD 4.14Å; D255-K258 WeakPolarHBondContact O-CA 3.38Å; D255-K258 WeakPolarHBondContact O-CB 3.48Å; D255-K258 PolarHBondContact O-N 3.2Å; D255-K258 VanDerWaalsContact OD2-CE 3.28Å; D255-K258 WeakPolarHBondContact OD2-CE 3.41Å; D255-K258 IonicContact OD2-NZ 3.91Å; D255-K258 PolarHBondContact OD2-NZ 3.05Å; D255-V262 HydrophobicContact CB-CG2 3.44Å; D255-V262 VanDerWaalsContact CB-CG2 3.44Å |
| 256 | L | 90 | Very high | 89.1 | Confident | 45 Ų | 45 | 41 Ų | 41 | 24% | 0.236 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -4.5 | -167.9 | -54.9 | -178 | 0 | 0 | 0 | 114.5 | I208 P220 W235 H241 K258 | I208-L256 HydrophobicContact CD1-CD1 3.76Å; I208-L256 HydrophobicContact CD1-CD2 3.45Å; I208-L256 VanDerWaalsContact CD1-CD2 3.45Å; I208-L256 HydrophobicContact CD1-CG 4.25Å; P220-L256 HydrophobicContact CB-CD2 3.64Å; W235-L256 HydrophobicContact CH2-CD1 3.45Å; W235-L256 VanDerWaalsContact CH2-CD1 3.45Å; W235-L256 HydrophobicContact CZ3-CD1 3.51Å; H241-L256 HydrophobicContact CB-CB 4.5Å; H241-L256 PolarHBondContact O-N 3.37Å; L256-K258 VanDerWaalsContact C-N 3.31Å |
| 257 | R | 90 | Very high | 88.8 | Confident | 168 Ų | 168 | 46.1 Ų | 46.1 | 63% | 0.634 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -6.7 | 170.9 | -51.2 | 168.2 | -59.7 | 173.5 | 4.3 | 112.2 | H241 D255 | H241-R257 HydrophobicContact CB-CG 4.22Å; H241-R257 PolarHBondContact CD2-NE 3.16Å; H241-R257 VanDerWaalsContact CD2-NE 3.26Å; H241-R257 VanDerWaalsContact CE1-CZ 3.48Å; H241-R257 PolarHBondContact CE1-NH1 3.02Å; H241-R257 PolarHBondContact NE2-NE 3.43Å; H241-R257 PolarHBondContact NE2-NH1 3.24Å; H241-R257 PolarHBondContact NE2-NH2 2.89Å; H241-R257 VanDerWaalsContact NE2-NH2 3.11Å; D255-R257 PolarHBondContact O-N 2.95Å; D255-R257 WeakPolarHBondContact OD1-CB 3.33Å; D255-R257 IonicContact OD1-CZ 2.9Å; D255-R257 PolarHBondContact OD1-N 3.33Å; D255-R257 IonicContact OD1-NE 3.13Å; D255-R257 PolarHBondContact OD1-NE 3.34Å; D255-R257 IonicContact OD1-NH2 3.88Å; D255-R257 PolarHBondContact OD1-NH2 2.82Å; D255-R257 IonicContact OD2-CZ 3.25Å; D255-R257 IonicContact OD2-NE 3.24Å; D255-R257 IonicContact OD2-NH2 3.66Å; D255-R257 PolarHBondContact OD2-NH2 3.21Å |
| 258 | K | 85.8 | Confident | 88.5 | Confident | 106 Ų | 106 | 51.7 Ų | 51.7 | 46% | 0.461 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -120.3 | 139.5 | 176.7 | -60.7 | 171.1 | -175.8 | 139.1 | 0 | 107.7 | D255 L256 G260 V262 | D255-K258 HydrophobicContact CB-CD 4.14Å; D255-K258 WeakPolarHBondContact O-CA 3.38Å; D255-K258 WeakPolarHBondContact O-CB 3.48Å; D255-K258 PolarHBondContact O-N 3.2Å; D255-K258 VanDerWaalsContact OD2-CE 3.28Å; D255-K258 WeakPolarHBondContact OD2-CE 3.41Å; D255-K258 IonicContact OD2-NZ 3.91Å; D255-K258 PolarHBondContact OD2-NZ 3.05Å; L256-K258 VanDerWaalsContact C-N 3.31Å; K258-G260 PolarHBondContact O-N 3.22Å; K258-V262 HydrophobicContact CD-CG2 3.67Å |
| 259 | S | 79.3 | Confident | 88.6 | Confident | 119 Ų | 119 | 52.3 Ų | 52.3 | 83% | 0.832 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -81.1 | 53.3 | -177.4 | 60.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 260 | G | 83.6 | Confident | 88.5 | Confident | 14 Ų | 14 | 52 Ų | 52 | 14% | 0.144 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 160.6 | 176.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | P220 K258 | P220-G260 PolarHBondContact O-N 2.95Å; K258-G260 PolarHBondContact O-N 3.22Å |
| 261 | P | 89.1 | Confident | 88.1 | Confident | 58 Ų | 58 | 59.6 Ų | 59.6 | 38% | 0.377 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 147.9 | -178.3 | 30.8 | -37.2 | 0 | 0 | 0 | 112.1 | I224 V252 W254 | I224-P261 HydrophobicContact CD1-CB 4.04Å; I224-P261 HydrophobicContact CD1-CG 3.82Å; I224-P261 HydrophobicContact CG1-CG 4.32Å; V252-P261 HydrophobicContact CG1-CB 3.61Å; W254-P261 HydrophobicContact CE3-CB 4.23Å; W254-P261 HydrophobicContact CZ3-CB 4.34Å; W254-P261 HydrophobicContact CZ3-CG 4.48Å |
| 262 | V | 89.9 | Confident | 87.7 | Confident | 76 Ų | 76 | 59.8 Ų | 59.8 | 46% | 0.461 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -35.5 | 179.5 | 175.9 | 0 | 0 | 0 | 0 | 112.4 | I253 D255 K258 | I253-V262 PolarHBondContact O-N 3.41Å; D255-V262 HydrophobicContact CB-CG2 3.44Å; D255-V262 VanDerWaalsContact CB-CG2 3.44Å; K258-V262 HydrophobicContact CD-CG2 3.67Å |
| 263 | L | 90.7 | Very high | 87.4 | Confident | 37 Ų | 37 | 61.8 Ų | 61.8 | 19% | 0.194 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 143.7 | -179.6 | 175.6 | 63.5 | 0 | 0 | 0 | 109.2 | I253 L265 L304 P307 | I253-L263 HydrophobicContact CB-CB 4.09Å; I253-L263 HydrophobicContact CG1-CB 3.91Å; I253-L263 HydrophobicContact CG1-CD2 4.17Å; I253-L263 HydrophobicContact CG1-CG 4.23Å; I253-L263 PolarHBondContact N-O 3.21Å; I253-L263 PolarHBondContact O-N 2.8Å; L263-L265 HydrophobicContact CD2-CD2 4.46Å; L263-L304 HydrophobicContact CD2-CB 4.14Å; L263-L304 HydrophobicContact CD2-CD2 3.85Å; L263-L304 HydrophobicContact CD2-CG 4.45Å; L263-P307 HydrophobicContact CD1-CB 3.71Å; L263-P307 HydrophobicContact CD1-CG 4.02Å; L263-P307 HydrophobicContact CD2-CB 3.7Å; L263-P307 HydrophobicContact CD2-CG 4.31Å; L263-P307 HydrophobicContact CG-CB 4.35Å |
| 264 | Q | 90.3 | Very high | 87 | Confident | 62 Ų | 62 | 61.3 Ų | 61.3 | 29% | 0.29 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 107 | -179.9 | 179.6 | 177 | -24.3 | 0 | 0 | 108.4 | C251 V252 T266 | C251-Q264 WeakPolarHBondContact O-CA 3.28Å; V252-Q264 HydrophobicContact CG2-CG 4.26Å; Q264-T266 HydrophobicContact CG-CG2 3.93Å |
| 265 | L | 90 | Very high | 86.7 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 119.8 | 173.6 | -62.4 | 174.6 | 0 | 0 | 0 | 107.6 | R250 C251 L263 M269 L287 I289 W302 L304 P307 | R250-L265 WeakPolarHBondContact CA-O 3.37Å; C251-L265 HydrophobicContact CB-CB 4.25Å; C251-L265 PolarHBondContact N-O 3.12Å; C251-L265 PolarHBondContact O-N 2.95Å; L263-L265 HydrophobicContact CD2-CD2 4.46Å; L265-M269 HydrophobicContact CD2-SD 4.31Å; L265-L287 HydrophobicContact CD1-CD2 4.48Å; L265-I289 HydrophobicContact CD1-CD1 3.58Å; L265-W302 HydrophobicContact CD1-CD2 4.39Å; L265-W302 HydrophobicContact CD1-CE3 4.39Å; L265-W302 HydrophobicContact CD2-CE3 4.03Å; L265-W302 HydrophobicContact CD2-CZ3 4.04Å; L265-L304 HydrophobicContact CD1-CD2 3.93Å; L265-P307 HydrophobicContact CD2-CB 4.23Å |
| 266 | T | 89.1 | Confident | 86.4 | Confident | 25 Ų | 25 | 62.4 Ų | 62.4 | 15% | 0.153 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 160.4 | -172.1 | 50.3 | 0 | 0 | 0 | 0 | 110.7 | R250 Q264 T268 M269 C270 | R250-T266 HydrophobicContact CG-CG2 4.26Å; Q264-T266 HydrophobicContact CG-CG2 3.93Å; T266-T268 PolarHBondContact O-N 2.98Å; T266-T268 PolarHBondContact OG1-OG1 3Å; T266-M269 WeakPolarHBondContact O-CA 3.32Å; T266-M269 PolarHBondContact O-N 3.06Å; T266-C270 PolarHBondContact O-N 3.39Å |
| 267 | K | 84.5 | Confident | 86.5 | Confident | 108 Ų | 108 | 60.3 Ų | 60.3 | 47% | 0.47 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -47 | -33.7 | 171.5 | -169.7 | 176.2 | -167.5 | 170.4 | 0 | 113.9 | G249 Q271 L272 E273 | G249-K267 PolarHBondContact O-N 3.28Å; K267-Q271 WeakPolarHBondContact O-CA 3.4Å; K267-Q271 PolarHBondContact O-N 2.89Å; K267-L272 WeakPolarHBondContact CA-O 3.45Å; K267-E273 HydrophobicContact CD-CG 3.75Å; K267-E273 WeakPolarHBondContact CE-OE1 3.48Å; K267-E273 HydrophobicContact CG-CG 4.26Å; K267-E273 IonicContact NZ-OE1 2.65Å; K267-E273 PolarHBondContact NZ-OE1 2.97Å |
| 268 | T | 84.3 | Confident | 86.5 | Confident | 129 Ų | 129 | 53.2 Ų | 53.2 | 79% | 0.791 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -74.2 | -19.6 | 176.7 | 50.8 | 0 | 0 | 0 | 0 | 114.6 | T266 | T266-T268 PolarHBondContact O-N 2.98Å; T266-T268 PolarHBondContact OG1-OG1 3Å |
| 269 | M | 84.7 | Confident | 86.7 | Confident | 92 Ų | 92 | 49 Ų | 49 | 45% | 0.453 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -91.3 | -42.8 | 171.6 | -62.1 | 176.7 | -171.8 | 0 | 0 | 111.5 | L265 T266 | L265-M269 HydrophobicContact CD2-SD 4.31Å; T266-M269 WeakPolarHBondContact O-CA 3.32Å; T266-M269 PolarHBondContact O-N 3.06Å |
| 270 | C | 83.2 | Confident | 87.2 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -87.9 | -19.3 | -173.1 | -57.7 | 0 | 0 | 0 | 0 | 114.4 | T266 L272 Q300 W302 | T266-C270 PolarHBondContact O-N 3.39Å; C270-L272 HydrophobicContact CB-CD1 3.82Å; C270-L272 HydrophobicContact CB-CG 4.13Å; C270-L272 PolarHBondContact O-N 3.35Å; C270-L272 VanDerWaalsContact O-N 3.08Å; C270-Q300 PolarHBondContact O-NE2 2.85Å; C270-Q300 PolarHBondContact O-OE1 3.25Å; C270-W302 HydrophobicContact CB-CZ2 4.08Å; C270-W302 VanDerWaalsContact SG-CZ2 3.58Å |
| 271 | Q | 81.3 | Confident | 87 | Confident | 177 Ų | 177 | 42.9 Ų | 42.9 | 83% | 0.827 | 22% | 0.224 | S | C | * | . | S | Bend | trans | 62.3 | 5.5 | -173.1 | -50.2 | -178.2 | 0.3 | 0 | 0 | 114.9 | K267 | K267-Q271 WeakPolarHBondContact O-CA 3.4Å; K267-Q271 PolarHBondContact O-N 2.89Å |
| 272 | L | 84.5 | Confident | 86.5 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -131.9 | 172.8 | 171.9 | 57.6 | 64.6 | 0 | 0 | 0 | 110.1 | K267 C270 P274 I289 D291 I298 Q300 | K267-L272 WeakPolarHBondContact CA-O 3.45Å; C270-L272 HydrophobicContact CB-CD1 3.82Å; C270-L272 HydrophobicContact CB-CG 4.13Å; C270-L272 PolarHBondContact O-N 3.35Å; C270-L272 VanDerWaalsContact O-N 3.08Å; L272-P274 HydrophobicContact CD1-CB 4.03Å; L272-P274 VanDerWaalsContact O-CD 3.25Å; L272-P274 WeakPolarHBondContact O-CD 3.32Å; L272-I289 HydrophobicContact CD1-CG2 3.94Å; L272-D291 HydrophobicContact CB-CB 3.98Å; L272-D291 HydrophobicContact CD1-CB 4.35Å; L272-D291 HydrophobicContact CD2-CB 4.3Å; L272-D291 HydrophobicContact CG-CB 4.43Å; L272-I298 HydrophobicContact CD2-CB 4.32Å; L272-I298 HydrophobicContact CD2-CG2 3.74Å; L272-Q300 HydrophobicContact CD2-CG 3.81Å |
| 273 | E | 85.3 | Confident | 86.2 | Confident | 47 Ų | 47 | 40.3 Ų | 40.3 | 22% | 0.22 | 21% | 0.206 | C | C | . | . | trans | -93.3 | 105.5 | 170.6 | -66.9 | -168.7 | -177.8 | 0 | 0 | 111.3 | K267 Q275 D291 | K267-E273 HydrophobicContact CD-CG 3.75Å; K267-E273 WeakPolarHBondContact CE-OE1 3.48Å; K267-E273 HydrophobicContact CG-CG 4.26Å; K267-E273 IonicContact NZ-OE1 2.65Å; K267-E273 PolarHBondContact NZ-OE1 2.97Å; E273-Q275 VanDerWaalsContact C-N 3.33Å; E273-Q275 HydrophobicContact CB-CG 4.29Å; E273-Q275 PolarHBondContact O-N 2.97Å; E273-Q275 PolarHBondContact OE2-NE2 3.27Å; E273-D291 PolarHBondContact N-OD2 2.94Å; E273-D291 WeakPolarHBondContact O-CA 3.36Å; E273-D291 WeakPolarHBondContact O-CB 3.46Å | ||
| 274 | P | 87.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -75.3 | 78.5 | -174.2 | 33.5 | -41.5 | 0 | 0 | 0 | 112.2 | T246 C251 L272 I289 | T246-P274 WeakPolarHBondContact CB-O 3.26Å; T246-P274 VanDerWaalsContact CG2-O 3.27Å; T246-P274 WeakPolarHBondContact CG2-O 3.33Å; C251-P274 HydrophobicContact CB-CB 3.93Å; C251-P274 HydrophobicContact CB-CG 4.03Å; L272-P274 HydrophobicContact CD1-CB 4.03Å; L272-P274 VanDerWaalsContact O-CD 3.25Å; L272-P274 WeakPolarHBondContact O-CD 3.32Å; P274-I289 HydrophobicContact CB-CG2 3.29Å | ||
| 275 | Q | 85 | Confident | 86.1 | Confident | 17 Ų | 17 | 39 Ų | 39 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | trans | -90.3 | -25.6 | -178.4 | -53.4 | -168.1 | 9.5 | 0 | 0 | 113.2 | T246 E273 A290 P292 N293 | T246-Q275 VanDerWaalsContact CB-O 3.23Å; T246-Q275 WeakPolarHBondContact CB-O 3.1Å; T246-Q275 PolarHBondContact OG1-O 3.26Å; E273-Q275 VanDerWaalsContact C-N 3.33Å; E273-Q275 HydrophobicContact CB-CG 4.29Å; E273-Q275 PolarHBondContact O-N 2.97Å; E273-Q275 PolarHBondContact OE2-NE2 3.27Å; Q275-A290 PolarHBondContact N-O 3.25Å; Q275-P292 HydrophobicContact CB-CG 4.14Å; Q275-N293 VanDerWaalsContact CD-ND2 3.32Å; Q275-N293 PolarHBondContact NE2-ND2 3.41Å; Q275-N293 PolarHBondContact OE1-ND2 3.49Å; Q275-N293 VanDerWaalsContact OE1-ND2 3.13Å | ||
| 276 | M | 87.2 | Confident | 86.1 | Confident | 25 Ų | 25 | 40.7 Ų | 40.7 | 12% | 0.123 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 147 | 177.5 | 178 | 170.6 | 56.8 | 0 | 0 | 111.5 | I289 A290 V344 L347 | M276-I289 WeakPolarHBondContact O-CA 3.41Å; M276-A290 HydrophobicContact CB-CB 4.39Å; M276-A290 HydrophobicContact CE-CB 3.8Å; M276-A290 PolarHBondContact N-O 3.38Å; M276-A290 VanDerWaalsContact N-O 3.13Å; M276-A290 PolarHBondContact O-N 3.2Å; M276-V344 HydrophobicContact CE-CB 4.11Å; M276-V344 HydrophobicContact CE-CG1 3.6Å; M276-L347 HydrophobicContact CE-CB 3.71Å; M276-L347 HydrophobicContact CG-CB 4.31Å; M276-L347 HydrophobicContact SD-CB 3.79Å |
| 277 | M | 91.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 157 | -175.3 | 55.8 | 167.1 | 174.5 | 0 | 0 | 113.4 | Q232 A234 C244 T246 L287 C288 | Q232-M277 VanDerWaalsContact C-CE 3.41Å; Q232-M277 HydrophobicContact CB-CE 3.77Å; Q232-M277 HydrophobicContact CG-CE 3.77Å; Q232-M277 HydrophobicContact CG-CG 4.45Å; Q232-M277 PolarHBondContact NE2-O 3.48Å; Q232-M277 WeakPolarHBondContact O-CE 3.39Å; Q232-M277 VanDerWaalsContact OE1-CG 3.22Å; Q232-M277 PolarHBondContact OE1-O 3.48Å; A234-M277 HydrophobicContact CB-CE 3.77Å; A234-M277 HydrophobicContact CB-SD 4.2Å; C244-M277 HydrophobicContact CB-CE 4.37Å; C244-M277 HydrophobicContact CB-SD 3.54Å; C244-M277 VanDerWaalsContact CB-SD 3.54Å; C244-M277 WeakPolarHBondContact O-CE 3.19Å; C244-M277 PolarHBondContact SG-SD 3.41Å; T246-M277 HydrophobicContact CG2-CB 3.96Å; T246-M277 HydrophobicContact CG2-CE 4.43Å; T246-M277 HydrophobicContact CG2-CG 3.72Å; T246-M277 HydrophobicContact CG2-SD 3.97Å; M277-L287 HydrophobicContact CB-CD1 4.41Å; M277-C288 CarbonylContact C-O 3.55Å; M277-C288 VanDerWaalsContact CA-O 3.24Å; M277-C288 WeakPolarHBondContact CA-O 3.43Å |
| 278 | S | 90.5 | Very high | 86.5 | Confident | 20 Ų | 20 | 34.4 Ų | 34.4 | 14% | 0.14 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 127.1 | 165.4 | -171.5 | 0 | 0 | 0 | 0 | 110.7 | C288 W349 | S278-C288 PolarHBondContact N-O 2.84Å; S278-C288 PolarHBondContact O-N 2.95Å; S278-W349 PolarHBondContact OG-N 3.38Å |
| 279 | W | 90.9 | Very high | 86.8 | Confident | 16 Ų | 16 | 28.2 Ų | 28.2 | 6% | 0.061 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 148 | 172.8 | -80.1 | 113.8 | 0 | 0 | 0 | 111.6 | A234 N236 P237 I242 C244 I253 L287 L304 W349 | A234-W279 PolarHBondContact O-NE1 3.02Å; N236-W279 HydrophobicContact CB-CD2 4.35Å; N236-W279 HydrophobicContact CB-CZ2 4.08Å; N236-W279 VanDerWaalsContact ND2-CE3 3.33Å; N236-W279 VanDerWaalsContact ND2-CH2 3.31Å; N236-W279 WeakPolarHBondContact ND2-CH2 3.42Å; N236-W279 WeakPolarHBondContact ND2-CZ3 3.3Å; P237-W279 HydrophobicContact CG-CB 4.26Å; I242-W279 HydrophobicContact CG2-CH2 3.79Å; I242-W279 HydrophobicContact CG2-CZ2 3.67Å; C244-W279 HydrophobicContact CB-CZ2 3.65Å; I253-W279 HydrophobicContact CD1-CH2 4.3Å; I253-W279 HydrophobicContact CD1-CZ2 4.47Å; I253-W279 HydrophobicContact CG2-CH2 4.34Å; W279-L287 HydrophobicContact CD2-CD1 3.87Å; W279-L287 HydrophobicContact CE3-CB 4.4Å; W279-L287 HydrophobicContact CE3-CD1 3.92Å; W279-L287 HydrophobicContact CG-CD1 4.2Å; W279-L287 HydrophobicContact CZ3-CB 4.48Å; W279-L287 HydrophobicContact CZ3-CD1 4.42Å; W279-L304 HydrophobicContact CH2-CD1 3.54Å; W279-L304 HydrophobicContact CZ3-CD1 3.55Å; W279-W349 VanDerWaalsContact C-CE3 3.42Å; W279-W349 VanDerWaalsContact O-CE3 3.3Å |
| 280 | S | 88 | Confident | 86.9 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -66 | 134.9 | 166.4 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | P237 D282 V283 R286 W349 | P237-S280 WeakPolarHBondContact CG-O 3.37Å; S280-D282 PolarHBondContact O-N 3.33Å; S280-D282 PolarHBondContact OG-N 2.8Å; S280-V283 WeakPolarHBondContact CB-O 3.22Å; S280-V283 PolarHBondContact OG-N 2.94Å; S280-V283 VanDerWaalsContact OG-N 3.17Å; S280-R286 VanDerWaalsContact CB-CB 3.45Å; S280-R286 WeakPolarHBondContact CB-O 3.41Å; S280-R286 PolarHBondContact N-O 3.4Å; S280-W349 VanDerWaalsContact CA-CE3 3.48Å | ||
| 281 | P | 80.7 | Confident | 87 | Confident | 5 Ų | 5 | 24.3 Ų | 24.3 | 3% | 0.032 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -65.3 | -21.7 | 175.1 | 30.7 | -39.1 | 0 | 0 | 0 | 112.5 | R238 W349 G350 P352 N366 | R238-P281 PolarHBondContact NE-O 2.85Å; R238-P281 PolarHBondContact NH2-O 3.13Å; P281-W349 HydrophobicContact CG-CG 4.28Å; P281-G350 VanDerWaalsContact CB-O 3.25Å; P281-G350 WeakPolarHBondContact CB-O 3.47Å; P281-G350 VanDerWaalsContact CG-O 3.28Å; P281-G350 WeakPolarHBondContact CG-O 3.48Å; P281-P352 HydrophobicContact CB-CB 3.83Å; P281-P352 VanDerWaalsContact CB-CD 3.41Å; P281-P352 HydrophobicContact CB-CG 3.63Å; P281-N366 WeakPolarHBondContact CG-O 3.42Å |
| 282 | D | 77.7 | Confident | 86.8 | Confident | 40 Ų | 40 | 16.6 Ų | 16.6 | 21% | 0.214 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -119.1 | -46.9 | -165.7 | -94.6 | -88.1 | 0 | 0 | 0 | 115.8 | R238 S280 N366 | R238-D282 VanDerWaalsContact CZ-CA 3.44Å; R238-D282 IonicContact CZ-OD1 2.75Å; R238-D282 VanDerWaalsContact CZ-OD1 3.22Å; R238-D282 PolarHBondContact NH1-O 3.2Å; R238-D282 IonicContact NH1-OD1 3.16Å; R238-D282 PolarHBondContact NH1-OD1 2.76Å; R238-D282 IonicContact NH2-OD1 2.77Å; R238-D282 PolarHBondContact NH2-OD1 3.45Å; R238-D282 IonicContact NH2-OD2 3.46Å; R238-D282 PolarHBondContact NH2-OD2 2.95Å; R238-D282 VanDerWaalsContact NH2-OD2 3.12Å; S280-D282 PolarHBondContact O-N 3.33Å; S280-D282 PolarHBondContact OG-N 2.8Å; D282-N366 HydrophobicContact CB-CB 4.36Å; D282-N366 PolarHBondContact OD1-ND2 3.47Å; D282-N366 WeakPolarHBondContact OD2-CB 3.35Å; D282-N366 PolarHBondContact OD2-ND2 3.32Å |
| 283 | V | 85.1 | Confident | 86.4 | Confident | 41 Ų | 41 | 20.6 Ų | 20.6 | 25% | 0.248 | 11% | 0.114 | C | C | . | . | trans | -99.4 | 107.4 | -178.8 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | S280 T285 R286 | S280-V283 WeakPolarHBondContact CB-O 3.22Å; S280-V283 PolarHBondContact OG-N 2.94Å; S280-V283 VanDerWaalsContact OG-N 3.17Å; V283-T285 PolarHBondContact O-N 3.48Å; V283-R286 HydrophobicContact CB-CB 4Å; V283-R286 HydrophobicContact CB-CG 3.85Å; V283-R286 HydrophobicContact CG1-CB 4.28Å; V283-R286 HydrophobicContact CG1-CG 3.87Å; V283-R286 HydrophobicContact CG2-CG 4.47Å; V283-R286 PolarHBondContact O-N 3.48Å | ||
| 284 | A | 88.4 | Confident | 86 | Confident | 32 Ų | 32 | 19.5 Ų | 19.5 | 26% | 0.264 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -16.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | N236 R238 V239 | N236-A284 PolarHBondContact ND2-O 2.67Å; R238-A284 HydrophobicContact CB-CB 3.76Å; V239-A284 HydrophobicContact CG2-CB 3.73Å |
| 285 | T | 90 | Very high | 84.9 | Confident | 38 Ų | 38 | 22.8 Ų | 22.8 | 23% | 0.233 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -0.9 | 178.9 | 67.6 | 0 | 0 | 0 | 0 | 114.2 | V283 D303 L304 R305 | V283-T285 PolarHBondContact O-N 3.48Å; T285-D303 VanDerWaalsContact CB-OD1 3.28Å; T285-D303 WeakPolarHBondContact CB-OD1 3.2Å; T285-D303 CarbonylContact O-C 3.55Å; T285-D303 WeakPolarHBondContact O-CA 3.17Å; T285-D303 PolarHBondContact OG1-OD1 3.49Å; T285-L304 WeakPolarHBondContact O-CG 3.32Å; T285-L304 PolarHBondContact O-N 3.13Å; T285-R305 HydrophobicContact CG2-CG 3.83Å; T285-R305 PolarHBondContact OG1-NE 2.91Å |
| 286 | R | 89.9 | Confident | 84.1 | Confident | 37 Ų | 37 | 24.7 Ų | 24.7 | 14% | 0.14 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 133.3 | 173 | -81.3 | -176.9 | -177.4 | 160.6 | -3 | 110.3 | S280 V283 W302 W349 D367 | S280-R286 VanDerWaalsContact CB-CB 3.45Å; S280-R286 WeakPolarHBondContact CB-O 3.41Å; S280-R286 PolarHBondContact N-O 3.4Å; V283-R286 HydrophobicContact CB-CB 4Å; V283-R286 HydrophobicContact CB-CG 3.85Å; V283-R286 HydrophobicContact CG1-CB 4.28Å; V283-R286 HydrophobicContact CG1-CG 3.87Å; V283-R286 HydrophobicContact CG2-CG 4.47Å; V283-R286 PolarHBondContact O-N 3.48Å; R286-W302 WeakPolarHBondContact CA-O 3.49Å; R286-W349 HydrophobicContact CB-CH2 3.91Å; R286-D367 IonicContact CZ-OD1 2.77Å; R286-D367 IonicContact CZ-OD2 3.27Å; R286-D367 IonicContact NH1-OD1 3.68Å; R286-D367 PolarHBondContact NH1-OD1 3.36Å; R286-D367 IonicContact NH1-OD2 2.78Å; R286-D367 PolarHBondContact NH1-OD2 3.06Å |
| 287 | L | 91.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 135.1 | -179.9 | -177.2 | 69.7 | 0 | 0 | 0 | 109 | I253 L265 M277 W279 I289 W302 L304 | I253-L287 HydrophobicContact CD1-CD2 4.04Å; L265-L287 HydrophobicContact CD1-CD2 4.48Å; M277-L287 HydrophobicContact CB-CD1 4.41Å; W279-L287 HydrophobicContact CD2-CD1 3.87Å; W279-L287 HydrophobicContact CE3-CB 4.4Å; W279-L287 HydrophobicContact CE3-CD1 3.92Å; W279-L287 HydrophobicContact CG-CD1 4.2Å; W279-L287 HydrophobicContact CZ3-CB 4.48Å; W279-L287 HydrophobicContact CZ3-CD1 4.42Å; L287-I289 HydrophobicContact CD2-CD1 4.08Å; L287-I289 HydrophobicContact CD2-CG1 4.18Å; L287-I289 HydrophobicContact CG-CG1 4.17Å; L287-W302 PolarHBondContact N-O 3.14Å; L287-W302 PolarHBondContact O-N 2.87Å; L287-L304 HydrophobicContact CB-CD2 4.35Å; L287-L304 HydrophobicContact CB-CG 4.48Å; L287-L304 HydrophobicContact CD2-CD2 4.18Å |
| 288 | C | 90.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 144.2 | 170.7 | -79.9 | 0 | 0 | 0 | 0 | 110.2 | M277 S278 Q300 L301 L347 W349 I369 | M277-C288 CarbonylContact C-O 3.55Å; M277-C288 VanDerWaalsContact CA-O 3.24Å; M277-C288 WeakPolarHBondContact CA-O 3.43Å; S278-C288 PolarHBondContact N-O 2.84Å; S278-C288 PolarHBondContact O-N 2.95Å; C288-Q300 WeakPolarHBondContact CA-O 3.33Å; C288-L301 VanDerWaalsContact SG-CD1 3.52Å; C288-L347 HydrophobicContact CB-CD2 4.09Å; C288-W349 HydrophobicContact CB-CE3 4.16Å; C288-W349 HydrophobicContact CB-CZ3 3.83Å; C288-W349 WeakPolarHBondContact SG-CZ3 3.46Å; C288-I369 WeakPolarHBondContact SG-CD1 3.11Å |
| 289 | I | 90.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 136.9 | -170.4 | -64.4 | -176 | 0 | 0 | 0 | 108.5 | C251 L265 L272 P274 M276 L287 V299 Q300 W302 | C251-I289 HydrophobicContact CB-CD1 4.38Å; L265-I289 HydrophobicContact CD1-CD1 3.58Å; L272-I289 HydrophobicContact CD1-CG2 3.94Å; P274-I289 HydrophobicContact CB-CG2 3.29Å; M276-I289 WeakPolarHBondContact O-CA 3.41Å; L287-I289 HydrophobicContact CD2-CD1 4.08Å; L287-I289 HydrophobicContact CD2-CG1 4.18Å; L287-I289 HydrophobicContact CG-CG1 4.17Å; I289-V299 WeakPolarHBondContact O-CA 3.35Å; I289-Q300 PolarHBondContact N-O 3.47Å; I289-Q300 PolarHBondContact O-N 2.78Å; I289-W302 HydrophobicContact CD1-CG 4.23Å |
| 290 | A | 87.7 | Confident | 82.2 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 154.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q275 M276 V299 L347 | Q275-A290 PolarHBondContact N-O 3.25Å; M276-A290 HydrophobicContact CB-CB 4.39Å; M276-A290 HydrophobicContact CE-CB 3.8Å; M276-A290 PolarHBondContact N-O 3.38Å; M276-A290 VanDerWaalsContact N-O 3.13Å; M276-A290 PolarHBondContact O-N 3.2Å; A290-V299 HydrophobicContact CB-CG2 3.96Å; A290-L347 HydrophobicContact CB-CD2 4.44Å |
| 291 | D | 84.7 | Confident | 82.3 | Confident | 12 Ų | 12 | 23.8 Ų | 23.8 | 6% | 0.064 | 14% | 0.136 | C | C | . | . | trans | -116.2 | 108.2 | 172.4 | -177.3 | -10.6 | 0 | 0 | 0 | 108.4 | L272 E273 N293 N294 | L272-D291 HydrophobicContact CB-CB 3.98Å; L272-D291 HydrophobicContact CD1-CB 4.35Å; L272-D291 HydrophobicContact CD2-CB 4.3Å; L272-D291 HydrophobicContact CG-CB 4.43Å; E273-D291 PolarHBondContact N-OD2 2.94Å; E273-D291 WeakPolarHBondContact O-CA 3.36Å; E273-D291 WeakPolarHBondContact O-CB 3.46Å; D291-N293 PolarHBondContact O-N 3.42Å; D291-N293 PolarHBondContact OD1-N 3.27Å; D291-N293 VanDerWaalsContact OD1-N 3.08Å; D291-N294 HydrophobicContact CB-CB 3.72Å; D291-N294 WeakPolarHBondContact O-CB 3.49Å; D291-N294 PolarHBondContact O-N 2.95Å; D291-N294 PolarHBondContact OD1-N 3.38Å | ||
| 292 | P | 77.5 | Confident | 82.7 | Confident | 15 Ų | 15 | 23.7 Ų | 23.7 | 10% | 0.097 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -22.7 | -176.6 | 29.8 | -34.6 | 0 | 0 | 0 | 112.1 | Q275 T343 V344 I447 | Q275-P292 HydrophobicContact CB-CG 4.14Å; P292-T343 VanDerWaalsContact O-CB 3.22Å; P292-T343 WeakPolarHBondContact O-CB 3.48Å; P292-T343 WeakPolarHBondContact O-CG2 3.45Å; P292-V344 WeakPolarHBondContact CB-O 3.3Å; P292-I447 HydrophobicContact CG-CD1 4.16Å |
| 293 | N | 76 | Confident | 83.3 | Confident | 88 Ų | 88 | 22.1 Ų | 22.1 | 47% | 0.471 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -5.2 | 179.9 | -54.3 | -70.8 | 0 | 0 | 0 | 112.2 | Q275 D291 | Q275-N293 VanDerWaalsContact CD-ND2 3.32Å; Q275-N293 PolarHBondContact NE2-ND2 3.41Å; Q275-N293 PolarHBondContact OE1-ND2 3.49Å; Q275-N293 VanDerWaalsContact OE1-ND2 3.13Å; D291-N293 PolarHBondContact O-N 3.42Å; D291-N293 PolarHBondContact OD1-N 3.27Å; D291-N293 VanDerWaalsContact OD1-N 3.08Å |
| 294 | N | 76.5 | Confident | 83.5 | Confident | 24 Ų | 24 | 21.5 Ų | 21.5 | 13% | 0.128 | 12% | 0.122 | C | C | . | . | trans | -76.6 | 120.3 | 178.5 | -171.2 | -50.8 | 0 | 0 | 0 | 110 | D291 N296 A297 G342 | D291-N294 HydrophobicContact CB-CB 3.72Å; D291-N294 WeakPolarHBondContact O-CB 3.49Å; D291-N294 PolarHBondContact O-N 2.95Å; D291-N294 PolarHBondContact OD1-N 3.38Å; N294-N296 PolarHBondContact O-N 2.78Å; N294-N296 PolarHBondContact OD1-N 3.3Å; N294-A297 PolarHBondContact O-N 3.45Å; N294-G342 VanDerWaalsContact O-O 3.06Å | ||
| 295 | P | 64.4 | Low | 83.5 | Confident | 68 Ų | 68 | 27.2 Ų | 27.2 | 44% | 0.442 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -10.5 | -173.4 | 29.2 | -37 | 0 | 0 | 0 | 114.4 | A341 G342 | P295-A341 HydrophobicContact CB-CB 3.43Å; P295-A341 VanDerWaalsContact CB-CB 3.43Å; P295-A341 CarbonylContact O-C 3.43Å; P295-A341 VanDerWaalsContact O-CA 3.32Å; P295-A341 WeakPolarHBondContact O-CA 3.43Å; P295-G342 CarbonylContact C-O 3.33Å; P295-G342 PolarHBondContact O-N 3.31Å |
| 296 | N | 67.4 | Low | 83.3 | Confident | 57 Ų | 57 | 32.3 Ų | 32.3 | 31% | 0.305 | 15% | 0.152 | S | C | . | . | B | Isolated β-bridge | trans | -101.5 | 17.5 | -179.4 | -60.5 | 13.9 | 0 | 0 | 0 | 112 | N294 I298 H316 W317 | N294-N296 PolarHBondContact O-N 2.78Å; N294-N296 PolarHBondContact OD1-N 3.3Å; N296-I298 VanDerWaalsContact C-N 3.27Å; N296-I298 HydrophobicContact CB-CD1 4.1Å; N296-I298 HydrophobicContact CB-CG1 3.88Å; N296-I298 PolarHBondContact O-N 2.84Å; N296-I298 VanDerWaalsContact O-N 3.14Å; N296-H316 PolarHBondContact ND2-CE1 3.46Å; N296-H316 VanDerWaalsContact ND2-CE1 3.31Å; N296-H316 PolarHBondContact ND2-NE2 3.04Å; N296-H316 CarbonylContact O-C 3.51Å; N296-H316 WeakPolarHBondContact O-CA 3.34Å; N296-W317 VanDerWaalsContact CA-O 3.27Å; N296-W317 WeakPolarHBondContact CA-O 3.39Å; N296-W317 VanDerWaalsContact CB-O 3.32Å; N296-W317 WeakPolarHBondContact CB-O 3.35Å; N296-W317 PolarHBondContact O-N 3.38Å |
| 297 | A | 73.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | 46.1 | 43.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N294 V299 S315 W317 G342 V344 I373 | N294-A297 PolarHBondContact O-N 3.45Å; A297-V299 PolarHBondContact O-N 3.31Å; A297-S315 PolarHBondContact O-OG 3.04Å; A297-W317 HydrophobicContact CB-CB 3.87Å; A297-W317 HydrophobicContact CB-CG 4.5Å; A297-G342 WeakPolarHBondContact CA-O 3.44Å; A297-G342 WeakPolarHBondContact CB-O 3.35Å; A297-G342 PolarHBondContact N-O 2.85Å; A297-V344 HydrophobicContact CB-CG2 3.92Å; A297-I373 HydrophobicContact CB-CD1 4.01Å; A297-I373 HydrophobicContact CB-CG1 4.41Å; A297-I373 HydrophobicContact CB-CG2 4.05Å | ||
| 298 | I | 77.3 | Confident | 82.4 | Confident | 25 Ų | 25 | 41.1 Ų | 41.1 | 13% | 0.128 | 20% | 0.195 | C | C | . | . | trans | -76.3 | 124.1 | -168.4 | -62.8 | -175.7 | 0 | 0 | 0 | 112 | L272 N296 Q300 L313 | L272-I298 HydrophobicContact CD2-CB 4.32Å; L272-I298 HydrophobicContact CD2-CG2 3.74Å; N296-I298 VanDerWaalsContact C-N 3.27Å; N296-I298 HydrophobicContact CB-CD1 4.1Å; N296-I298 HydrophobicContact CB-CG1 3.88Å; N296-I298 PolarHBondContact O-N 2.84Å; N296-I298 VanDerWaalsContact O-N 3.14Å; I298-Q300 HydrophobicContact CG2-CG 4.05Å; I298-L313 HydrophobicContact CG2-CD1 3.72Å | ||
| 299 | V | 83.6 | Confident | 82 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131.9 | 168.5 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | I289 A290 A297 L314 S315 V344 L347 M371 | I289-V299 WeakPolarHBondContact O-CA 3.35Å; A290-V299 HydrophobicContact CB-CG2 3.96Å; A297-V299 PolarHBondContact O-N 3.31Å; V299-L314 HydrophobicContact CB-CB 4.32Å; V299-L314 HydrophobicContact CG1-CB 4.3Å; V299-L314 HydrophobicContact CG1-CD1 4.09Å; V299-L314 PolarHBondContact O-N 3.06Å; V299-S315 VanDerWaalsContact CB-OG 3.29Å; V299-S315 WeakPolarHBondContact CB-OG 3.48Å; V299-S315 VanDerWaalsContact CG2-OG 3.32Å; V299-S315 WeakPolarHBondContact CG2-OG 3.39Å; V299-S315 PolarHBondContact N-OG 3.06Å; V299-S315 PolarHBondContact O-N 3.39Å; V299-V344 HydrophobicContact CG2-CG2 4.21Å; V299-L347 HydrophobicContact CG1-CD1 4.27Å; V299-L347 HydrophobicContact CG1-CD2 4.42Å; V299-M371 HydrophobicContact CG2-CE 3.36Å; V299-M371 HydrophobicContact CG2-SD 3.97Å |
| 300 | Q | 86.9 | Confident | 81.6 | Confident | 16 Ų | 16 | 51.1 Ų | 51.1 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 140.3 | -178.9 | -61.5 | -176.7 | -13.1 | 0 | 0 | 111.3 | C270 L272 C288 I289 I298 M310 L313 | C270-Q300 PolarHBondContact O-NE2 2.85Å; C270-Q300 PolarHBondContact O-OE1 3.25Å; L272-Q300 HydrophobicContact CD2-CG 3.81Å; C288-Q300 WeakPolarHBondContact CA-O 3.33Å; I289-Q300 PolarHBondContact N-O 3.47Å; I289-Q300 PolarHBondContact O-N 2.78Å; I298-Q300 HydrophobicContact CG2-CG 4.05Å; Q300-M310 HydrophobicContact CB-CG 4.18Å; Q300-M310 HydrophobicContact CB-SD 3.71Å; Q300-M310 HydrophobicContact CG-SD 3.49Å; Q300-M310 WeakPolarHBondContact CG-SD 3.42Å; Q300-L313 HydrophobicContact CG-CD1 4.48Å |
| 301 | L | 88.5 | Confident | 81.3 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 127.2 | 171 | 176.2 | 63.1 | 0 | 0 | 0 | 109.8 | C288 M310 L311 C312 L314 W349 V403 L407 | C288-L301 VanDerWaalsContact SG-CD1 3.52Å; L301-M310 WeakPolarHBondContact O-CG 3.45Å; L301-L311 HydrophobicContact CD2-CD2 3.92Å; L301-L311 HydrophobicContact CD2-CG 4.45Å; L301-L311 HydrophobicContact CG-CB 4.21Å; L301-L311 HydrophobicContact CG-CD2 4.1Å; L301-L311 WeakPolarHBondContact O-CA 3.5Å; L301-L311 WeakPolarHBondContact O-CB 3.39Å; L301-L311 PolarHBondContact O-N 3.32Å; L301-C312 HydrophobicContact CB-CB 4.42Å; L301-C312 HydrophobicContact CD2-CB 4.32Å; L301-C312 PolarHBondContact N-O 2.75Å; L301-C312 PolarHBondContact O-N 3.44Å; L301-L314 HydrophobicContact CB-CD1 3.94Å; L301-L314 HydrophobicContact CB-CG 4.02Å; L301-W349 HydrophobicContact CD1-CH2 3.54Å; L301-W349 HydrophobicContact CD1-CZ2 4.26Å; L301-W349 HydrophobicContact CD1-CZ3 4.38Å; L301-V403 HydrophobicContact CD2-CG1 3.57Å; L301-V403 HydrophobicContact CD2-CG2 4.28Å; L301-L407 HydrophobicContact CD2-CD2 4.26Å |
| 302 | W | 89.8 | Confident | 81 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 145.5 | -178.9 | -71.9 | 77.1 | 0 | 0 | 0 | 111.4 | L265 C270 R286 L287 I289 M310 | L265-W302 HydrophobicContact CD1-CD2 4.39Å; L265-W302 HydrophobicContact CD1-CE3 4.39Å; L265-W302 HydrophobicContact CD2-CE3 4.03Å; L265-W302 HydrophobicContact CD2-CZ3 4.04Å; C270-W302 HydrophobicContact CB-CZ2 4.08Å; C270-W302 VanDerWaalsContact SG-CZ2 3.58Å; R286-W302 WeakPolarHBondContact CA-O 3.49Å; L287-W302 PolarHBondContact N-O 3.14Å; L287-W302 PolarHBondContact O-N 2.87Å; I289-W302 HydrophobicContact CD1-CG 4.23Å; W302-M310 HydrophobicContact CH2-CB 4.39Å; W302-M310 HydrophobicContact CZ2-CB 3.99Å |
| 303 | D | 89.6 | Confident | 81 | Confident | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 113.9 | 163.4 | -172.3 | -16.1 | 0 | 0 | 0 | 109 | T285 R305 Y306 L311 | T285-D303 VanDerWaalsContact CB-OD1 3.28Å; T285-D303 WeakPolarHBondContact CB-OD1 3.2Å; T285-D303 CarbonylContact O-C 3.55Å; T285-D303 WeakPolarHBondContact O-CA 3.17Å; T285-D303 PolarHBondContact OG1-OD1 3.49Å; D303-R305 PolarHBondContact O-N 3.4Å; D303-R305 WeakPolarHBondContact OD1-CB 3.48Å; D303-R305 WeakPolarHBondContact OD1-CG 3.46Å; D303-R305 PolarHBondContact OD1-N 3.26Å; D303-R305 IonicContact OD1-NE 3.25Å; D303-R305 PolarHBondContact OD1-NE 3.42Å; D303-R305 VanDerWaalsContact OD1-NE 3.13Å; D303-R305 IonicContact OD2-CZ 3.1Å; D303-R305 IonicContact OD2-NE 2.71Å; D303-R305 PolarHBondContact OD2-NE 2.8Å; D303-R305 IonicContact OD2-NH2 2.82Å; D303-R305 PolarHBondContact OD2-NH2 3.19Å; D303-Y306 CarbonylContact O-C 3.6Å; D303-Y306 PolarHBondContact O-N 3.11Å; D303-L311 HydrophobicContact CB-CD2 4.45Å |
| 304 | L | 90 | Very high | 80.9 | Confident | 28 Ų | 28 | 52.9 Ų | 52.9 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -5.9 | -176.6 | -52.7 | -178.4 | 0 | 0 | 0 | 113.3 | I253 L263 L265 W279 T285 L287 Y306 | I253-L304 HydrophobicContact CD1-CD1 3.87Å; I253-L304 HydrophobicContact CG1-CD1 4.04Å; L263-L304 HydrophobicContact CD2-CB 4.14Å; L263-L304 HydrophobicContact CD2-CD2 3.85Å; L263-L304 HydrophobicContact CD2-CG 4.45Å; L265-L304 HydrophobicContact CD1-CD2 3.93Å; W279-L304 HydrophobicContact CH2-CD1 3.54Å; W279-L304 HydrophobicContact CZ3-CD1 3.55Å; T285-L304 WeakPolarHBondContact O-CG 3.32Å; T285-L304 PolarHBondContact O-N 3.13Å; L287-L304 HydrophobicContact CB-CD2 4.35Å; L287-L304 HydrophobicContact CB-CG 4.48Å; L287-L304 HydrophobicContact CD2-CD2 4.18Å; L304-Y306 VanDerWaalsContact C-N 3.31Å |
| 305 | R | 87.8 | Confident | 80.4 | Confident | 151 Ų | 151 | 52 Ų | 52 | 57% | 0.57 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -26.3 | 165.4 | -63.8 | 179.5 | -67.4 | -178.3 | 0.2 | 112.8 | T285 D303 P307 | T285-R305 HydrophobicContact CG2-CG 3.83Å; T285-R305 PolarHBondContact OG1-NE 2.91Å; D303-R305 PolarHBondContact O-N 3.4Å; D303-R305 WeakPolarHBondContact OD1-CB 3.48Å; D303-R305 WeakPolarHBondContact OD1-CG 3.46Å; D303-R305 PolarHBondContact OD1-N 3.26Å; D303-R305 IonicContact OD1-NE 3.25Å; D303-R305 PolarHBondContact OD1-NE 3.42Å; D303-R305 VanDerWaalsContact OD1-NE 3.13Å; D303-R305 IonicContact OD2-CZ 3.1Å; D303-R305 IonicContact OD2-NE 2.71Å; D303-R305 PolarHBondContact OD2-NE 2.8Å; D303-R305 IonicContact OD2-NH2 2.82Å; D303-R305 PolarHBondContact OD2-NH2 3.19Å; R305-P307 VanDerWaalsContact C-CD 3.44Å |
| 306 | Y | 86.3 | Confident | 80.3 | Confident | 145 Ų | 145 | 52 Ų | 52 | 57% | 0.569 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -128.4 | 55 | -176.3 | -57.1 | -73.4 | 0 | 0 | 0 | 111.7 | D303 L304 K308 H309 | D303-Y306 CarbonylContact O-C 3.6Å; D303-Y306 PolarHBondContact O-N 3.11Å; L304-Y306 VanDerWaalsContact C-N 3.31Å; Y306-K308 PolarHBondContact O-N 2.94Å; Y306-H309 PolarHBondContact O-N 2.93Å |
| 307 | P | 81.7 | Confident | 79.9 | Confident | 37 Ų | 37 | 51.1 Ų | 51.1 | 24% | 0.24 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 10.6 | -166.6 | 32.5 | -39.1 | 0 | 0 | 0 | 115.7 | L263 L265 R305 | L263-P307 HydrophobicContact CD1-CB 3.71Å; L263-P307 HydrophobicContact CD1-CG 4.02Å; L263-P307 HydrophobicContact CD2-CB 3.7Å; L263-P307 HydrophobicContact CD2-CG 4.31Å; L263-P307 HydrophobicContact CG-CB 4.35Å; L265-P307 HydrophobicContact CD2-CB 4.23Å; R305-P307 VanDerWaalsContact C-CD 3.44Å |
| 308 | K | 81 | Confident | 78.7 | Confident | 186 Ų | 186 | 54.9 Ų | 54.9 | 81% | 0.809 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -8.5 | 168.8 | -65 | -174.2 | 177.5 | -176.5 | 0 | 112.9 | Y306 | Y306-K308 PolarHBondContact O-N 2.94Š|
| 309 | H | 80.8 | Confident | 77 | Confident | 134 Ų | 134 | 57.9 Ų | 57.9 | 62% | 0.62 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -136.1 | 123.1 | -173.8 | -57.8 | -70.7 | 0 | 0 | 0 | 110 | Y306 | Y306-H309 PolarHBondContact O-N 2.93Š|
| 310 | M | 81.8 | Confident | 74.8 | Confident | 76 Ų | 76 | 62.5 Ų | 62.5 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 140.6 | 162.2 | -180 | -178 | 70.2 | 0 | 0 | 108.9 | Q300 L301 W302 C312 L313 | Q300-M310 HydrophobicContact CB-CG 4.18Å; Q300-M310 HydrophobicContact CB-SD 3.71Å; Q300-M310 HydrophobicContact CG-SD 3.49Å; Q300-M310 WeakPolarHBondContact CG-SD 3.42Å; L301-M310 WeakPolarHBondContact O-CG 3.45Å; W302-M310 HydrophobicContact CH2-CB 4.39Å; W302-M310 HydrophobicContact CZ2-CB 3.99Å; M310-C312 WeakPolarHBondContact CG-O 3.3Å; M310-L313 HydrophobicContact CE-CB 3.83Å; M310-L313 HydrophobicContact SD-CB 4.39Å |
| 311 | L | 81.6 | Confident | 72 | Confident | 74 Ų | 74 | 70 Ų | 70 | 39% | 0.387 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -41.6 | -179 | -173 | 69.9 | 0 | 0 | 0 | 111.7 | L301 D303 L407 | L301-L311 HydrophobicContact CD2-CD2 3.92Å; L301-L311 HydrophobicContact CD2-CG 4.45Å; L301-L311 HydrophobicContact CG-CB 4.21Å; L301-L311 HydrophobicContact CG-CD2 4.1Å; L301-L311 WeakPolarHBondContact O-CA 3.5Å; L301-L311 WeakPolarHBondContact O-CB 3.39Å; L301-L311 PolarHBondContact O-N 3.32Å; D303-L311 HydrophobicContact CB-CD2 4.45Å; L311-L407 HydrophobicContact CD2-CD1 4.47Å; L311-L407 HydrophobicContact CD2-CD2 3.98Å; L311-L407 HydrophobicContact CG-CD2 3.84Å |
| 312 | C | 79.3 | Confident | 69 | Low | 22 Ų | 22 | 74.1 Ų | 74.1 | 15% | 0.149 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 151.6 | 171.6 | -168.2 | 0 | 0 | 0 | 0 | 111.2 | L301 M310 A406 L407 | L301-C312 HydrophobicContact CB-CB 4.42Å; L301-C312 HydrophobicContact CD2-CB 4.32Å; L301-C312 PolarHBondContact N-O 2.75Å; L301-C312 PolarHBondContact O-N 3.44Å; M310-C312 WeakPolarHBondContact CG-O 3.3Å; C312-A406 PolarHBondContact SG-O 3.12Å; C312-L407 HydrophobicContact CB-CD2 4.16Å |
| 313 | L | 78.3 | Confident | 66.1 | Low | 55 Ų | 55 | 79.1 Ų | 79.1 | 29% | 0.288 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 110.8 | 166.1 | 177.7 | 65.2 | 0 | 0 | 0 | 107.5 | I298 Q300 M310 | I298-L313 HydrophobicContact CG2-CD1 3.72Å; Q300-L313 HydrophobicContact CG-CD1 4.48Å; M310-L313 HydrophobicContact CE-CB 3.83Å; M310-L313 HydrophobicContact SD-CB 4.39Å |
| 314 | L | 72.6 | Confident | 63.2 | Low | 1 Ų | 1 | 83.5 Ų | 83.5 | 1% | 0.005 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -43.2 | -175.6 | -72 | 171.9 | 0 | 0 | 0 | 111.9 | V299 L301 I369 W401 V403 A406 | V299-L314 HydrophobicContact CB-CB 4.32Å; V299-L314 HydrophobicContact CG1-CB 4.3Å; V299-L314 HydrophobicContact CG1-CD1 4.09Å; V299-L314 PolarHBondContact O-N 3.06Å; L301-L314 HydrophobicContact CB-CD1 3.94Å; L301-L314 HydrophobicContact CB-CG 4.02Å; L314-I369 HydrophobicContact CD1-CD1 3.53Å; L314-W401 VanDerWaalsContact O-CE3 3.28Å; L314-W401 WeakPolarHBondContact O-CH2 3.3Å; L314-W401 VanDerWaalsContact O-CZ2 3.31Å; L314-W401 WeakPolarHBondContact O-CZ2 3.12Å; L314-W401 WeakPolarHBondContact O-CZ3 3.07Å; L314-V403 HydrophobicContact CD2-CG2 4.33Å; L314-A406 HydrophobicContact CD2-CB 3.75Å |
| 315 | S | 67 | Low | 60.1 | Low | 5 Ų | 5 | 87.7 Ų | 87.7 | 4% | 0.035 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 148 | -178.6 | 63.9 | 0 | 0 | 0 | 0 | 113.1 | A297 V299 | A297-S315 PolarHBondContact O-OG 3.04Å; V299-S315 VanDerWaalsContact CB-OG 3.29Å; V299-S315 WeakPolarHBondContact CB-OG 3.48Å; V299-S315 VanDerWaalsContact CG2-OG 3.32Å; V299-S315 WeakPolarHBondContact CG2-OG 3.39Å; V299-S315 PolarHBondContact N-OG 3.06Å; V299-S315 PolarHBondContact O-N 3.39Å |
| 316 | H | 62 | Low | 57.2 | Low | 67 Ų | 67 | 87.9 Ų | 87.9 | 31% | 0.31 | 48% | 0.483 | S | S | . | . | trans | -149.3 | 143.8 | 166.8 | -171.8 | -83.5 | 0 | 0 | 0 | 108.7 | N296 | N296-H316 PolarHBondContact ND2-CE1 3.46Å; N296-H316 VanDerWaalsContact ND2-CE1 3.31Å; N296-H316 PolarHBondContact ND2-NE2 3.04Å; N296-H316 CarbonylContact O-C 3.51Å; N296-H316 WeakPolarHBondContact O-CA 3.34Å | ||
| 317 | W | 58.9 | Low | 54.6 | Low | 39 Ų | 39 | 87.3 Ų | 87.3 | 15% | 0.148 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -133.7 | 145.1 | -175.6 | -149.7 | -103.7 | 0 | 0 | 0 | 110 | N296 A297 I373 M397 I426 | N296-W317 VanDerWaalsContact CA-O 3.27Å; N296-W317 WeakPolarHBondContact CA-O 3.39Å; N296-W317 VanDerWaalsContact CB-O 3.32Å; N296-W317 WeakPolarHBondContact CB-O 3.35Å; N296-W317 PolarHBondContact O-N 3.38Å; A297-W317 HydrophobicContact CB-CB 3.87Å; A297-W317 HydrophobicContact CB-CG 4.5Å; W317-I373 HydrophobicContact CE3-CD1 4.25Å; W317-I373 HydrophobicContact CZ3-CD1 4.35Å; W317-M397 HydrophobicContact CZ2-CE 4.29Å; W317-I426 HydrophobicContact CH2-CD1 3.97Å; W317-I426 HydrophobicContact CH2-CG1 4.48Å; W317-I426 HydrophobicContact CH2-CG2 4.2Å; W317-I426 HydrophobicContact CZ3-CD1 4.07Å |
| 318 | P | 48.6 | Very low | 51.9 | Low | 80 Ų | 80 | 95.3 Ų | 95.3 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | S | Bend | cis | -72.3 | 167.3 | -9.5 | 33.5 | -36.7 | 0 | 0 | 0 | 112.5 | ||
| 319 | P | 40.5 | Very low | 49.4 | Very low | 87 Ų | 87 | 91.9 Ų | 91.9 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | trans | -64.8 | 135.3 | 174 | 26.5 | -34.9 | 0 | 0 | 0 | 112.2 | L321 | P319-L321 PolarHBondContact O-N 2.92Š| ||
| 320 | L | 36.8 | Very low | 47 | Very low | 99 Ų | 99 | 91.5 Ų | 91.5 | 52% | 0.518 | 52% | 0.521 | S | S | . | . | trans | -75 | 101.1 | -176.8 | -70.5 | 165.1 | 0 | 0 | 0 | 112.2 | S322 E418 | L320-S322 VanDerWaalsContact C-N 3.34Å; L320-S322 PolarHBondContact O-N 3.06Å; L320-E418 HydrophobicContact CD1-CB 4.23Å; L320-E418 WeakPolarHBondContact CD1-OE2 3.36Å | ||
| 321 | L | 28.9 | Very low | 44.3 | Very low | 172 Ų | 172 | 95.3 Ų | 95.3 | 90% | 0.901 | 54% | 0.544 | S | S | * | . | trans | -73.4 | 83.6 | 167.1 | -86.1 | 87.4 | 0 | 0 | 0 | 110.9 | P319 | P319-L321 PolarHBondContact O-N 2.92Š| ||
| 322 | S | 26.8 | Very low | 41.8 | Very low | 88 Ų | 88 | 100 Ų | 100 | 62% | 0.615 | 57% | 0.568 | S | S | * | * | trans | -147.7 | 63.1 | -179.4 | 61.2 | 0 | 0 | 0 | 0 | 115.7 | L320 | L320-S322 VanDerWaalsContact C-N 3.34Å; L320-S322 PolarHBondContact O-N 3.06Å | ||
| 323 | S | 27.5 | Very low | 39.4 | Very low | 109 Ų | 109 | 106.4 Ų | 106.4 | 76% | 0.762 | 60% | 0.6 | S | S | * | * | trans | -163.8 | 42.1 | 153.3 | 52.4 | 0 | 0 | 0 | 0 | 114.8 | S325 | S323-S325 PolarHBondContact O-N 3.41Š| ||
| 324 | S | 28.2 | Very low | 36.9 | Very low | 99 Ų | 99 | 110.8 Ų | 110.8 | 69% | 0.692 | 62% | 0.624 | S | S | * | * | trans | -71 | 70.5 | 172.5 | 59.1 | 0 | 0 | 0 | 0 | 112.4 | N326 I327 | S324-N326 PolarHBondContact O-N 3.32Å; S324-I327 PolarHBondContact O-N 3.41Å | ||
| 325 | S | 26.2 | Very low | 34.6 | Very low | 115 Ų | 115 | 117.2 Ų | 117.2 | 80% | 0.804 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 18.3 | -170.4 | 55.7 | 0 | 0 | 0 | 0 | 116.1 | S323 | S323-S325 PolarHBondContact O-N 3.41Š|
| 326 | N | 27.5 | Very low | 32.9 | Very low | 155 Ų | 155 | 126.3 Ų | 126.3 | 83% | 0.829 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132 | 1.4 | 179.9 | -98.5 | -32.4 | 0 | 0 | 0 | 115.4 | S324 | S324-N326 PolarHBondContact O-N 3.32Š|
| 327 | I | 31.7 | Very low | 31.2 | Very low | 133 Ų | 133 | 129.8 Ų | 129.8 | 68% | 0.682 | 72% | 0.719 | S | S | * | * | trans | -107.7 | 84.5 | 175.1 | -54.3 | -177.4 | 0 | 0 | 0 | 110.1 | S324 T329 | S324-I327 PolarHBondContact O-N 3.41Å; I327-T329 PolarHBondContact O-N 3.39Å | ||
| 328 | K | 24.5 | Very low | 29.9 | Very low | 205 Ų | 205 | 134 Ų | 134 | 89% | 0.891 | 74% | 0.743 | S | S | * | * | trans | -87.8 | 80.9 | 169.3 | -73.1 | -178.4 | 178.6 | 174.7 | 0 | 110.5 | ||||
| 329 | T | 28.5 | Very low | 29.2 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | trans | -162.7 | 149.9 | 160.6 | -4.1 | 0 | 0 | 0 | 0 | 113.8 | I327 | I327-T329 PolarHBondContact O-N 3.39Š| ||
| 330 | T | 28.9 | Very low | 29.3 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | 50.3 | 91.2 | 158.6 | 51 | 0 | 0 | 0 | 0 | 119 | L332 | T330-L332 PolarHBondContact O-N 2.95Š| ||
| 331 | N | 26.9 | Very low | 30 | Very low | 157 Ų | 157 | 130.5 Ų | 130.5 | 84% | 0.84 | 73% | 0.732 | S | S | * | * | trans | -30 | 127.5 | 144.2 | -47.2 | -33.4 | 0 | 0 | 0 | 113.4 | ||||
| 332 | L | 28.4 | Very low | 31.5 | Very low | 172 Ų | 172 | 122.4 Ų | 122.4 | 90% | 0.901 | 69% | 0.69 | S | S | * | * | trans | 162 | 80.2 | 147.6 | -93.1 | 163.8 | 0 | 0 | 0 | 109.9 | T330 | T330-L332 PolarHBondContact O-N 2.95Š| ||
| 333 | L | 29 | Very low | 33.5 | Very low | 156 Ų | 156 | 120.3 Ų | 120.3 | 82% | 0.817 | 67% | 0.674 | S | S | * | * | trans | -170.7 | 48.5 | 165.4 | -109.5 | 162.5 | 0 | 0 | 0 | 113 | ||||
| 334 | N | 25.5 | Very low | 35.8 | Very low | 148 Ų | 148 | 115.1 Ų | 115.1 | 79% | 0.791 | 64% | 0.638 | S | S | * | * | trans | -97 | 142.1 | 162.8 | -83.8 | -3.7 | 0 | 0 | 0 | 109.2 | ||||
| 335 | N | 24.4 | Very low | 38.1 | Very low | 135 Ų | 135 | 111.1 Ų | 111.1 | 72% | 0.722 | 61% | 0.609 | S | S | * | * | trans | 74.5 | 172.2 | -168.8 | -43.5 | -60.6 | 0 | 0 | 0 | 114.1 | ||||
| 336 | Y | 31.4 | Very low | 40.7 | Very low | 197 Ų | 197 | 106 Ų | 106 | 77% | 0.773 | 57% | 0.573 | S | S | * | * | trans | 79.3 | 65.7 | -177.6 | -45.5 | -65 | 0 | 0 | 0 | 116.9 | L338 | Y336-L338 PolarHBondContact O-N 3.39Š| ||
| 337 | T | 26.6 | Very low | 43.5 | Very low | 139 Ų | 139 | 99.4 Ų | 99.4 | 85% | 0.853 | 54% | 0.538 | S | S | * | . | trans | 29.5 | 88.6 | 132.4 | 56.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 338 | L | 31 | Very low | 46 | Very low | 127 Ų | 127 | 94.1 Ų | 94.1 | 67% | 0.665 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 144.9 | 146.8 | -118.1 | 70.4 | 0 | 0 | 0 | 108.6 | Y336 | Y336-L338 PolarHBondContact O-N 3.39Š|
| 339 | G | 34.2 | Very low | 48.7 | Very low | 45 Ų | 45 | 84.9 Ų | 84.9 | 46% | 0.464 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -63 | 164.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A341 | G339-A341 PolarHBondContact O-N 3.08Š|
| 340 | N | 42.6 | Very low | 50.6 | Low | 109 Ų | 109 | 80 Ų | 80 | 58% | 0.583 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -49.3 | 118.9 | -172.3 | -77.2 | -4.3 | 0 | 0 | 0 | 114.4 | S376 F444 | N340-S376 VanDerWaalsContact O-O 3.04Å; N340-S376 PolarHBondContact O-OG 2.94Å; N340-F444 HydrophobicContact CB-CE1 4.46Å |
| 341 | A | 50.9 | Low | 51.9 | Low | 39 Ų | 39 | 77.8 Ų | 77.8 | 32% | 0.322 | 43% | 0.427 | S | S | . | . | 64 | 122.6 | 124.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | P295 G339 | P295-A341 HydrophobicContact CB-CB 3.43Å; P295-A341 VanDerWaalsContact CB-CB 3.43Å; P295-A341 CarbonylContact O-C 3.43Å; P295-A341 VanDerWaalsContact O-CA 3.32Å; P295-A341 WeakPolarHBondContact O-CA 3.43Å; G339-A341 PolarHBondContact O-N 3.08Å | |||
| 342 | G | 60.1 | Low | 52.9 | Low | 2 Ų | 2 | 70.9 Ų | 70.9 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 120.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | N294 P295 A297 S374 | N294-G342 VanDerWaalsContact O-O 3.06Å; P295-G342 CarbonylContact C-O 3.33Å; P295-G342 PolarHBondContact O-N 3.31Å; A297-G342 WeakPolarHBondContact CA-O 3.44Å; A297-G342 WeakPolarHBondContact CB-O 3.35Å; A297-G342 PolarHBondContact N-O 2.85Å; G342-S374 CarbonylContact C-O 3.6Å; G342-S374 VanDerWaalsContact CA-O 3.24Å; G342-S374 WeakPolarHBondContact CA-O 3.46Å |
| 343 | T | 68.5 | Low | 53.5 | Low | 44 Ų | 44 | 66 Ų | 66 | 27% | 0.27 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 134.4 | 174.8 | 61.6 | 0 | 0 | 0 | 0 | 110.5 | P292 N345 I373 S374 | P292-T343 VanDerWaalsContact O-CB 3.22Å; P292-T343 WeakPolarHBondContact O-CB 3.48Å; P292-T343 WeakPolarHBondContact O-CG2 3.45Å; T343-N345 PolarHBondContact O-N 3.41Å; T343-N345 PolarHBondContact O-OD1 3.08Å; T343-N345 PolarHBondContact OG1-OD1 2.81Å; T343-I373 CarbonylContact O-C 3.54Å; T343-I373 VanDerWaalsContact O-CA 3.25Å; T343-I373 WeakPolarHBondContact O-CA 3.38Å; T343-S374 PolarHBondContact N-O 2.83Å; T343-S374 PolarHBondContact O-N 3.36Å; T343-S374 WeakPolarHBondContact OG1-CB 3.39Å |
| 344 | V | 77.3 | Confident | 53.7 | Low | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 113.5 | 174.6 | -165.6 | 0 | 0 | 0 | 0 | 109.3 | M276 P292 A297 V299 M371 T372 | M276-V344 HydrophobicContact CE-CB 4.11Å; M276-V344 HydrophobicContact CE-CG1 3.6Å; P292-V344 WeakPolarHBondContact CB-O 3.3Å; A297-V344 HydrophobicContact CB-CG2 3.92Å; V299-V344 HydrophobicContact CG2-CG2 4.21Å; V344-M371 HydrophobicContact CB-CE 4.23Å; V344-M371 HydrophobicContact CG1-CB 4.24Å; V344-M371 HydrophobicContact CG1-CE 3.58Å; V344-M371 HydrophobicContact CG2-CE 3.57Å; V344-T372 CarbonylContact C-O 3.48Å; V344-T372 WeakPolarHBondContact CA-O 3.44Å |
| 345 | N | 76.4 | Confident | 53.8 | Low | 16 Ų | 16 | 61.7 Ų | 61.7 | 9% | 0.086 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -43 | -178.8 | -66.1 | 12.6 | 0 | 0 | 0 | 111.4 | T343 T372 S374 E396 A451 | T343-N345 PolarHBondContact O-N 3.41Å; T343-N345 PolarHBondContact O-OD1 3.08Å; T343-N345 PolarHBondContact OG1-OD1 2.81Å; N345-T372 PolarHBondContact N-O 3.24Å; N345-S374 PolarHBondContact ND2-OG 3.13Å; N345-S374 PolarHBondContact OD1-N 3.36Å; N345-S374 PolarHBondContact OD1-OG 3.28Å; N345-E396 PolarHBondContact ND2-OE1 3.4Å; N345-A451 HydrophobicContact CB-CB 3.91Å |
| 346 | S | 80.9 | Confident | 54.1 | Low | 7 Ų | 7 | 64.5 Ų | 64.5 | 5% | 0.049 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 162.1 | 178.3 | 77.7 | 0 | 0 | 0 | 0 | 113.2 | M371 T372 I453 | S346-M371 VanDerWaalsContact O-CA 3.22Å; S346-M371 WeakPolarHBondContact O-CA 3.43Å; S346-M371 WeakPolarHBondContact O-CB 3.35Å; S346-T372 PolarHBondContact N-OG1 2.86Å; S346-T372 PolarHBondContact O-N 2.95Å; S346-T372 PolarHBondContact OG-OG1 3.11Å; S346-I453 WeakPolarHBondContact OG-CD1 3.34Å; S346-I453 WeakPolarHBondContact OG-CG1 3.3Å; S346-I453 PolarHBondContact OG-N 3.41Å |
| 347 | L | 85.8 | Confident | 53.9 | Low | 17 Ų | 17 | 61.1 Ų | 61.1 | 9% | 0.089 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 131.6 | -175.2 | 177.2 | 70.2 | 0 | 0 | 0 | 110.8 | M276 C288 A290 V299 I369 M371 | M276-L347 HydrophobicContact CE-CB 3.71Å; M276-L347 HydrophobicContact CG-CB 4.31Å; M276-L347 HydrophobicContact SD-CB 3.79Å; C288-L347 HydrophobicContact CB-CD2 4.09Å; A290-L347 HydrophobicContact CB-CD2 4.44Å; V299-L347 HydrophobicContact CG1-CD1 4.27Å; V299-L347 HydrophobicContact CG1-CD2 4.42Å; L347-I369 HydrophobicContact CD1-CG2 3.55Å; L347-M371 HydrophobicContact CD1-CB 4.17Å |
| 348 | C | 83.2 | Confident | 53.9 | Low | 22 Ų | 22 | 62 Ų | 62 | 15% | 0.149 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 126.9 | -179.9 | -163.4 | 0 | 0 | 0 | 0 | 111.8 | I370 I453 | C348-I370 PolarHBondContact N-O 3.45Å; C348-I370 PolarHBondContact O-N 2.87Å; C348-I453 HydrophobicContact CB-CB 3.94Å; C348-I453 HydrophobicContact CB-CG2 3.74Å; C348-I453 PolarHBondContact SG-O 3.03Å |
| 349 | W | 82.3 | Confident | 53.7 | Low | 10 Ų | 10 | 62.9 Ų | 62.9 | 4% | 0.038 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 156.5 | 169.2 | -140.4 | -52.1 | 0 | 0 | 0 | 110.6 | S278 W279 S280 P281 R286 C288 L301 I369 V403 W455 | S278-W349 PolarHBondContact OG-N 3.38Å; W279-W349 VanDerWaalsContact C-CE3 3.42Å; W279-W349 VanDerWaalsContact O-CE3 3.3Å; S280-W349 VanDerWaalsContact CA-CE3 3.48Å; P281-W349 HydrophobicContact CG-CG 4.28Å; R286-W349 HydrophobicContact CB-CH2 3.91Å; C288-W349 HydrophobicContact CB-CE3 4.16Å; C288-W349 HydrophobicContact CB-CZ3 3.83Å; C288-W349 WeakPolarHBondContact SG-CZ3 3.46Å; L301-W349 HydrophobicContact CD1-CH2 3.54Å; L301-W349 HydrophobicContact CD1-CZ2 4.26Å; L301-W349 HydrophobicContact CD1-CZ3 4.38Å; W349-I369 HydrophobicContact CD2-CD1 4.06Å; W349-I369 HydrophobicContact CD2-CG1 3.86Å; W349-I369 HydrophobicContact CE3-CD1 4.34Å; W349-I369 HydrophobicContact CG-CG1 3.9Å; W349-I369 HydrophobicContact CH2-CD1 4.36Å; W349-I369 HydrophobicContact CZ2-CD1 4.09Å; W349-I369 HydrophobicContact CZ3-CD1 4.5Å; W349-V403 HydrophobicContact CZ2-CG2 4.13Å; W349-W455 PolarHBondContact O-NE1 3.22Å; W349-W455 VanDerWaalsContact O-NE1 3.15Å |
| 350 | G | 67.3 | Low | 53.3 | Low | 12 Ų | 12 | 70.1 Ų | 70.1 | 12% | 0.124 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 159.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115 | P281 M368 | P281-G350 VanDerWaalsContact CB-O 3.25Å; P281-G350 WeakPolarHBondContact CB-O 3.47Å; P281-G350 VanDerWaalsContact CG-O 3.28Å; P281-G350 WeakPolarHBondContact CG-O 3.48Å; G350-M368 PolarHBondContact N-O 2.92Å |
| 351 | I | 57.2 | Low | 52.6 | Low | 79 Ų | 79 | 68.1 Ų | 68.1 | 41% | 0.405 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -87.4 | 135.1 | 176.5 | -68.9 | -177.8 | 0 | 0 | 0 | 110.7 | W455 | I351-W455 HydrophobicContact CD1-CB 3.54Å; I351-W455 HydrophobicContact CD1-CG 4.4Å; I351-W455 HydrophobicContact CG1-CB 3.9Å; I351-W455 HydrophobicContact CG1-CG 4.24Å |
| 352 | P | 47.1 | Very low | 51.6 | Low | 12 Ų | 12 | 70.5 Ų | 70.5 | 8% | 0.078 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 126.2 | 170 | 30 | -23.7 | 0 | 0 | 0 | 109.7 | P281 C354 | P281-P352 HydrophobicContact CB-CB 3.83Å; P281-P352 VanDerWaalsContact CB-CD 3.41Å; P281-P352 HydrophobicContact CB-CG 3.63Å; P352-C354 PolarHBondContact O-N 3.08Å; P352-C354 VanDerWaalsContact O-N 3.09Å |
| 353 | V | 42.4 | Very low | 50.4 | Low | 70 Ų | 70 | 77.9 Ų | 77.9 | 42% | 0.424 | 41% | 0.409 | S | S | . | . | trans | -70.1 | 110.6 | 179.9 | 175.7 | 0 | 0 | 0 | 0 | 111.1 | Q355 Y364 | V353-Q355 HydrophobicContact CG1-CG 4.43Å; V353-Q355 PolarHBondContact O-N 3.04Å; V353-Y364 HydrophobicContact CB-CD2 4.36Å; V353-Y364 HydrophobicContact CB-CE2 4.33Å; V353-Y364 HydrophobicContact CG2-CD1 4.44Å; V353-Y364 HydrophobicContact CG2-CD2 3.71Å; V353-Y364 HydrophobicContact CG2-CE1 4.36Å; V353-Y364 HydrophobicContact CG2-CE2 3.63Å; V353-Y364 HydrophobicContact CG2-CG 4.13Å | ||
| 354 | C | 32.2 | Very low | 49.3 | Very low | 107 Ų | 107 | 79 Ų | 79 | 72% | 0.723 | 41% | 0.408 | S | S | * | . | trans | -70.3 | 83.1 | 179.9 | -61.8 | 0 | 0 | 0 | 0 | 112.4 | P352 K356 | P352-C354 PolarHBondContact O-N 3.08Å; P352-C354 VanDerWaalsContact O-N 3.09Å; C354-K356 PolarHBondContact O-N 3.45Å; C354-K356 VanDerWaalsContact O-N 3.12Å | ||
| 355 | Q | 28.8 | Very low | 48 | Very low | 106 Ų | 106 | 82.8 Ų | 82.8 | 50% | 0.495 | 43% | 0.429 | S | S | . | . | trans | -71.8 | 103.9 | 174.8 | -70 | -162 | -49.3 | 0 | 0 | 112.7 | V353 | V353-Q355 HydrophobicContact CG1-CG 4.43Å; V353-Q355 PolarHBondContact O-N 3.04Å | ||
| 356 | K | 28.7 | Very low | 46.9 | Very low | 195 Ų | 195 | 84.1 Ų | 84.1 | 85% | 0.848 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -116 | 136.4 | 142.3 | -76.2 | -178.7 | 177.9 | 174.5 | 0 | 108 | C354 | C354-K356 PolarHBondContact O-N 3.45Å; C354-K356 VanDerWaalsContact O-N 3.12Å |
| 357 | S | 27.7 | Very low | 46.2 | Very low | 125 Ų | 125 | 84.8 Ų | 84.8 | 87% | 0.874 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 50.4 | 61.1 | 178 | 61.3 | 0 | 0 | 0 | 0 | 118 | ||
| 358 | M | 26.9 | Very low | 45.5 | Very low | 158 Ų | 158 | 85.9 Ų | 85.9 | 78% | 0.778 | 44% | 0.444 | S | S | * | . | trans | -142.6 | 150.4 | 137.8 | -82 | -145.8 | 178.8 | 0 | 0 | 110.2 | ||||
| 359 | N | 28.2 | Very low | 45.1 | Very low | 146 Ų | 146 | 85 Ų | 85 | 78% | 0.781 | 44% | 0.437 | S | S | * | . | trans | -68.6 | 155.8 | -173.4 | -74.7 | -46.9 | 0 | 0 | 0 | 112.8 | L361 | N359-L361 PolarHBondContact O-N 2.9Å; N359-L361 VanDerWaalsContact O-N 3.08Å | ||
| 360 | K | 25.7 | Very low | 44.8 | Very low | 197 Ų | 197 | 84.5 Ų | 84.5 | 86% | 0.857 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -42.7 | 110.5 | 179.5 | -65.6 | 175 | 177.4 | 177 | 0 | 112.8 | ||
| 361 | L | 26.6 | Very low | 45.3 | Very low | 66 Ų | 66 | 83.9 Ų | 83.9 | 35% | 0.346 | 43% | 0.43 | S | S | . | . | trans | 152.5 | 89.3 | 153.1 | -87.7 | 160.5 | 0 | 0 | 0 | 109.6 | N359 F363 P617 L634 | N359-L361 PolarHBondContact O-N 2.9Å; N359-L361 VanDerWaalsContact O-N 3.08Å; L361-F363 HydrophobicContact CD2-CD2 4.43Å; L361-F363 HydrophobicContact CD2-CE2 3.97Å; L361-P617 HydrophobicContact CD2-CB 4.5Å; L361-L634 HydrophobicContact CD1-CD1 4.44Å | ||
| 362 | N | 29.8 | Very low | 46.1 | Very low | 90 Ų | 90 | 80.1 Ų | 80.1 | 48% | 0.481 | 41% | 0.41 | S | S | . | . | trans | -151.8 | 92 | 164.2 | -102.2 | -18.3 | 0 | 0 | 0 | 108 | Y364 | N362-Y364 HydrophobicContact CB-CE2 4.1Š| ||
| 363 | F | 34.3 | Very low | 47.2 | Very low | 157 Ų | 157 | 79.6 Ų | 79.6 | 69% | 0.689 | 41% | 0.407 | S | S | * | . | trans | -81.8 | 126.8 | 173.5 | -72.6 | -88.1 | 0 | 0 | 0 | 109 | L361 S612 | L361-F363 HydrophobicContact CD2-CD2 4.43Å; L361-F363 HydrophobicContact CD2-CE2 3.97Å; F363-S612 WeakPolarHBondContact O-CB 3.48Å; F363-S612 PolarHBondContact O-OG 3.47Å | ||
| 364 | Y | 45.8 | Very low | 48.4 | Very low | 66 Ų | 66 | 76.6 Ų | 76.6 | 26% | 0.259 | 39% | 0.389 | S | S | . | . | trans | -120.5 | 138.1 | 164.8 | -71.8 | -95.7 | 0 | 0 | 0 | 106.7 | V353 N362 N366 S612 W613 | V353-Y364 HydrophobicContact CB-CD2 4.36Å; V353-Y364 HydrophobicContact CB-CE2 4.33Å; V353-Y364 HydrophobicContact CG2-CD1 4.44Å; V353-Y364 HydrophobicContact CG2-CD2 3.71Å; V353-Y364 HydrophobicContact CG2-CE1 4.36Å; V353-Y364 HydrophobicContact CG2-CE2 3.63Å; V353-Y364 HydrophobicContact CG2-CG 4.13Å; N362-Y364 HydrophobicContact CB-CE2 4.1Å; Y364-N366 WeakPolarHBondContact CB-OD1 3.26Å; Y364-N366 PolarHBondContact O-N 3.47Å; Y364-N366 PolarHBondContact O-OD1 3.14Å; Y364-S612 WeakPolarHBondContact CA-OG 3.2Å; Y364-W613 HydrophobicContact CD1-CE3 4.39Å; Y364-W613 HydrophobicContact CE1-CB 4.45Å; Y364-W613 HydrophobicContact CE1-CE3 4.49Å | ||
| 365 | D | 50.1 | Low | 49.6 | Very low | 80 Ų | 80 | 72.6 Ų | 72.6 | 43% | 0.428 | 36% | 0.364 | S | S | . | . | trans | -77.1 | 81.9 | 172.1 | -60.7 | -31 | 0 | 0 | 0 | 106.2 | D367 M368 | D365-D367 PolarHBondContact O-N 3.39Å; D365-M368 WeakPolarHBondContact O-CG 3.45Å | ||
| 366 | N | 54.3 | Low | 50.7 | Low | 44 Ų | 44 | 68.7 Ų | 68.7 | 24% | 0.235 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -2.8 | -170 | -67.6 | -11.5 | 0 | 0 | 0 | 114.1 | P281 D282 Y364 | P281-N366 WeakPolarHBondContact CG-O 3.42Å; D282-N366 HydrophobicContact CB-CB 4.36Å; D282-N366 PolarHBondContact OD1-ND2 3.47Å; D282-N366 WeakPolarHBondContact OD2-CB 3.35Å; D282-N366 PolarHBondContact OD2-ND2 3.32Å; Y364-N366 WeakPolarHBondContact CB-OD1 3.26Å; Y364-N366 PolarHBondContact O-N 3.47Å; Y364-N366 PolarHBondContact O-OD1 3.14Å |
| 367 | D | 65.4 | Low | 51.5 | Low | 21 Ų | 21 | 60.3 Ų | 60.3 | 11% | 0.112 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 25.6 | -169.8 | -97.5 | -45.2 | 0 | 0 | 0 | 112.5 | R286 D365 V403 | R286-D367 IonicContact CZ-OD1 2.77Å; R286-D367 IonicContact CZ-OD2 3.27Å; R286-D367 IonicContact NH1-OD1 3.68Å; R286-D367 PolarHBondContact NH1-OD1 3.36Å; R286-D367 IonicContact NH1-OD2 2.78Å; R286-D367 PolarHBondContact NH1-OD2 3.06Å; D365-D367 PolarHBondContact O-N 3.39Å; D367-V403 HydrophobicContact CB-CB 3.91Å; D367-V403 HydrophobicContact CB-CG1 4.47Å; D367-V403 VanDerWaalsContact O-CB 3.28Å; D367-V403 WeakPolarHBondContact O-CB 3.35Å; D367-V403 WeakPolarHBondContact O-CG2 3.29Å; D367-V403 PolarHBondContact O-N 2.98Å |
| 368 | M | 70.5 | Confident | 52 | Low | 41 Ų | 41 | 57.3 Ų | 57.3 | 20% | 0.202 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 136.4 | 174 | -66.7 | -77.9 | -73.4 | 0 | 0 | 112.1 | G350 D365 V400 I424 | G350-M368 PolarHBondContact N-O 2.92Å; D365-M368 WeakPolarHBondContact O-CG 3.45Å; M368-V400 HydrophobicContact CE-CG1 3.58Å; M368-I424 HydrophobicContact CE-CD1 3.67Å; M368-I424 HydrophobicContact SD-CD1 3.49Å; M368-I424 WeakPolarHBondContact SD-CD1 3.28Å |
| 369 | I | 75.3 | Confident | 52.4 | Low | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 138.2 | 177.1 | -66 | 172.8 | 0 | 0 | 0 | 109.6 | C288 L314 L347 W349 V400 W401 V403 | C288-I369 WeakPolarHBondContact SG-CD1 3.11Å; L314-I369 HydrophobicContact CD1-CD1 3.53Å; L347-I369 HydrophobicContact CD1-CG2 3.55Å; W349-I369 HydrophobicContact CD2-CD1 4.06Å; W349-I369 HydrophobicContact CD2-CG1 3.86Å; W349-I369 HydrophobicContact CE3-CD1 4.34Å; W349-I369 HydrophobicContact CG-CG1 3.9Å; W349-I369 HydrophobicContact CH2-CD1 4.36Å; W349-I369 HydrophobicContact CZ2-CD1 4.09Å; W349-I369 HydrophobicContact CZ3-CD1 4.5Å; I369-V400 WeakPolarHBondContact O-CA 3.35Å; I369-W401 HydrophobicContact CB-CB 4.41Å; I369-W401 PolarHBondContact N-O 2.9Å; I369-W401 PolarHBondContact O-N 3.25Å; I369-V403 HydrophobicContact CD1-CG2 3.35Å; I369-V403 HydrophobicContact CG1-CG2 4.01Å |
| 370 | I | 77.4 | Confident | 52.7 | Low | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 140.7 | 178.7 | -54.1 | -171 | 0 | 0 | 0 | 109.2 | C348 L398 V399 V400 I453 W455 I463 L477 | C348-I370 PolarHBondContact N-O 3.45Å; C348-I370 PolarHBondContact O-N 2.87Å; I370-L398 HydrophobicContact CG2-CD1 3.38Å; I370-V399 WeakPolarHBondContact CA-O 3.27Å; I370-V400 HydrophobicContact CD1-CG2 4.36Å; I370-V400 HydrophobicContact CG1-CG1 4.15Å; I370-V400 HydrophobicContact CG1-CG2 4.14Å; I370-V400 HydrophobicContact CG2-CG2 4.3Å; I370-I453 HydrophobicContact CB-CG2 4.45Å; I370-I453 HydrophobicContact CG2-CD1 3.81Å; I370-I453 HydrophobicContact CG2-CG2 4.16Å; I370-W455 HydrophobicContact CD1-CH2 3.63Å; I370-W455 HydrophobicContact CD1-CZ2 3.29Å; I370-W455 HydrophobicContact CD1-CZ3 4.46Å; I370-W455 HydrophobicContact CG1-CZ2 3.95Å; I370-I463 HydrophobicContact CD1-CD1 4.31Å; I370-I463 HydrophobicContact CD1-CG2 3.94Å; I370-I463 HydrophobicContact CG2-CD1 4.44Å; I370-L477 HydrophobicContact CD1-CD1 4.09Å |
| 371 | M | 77.7 | Confident | 53.1 | Low | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 150.6 | 178.2 | 63.4 | -169.3 | -65.3 | 0 | 0 | 111.5 | V299 V344 S346 L347 I373 V399 W401 I453 | V299-M371 HydrophobicContact CG2-CE 3.36Å; V299-M371 HydrophobicContact CG2-SD 3.97Å; V344-M371 HydrophobicContact CB-CE 4.23Å; V344-M371 HydrophobicContact CG1-CB 4.24Å; V344-M371 HydrophobicContact CG1-CE 3.58Å; V344-M371 HydrophobicContact CG2-CE 3.57Å; S346-M371 VanDerWaalsContact O-CA 3.22Å; S346-M371 WeakPolarHBondContact O-CA 3.43Å; S346-M371 WeakPolarHBondContact O-CB 3.35Å; L347-M371 HydrophobicContact CD1-CB 4.17Å; M371-I373 HydrophobicContact CE-CD1 3.71Å; M371-I373 HydrophobicContact CE-CG1 3.73Å; M371-I373 HydrophobicContact CG-CG1 4.42Å; M371-I373 HydrophobicContact SD-CD1 4.34Å; M371-V399 HydrophobicContact CG-CB 3.84Å; M371-V399 PolarHBondContact N-O 3.13Å; M371-V399 PolarHBondContact O-N 3.48Å; M371-V399 HydrophobicContact SD-CB 4.46Å; M371-W401 PolarHBondContact SD-NE1 3.01Å; M371-I453 VanDerWaalsContact C-CD1 3.41Å |
| 372 | T | 74 | Confident | 53.6 | Low | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 137.9 | 165.6 | 38.9 | 0 | 0 | 0 | 0 | 110.2 | V344 N345 S346 M397 L429 I453 I465 | V344-T372 CarbonylContact C-O 3.48Å; V344-T372 WeakPolarHBondContact CA-O 3.44Å; N345-T372 PolarHBondContact N-O 3.24Å; S346-T372 PolarHBondContact N-OG1 2.86Å; S346-T372 PolarHBondContact O-N 2.95Å; S346-T372 PolarHBondContact OG-OG1 3.11Å; T372-M397 CarbonylContact C-O 3.53Å; T372-M397 WeakPolarHBondContact CA-O 3.26Å; T372-L429 HydrophobicContact CG2-CD1 3.83Å; T372-I453 HydrophobicContact CG2-CD1 3.92Å; T372-I453 HydrophobicContact CG2-CG1 4.12Å; T372-I465 HydrophobicContact CG2-CG2 3.94Å |
| 373 | I | 69.4 | Low | 53.7 | Low | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 124.1 | 178 | -57 | 178.7 | 0 | 0 | 0 | 108.6 | A297 W317 T343 M371 E396 M397 V399 | A297-I373 HydrophobicContact CB-CD1 4.01Å; A297-I373 HydrophobicContact CB-CG1 4.41Å; A297-I373 HydrophobicContact CB-CG2 4.05Å; W317-I373 HydrophobicContact CE3-CD1 4.25Å; W317-I373 HydrophobicContact CZ3-CD1 4.35Å; T343-I373 CarbonylContact O-C 3.54Å; T343-I373 VanDerWaalsContact O-CA 3.25Å; T343-I373 WeakPolarHBondContact O-CA 3.38Å; M371-I373 HydrophobicContact CE-CD1 3.71Å; M371-I373 HydrophobicContact CE-CG1 3.73Å; M371-I373 HydrophobicContact CG-CG1 4.42Å; M371-I373 HydrophobicContact SD-CD1 4.34Å; I373-E396 CarbonylContact O-C 3.59Å; I373-E396 WeakPolarHBondContact O-CA 3.49Å; I373-M397 PolarHBondContact N-O 3.25Å; I373-M397 PolarHBondContact O-N 3.04Å; I373-V399 HydrophobicContact CD1-CB 4.48Å; I373-V399 HydrophobicContact CD1-CG2 3.76Å; I373-V399 HydrophobicContact CG1-CG2 4.26Å |
| 374 | S | 67.1 | Low | 53.7 | Low | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 135.6 | 160.9 | -55.1 | 0 | 0 | 0 | 0 | 109.3 | G342 T343 N345 Y394 | G342-S374 CarbonylContact C-O 3.6Å; G342-S374 VanDerWaalsContact CA-O 3.24Å; G342-S374 WeakPolarHBondContact CA-O 3.46Å; T343-S374 PolarHBondContact N-O 2.83Å; T343-S374 PolarHBondContact O-N 3.36Å; T343-S374 WeakPolarHBondContact OG1-CB 3.39Å; N345-S374 PolarHBondContact ND2-OG 3.13Å; N345-S374 PolarHBondContact OD1-N 3.36Å; N345-S374 PolarHBondContact OD1-OG 3.28Å; S374-Y394 PolarHBondContact OG-OH 3.18Å |
| 375 | A | 58.8 | Low | 53 | Low | 24 Ų | 24 | 48.5 Ų | 48.5 | 20% | 0.198 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 137.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110 | A395 | A375-A395 PolarHBondContact N-O 2.91Å; A375-A395 PolarHBondContact O-N 3.46Å |
| 376 | S | 52 | Low | 52.2 | Low | 23 Ų | 23 | 52.2 Ų | 52.2 | 16% | 0.161 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132.8 | 171.5 | 86.9 | 0 | 0 | 0 | 0 | 110.6 | N340 | N340-S376 VanDerWaalsContact O-O 3.04Å; N340-S376 PolarHBondContact O-OG 2.94Å |
| 377 | G | 45 | Very low | 51.1 | Low | 19 Ų | 19 | 52.1 Ų | 52.1 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.5 | 171.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | L379 T393 | G377-L379 PolarHBondContact O-N 2.97Å; G377-L379 VanDerWaalsContact O-N 3.13Å; G377-T393 PolarHBondContact N-O 3.4Å; G377-T393 PolarHBondContact O-N 3.4Å; G377-T393 PolarHBondContact O-OG1 2.9Å |
| 378 | S | 37.3 | Very low | 49.7 | Very low | 62 Ų | 62 | 58 Ų | 58 | 43% | 0.434 | 35% | 0.35 | S | S | . | . | trans | -71.3 | 103.6 | 165.3 | 56.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 379 | L | 36.7 | Very low | 48 | Very low | 111 Ų | 111 | 65.5 Ų | 65.5 | 58% | 0.581 | 38% | 0.381 | S | S | * | . | trans | -47.5 | 126.4 | 163.6 | -92.6 | 161.9 | 0 | 0 | 0 | 108.5 | G377 T381 | G377-L379 PolarHBondContact O-N 2.97Å; G377-L379 VanDerWaalsContact O-N 3.13Å; L379-T381 PolarHBondContact O-N 2.97Å | ||
| 380 | P | 33.5 | Very low | 46 | Very low | 105 Ų | 105 | 71.2 Ų | 71.2 | 68% | 0.682 | 41% | 0.411 | S | S | * | . | trans | -63.3 | 112.8 | -179.7 | 25 | -32.8 | 0 | 0 | 0 | 108.6 | ||||
| 381 | T | 35.1 | Very low | 44 | Very low | 63 Ų | 63 | 76.5 Ų | 76.5 | 39% | 0.387 | 44% | 0.44 | S | S | . | . | trans | -61.6 | 146.5 | 171.6 | 72.3 | 0 | 0 | 0 | 0 | 108.5 | L379 N383 G384 N385 L390 | L379-T381 PolarHBondContact O-N 2.97Å; T381-N383 PolarHBondContact O-N 3.44Å; T381-G384 PolarHBondContact O-N 2.99Å; T381-G384 VanDerWaalsContact O-N 3.16Å; T381-N385 PolarHBondContact OG1-O 3.18Å; T381-L390 HydrophobicContact CG2-CD1 4.32Å | ||
| 382 | L | 36.2 | Very low | 42.3 | Very low | 128 Ų | 128 | 79.2 Ų | 79.2 | 67% | 0.67 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -12.6 | -177.4 | -120.2 | 88.8 | 0 | 0 | 0 | 114.2 | A500 | L382-A500 HydrophobicContact CD2-CB 3.49Å; L382-A500 VanDerWaalsContact CD2-CB 3.49Å |
| 383 | N | 32.5 | Very low | 41 | Very low | 102 Ų | 102 | 81.5 Ų | 81.5 | 55% | 0.545 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -2.8 | -172.4 | -60.3 | -9.4 | 0 | 0 | 0 | 113.4 | T381 N385 | T381-N383 PolarHBondContact O-N 3.44Å; N383-N385 PolarHBondContact O-N 2.9Å |
| 384 | G | 34.4 | Very low | 40.5 | Very low | 59 Ų | 59 | 84.4 Ų | 84.4 | 61% | 0.608 | 48% | 0.483 | S | S | * | . | trans | 67.4 | -10.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | T381 Y386 | T381-G384 PolarHBondContact O-N 2.99Å; T381-G384 VanDerWaalsContact O-N 3.16Å; G384-Y386 PolarHBondContact O-N 3.23Å | ||
| 385 | N | 29.6 | Very low | 40.2 | Very low | 127 Ų | 127 | 84.9 Ų | 84.9 | 68% | 0.679 | 49% | 0.487 | S | S | * | . | trans | -80.3 | 111.6 | 177.6 | -73.6 | -32.4 | 0 | 0 | 0 | 110.7 | T381 N383 G387 | T381-N385 PolarHBondContact OG1-O 3.18Å; N383-N385 PolarHBondContact O-N 2.9Å; N385-G387 PolarHBondContact O-N 3.11Å | ||
| 386 | Y | 34.5 | Very low | 40.7 | Very low | 158 Ų | 158 | 84 Ų | 84 | 62% | 0.62 | 48% | 0.478 | S | S | * | . | trans | -69 | 95.9 | 169.4 | -67.6 | -85.1 | 0 | 0 | 0 | 110.1 | G384 T388 | G384-Y386 PolarHBondContact O-N 3.23Å; Y386-T388 PolarHBondContact O-N 2.89Å; Y386-T388 VanDerWaalsContact O-N 3.13Å | ||
| 387 | G | 31.2 | Very low | 41.7 | Very low | 43 Ų | 43 | 84.9 Ų | 84.9 | 44% | 0.443 | 48% | 0.48 | S | S | . | . | trans | -64.3 | 109.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | N385 K389 L390 | N385-G387 PolarHBondContact O-N 3.11Å; G387-K389 PolarHBondContact O-N 3.47Å; G387-L390 PolarHBondContact O-N 3.5Å | ||
| 388 | T | 35.3 | Very low | 43.2 | Very low | 145 Ų | 145 | 84.1 Ų | 84.1 | 89% | 0.89 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | 27.3 | -175.1 | 50.3 | 0 | 0 | 0 | 0 | 114.9 | Y386 | Y386-T388 PolarHBondContact O-N 2.89Å; Y386-T388 VanDerWaalsContact O-N 3.13Å |
| 389 | K | 34.7 | Very low | 45 | Very low | 197 Ų | 197 | 81.2 Ų | 81.2 | 86% | 0.857 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.9 | 2.9 | -175.3 | -85.1 | -169.3 | 171.9 | -176.4 | 0 | 114.7 | G387 | G387-K389 PolarHBondContact O-N 3.47Š|
| 390 | L | 34.4 | Very low | 46.9 | Very low | 122 Ų | 122 | 76.2 Ų | 76.2 | 64% | 0.639 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -89.1 | 131.2 | 179.5 | -67.9 | 171.8 | 0 | 0 | 0 | 110.9 | T381 G387 | T381-L390 HydrophobicContact CG2-CD1 4.32Å; G387-L390 PolarHBondContact O-N 3.5Å |
| 391 | N | 33.8 | Very low | 48.7 | Very low | 112 Ų | 112 | 71.8 Ų | 71.8 | 60% | 0.599 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 146.8 | 176.7 | -71.4 | -14.9 | 0 | 0 | 0 | 110.8 | T393 | N391-T393 PolarHBondContact O-N 2.85Š|
| 392 | P | 42 | Very low | 50.5 | Low | 57 Ų | 57 | 69.5 Ų | 69.5 | 37% | 0.37 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 118.8 | 173.9 | 27.6 | -33.5 | 0 | 0 | 0 | 109.4 | P440 | P392-P440 HydrophobicContact CG-CB 4.17Å; P392-P440 HydrophobicContact CG-CG 4.19Å |
| 393 | T | 47.6 | Very low | 52.4 | Low | 47 Ų | 47 | 63.4 Ų | 63.4 | 29% | 0.288 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 130.6 | 176.2 | 40.5 | 0 | 0 | 0 | 0 | 109.8 | G377 N391 | G377-T393 PolarHBondContact N-O 3.4Å; G377-T393 PolarHBondContact O-N 3.4Å; G377-T393 PolarHBondContact O-OG1 2.9Å; N391-T393 PolarHBondContact O-N 2.85Å |
| 394 | Y | 58 | Low | 54.1 | Low | 63 Ų | 63 | 61.8 Ų | 61.8 | 25% | 0.247 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 138.5 | 169.3 | 178.9 | -100.4 | 0 | 0 | 0 | 108.9 | S374 E396 S468 | S374-Y394 PolarHBondContact OG-OH 3.18Å; Y394-E396 HydrophobicContact CE1-CG 4.11Å; Y394-S468 PolarHBondContact OH-OG 3.17Å; Y394-S468 VanDerWaalsContact OH-OG 3.07Å |
| 395 | A | 61.5 | Low | 55.6 | Low | 15 Ų | 15 | 62.7 Ų | 62.7 | 12% | 0.124 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 123.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | A375 R428 | A375-A395 PolarHBondContact N-O 2.91Å; A375-A395 PolarHBondContact O-N 3.46Å; A395-R428 HydrophobicContact CB-CG 4.23Å |
| 396 | E | 69.7 | Low | 57.4 | Low | 5 Ų | 5 | 57 Ų | 57 | 2% | 0.023 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 146.1 | 161.7 | -67.8 | -160.6 | 178.7 | 0 | 0 | 110.8 | N345 I373 Y394 L429 S468 | N345-E396 PolarHBondContact ND2-OE1 3.4Å; I373-E396 CarbonylContact O-C 3.59Å; I373-E396 WeakPolarHBondContact O-CA 3.49Å; Y394-E396 HydrophobicContact CE1-CG 4.11Å; E396-L429 HydrophobicContact CB-CB 4.09Å; E396-L429 HydrophobicContact CB-CD1 4.03Å; E396-L429 HydrophobicContact CB-CG 4.43Å; E396-L429 PolarHBondContact O-N 2.69Å; E396-S468 WeakPolarHBondContact OE1-CB 3.27Å; E396-S468 PolarHBondContact OE1-N 2.9Å; E396-S468 PolarHBondContact OE1-OG 3.18Å |
| 397 | M | 72.1 | Confident | 59.1 | Low | 42 Ų | 42 | 52.5 Ų | 52.5 | 21% | 0.207 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 128.6 | -177.1 | -65.4 | -84.7 | -101.2 | 0 | 0 | 108.9 | W317 T372 I373 I426 G427 R428 | W317-M397 HydrophobicContact CZ2-CE 4.29Å; T372-M397 CarbonylContact C-O 3.53Å; T372-M397 WeakPolarHBondContact CA-O 3.26Å; I373-M397 PolarHBondContact N-O 3.25Å; I373-M397 PolarHBondContact O-N 3.04Å; M397-I426 HydrophobicContact CE-CG2 3.63Å; M397-I426 HydrophobicContact SD-CG2 4.37Å; M397-G427 CarbonylContact C-O 3.55Å; M397-G427 WeakPolarHBondContact CA-O 3.45Å; M397-R428 HydrophobicContact SD-CB 3.89Å; M397-R428 HydrophobicContact SD-CG 4.47Å |
| 398 | L | 77.4 | Confident | 60.7 | Low | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 129.5 | 169.6 | 173.6 | 67.4 | 0 | 0 | 0 | 109.1 | I370 F425 I426 G427 L429 I453 I463 I465 | I370-L398 HydrophobicContact CG2-CD1 3.38Å; L398-F425 HydrophobicContact CB-CE1 4Å; L398-F425 HydrophobicContact CD2-CD1 4.49Å; L398-F425 HydrophobicContact CD2-CE1 3.75Å; L398-F425 HydrophobicContact CD2-CZ 4.3Å; L398-F425 HydrophobicContact CG-CD1 4.33Å; L398-F425 HydrophobicContact CG-CE1 3.8Å; L398-F425 WeakPolarHBondContact O-CD1 3.49Å; L398-F425 WeakPolarHBondContact O-CE1 3.5Å; L398-I426 CarbonylContact O-C 3.57Å; L398-I426 WeakPolarHBondContact O-CA 3.42Å; L398-G427 PolarHBondContact N-O 2.82Å; L398-G427 PolarHBondContact O-N 3.21Å; L398-L429 HydrophobicContact CB-CD2 4Å; L398-L429 HydrophobicContact CB-CG 4.3Å; L398-I453 HydrophobicContact CD1-CD1 4.45Å; L398-I463 HydrophobicContact CD1-CD1 4.08Å; L398-I463 HydrophobicContact CD2-CD1 3.84Å; L398-I465 HydrophobicContact CD1-CD1 3.85Å; L398-I465 HydrophobicContact CD2-CD1 4.01Å; L398-I465 HydrophobicContact CG-CD1 4.36Å |
| 399 | V | 74.9 | Confident | 61.7 | Low | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 138.7 | 177.8 | -172.1 | 0 | 0 | 0 | 0 | 110.5 | I370 M371 I373 W401 P423 F425 I426 | I370-V399 WeakPolarHBondContact CA-O 3.27Å; M371-V399 HydrophobicContact CG-CB 3.84Å; M371-V399 PolarHBondContact N-O 3.13Å; M371-V399 PolarHBondContact O-N 3.48Å; M371-V399 HydrophobicContact SD-CB 4.46Å; I373-V399 HydrophobicContact CD1-CB 4.48Å; I373-V399 HydrophobicContact CD1-CG2 3.76Å; I373-V399 HydrophobicContact CG1-CG2 4.26Å; V399-W401 HydrophobicContact CG1-CZ2 4.13Å; V399-P423 HydrophobicContact CG1-CB 3.67Å; V399-P423 HydrophobicContact CG1-CG 4.3Å; V399-F425 WeakPolarHBondContact CA-O 3.42Å; V399-I426 HydrophobicContact CG1-CG1 4.08Å; V399-I426 HydrophobicContact CG2-CG1 4.15Å; V399-I426 HydrophobicContact CG2-CG2 4.37Å |
| 400 | V | 76.3 | Confident | 62.3 | Low | 6 Ų | 6 | 48.2 Ų | 48.2 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 132.7 | 179.9 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | M368 I369 I370 P423 I424 F425 | M368-V400 HydrophobicContact CE-CG1 3.58Å; I369-V400 WeakPolarHBondContact O-CA 3.35Å; I370-V400 HydrophobicContact CD1-CG2 4.36Å; I370-V400 HydrophobicContact CG1-CG1 4.15Å; I370-V400 HydrophobicContact CG1-CG2 4.14Å; I370-V400 HydrophobicContact CG2-CG2 4.3Å; V400-P423 CarbonylContact O-C 3.54Å; V400-I424 HydrophobicContact CG1-CD1 4.1Å; V400-I424 PolarHBondContact O-N 3.2Å; V400-F425 HydrophobicContact CB-CB 4.08Å; V400-F425 HydrophobicContact CG2-CB 4.13Å; V400-F425 HydrophobicContact CG2-CD1 4.05Å; V400-F425 HydrophobicContact CG2-CG 4.4Å; V400-F425 PolarHBondContact N-O 3.39Å; V400-F425 PolarHBondContact O-N 3.5Å |
| 401 | W | 72.4 | Confident | 62.8 | Low | 12 Ų | 12 | 48 Ų | 48 | 5% | 0.045 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 146 | -178.5 | -62.8 | 97.7 | 0 | 0 | 0 | 111.2 | L314 I369 M371 V399 P421 P423 | L314-W401 VanDerWaalsContact O-CE3 3.28Å; L314-W401 WeakPolarHBondContact O-CH2 3.3Å; L314-W401 VanDerWaalsContact O-CZ2 3.31Å; L314-W401 WeakPolarHBondContact O-CZ2 3.12Å; L314-W401 WeakPolarHBondContact O-CZ3 3.07Å; I369-W401 HydrophobicContact CB-CB 4.41Å; I369-W401 PolarHBondContact N-O 2.9Å; I369-W401 PolarHBondContact O-N 3.25Å; M371-W401 PolarHBondContact SD-NE1 3.01Å; V399-W401 HydrophobicContact CG1-CZ2 4.13Å; W401-P421 HydrophobicContact CZ3-CB 4.35Å; W401-P421 HydrophobicContact CZ3-CG 4.11Å; W401-P421 WeakPolarHBondContact CZ3-O 3.39Å; W401-P423 HydrophobicContact CD2-CB 3.94Å; W401-P423 HydrophobicContact CE3-CB 3.89Å; W401-P423 HydrophobicContact CH2-CB 3.75Å; W401-P423 HydrophobicContact CH2-CG 3.87Å; W401-P423 HydrophobicContact CZ2-CB 3.79Å; W401-P423 HydrophobicContact CZ2-CG 4.12Å; W401-P423 HydrophobicContact CZ3-CB 3.8Å; W401-P423 HydrophobicContact CZ3-CG 4.23Å |
| 402 | S | 72.7 | Confident | 62.7 | Low | 15 Ų | 15 | 48.1 Ų | 48.1 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 122.7 | 165.4 | 168.5 | 0 | 0 | 0 | 0 | 108.5 | D404 E405 A406 | S402-D404 VanDerWaalsContact C-N 3.26Å; S402-D404 PolarHBondContact O-N 3.04Å; S402-D404 PolarHBondContact OG-N 3.38Å; S402-E405 PolarHBondContact O-N 3.34Å; S402-E405 PolarHBondContact OG-N 3.37Å; S402-A406 VanDerWaalsContact O-CB 3.28Å; S402-A406 WeakPolarHBondContact O-CB 3.46Å; S402-A406 PolarHBondContact O-N 3.31Å |
| 403 | V | 74.7 | Confident | 62.1 | Low | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.1 | -33.3 | 172.6 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | L301 L314 W349 D367 I369 A406 L407 | L301-V403 HydrophobicContact CD2-CG1 3.57Å; L301-V403 HydrophobicContact CD2-CG2 4.28Å; L314-V403 HydrophobicContact CD2-CG2 4.33Å; W349-V403 HydrophobicContact CZ2-CG2 4.13Å; D367-V403 HydrophobicContact CB-CB 3.91Å; D367-V403 HydrophobicContact CB-CG1 4.47Å; D367-V403 VanDerWaalsContact O-CB 3.28Å; D367-V403 WeakPolarHBondContact O-CB 3.35Å; D367-V403 WeakPolarHBondContact O-CG2 3.29Å; D367-V403 PolarHBondContact O-N 2.98Å; I369-V403 HydrophobicContact CD1-CG2 3.35Å; I369-V403 HydrophobicContact CG1-CG2 4.01Å; V403-A406 PolarHBondContact O-N 3.42Å; V403-L407 HydrophobicContact CG1-CD1 3.57Å; V403-L407 HydrophobicContact CG1-CG 4.01Å; V403-L407 VanDerWaalsContact O-CB 3.29Å; V403-L407 WeakPolarHBondContact O-CB 3.19Å; V403-L407 WeakPolarHBondContact O-CG 3.44Å; V403-L407 PolarHBondContact O-N 3.18Å |
| 404 | D | 69.7 | Low | 61.2 | Low | 68 Ų | 68 | 56.8 Ų | 56.8 | 36% | 0.364 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69 | -39.5 | 175.6 | -82.6 | -24.8 | 0 | 0 | 0 | 112.1 | S402 N408 | S402-D404 VanDerWaalsContact C-N 3.26Å; S402-D404 PolarHBondContact O-N 3.04Å; S402-D404 PolarHBondContact OG-N 3.38Å; D404-N408 WeakPolarHBondContact O-CB 3.35Å; D404-N408 PolarHBondContact O-N 3.47Å; D404-N408 PolarHBondContact O-ND2 3.06Å |
| 405 | E | 64.8 | Low | 59.7 | Low | 79 Ų | 79 | 60.1 Ų | 60.1 | 37% | 0.369 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67 | -43.9 | 173.4 | -65.4 | -179.2 | 152.4 | 0 | 0 | 110.1 | S402 L407 N408 C409 | S402-E405 PolarHBondContact O-N 3.34Å; S402-E405 PolarHBondContact OG-N 3.37Å; E405-L407 VanDerWaalsContact C-N 3.3Å; E405-L407 PolarHBondContact O-N 3.38Å; E405-N408 PolarHBondContact O-N 3.46Å; E405-N408 VanDerWaalsContact O-N 3.14Å; E405-C409 PolarHBondContact O-N 3.34Å; E405-C409 PolarHBondContact O-SG 3.16Å; E405-C409 VanDerWaalsContact O-SG 3.35Å |
| 406 | A | 67.4 | Low | 58.1 | Low | 7 Ų | 7 | 65.1 Ų | 65.1 | 6% | 0.058 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.4 | -23.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | C312 L314 S402 V403 P421 | C312-A406 PolarHBondContact SG-O 3.12Å; L314-A406 HydrophobicContact CD2-CB 3.75Å; S402-A406 VanDerWaalsContact O-CB 3.28Å; S402-A406 WeakPolarHBondContact O-CB 3.46Å; S402-A406 PolarHBondContact O-N 3.31Å; V403-A406 PolarHBondContact O-N 3.42Å; A406-P421 HydrophobicContact CB-CB 3.92Å; A406-P421 HydrophobicContact CB-CG 3.87Å |
| 407 | L | 70.8 | Confident | 56 | Low | 64 Ų | 64 | 73.1 Ų | 73.1 | 34% | 0.335 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -89.7 | -17.7 | 173.6 | -70.4 | 174.9 | 0 | 0 | 0 | 113.3 | L301 L311 C312 V403 E405 | L301-L407 HydrophobicContact CD2-CD2 4.26Å; L311-L407 HydrophobicContact CD2-CD1 4.47Å; L311-L407 HydrophobicContact CD2-CD2 3.98Å; L311-L407 HydrophobicContact CG-CD2 3.84Å; C312-L407 HydrophobicContact CB-CD2 4.16Å; V403-L407 HydrophobicContact CG1-CD1 3.57Å; V403-L407 HydrophobicContact CG1-CG 4.01Å; V403-L407 VanDerWaalsContact O-CB 3.29Å; V403-L407 WeakPolarHBondContact O-CB 3.19Å; V403-L407 WeakPolarHBondContact O-CG 3.44Å; V403-L407 PolarHBondContact O-N 3.18Å; E405-L407 VanDerWaalsContact C-N 3.3Å; E405-L407 PolarHBondContact O-N 3.38Å |
| 408 | N | 64.2 | Low | 54.2 | Low | 122 Ų | 122 | 78.3 Ų | 78.3 | 65% | 0.652 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -98.5 | -3.9 | -178.9 | -75.6 | -60.3 | 0 | 0 | 0 | 114 | D404 E405 T410 | D404-N408 WeakPolarHBondContact O-CB 3.35Å; D404-N408 PolarHBondContact O-N 3.47Å; D404-N408 PolarHBondContact O-ND2 3.06Å; E405-N408 PolarHBondContact O-N 3.46Å; E405-N408 VanDerWaalsContact O-N 3.14Å; N408-T410 PolarHBondContact O-N 2.84Å; N408-T410 VanDerWaalsContact O-N 3.07Å |
| 409 | C | 57.2 | Low | 52.3 | Low | 73 Ų | 73 | 82.2 Ų | 82.2 | 49% | 0.493 | 47% | 0.473 | S | S | . | . | trans | -64.5 | 102.8 | 171.3 | -70.7 | 0 | 0 | 0 | 0 | 111.5 | E405 | E405-C409 PolarHBondContact O-N 3.34Å; E405-C409 PolarHBondContact O-SG 3.16Å; E405-C409 VanDerWaalsContact O-SG 3.35Å | ||
| 410 | T | 47.2 | Very low | 51.2 | Low | 100 Ų | 100 | 85.7 Ų | 85.7 | 61% | 0.613 | 50% | 0.497 | S | S | * | . | trans | -85.2 | 140.8 | 172.7 | 69.2 | 0 | 0 | 0 | 0 | 111.4 | N408 D412 | N408-T410 PolarHBondContact O-N 2.84Å; N408-T410 VanDerWaalsContact O-N 3.07Å; T410-D412 WeakPolarHBondContact CB-OD2 3.42Å; T410-D412 PolarHBondContact O-N 2.87Å; T410-D412 PolarHBondContact OG1-OD2 3.26Å | ||
| 411 | P | 45.2 | Very low | 50.4 | Low | 117 Ų | 117 | 86 Ų | 86 | 76% | 0.76 | 50% | 0.499 | S | S | * | . | trans | -83.2 | 56.7 | -175.2 | 35.5 | -37.5 | 0 | 0 | 0 | 112.2 | ||||
| 412 | D | 31.2 | Very low | 49.7 | Very low | 114 Ų | 114 | 91.2 Ų | 91.2 | 61% | 0.61 | 52% | 0.524 | S | S | * | . | trans | -106 | 114.8 | -172.1 | -69.7 | -61.9 | 0 | 0 | 0 | 113.7 | T410 | T410-D412 WeakPolarHBondContact CB-OD2 3.42Å; T410-D412 PolarHBondContact O-N 2.87Å; T410-D412 PolarHBondContact OG1-OD2 3.26Å | ||
| 413 | N | 28.1 | Very low | 49.2 | Very low | 147 Ų | 147 | 91.9 Ų | 91.9 | 79% | 0.786 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 94.4 | 132 | 171.2 | -53.3 | -76.6 | 0 | 0 | 0 | 118.3 | ||
| 414 | V | 29.3 | Very low | 48.7 | Very low | 139 Ų | 139 | 93 Ų | 93 | 84% | 0.842 | 53% | 0.534 | S | S | * | . | S | Bend | trans | 76.3 | 139.9 | 173.8 | -167.8 | 0 | 0 | 0 | 0 | 115.7 | C416 | V414-C416 PolarHBondContact O-N 3.36Š|
| 415 | T | 27.1 | Very low | 48.4 | Very low | 133 Ų | 133 | 91.1 Ų | 91.1 | 82% | 0.816 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -80 | 101.4 | -167.4 | 49.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 416 | C | 26.9 | Very low | 48.3 | Very low | 120 Ų | 120 | 90.5 Ų | 90.5 | 81% | 0.811 | 52% | 0.521 | S | S | * | . | trans | -159 | 170.6 | 143.6 | -96.1 | 0 | 0 | 0 | 0 | 109.1 | V414 | V414-C416 PolarHBondContact O-N 3.36Š| ||
| 417 | Q | 27.3 | Very low | 48.1 | Very low | 174 Ų | 174 | 90.8 Ų | 90.8 | 81% | 0.813 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -74.8 | 170 | 160 | -67.1 | 166.1 | -98.3 | 0 | 0 | 108.8 | ||
| 418 | E | 33.1 | Very low | 47.8 | Very low | 150 Ų | 150 | 91 Ų | 91 | 70% | 0.701 | 52% | 0.521 | S | S | * | . | trans | 70.2 | 79.4 | 172.2 | -61 | 156.8 | -151 | 0 | 0 | 115.9 | L320 | L320-E418 HydrophobicContact CD1-CB 4.23Å; L320-E418 WeakPolarHBondContact CD1-OE2 3.36Å | ||
| 419 | A | 38.5 | Very low | 48.1 | Very low | 87 Ų | 87 | 85.5 Ų | 85.5 | 72% | 0.719 | 49% | 0.491 | S | S | * | . | trans | -102.2 | 91.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 420 | S | 50.9 | Low | 48.3 | Very low | 73 Ų | 73 | 85.9 Ų | 85.9 | 51% | 0.51 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 149.7 | 171.7 | 56.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 421 | P | 60.3 | Low | 48.5 | Very low | 12 Ų | 12 | 82.1 Ų | 82.1 | 8% | 0.078 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 156.4 | 172.1 | 28.5 | -35.7 | 0 | 0 | 0 | 112.2 | W401 A406 | W401-P421 HydrophobicContact CZ3-CB 4.35Å; W401-P421 HydrophobicContact CZ3-CG 4.11Å; W401-P421 WeakPolarHBondContact CZ3-O 3.39Å; A406-P421 HydrophobicContact CB-CB 3.92Å; A406-P421 HydrophobicContact CB-CG 3.87Å |
| 422 | E | 56.6 | Low | 48.7 | Very low | 121 Ų | 121 | 82.1 Ų | 82.1 | 57% | 0.565 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -86.8 | 144.5 | 167.4 | -70.5 | -167.8 | 157 | 0 | 0 | 110.8 | R608 | E422-R608 IonicContact OE2-CZ 2.66Å; E422-R608 IonicContact OE2-NH1 3.21Å; E422-R608 PolarHBondContact OE2-NH1 2.59Å; E422-R608 IonicContact OE2-NH2 3.62Å; E422-R608 PolarHBondContact OE2-NH2 3.44Å |
| 423 | P | 62.4 | Low | 49.1 | Very low | 29 Ų | 29 | 82.8 Ų | 82.8 | 19% | 0.188 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 147.7 | 168.9 | 27.8 | -28.9 | 0 | 0 | 0 | 110.9 | V399 V400 W401 F425 I426 | V399-P423 HydrophobicContact CG1-CB 3.67Å; V399-P423 HydrophobicContact CG1-CG 4.3Å; V400-P423 CarbonylContact O-C 3.54Å; W401-P423 HydrophobicContact CD2-CB 3.94Å; W401-P423 HydrophobicContact CE3-CB 3.89Å; W401-P423 HydrophobicContact CH2-CB 3.75Å; W401-P423 HydrophobicContact CH2-CG 3.87Å; W401-P423 HydrophobicContact CZ2-CB 3.79Å; W401-P423 HydrophobicContact CZ2-CG 4.12Å; W401-P423 HydrophobicContact CZ3-CB 3.8Å; W401-P423 HydrophobicContact CZ3-CG 4.23Å; P423-F425 VanDerWaalsContact C-N 3.27Å; P423-F425 PolarHBondContact O-N 3.4Å; P423-I426 HydrophobicContact CB-CG1 4.29Å; P423-I426 HydrophobicContact CG-CD1 3.6Å; P423-I426 HydrophobicContact CG-CG1 3.7Å |
| 424 | I | 64.3 | Low | 49.6 | Very low | 24 Ų | 24 | 81.2 Ų | 81.2 | 12% | 0.123 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -65.6 | -35.9 | 177 | -39.9 | 177.8 | 0 | 0 | 0 | 110.6 | M368 V400 | M368-I424 HydrophobicContact CE-CD1 3.67Å; M368-I424 HydrophobicContact SD-CD1 3.49Å; M368-I424 WeakPolarHBondContact SD-CD1 3.28Å; V400-I424 HydrophobicContact CG1-CD1 4.1Å; V400-I424 PolarHBondContact O-N 3.2Å |
| 425 | F | 63.4 | Low | 50 | Low | 29 Ų | 29 | 82 Ų | 82 | 13% | 0.127 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 139.5 | -175.6 | 170 | -79.1 | 0 | 0 | 0 | 110 | L398 V399 V400 P423 M604 P605 | L398-F425 HydrophobicContact CB-CE1 4Å; L398-F425 HydrophobicContact CD2-CD1 4.49Å; L398-F425 HydrophobicContact CD2-CE1 3.75Å; L398-F425 HydrophobicContact CD2-CZ 4.3Å; L398-F425 HydrophobicContact CG-CD1 4.33Å; L398-F425 HydrophobicContact CG-CE1 3.8Å; L398-F425 WeakPolarHBondContact O-CD1 3.49Å; L398-F425 WeakPolarHBondContact O-CE1 3.5Å; V399-F425 WeakPolarHBondContact CA-O 3.42Å; V400-F425 HydrophobicContact CB-CB 4.08Å; V400-F425 HydrophobicContact CG2-CB 4.13Å; V400-F425 HydrophobicContact CG2-CD1 4.05Å; V400-F425 HydrophobicContact CG2-CG 4.4Å; V400-F425 PolarHBondContact N-O 3.39Å; V400-F425 PolarHBondContact O-N 3.5Å; P423-F425 VanDerWaalsContact C-N 3.27Å; P423-F425 PolarHBondContact O-N 3.4Å; F425-M604 HydrophobicContact CE2-CE 4.13Å; F425-P605 HydrophobicContact CD2-CB 4.33Å; F425-P605 HydrophobicContact CD2-CG 4.02Å; F425-P605 HydrophobicContact CE2-CG 4.11Å |
| 426 | I | 63.7 | Low | 50.4 | Low | 66 Ų | 66 | 84 Ų | 84 | 34% | 0.338 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 138.7 | 160.2 | -61.2 | 163.1 | 0 | 0 | 0 | 106 | W317 M397 L398 V399 P423 | W317-I426 HydrophobicContact CH2-CD1 3.97Å; W317-I426 HydrophobicContact CH2-CG1 4.48Å; W317-I426 HydrophobicContact CH2-CG2 4.2Å; W317-I426 HydrophobicContact CZ3-CD1 4.07Å; M397-I426 HydrophobicContact CE-CG2 3.63Å; M397-I426 HydrophobicContact SD-CG2 4.37Å; L398-I426 CarbonylContact O-C 3.57Å; L398-I426 WeakPolarHBondContact O-CA 3.42Å; V399-I426 HydrophobicContact CG1-CG1 4.08Å; V399-I426 HydrophobicContact CG2-CG1 4.15Å; V399-I426 HydrophobicContact CG2-CG2 4.37Å; P423-I426 HydrophobicContact CB-CG1 4.29Å; P423-I426 HydrophobicContact CG-CD1 3.6Å; P423-I426 HydrophobicContact CG-CG1 3.7Å |
| 427 | G | 62.2 | Low | 50.7 | Low | 12 Ų | 12 | 81 Ų | 81 | 12% | 0.124 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 144.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M397 L398 | M397-G427 CarbonylContact C-O 3.55Å; M397-G427 WeakPolarHBondContact CA-O 3.45Å; L398-G427 PolarHBondContact N-O 2.82Å; L398-G427 PolarHBondContact O-N 3.21Å |
| 428 | R | 64.9 | Low | 50.9 | Low | 69 Ų | 69 | 77.1 Ų | 77.1 | 26% | 0.26 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 140.5 | 178.2 | -173.5 | 173.9 | -178.8 | -161.8 | 1.3 | 110.3 | A395 M397 D434 | A395-R428 HydrophobicContact CB-CG 4.23Å; M397-R428 HydrophobicContact SD-CB 3.89Å; M397-R428 HydrophobicContact SD-CG 4.47Å; R428-D434 IonicContact NH2-OD1 3.72Å |
| 429 | L | 69.8 | Low | 51.1 | Low | 7 Ų | 7 | 74.8 Ų | 74.8 | 4% | 0.037 | 41% | 0.41 | C | S | . | . | trans | -90 | 142.2 | 167.4 | -60.6 | 178.5 | 0 | 0 | 0 | 109.6 | T372 E396 L398 I465 Q467 Y475 | T372-L429 HydrophobicContact CG2-CD1 3.83Å; E396-L429 HydrophobicContact CB-CB 4.09Å; E396-L429 HydrophobicContact CB-CD1 4.03Å; E396-L429 HydrophobicContact CB-CG 4.43Å; E396-L429 PolarHBondContact O-N 2.69Å; L398-L429 HydrophobicContact CB-CD2 4Å; L398-L429 HydrophobicContact CB-CG 4.3Å; L429-I465 HydrophobicContact CD1-CD1 4.29Å; L429-I465 HydrophobicContact CD1-CG2 4.03Å; L429-I465 HydrophobicContact CD2-CD1 4.01Å; L429-Q467 HydrophobicContact CD1-CG 4.1Å; L429-Y475 HydrophobicContact CD2-CE1 4.28Å; L429-Y475 HydrophobicContact CD2-CE2 3.71Å; L429-Y475 WeakPolarHBondContact CD2-OH 2.83Å | ||
| 430 | E | 61.3 | Low | 51 | Low | 80 Ų | 80 | 71.9 Ų | 71.9 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | trans | -108.7 | 110.6 | -174.7 | -63.1 | 166.2 | 153.1 | 0 | 0 | 109.3 | K2 | K2-E430 PolarHBondContact NZ-O 2.75Š| ||
| 431 | G | 52.3 | Low | 50.2 | Low | 22 Ų | 22 | 74.7 Ų | 74.7 | 23% | 0.227 | 39% | 0.393 | C | S | . | . | trans | -142.3 | 4.6 | -180 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 432 | F | 48.5 | Very low | 48.9 | Very low | 116 Ų | 116 | 79.9 Ų | 79.9 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | trans | -140.6 | 137.7 | 178.5 | -92.9 | -90.9 | 0 | 0 | 0 | 111.9 | L437 D469 | F432-L437 HydrophobicContact CD1-CD1 4.15Å; F432-L437 HydrophobicContact CE1-CD1 3.94Å; F432-L437 HydrophobicContact CZ-CD1 4.25Å; F432-D469 HydrophobicContact CE2-CB 4.2Å | ||
| 433 | D | 40.4 | Very low | 48.1 | Very low | 129 Ų | 129 | 76.8 Ų | 76.8 | 69% | 0.69 | 41% | 0.411 | S | S | * | . | trans | -74.4 | 130.5 | 150.2 | -90 | -42.2 | 0 | 0 | 0 | 108.3 | Q435 | D433-Q435 PolarHBondContact O-N 2.85Š| ||
| 434 | D | 39.1 | Very low | 46.8 | Very low | 114 Ų | 114 | 79.5 Ų | 79.5 | 61% | 0.61 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | 13.9 | -171.3 | -70.8 | -54.3 | 0 | 0 | 0 | 114.9 | R428 | R428-D434 IonicContact NH2-OD1 3.72Š|
| 435 | Q | 36.9 | Very low | 45.3 | Very low | 154 Ų | 154 | 85.8 Ų | 85.8 | 72% | 0.72 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -27.6 | -167.9 | -60.8 | -167.4 | 11 | 0 | 0 | 116.2 | D433 | D433-Q435 PolarHBondContact O-N 2.85Š|
| 436 | E | 34.9 | Very low | 44.1 | Very low | 175 Ų | 175 | 87.2 Ų | 87.2 | 82% | 0.818 | 47% | 0.465 | S | S | * | . | trans | -95.9 | -2.1 | -170.2 | -65.7 | -149.7 | 134.6 | 0 | 0 | 115.9 | A438 | E436-A438 VanDerWaalsContact C-N 3.27Å; E436-A438 PolarHBondContact O-N 2.91Å | ||
| 437 | L | 34.7 | Very low | 43.3 | Very low | 59 Ų | 59 | 88 Ų | 88 | 31% | 0.309 | 47% | 0.469 | S | S | . | . | trans | -80.5 | 68.3 | -168.4 | -139.4 | 152.3 | 0 | 0 | 0 | 113.3 | F432 N439 P440 | F432-L437 HydrophobicContact CD1-CD1 4.15Å; F432-L437 HydrophobicContact CE1-CD1 3.94Å; F432-L437 HydrophobicContact CZ-CD1 4.25Å; L437-N439 VanDerWaalsContact C-N 3.26Å; L437-N439 PolarHBondContact O-N 2.77Å; L437-P440 HydrophobicContact CD2-CB 3.93Å | ||
| 438 | A | 31.2 | Very low | 42.8 | Very low | 91 Ų | 91 | 88.5 Ų | 88.5 | 75% | 0.752 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -69.9 | -11 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E436 | E436-A438 VanDerWaalsContact C-N 3.27Å; E436-A438 PolarHBondContact O-N 2.91Å |
| 439 | N | 36.4 | Very low | 42.5 | Very low | 101 Ų | 101 | 88 Ų | 88 | 54% | 0.54 | 47% | 0.474 | S | S | . | . | trans | -149.7 | 85.4 | 178.5 | -107.2 | -43.9 | 0 | 0 | 0 | 112.6 | L437 L441 L442 | L437-N439 VanDerWaalsContact C-N 3.26Å; L437-N439 PolarHBondContact O-N 2.77Å; N439-L441 PolarHBondContact O-N 3Å; N439-L442 HydrophobicContact CB-CD1 4.27Å | ||
| 440 | P | 36.5 | Very low | 42.6 | Very low | 26 Ų | 26 | 88.3 Ų | 88.3 | 17% | 0.169 | 48% | 0.476 | C | S | . | . | G | 310 helix | trans | -65.2 | -17.7 | 176.7 | 25.8 | -34.2 | 0 | 0 | 0 | 113.6 | P392 L437 L442 C443 F444 | P392-P440 HydrophobicContact CG-CB 4.17Å; P392-P440 HydrophobicContact CG-CG 4.19Å; L437-P440 HydrophobicContact CD2-CB 3.93Å; P440-L442 PolarHBondContact O-N 3.48Å; P440-C443 PolarHBondContact O-N 3.43Å; P440-F444 WeakPolarHBondContact O-CD2 3.41Å; P440-F444 VanDerWaalsContact O-CE2 3.26Å; P440-F444 WeakPolarHBondContact O-CE2 3.46Å |
| 441 | L | 34.2 | Very low | 43.3 | Very low | 132 Ų | 132 | 85.1 Ų | 85.1 | 69% | 0.691 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -63.6 | -22.2 | -177.8 | -69.5 | 174.1 | 0 | 0 | 0 | 114.3 | N439 C443 | N439-L441 PolarHBondContact O-N 3Å; L441-C443 VanDerWaalsContact C-N 3.31Å; L441-C443 PolarHBondContact O-N 3.38Å |
| 442 | L | 34.3 | Very low | 44.9 | Very low | 122 Ų | 122 | 85.4 Ų | 85.4 | 64% | 0.639 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -73.3 | -20.6 | -180 | -76 | 163.7 | 0 | 0 | 0 | 113.4 | N439 P440 | N439-L442 HydrophobicContact CB-CD1 4.27Å; P440-L442 PolarHBondContact O-N 3.48Å |
| 443 | C | 39.8 | Very low | 46.7 | Very low | 56 Ų | 56 | 80.4 Ų | 80.4 | 38% | 0.378 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -84.2 | -7.6 | -174.8 | -59.2 | 0 | 0 | 0 | 0 | 114.6 | P440 L441 | P440-C443 PolarHBondContact O-N 3.43Å; L441-C443 VanDerWaalsContact C-N 3.31Å; L441-C443 PolarHBondContact O-N 3.38Å |
| 444 | F | 35.2 | Very low | 48.8 | Very low | 86 Ų | 86 | 77 Ų | 77 | 38% | 0.377 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -90.5 | -11.4 | -164 | -79.2 | -78.7 | 0 | 0 | 0 | 116.7 | N340 P440 | N340-F444 HydrophobicContact CB-CE1 4.46Å; P440-F444 WeakPolarHBondContact O-CD2 3.41Å; P440-F444 VanDerWaalsContact O-CE2 3.26Å; P440-F444 WeakPolarHBondContact O-CE2 3.46Å |
| 445 | N | 31.6 | Very low | 50.8 | Low | 156 Ų | 156 | 72.8 Ų | 72.8 | 83% | 0.834 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -119.5 | 0.7 | -168.3 | -71.7 | -24.8 | 0 | 0 | 0 | 115.4 | ||
| 446 | T | 38.3 | Very low | 52.9 | Low | 59 Ų | 59 | 65.6 Ų | 65.6 | 36% | 0.362 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -131.7 | 119.7 | -178.3 | 53.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 447 | I | 47.7 | Very low | 54.4 | Low | 82 Ų | 82 | 58.1 Ų | 58.1 | 42% | 0.421 | 33% | 0.329 | S | S | . | . | trans | -57.6 | 130.3 | 167.4 | -58 | 172.8 | 0 | 0 | 0 | 107.4 | P292 T449 | P292-I447 HydrophobicContact CG-CD1 4.16Å; I447-T449 PolarHBondContact O-N 3.39Å | ||
| 448 | P | 51.5 | Low | 56.1 | Low | 23 Ų | 23 | 58.8 Ų | 58.8 | 15% | 0.149 | 33% | 0.333 | C | S | . | . | trans | -68.8 | 99.5 | 177.8 | 27.8 | -33.9 | 0 | 0 | 0 | 110.3 | N450 A451 | P448-N450 PolarHBondContact O-N 2.96Å; P448-N450 VanDerWaalsContact O-N 3.09Å; P448-A451 HydrophobicContact CB-CB 4.36Å; P448-A451 HydrophobicContact CG-CB 4.19Å; P448-A451 PolarHBondContact O-N 3.32Å | ||
| 449 | T | 57.9 | Low | 58 | Low | 58 Ų | 58 | 57.4 Ų | 57.4 | 36% | 0.356 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -30.6 | -169.6 | 44.9 | 0 | 0 | 0 | 0 | 114.7 | D32 I447 | D32-T449 WeakPolarHBondContact OD2-CG2 3.48Å; I447-T449 PolarHBondContact O-N 3.39Å |
| 450 | N | 71.8 | Confident | 59.4 | Low | 13 Ų | 13 | 55.4 Ų | 55.4 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 3.8 | -171.8 | -54.7 | -35.6 | 0 | 0 | 0 | 113.8 | F9 H11 A29 P448 S452 T466 | F9-N450 WeakPolarHBondContact CE1-ND2 3.28Å; F9-N450 WeakPolarHBondContact CZ-ND2 3.26Å; H11-N450 PolarHBondContact CE1-OD1 2.91Å; H11-N450 PolarHBondContact NE2-OD1 3.48Å; A29-N450 VanDerWaalsContact CB-ND2 3.29Å; A29-N450 WeakPolarHBondContact CB-ND2 3.45Å; A29-N450 WeakPolarHBondContact CB-OD1 3.49Å; P448-N450 PolarHBondContact O-N 2.96Å; P448-N450 VanDerWaalsContact O-N 3.09Å; N450-S452 PolarHBondContact O-N 3.43Å; N450-T466 WeakPolarHBondContact O-CB 3.13Å; N450-T466 PolarHBondContact O-OG1 2.82Å |
| 451 | A | 76.7 | Confident | 60.9 | Low | 13 Ų | 13 | 56 Ų | 56 | 11% | 0.107 | 31% | 0.305 | C | S | . | . | trans | -74.2 | 124.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N345 P448 T466 | N345-A451 HydrophobicContact CB-CB 3.91Å; P448-A451 HydrophobicContact CB-CB 4.36Å; P448-A451 HydrophobicContact CG-CB 4.19Å; P448-A451 PolarHBondContact O-N 3.32Å; A451-T466 VanDerWaalsContact CA-O 3.32Å; A451-T466 WeakPolarHBondContact CA-O 3.49Å | ||
| 452 | S | 84.6 | Confident | 63.1 | Low | 28 Ų | 28 | 50.2 Ų | 50.2 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 153.5 | -174.8 | 81.4 | 0 | 0 | 0 | 0 | 113.7 | N450 I465 T466 | N450-S452 PolarHBondContact O-N 3.43Å; S452-I465 CarbonylContact O-C 3.57Å; S452-I465 WeakPolarHBondContact O-CA 3.46Å; S452-T466 WeakPolarHBondContact CB-OG1 3.47Å; S452-T466 PolarHBondContact N-O 3.09Å; S452-T466 VanDerWaalsContact N-O 3.12Å; S452-T466 PolarHBondContact N-OG1 2.94Å; S452-T466 PolarHBondContact O-N 3.22Å; S452-T466 PolarHBondContact OG-OG1 3.01Å |
| 453 | I | 86.8 | Confident | 65.5 | Low | 11 Ų | 11 | 44.4 Ų | 44.4 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 129.9 | 168.3 | -66.7 | 155.5 | 0 | 0 | 0 | 108.7 | S346 C348 I370 M371 T372 L398 C464 I465 | S346-I453 WeakPolarHBondContact OG-CD1 3.34Å; S346-I453 WeakPolarHBondContact OG-CG1 3.3Å; S346-I453 PolarHBondContact OG-N 3.41Å; C348-I453 HydrophobicContact CB-CB 3.94Å; C348-I453 HydrophobicContact CB-CG2 3.74Å; C348-I453 PolarHBondContact SG-O 3.03Å; I370-I453 HydrophobicContact CB-CG2 4.45Å; I370-I453 HydrophobicContact CG2-CD1 3.81Å; I370-I453 HydrophobicContact CG2-CG2 4.16Å; M371-I453 VanDerWaalsContact C-CD1 3.41Å; T372-I453 HydrophobicContact CG2-CD1 3.92Å; T372-I453 HydrophobicContact CG2-CG1 4.12Å; L398-I453 HydrophobicContact CD1-CD1 4.45Å; I453-C464 WeakPolarHBondContact CA-O 3.37Å; I453-I465 HydrophobicContact CG1-CG1 4.35Å; I453-I465 HydrophobicContact CG1-CG2 4.49Å |
| 454 | Q | 84.7 | Confident | 67.8 | Low | 58 Ų | 58 | 41.8 Ų | 41.8 | 27% | 0.271 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 131.2 | 174.4 | -57.9 | -176.2 | 23.5 | 0 | 0 | 110.6 | S12 C464 | S12-Q454 PolarHBondContact O-NE2 3.45Å; S12-Q454 PolarHBondContact OG-NE2 2.93Å; Q454-C464 PolarHBondContact N-O 3.35Å; Q454-C464 WeakPolarHBondContact O-CB 3.48Å; Q454-C464 PolarHBondContact O-N 2.74Å |
| 455 | W | 80.6 | Confident | 70.2 | Confident | 26 Ų | 26 | 37.7 Ų | 37.7 | 10% | 0.098 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 136 | 170.6 | -70.7 | 95.6 | 0 | 0 | 0 | 110.6 | W349 I351 I370 P457 P460 I463 L477 | W349-W455 PolarHBondContact O-NE1 3.22Å; W349-W455 VanDerWaalsContact O-NE1 3.15Å; I351-W455 HydrophobicContact CD1-CB 3.54Å; I351-W455 HydrophobicContact CD1-CG 4.4Å; I351-W455 HydrophobicContact CG1-CB 3.9Å; I351-W455 HydrophobicContact CG1-CG 4.24Å; I370-W455 HydrophobicContact CD1-CH2 3.63Å; I370-W455 HydrophobicContact CD1-CZ2 3.29Å; I370-W455 HydrophobicContact CD1-CZ3 4.46Å; I370-W455 HydrophobicContact CG1-CZ2 3.95Å; W455-P457 WeakPolarHBondContact O-CD 3.22Å; W455-P460 VanDerWaalsContact CZ3-O 3.3Å; W455-P460 WeakPolarHBondContact CZ3-O 3.38Å; W455-I463 HydrophobicContact CD2-CG2 3.81Å; W455-I463 HydrophobicContact CE3-CG2 3.51Å; W455-I463 HydrophobicContact CG-CG2 4.47Å; W455-I463 HydrophobicContact CH2-CG2 4.3Å; W455-I463 HydrophobicContact CZ3-CG2 3.77Å; W455-L477 HydrophobicContact CH2-CD1 3.87Å; W455-L477 HydrophobicContact CZ3-CD1 3.9Å |
| 456 | I | 81.9 | Confident | 72.7 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.015 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 124.8 | -176.2 | -51.7 | -172.9 | 0 | 0 | 0 | 110.7 | W14 T22 F54 H459 L462 C464 L474 | W14-I456 HydrophobicContact CD2-CG2 4.24Å; W14-I456 HydrophobicContact CE3-CG2 3.95Å; W14-I456 HydrophobicContact CH2-CD1 3.95Å; W14-I456 HydrophobicContact CH2-CG1 4.3Å; W14-I456 HydrophobicContact CH2-CG2 4.07Å; W14-I456 HydrophobicContact CZ2-CD1 3.92Å; W14-I456 HydrophobicContact CZ2-CG1 3.95Å; W14-I456 HydrophobicContact CZ2-CG2 4.36Å; W14-I456 HydrophobicContact CZ3-CG2 3.85Å; T22-I456 HydrophobicContact CG2-CG2 3.92Å; F54-I456 HydrophobicContact CD1-CG2 4.47Å; F54-I456 HydrophobicContact CE1-CD1 4.36Å; F54-I456 HydrophobicContact CE1-CG2 4.43Å; F54-I456 HydrophobicContact CZ-CD1 4.49Å; I456-H459 HydrophobicContact CB-CB 4.35Å; I456-H459 HydrophobicContact CG2-CB 4.4Å; I456-H459 CarbonylContact O-C 3.57Å; I456-H459 PolarHBondContact O-N 3.45Å; I456-H459 VanDerWaalsContact O-N 3.13Å; I456-L462 HydrophobicContact CB-CB 4.22Å; I456-L462 HydrophobicContact CD1-CB 3.55Å; I456-L462 HydrophobicContact CD1-CD1 4.13Å; I456-L462 HydrophobicContact CG1-CB 3.96Å; I456-L462 PolarHBondContact N-O 3.16Å; I456-C464 HydrophobicContact CG1-CB 4.41Å; I456-L474 HydrophobicContact CD1-CD1 3.83Å; I456-L474 HydrophobicContact CD1-CD2 3.92Å; I456-L474 HydrophobicContact CD1-CG 4.33Å |
| 457 | P | 67.2 | Low | 74.6 | Confident | 18 Ų | 18 | 27.9 Ų | 27.9 | 12% | 0.117 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 143.6 | 170.6 | -28.2 | 38.6 | 0 | 0 | 0 | 112.2 | W14 S15 L17 T22 W455 H459 | W14-P457 HydrophobicContact CB-CG 3.74Å; W14-P457 HydrophobicContact CG-CG 4.48Å; S15-P457 WeakPolarHBondContact O-CG 3.17Å; L17-P457 HydrophobicContact CD2-CB 3.72Å; L17-P457 HydrophobicContact CG-CB 4.22Å; T22-P457 PolarHBondContact OG1-O 2.88Å; W455-P457 WeakPolarHBondContact O-CD 3.22Å; P457-H459 PolarHBondContact O-N 2.93Å |
| 458 | N | 68.7 | Low | 75.6 | Confident | 73 Ų | 73 | 24.3 Ų | 24.3 | 39% | 0.39 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | -11.7 | -173.1 | -54.8 | -36.8 | 0 | 0 | 0 | 116.3 | L17 C19 T22 | L17-N458 WeakPolarHBondContact CD2-OD1 3.21Å; C19-N458 PolarHBondContact O-ND2 2.83Å; T22-N458 PolarHBondContact OG1-ND2 3.4Å |
| 459 | H | 72.9 | Confident | 76.3 | Confident | 62 Ų | 62 | 25.2 Ų | 25.2 | 29% | 0.287 | 14% | 0.14 | S | C | . | . | trans | -128.8 | 78.8 | -174.6 | -64.2 | -74.7 | 0 | 0 | 0 | 113.4 | I456 P457 N461 L462 | I456-H459 HydrophobicContact CB-CB 4.35Å; I456-H459 HydrophobicContact CG2-CB 4.4Å; I456-H459 CarbonylContact O-C 3.57Å; I456-H459 PolarHBondContact O-N 3.45Å; I456-H459 VanDerWaalsContact O-N 3.13Å; P457-H459 PolarHBondContact O-N 2.93Å; H459-N461 PolarHBondContact O-N 3.15Å; H459-L462 HydrophobicContact CB-CB 4.15Å; H459-L462 HydrophobicContact CB-CD1 3.76Å; H459-L462 HydrophobicContact CB-CG 3.91Å; H459-L462 PolarHBondContact O-N 2.98Å | ||
| 460 | P | 64.2 | Low | 76.9 | Confident | 58 Ų | 58 | 22.9 Ų | 22.9 | 38% | 0.377 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -4.3 | -174.2 | 28.9 | -37.3 | 0 | 0 | 0 | 115.5 | W455 | W455-P460 VanDerWaalsContact CZ3-O 3.3Å; W455-P460 WeakPolarHBondContact CZ3-O 3.38Å |
| 461 | N | 69 | Low | 77.1 | Confident | 40 Ų | 40 | 25.4 Ų | 25.4 | 21% | 0.214 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -5.8 | 175.2 | -59.4 | 22.1 | 0 | 0 | 0 | 112.5 | H459 L477 S478 W613 | H459-N461 PolarHBondContact O-N 3.15Å; N461-L477 PolarHBondContact O-N 3.43Å; N461-S478 WeakPolarHBondContact ND2-CB 3.41Å; N461-S478 PolarHBondContact ND2-OG 3.03Å; N461-W613 PolarHBondContact ND2-NE1 3.33Å; N461-W613 VanDerWaalsContact ND2-NE1 3.2Å; N461-W613 PolarHBondContact OD1-NE1 3.17Å |
| 462 | L | 79.9 | Confident | 77.5 | Confident | 9 Ų | 9 | 24.8 Ų | 24.8 | 5% | 0.047 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 136.9 | -172.9 | -54.5 | -174.6 | 0 | 0 | 0 | 111 | V3 F54 V56 I456 H459 Y475 N476 | V3-L462 HydrophobicContact CG2-CD2 4.17Å; F54-L462 HydrophobicContact CE1-CD1 3.85Å; F54-L462 HydrophobicContact CZ-CD1 3.75Å; V56-L462 HydrophobicContact CG2-CD1 4.3Å; I456-L462 HydrophobicContact CB-CB 4.22Å; I456-L462 HydrophobicContact CD1-CB 3.55Å; I456-L462 HydrophobicContact CD1-CD1 4.13Å; I456-L462 HydrophobicContact CG1-CB 3.96Å; I456-L462 PolarHBondContact N-O 3.16Å; H459-L462 HydrophobicContact CB-CB 4.15Å; H459-L462 HydrophobicContact CB-CD1 3.76Å; H459-L462 HydrophobicContact CB-CG 3.91Å; H459-L462 PolarHBondContact O-N 2.98Å; L462-Y475 WeakPolarHBondContact CA-O 3.46Å; L462-N476 HydrophobicContact CD2-CB 3.48Å; L462-N476 VanDerWaalsContact CD2-CB 3.48Å |
| 463 | I | 84.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 146.3 | 171.1 | 60.9 | 175.8 | 0 | 0 | 0 | 110 | I370 L398 W455 I465 L474 Y475 L477 | I370-I463 HydrophobicContact CD1-CD1 4.31Å; I370-I463 HydrophobicContact CD1-CG2 3.94Å; I370-I463 HydrophobicContact CG2-CD1 4.44Å; L398-I463 HydrophobicContact CD1-CD1 4.08Å; L398-I463 HydrophobicContact CD2-CD1 3.84Å; W455-I463 HydrophobicContact CD2-CG2 3.81Å; W455-I463 HydrophobicContact CE3-CG2 3.51Å; W455-I463 HydrophobicContact CG-CG2 4.47Å; W455-I463 HydrophobicContact CH2-CG2 4.3Å; W455-I463 HydrophobicContact CZ3-CG2 3.77Å; I463-I465 HydrophobicContact CD1-CD1 4.01Å; I463-I465 HydrophobicContact CD1-CG1 4.25Å; I463-I465 HydrophobicContact CG1-CG1 4.41Å; I463-L474 CarbonylContact O-C 3.55Å; I463-L474 WeakPolarHBondContact O-CA 3.43Å; I463-Y475 PolarHBondContact N-O 3.24Å; I463-Y475 PolarHBondContact O-N 2.9Å; I463-L477 HydrophobicContact CD1-CD2 4.11Å; I463-L477 HydrophobicContact CG2-CD1 4.13Å |
| 464 | C | 87.2 | Confident | 77.4 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 132.6 | 169.1 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | W14 I453 Q454 I456 L474 | W14-C464 HydrophobicContact CZ2-CB 3.78Å; I453-C464 WeakPolarHBondContact CA-O 3.37Å; Q454-C464 PolarHBondContact N-O 3.35Å; Q454-C464 WeakPolarHBondContact O-CB 3.48Å; Q454-C464 PolarHBondContact O-N 2.74Å; I456-C464 HydrophobicContact CG1-CB 4.41Å; C464-L474 HydrophobicContact CB-CD2 3.65Å |
| 465 | I | 86 | Confident | 77.2 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 123.9 | 176.3 | -51.6 | -179.7 | 0 | 0 | 0 | 108.2 | T372 L398 L429 S452 I453 I463 Q467 I472 T473 Y475 | T372-I465 HydrophobicContact CG2-CG2 3.94Å; L398-I465 HydrophobicContact CD1-CD1 3.85Å; L398-I465 HydrophobicContact CD2-CD1 4.01Å; L398-I465 HydrophobicContact CG-CD1 4.36Å; L429-I465 HydrophobicContact CD1-CD1 4.29Å; L429-I465 HydrophobicContact CD1-CG2 4.03Å; L429-I465 HydrophobicContact CD2-CD1 4.01Å; S452-I465 CarbonylContact O-C 3.57Å; S452-I465 WeakPolarHBondContact O-CA 3.46Å; I453-I465 HydrophobicContact CG1-CG1 4.35Å; I453-I465 HydrophobicContact CG1-CG2 4.49Å; I463-I465 HydrophobicContact CD1-CD1 4.01Å; I463-I465 HydrophobicContact CD1-CG1 4.25Å; I463-I465 HydrophobicContact CG1-CG1 4.41Å; I465-Q467 HydrophobicContact CG2-CG 4.21Å; I465-I472 WeakPolarHBondContact O-CA 3.29Å; I465-T473 PolarHBondContact N-O 2.94Å; I465-T473 PolarHBondContact O-N 2.99Å; I465-T473 PolarHBondContact O-OG1 3.01Å; I465-Y475 HydrophobicContact CD1-CD2 3.71Å; I465-Y475 HydrophobicContact CD1-CE2 4.04Å; I465-Y475 HydrophobicContact CG1-CD2 4.22Å |
| 466 | T | 84.6 | Confident | 76.9 | Confident | 5 Ų | 5 | 21.9 Ų | 21.9 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 120 | 164 | 57.9 | 0 | 0 | 0 | 0 | 108.1 | S12 N450 A451 S452 I472 | S12-T466 WeakPolarHBondContact OG-CG2 2.91Å; N450-T466 WeakPolarHBondContact O-CB 3.13Å; N450-T466 PolarHBondContact O-OG1 2.82Å; A451-T466 VanDerWaalsContact CA-O 3.32Å; A451-T466 WeakPolarHBondContact CA-O 3.49Å; S452-T466 WeakPolarHBondContact CB-OG1 3.47Å; S452-T466 PolarHBondContact N-O 3.09Å; S452-T466 VanDerWaalsContact N-O 3.12Å; S452-T466 PolarHBondContact N-OG1 2.94Å; S452-T466 PolarHBondContact O-N 3.22Å; S452-T466 PolarHBondContact OG-OG1 3.01Å; T466-I472 HydrophobicContact CG2-CB 4.39Å; T466-I472 HydrophobicContact CG2-CD1 4.17Å; T466-I472 HydrophobicContact CG2-CG1 3.91Å; T466-I472 HydrophobicContact CG2-CG2 4.11Å |
| 467 | Q | 77.7 | Confident | 76.3 | Confident | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.019 | 12% | 0.123 | C | C | . | . | trans | -90.1 | 161.7 | -178.5 | -68 | -179.1 | 65.9 | 0 | 0 | 111.3 | L429 I465 D469 G470 W471 T473 | L429-Q467 HydrophobicContact CD1-CG 4.1Å; I465-Q467 HydrophobicContact CG2-CG 4.21Å; Q467-D469 WeakPolarHBondContact CB-OD1 3.39Å; Q467-D469 PolarHBondContact O-N 3.44Å; Q467-D469 VanDerWaalsContact O-N 3.15Å; Q467-G470 PolarHBondContact O-N 3.35Å; Q467-G470 VanDerWaalsContact O-N 3.08Å; Q467-W471 HydrophobicContact CB-CB 4.47Å; Q467-W471 PolarHBondContact N-O 3.1Å; Q467-T473 PolarHBondContact NE2-OG1 3.49Å; Q467-T473 VanDerWaalsContact NE2-OG1 3.14Å | ||
| 468 | S | 69.8 | Low | 75.9 | Confident | 8 Ų | 8 | 23.6 Ų | 23.6 | 6% | 0.056 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -10.8 | -177.8 | 54.6 | 0 | 0 | 0 | 0 | 116.5 | R33 Y394 E396 | R33-S468 PolarHBondContact NH1-O 2.82Å; R33-S468 PolarHBondContact NH2-O 3.12Å; Y394-S468 PolarHBondContact OH-OG 3.17Å; Y394-S468 VanDerWaalsContact OH-OG 3.07Å; E396-S468 WeakPolarHBondContact OE1-CB 3.27Å; E396-S468 PolarHBondContact OE1-N 2.9Å; E396-S468 PolarHBondContact OE1-OG 3.18Å |
| 469 | D | 65.6 | Low | 75.1 | Confident | 42 Ų | 42 | 21.5 Ų | 21.5 | 23% | 0.225 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -14.4 | 175.9 | 48.4 | 29.8 | 0 | 0 | 0 | 112.8 | F432 Q467 W471 | F432-D469 HydrophobicContact CE2-CB 4.2Å; Q467-D469 WeakPolarHBondContact CB-OD1 3.39Å; Q467-D469 PolarHBondContact O-N 3.44Å; Q467-D469 VanDerWaalsContact O-N 3.15Å; D469-W471 WeakPolarHBondContact OD1-CB 3.28Å; D469-W471 PolarHBondContact OD1-N 3.15Å |
| 470 | G | 70.7 | Confident | 73.8 | Confident | 9 Ų | 9 | 20 Ų | 20 | 9% | 0.093 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 101.4 | 5.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | K8 Q467 I472 | K8-G470 CarbonylContact C-O 3.59Å; K8-G470 PolarHBondContact N-O 2.68Å; K8-G470 VanDerWaalsContact N-O 3.14Å; Q467-G470 PolarHBondContact O-N 3.35Å; Q467-G470 VanDerWaalsContact O-N 3.08Å; G470-I472 PolarHBondContact O-N 3.41Å |
| 471 | W | 76.5 | Confident | 72.7 | Confident | 65 Ų | 65 | 21.2 Ų | 21.2 | 25% | 0.246 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 117.3 | 174.5 | -76.6 | 88 | 0 | 0 | 0 | 111.9 | E5 E7 Q467 D469 T473 | E5-W471 HydrophobicContact CB-CE3 4.34Å; E5-W471 HydrophobicContact CB-CZ3 4.4Å; E5-W471 HydrophobicContact CG-CZ3 4.09Å; E7-W471 HydrophobicContact CB-CD2 4.22Å; E7-W471 HydrophobicContact CB-CE3 4.08Å; E7-W471 HydrophobicContact CB-CH2 3.73Å; E7-W471 HydrophobicContact CB-CZ2 3.86Å; E7-W471 HydrophobicContact CB-CZ3 3.85Å; E7-W471 VanDerWaalsContact CD-CZ2 3.43Å; E7-W471 HydrophobicContact CG-CD2 4.31Å; E7-W471 HydrophobicContact CG-CH2 4.1Å; E7-W471 HydrophobicContact CG-CZ2 3.7Å; Q467-W471 HydrophobicContact CB-CB 4.47Å; Q467-W471 PolarHBondContact N-O 3.1Å; D469-W471 WeakPolarHBondContact OD1-CB 3.28Å; D469-W471 PolarHBondContact OD1-N 3.15Å; W471-T473 HydrophobicContact CB-CG2 4.24Å |
| 472 | I | 84.4 | Confident | 71.3 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 110.7 | 171.5 | -48.3 | -167.3 | 0 | 0 | 0 | 107.8 | E5 L6 L24 T26 I465 T466 G470 | E5-I472 CarbonylContact C-O 3.56Å; E5-I472 WeakPolarHBondContact CA-O 3.44Å; L6-I472 HydrophobicContact CB-CB 4.28Å; L6-I472 HydrophobicContact CD2-CD1 4.47Å; L6-I472 PolarHBondContact N-O 2.8Å; L6-I472 WeakPolarHBondContact O-CB 3.34Å; L6-I472 PolarHBondContact O-N 3Å; L24-I472 HydrophobicContact CD2-CG2 4.42Å; T26-I472 HydrophobicContact CG2-CD1 3.9Å; I465-I472 WeakPolarHBondContact O-CA 3.29Å; T466-I472 HydrophobicContact CG2-CB 4.39Å; T466-I472 HydrophobicContact CG2-CD1 4.17Å; T466-I472 HydrophobicContact CG2-CG1 3.91Å; T466-I472 HydrophobicContact CG2-CG2 4.11Å; G470-I472 PolarHBondContact O-N 3.41Å |
| 473 | T | 83.8 | Confident | 69.5 | Low | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129.6 | -167.9 | 43.7 | 0 | 0 | 0 | 0 | 111.7 | E5 I465 Q467 W471 | E5-T473 HydrophobicContact CB-CG2 3.92Å; I465-T473 PolarHBondContact N-O 2.94Å; I465-T473 PolarHBondContact O-N 2.99Å; I465-T473 PolarHBondContact O-OG1 3.01Å; Q467-T473 PolarHBondContact NE2-OG1 3.49Å; Q467-T473 VanDerWaalsContact NE2-OG1 3.14Å; W471-T473 HydrophobicContact CB-CG2 4.24Å |
| 474 | L | 86.6 | Confident | 67.3 | Low | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.9 | 177.4 | -54.4 | -166.8 | 0 | 0 | 0 | 110.8 | K2 V3 K4 W14 F54 M63 I456 I463 C464 | K2-L474 CarbonylContact C-O 3.55Å; K2-L474 WeakPolarHBondContact CA-O 3.49Å; V3-L474 HydrophobicContact CB-CB 4.23Å; V3-L474 PolarHBondContact N-O 3.28Å; K4-L474 HydrophobicContact CB-CD1 4.17Å; K4-L474 HydrophobicContact CB-CG 4.39Å; K4-L474 PolarHBondContact O-N 2.98Å; W14-L474 HydrophobicContact CH2-CD1 4.21Å; W14-L474 HydrophobicContact CH2-CD2 4.16Å; W14-L474 HydrophobicContact CZ2-CD2 3.77Å; F54-L474 HydrophobicContact CD2-CD1 3.77Å; F54-L474 HydrophobicContact CE2-CD1 3.25Å; F54-L474 HydrophobicContact CZ-CD1 3.69Å; M63-L474 HydrophobicContact CE-CD1 3.55Å; M63-L474 HydrophobicContact CE-CD2 4.02Å; M63-L474 HydrophobicContact CE-CG 3.63Å; I456-L474 HydrophobicContact CD1-CD1 3.83Å; I456-L474 HydrophobicContact CD1-CD2 3.92Å; I456-L474 HydrophobicContact CD1-CG 4.33Å; I463-L474 CarbonylContact O-C 3.55Å; I463-L474 WeakPolarHBondContact O-CA 3.43Å; C464-L474 HydrophobicContact CB-CD2 3.65Å |
| 475 | Y | 78.9 | Confident | 65.3 | Low | 22 Ų | 22 | 41.1 Ų | 41.1 | 9% | 0.086 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 126 | 177.5 | -74.1 | -95.6 | 0 | 0 | 0 | 111.8 | M1 K2 L429 L462 I463 I465 | M1-Y475 WeakPolarHBondContact O-CA 3.4Å; K2-Y475 WeakPolarHBondContact CE-OH 3.49Å; K2-Y475 HydrophobicContact CG-CD1 4.39Å; K2-Y475 HydrophobicContact CG-CE1 3.74Å; K2-Y475 HydrophobicContact CG-CE2 4.46Å; L429-Y475 HydrophobicContact CD2-CE1 4.28Å; L429-Y475 HydrophobicContact CD2-CE2 3.71Å; L429-Y475 WeakPolarHBondContact CD2-OH 2.83Å; L462-Y475 WeakPolarHBondContact CA-O 3.46Å; I463-Y475 PolarHBondContact N-O 3.24Å; I463-Y475 PolarHBondContact O-N 2.9Å; I465-Y475 HydrophobicContact CD1-CD2 3.71Å; I465-Y475 HydrophobicContact CD1-CE2 4.04Å; I465-Y475 HydrophobicContact CG1-CD2 4.22Å |
| 476 | N | 74.6 | Confident | 62.9 | Low | 39 Ų | 39 | 44.3 Ų | 44.3 | 21% | 0.209 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 119.8 | 165.5 | -173.8 | -13.6 | 0 | 0 | 0 | 109.7 | M1 V3 L462 S478 S479 | M1-N476 PolarHBondContact N-O 2.96Å; M1-N476 PolarHBondContact O-N 2.93Å; V3-N476 HydrophobicContact CG2-CB 3.56Å; L462-N476 HydrophobicContact CD2-CB 3.48Å; L462-N476 VanDerWaalsContact CD2-CB 3.48Å; N476-S478 WeakPolarHBondContact OD1-CA 3.37Å; N476-S478 PolarHBondContact OD1-N 2.98Å; N476-S478 PolarHBondContact OD1-OG 3.46Å; N476-S479 PolarHBondContact O-OG 3.1Å; N476-S479 PolarHBondContact OD1-N 3.38Å |
| 477 | L | 68.7 | Low | 61 | Low | 33 Ų | 33 | 50.2 Ų | 50.2 | 17% | 0.173 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -79.7 | -21.1 | 177.7 | -62.6 | 175.1 | 0 | 0 | 0 | 112.7 | I370 W455 N461 I463 | I370-L477 HydrophobicContact CD1-CD1 4.09Å; W455-L477 HydrophobicContact CH2-CD1 3.87Å; W455-L477 HydrophobicContact CZ3-CD1 3.9Å; N461-L477 PolarHBondContact O-N 3.43Å; I463-L477 HydrophobicContact CD1-CD2 4.11Å; I463-L477 HydrophobicContact CG2-CD1 4.13Å |
| 478 | S | 59.3 | Low | 59.5 | Low | 24 Ų | 24 | 54.2 Ų | 54.2 | 17% | 0.168 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -91.3 | -6 | -176.1 | 66.2 | 0 | 0 | 0 | 0 | 115.1 | N461 N476 G480 | N461-S478 WeakPolarHBondContact ND2-CB 3.41Å; N461-S478 PolarHBondContact ND2-OG 3.03Å; N476-S478 WeakPolarHBondContact OD1-CA 3.37Å; N476-S478 PolarHBondContact OD1-N 2.98Å; N476-S478 PolarHBondContact OD1-OG 3.46Å; S478-G480 VanDerWaalsContact C-N 3.25Å; S478-G480 PolarHBondContact O-N 3Å; S478-G480 VanDerWaalsContact O-N 3.16Å |
| 479 | S | 52.9 | Low | 58.1 | Low | 29 Ų | 29 | 55.8 Ų | 55.8 | 20% | 0.203 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -8.5 | -170 | 61.4 | 0 | 0 | 0 | 0 | 116.1 | M1 N476 | M1-S479 WeakPolarHBondContact CB-OG 3.33Å; M1-S479 PolarHBondContact N-OG 3.27Å; N476-S479 PolarHBondContact O-OG 3.1Å; N476-S479 PolarHBondContact OD1-N 3.38Å |
| 480 | G | 45.4 | Very low | 57.4 | Low | 32 Ų | 32 | 58.3 Ų | 58.3 | 33% | 0.33 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -6.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | S478 N482 | S478-G480 VanDerWaalsContact C-N 3.25Å; S478-G480 PolarHBondContact O-N 3Å; S478-G480 VanDerWaalsContact O-N 3.16Å; G480-N482 VanDerWaalsContact C-N 3.32Å; G480-N482 PolarHBondContact O-N 3.26Å |
| 481 | I | 41.4 | Very low | 56.1 | Low | 82 Ų | 82 | 61.7 Ų | 61.7 | 42% | 0.421 | 31% | 0.311 | S | S | . | . | trans | -89.3 | 5.4 | -163.4 | -50.4 | 173.4 | 0 | 0 | 0 | 112.7 | K483 L614 | I481-K483 PolarHBondContact O-N 3.46Å; I481-L614 HydrophobicContact CD1-CD1 4.14Å; I481-L614 HydrophobicContact CD1-CD2 3.83Å; I481-L614 HydrophobicContact CG2-CD2 4.49Å | ||
| 482 | N | 39.4 | Very low | 54.6 | Low | 85 Ų | 85 | 65.7 Ų | 65.7 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | trans | -86.4 | 106.6 | -174.6 | -165.1 | 3.2 | 0 | 0 | 0 | 111.4 | G480 Q484 I485 E486 | G480-N482 VanDerWaalsContact C-N 3.32Å; G480-N482 PolarHBondContact O-N 3.26Å; N482-Q484 PolarHBondContact O-N 3.09Å; N482-I485 HydrophobicContact CB-CB 4.39Å; N482-I485 HydrophobicContact CB-CD1 4.16Å; N482-I485 HydrophobicContact CB-CG1 4.31Å; N482-I485 CarbonylContact O-C 3.52Å; N482-I485 WeakPolarHBondContact O-CA 3.38Å; N482-I485 WeakPolarHBondContact O-CB 3.43Å; N482-I485 PolarHBondContact O-N 3.21Å; N482-E486 PolarHBondContact O-N 2.55Å | ||
| 483 | K | 40.8 | Very low | 52.6 | Low | 161 Ų | 161 | 72.1 Ų | 72.1 | 70% | 0.7 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -51.2 | -32.3 | -169.7 | -73.2 | -165.9 | 170.1 | -167.2 | 0 | 116.2 | I481 E486 Q487 | I481-K483 PolarHBondContact O-N 3.46Å; K483-E486 WeakPolarHBondContact O-CB 3.2Å; K483-Q487 WeakPolarHBondContact O-CB 3.36Å; K483-Q487 PolarHBondContact O-N 2.6Å |
| 484 | Q | 39.9 | Very low | 50.7 | Low | 148 Ų | 148 | 75 Ų | 75 | 69% | 0.692 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -70 | -38.9 | 175.9 | -70.6 | 175.5 | -28.9 | 0 | 0 | 111.7 | N482 L488 | N482-Q484 PolarHBondContact O-N 3.09Å; Q484-L488 WeakPolarHBondContact O-CB 3.47Å; Q484-L488 VanDerWaalsContact O-CG 3.31Å; Q484-L488 WeakPolarHBondContact O-CG 3.3Å; Q484-L488 PolarHBondContact O-N 3.25Å |
| 485 | I | 43.3 | Very low | 48.6 | Very low | 75 Ų | 75 | 80.6 Ų | 80.6 | 39% | 0.385 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -73.3 | -36.3 | 174.2 | -57.9 | 178.9 | 0 | 0 | 0 | 110.1 | N482 L488 N489 | N482-I485 HydrophobicContact CB-CB 4.39Å; N482-I485 HydrophobicContact CB-CD1 4.16Å; N482-I485 HydrophobicContact CB-CG1 4.31Å; N482-I485 CarbonylContact O-C 3.52Å; N482-I485 WeakPolarHBondContact O-CA 3.38Å; N482-I485 WeakPolarHBondContact O-CB 3.43Å; N482-I485 PolarHBondContact O-N 3.21Å; I485-L488 PolarHBondContact O-N 3.46Å; I485-N489 WeakPolarHBondContact O-CB 3.47Å; I485-N489 PolarHBondContact O-N 3.36Å |
| 486 | E | 37.6 | Very low | 46.7 | Very low | 67 Ų | 67 | 84.1 Ų | 84.1 | 31% | 0.313 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.9 | -49.8 | 171.1 | -173.2 | -178.1 | -162.5 | 0 | 0 | 110.8 | N482 K483 N489 I490 | N482-E486 PolarHBondContact O-N 2.55Å; K483-E486 WeakPolarHBondContact O-CB 3.2Å; E486-N489 PolarHBondContact O-N 2.84Å; E486-I490 HydrophobicContact CG-CD1 4.02Å; E486-I490 WeakPolarHBondContact O-CB 3.45Å; E486-I490 VanDerWaalsContact O-CG1 3.25Å; E486-I490 WeakPolarHBondContact O-CG1 3.43Å; E486-I490 PolarHBondContact O-N 3.35Å |
| 487 | Q | 42.7 | Very low | 45.1 | Very low | 128 Ų | 128 | 84.2 Ų | 84.2 | 60% | 0.598 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -65.4 | -42.6 | 177.7 | -167.7 | 168.1 | 2.4 | 0 | 0 | 112.2 | K483 N489 I490 E491 | K483-Q487 WeakPolarHBondContact O-CB 3.36Å; K483-Q487 PolarHBondContact O-N 2.6Å; Q487-N489 PolarHBondContact O-N 2.89Å; Q487-I490 PolarHBondContact O-N 3.04Å; Q487-E491 WeakPolarHBondContact O-CB 3.44Å; Q487-E491 PolarHBondContact O-N 3.04Å |
| 488 | L | 46.4 | Very low | 43.8 | Very low | 88 Ų | 88 | 86.7 Ų | 86.7 | 46% | 0.461 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65 | -34.9 | 173.8 | -78.2 | 166.2 | 0 | 0 | 0 | 113.1 | Q484 I485 R492 | Q484-L488 WeakPolarHBondContact O-CB 3.47Å; Q484-L488 VanDerWaalsContact O-CG 3.31Å; Q484-L488 WeakPolarHBondContact O-CG 3.3Å; Q484-L488 PolarHBondContact O-N 3.25Å; I485-L488 PolarHBondContact O-N 3.46Å; L488-R492 VanDerWaalsContact O-CB 3.32Å; L488-R492 WeakPolarHBondContact O-CB 3.28Å; L488-R492 WeakPolarHBondContact O-CD 3.14Å; L488-R492 WeakPolarHBondContact O-CG 3.36Å; L488-R492 PolarHBondContact O-N 3.32Å |
| 489 | N | 42.2 | Very low | 42.9 | Very low | 42 Ų | 42 | 91.2 Ų | 91.2 | 23% | 0.225 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -77.3 | -35.4 | 177.3 | -75.5 | -7.7 | 0 | 0 | 0 | 111.5 | I485 E486 Q487 E491 R492 Y493 | I485-N489 WeakPolarHBondContact O-CB 3.47Å; I485-N489 PolarHBondContact O-N 3.36Å; E486-N489 PolarHBondContact O-N 2.84Å; Q487-N489 PolarHBondContact O-N 2.89Å; N489-E491 VanDerWaalsContact C-N 3.34Å; N489-R492 PolarHBondContact O-N 3.42Å; N489-Y493 WeakPolarHBondContact O-CB 3.44Å; N489-Y493 PolarHBondContact O-N 2.89Å |
| 490 | I | 48.9 | Very low | 42.2 | Very low | 95 Ų | 95 | 91.1 Ų | 91.1 | 49% | 0.487 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | 169.1 | -70.3 | 166 | 0 | 0 | 0 | 109.9 | E486 Q487 T494 | E486-I490 HydrophobicContact CG-CD1 4.02Å; E486-I490 WeakPolarHBondContact O-CB 3.45Å; E486-I490 VanDerWaalsContact O-CG1 3.25Å; E486-I490 WeakPolarHBondContact O-CG1 3.43Å; E486-I490 PolarHBondContact O-N 3.35Å; Q487-I490 PolarHBondContact O-N 3.04Å; I490-T494 HydrophobicContact CG2-CG2 4.44Å; I490-T494 VanDerWaalsContact O-CB 3.32Å; I490-T494 WeakPolarHBondContact O-CB 3.39Å; I490-T494 WeakPolarHBondContact O-CG2 3.33Å; I490-T494 PolarHBondContact O-N 3.5Å; I490-T494 PolarHBondContact O-OG1 3.09Å |
| 491 | E | 45.1 | Very low | 41.6 | Very low | 80 Ų | 80 | 95.4 Ų | 95.4 | 37% | 0.374 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 172.6 | -86.6 | -165.7 | -140.1 | 0 | 0 | 112.9 | Q487 N489 T494 K495 | Q487-E491 WeakPolarHBondContact O-CB 3.44Å; Q487-E491 PolarHBondContact O-N 3.04Å; N489-E491 VanDerWaalsContact C-N 3.34Å; E491-T494 WeakPolarHBondContact CA-OG1 3.46Å; E491-T494 PolarHBondContact O-OG1 3.02Å; E491-K495 WeakPolarHBondContact O-CB 3.33Å; E491-K495 WeakPolarHBondContact O-CD 3.37Å; E491-K495 WeakPolarHBondContact O-CG 3.3Å; E491-K495 PolarHBondContact O-N 3.28Å; E491-K495 IonicContact OE2-NZ 3.7Å; E491-K495 PolarHBondContact OE2-NZ 2.99Å |
| 492 | R | 43.6 | Very low | 41.2 | Very low | 149 Ų | 149 | 95.1 Ų | 95.1 | 56% | 0.562 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -68.2 | -41.2 | 177.1 | -76.5 | 166.7 | 176.4 | -169.8 | -3.3 | 111.6 | L488 N489 K495 Q496 | L488-R492 VanDerWaalsContact O-CB 3.32Å; L488-R492 WeakPolarHBondContact O-CB 3.28Å; L488-R492 WeakPolarHBondContact O-CD 3.14Å; L488-R492 WeakPolarHBondContact O-CG 3.36Å; L488-R492 PolarHBondContact O-N 3.32Å; N489-R492 PolarHBondContact O-N 3.42Å; R492-K495 PolarHBondContact O-N 3.11Å; R492-Q496 WeakPolarHBondContact O-CB 3.24Å; R492-Q496 WeakPolarHBondContact O-CG 3.48Å; R492-Q496 PolarHBondContact O-N 3.35Å |
| 493 | Y | 43.2 | Very low | 41.1 | Very low | 135 Ų | 135 | 93 Ų | 93 | 53% | 0.529 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.5 | -44.6 | 176.3 | -177.7 | -102.5 | 0 | 0 | 0 | 111.4 | N489 Q496 C497 P603 | N489-Y493 WeakPolarHBondContact O-CB 3.44Å; N489-Y493 PolarHBondContact O-N 2.89Å; Y493-Q496 CarbonylContact O-C 3.55Å; Y493-Q496 PolarHBondContact O-N 3.06Å; Y493-C497 VanDerWaalsContact CE1-SG 3.58Å; Y493-C497 VanDerWaalsContact CZ-SG 3.57Å; Y493-C497 WeakPolarHBondContact O-CB 3.28Å; Y493-C497 PolarHBondContact O-N 3.25Å; Y493-C497 PolarHBondContact O-SG 3.08Å; Y493-P603 HydrophobicContact CD2-CG 4.34Å |
| 494 | T | 43.2 | Very low | 40.7 | Very low | 60 Ų | 60 | 91.9 Ų | 91.9 | 37% | 0.368 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.9 | -37.6 | 172.5 | 50.9 | 0 | 0 | 0 | 0 | 111.6 | I490 E491 Q496 C497 I498 | I490-T494 HydrophobicContact CG2-CG2 4.44Å; I490-T494 VanDerWaalsContact O-CB 3.32Å; I490-T494 WeakPolarHBondContact O-CB 3.39Å; I490-T494 WeakPolarHBondContact O-CG2 3.33Å; I490-T494 PolarHBondContact O-N 3.5Å; I490-T494 PolarHBondContact O-OG1 3.09Å; E491-T494 WeakPolarHBondContact CA-OG1 3.46Å; E491-T494 PolarHBondContact O-OG1 3.02Å; T494-Q496 PolarHBondContact O-N 3.43Å; T494-C497 PolarHBondContact O-N 3.36Å; T494-I498 WeakPolarHBondContact O-CB 3.32Å; T494-I498 WeakPolarHBondContact O-CD1 3.46Å; T494-I498 WeakPolarHBondContact O-CG1 3.35Å; T494-I498 PolarHBondContact O-N 3.44Å |
| 495 | K | 43.9 | Very low | 40.3 | Very low | 118 Ų | 118 | 89.8 Ų | 89.8 | 51% | 0.513 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 170.2 | -76.9 | 162.1 | 180 | 157.3 | 0 | 111.7 | E491 R492 L499 | E491-K495 WeakPolarHBondContact O-CB 3.33Å; E491-K495 WeakPolarHBondContact O-CD 3.37Å; E491-K495 WeakPolarHBondContact O-CG 3.3Å; E491-K495 PolarHBondContact O-N 3.28Å; E491-K495 IonicContact OE2-NZ 3.7Å; E491-K495 PolarHBondContact OE2-NZ 2.99Å; R492-K495 PolarHBondContact O-N 3.11Å; K495-L499 WeakPolarHBondContact O-CB 3.38Å; K495-L499 WeakPolarHBondContact O-CD1 3.48Å; K495-L499 WeakPolarHBondContact O-CG 3.19Å; K495-L499 PolarHBondContact O-N 3.3Å |
| 496 | Q | 39.3 | Very low | 39.9 | Very low | 96 Ų | 96 | 91.7 Ų | 91.7 | 45% | 0.449 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.6 | -42.2 | 173.2 | -80.1 | 178.1 | -18.8 | 0 | 0 | 112.4 | R492 Y493 T494 L499 A500 | R492-Q496 WeakPolarHBondContact O-CB 3.24Å; R492-Q496 WeakPolarHBondContact O-CG 3.48Å; R492-Q496 PolarHBondContact O-N 3.35Å; Y493-Q496 CarbonylContact O-C 3.55Å; Y493-Q496 PolarHBondContact O-N 3.06Å; T494-Q496 PolarHBondContact O-N 3.43Å; Q496-L499 PolarHBondContact O-N 3.29Å; Q496-A500 WeakPolarHBondContact O-CB 3.34Å; Q496-A500 PolarHBondContact O-N 3.15Å |
| 497 | C | 39.6 | Very low | 39.7 | Very low | 42 Ų | 42 | 93.8 Ų | 93.8 | 28% | 0.284 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.3 | -35.5 | 175.3 | -69 | 0 | 0 | 0 | 0 | 112.4 | Y493 T494 A500 Q501 | Y493-C497 VanDerWaalsContact CE1-SG 3.58Å; Y493-C497 VanDerWaalsContact CZ-SG 3.57Å; Y493-C497 WeakPolarHBondContact O-CB 3.28Å; Y493-C497 PolarHBondContact O-N 3.25Å; Y493-C497 PolarHBondContact O-SG 3.08Å; T494-C497 PolarHBondContact O-N 3.36Å; C497-A500 PolarHBondContact O-N 3.14Å; C497-Q501 VanDerWaalsContact O-CB 3.28Å; C497-Q501 WeakPolarHBondContact O-CB 3.43Å; C497-Q501 VanDerWaalsContact O-CG 3.25Å; C497-Q501 WeakPolarHBondContact O-CG 3.48Å; C497-Q501 PolarHBondContact O-N 3.16Å |
| 498 | I | 41.3 | Very low | 39.3 | Very low | 84 Ų | 84 | 92.8 Ų | 92.8 | 43% | 0.431 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -73.9 | -37 | 174.4 | -70.5 | 164.1 | 0 | 0 | 0 | 110.1 | T494 N502 | T494-I498 WeakPolarHBondContact O-CB 3.32Å; T494-I498 WeakPolarHBondContact O-CD1 3.46Å; T494-I498 WeakPolarHBondContact O-CG1 3.35Å; T494-I498 PolarHBondContact O-N 3.44Å; I498-N502 WeakPolarHBondContact CG2-ND2 3.22Å; I498-N502 WeakPolarHBondContact O-CA 3.3Å; I498-N502 WeakPolarHBondContact O-CB 3.49Å; I498-N502 PolarHBondContact O-N 3.11Å; I498-N502 PolarHBondContact O-ND2 3.17Å |
| 499 | L | 40.9 | Very low | 38.6 | Very low | 119 Ų | 119 | 91.6 Ų | 91.6 | 62% | 0.623 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.9 | -39.2 | 170.8 | -77 | 166 | 0 | 0 | 0 | 111.1 | K495 Q496 S503 | K495-L499 WeakPolarHBondContact O-CB 3.38Å; K495-L499 WeakPolarHBondContact O-CD1 3.48Å; K495-L499 WeakPolarHBondContact O-CG 3.19Å; K495-L499 PolarHBondContact O-N 3.3Å; Q496-L499 PolarHBondContact O-N 3.29Å; L499-S503 VanDerWaalsContact O-CB 3.31Å; L499-S503 WeakPolarHBondContact O-CB 3.44Å; L499-S503 PolarHBondContact O-N 2.94Å; L499-S503 PolarHBondContact O-OG 3Å; L499-S503 VanDerWaalsContact O-OG 3.07Å |
| 500 | A | 38.4 | Very low | 37.9 | Very low | 27 Ų | 27 | 96.2 Ų | 96.2 | 22% | 0.223 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -65.6 | -46.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L382 Q496 C497 S503 F504 | L382-A500 HydrophobicContact CD2-CB 3.49Å; L382-A500 VanDerWaalsContact CD2-CB 3.49Å; Q496-A500 WeakPolarHBondContact O-CB 3.34Å; Q496-A500 PolarHBondContact O-N 3.15Å; C497-A500 PolarHBondContact O-N 3.14Å; A500-S503 WeakPolarHBondContact CA-OG 3.46Å; A500-S503 PolarHBondContact O-N 3.09Å; A500-S503 PolarHBondContact O-OG 3.38Å; A500-F504 VanDerWaalsContact O-CB 3.32Å; A500-F504 WeakPolarHBondContact O-CB 3.37Å; A500-F504 PolarHBondContact O-N 3.5Å |
| 501 | Q | 32.6 | Very low | 37 | Very low | 123 Ų | 123 | 101.2 Ų | 101.2 | 58% | 0.575 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.5 | -38.2 | 175.4 | -77.2 | 176.2 | -24.8 | 0 | 0 | 111.6 | C497 F504 N505 | C497-Q501 VanDerWaalsContact O-CB 3.28Å; C497-Q501 WeakPolarHBondContact O-CB 3.43Å; C497-Q501 VanDerWaalsContact O-CG 3.25Å; C497-Q501 WeakPolarHBondContact O-CG 3.48Å; C497-Q501 PolarHBondContact O-N 3.16Å; Q501-F504 WeakPolarHBondContact O-CB 3.35Å; Q501-F504 PolarHBondContact O-N 3.31Å; Q501-N505 WeakPolarHBondContact O-CB 3.42Å; Q501-N505 PolarHBondContact O-N 3.32Å; Q501-N505 PolarHBondContact O-ND2 2.89Å; Q501-N505 VanDerWaalsContact O-ND2 3.16Å |
| 502 | N | 32.1 | Very low | 36.2 | Very low | 76 Ų | 76 | 104.1 Ų | 104.1 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.6 | -35.5 | 175.2 | -71.7 | -16 | 0 | 0 | 0 | 111.5 | I498 F504 N505 L506 | I498-N502 WeakPolarHBondContact CG2-ND2 3.22Å; I498-N502 WeakPolarHBondContact O-CA 3.3Å; I498-N502 WeakPolarHBondContact O-CB 3.49Å; I498-N502 PolarHBondContact O-N 3.11Å; I498-N502 PolarHBondContact O-ND2 3.17Å; N502-F504 VanDerWaalsContact C-N 3.32Å; N502-N505 PolarHBondContact O-N 3.43Å; N502-L506 WeakPolarHBondContact O-CB 3.35Å; N502-L506 WeakPolarHBondContact O-CD1 3.35Å; N502-L506 VanDerWaalsContact O-CG 3.22Å; N502-L506 WeakPolarHBondContact O-CG 3.48Å; N502-L506 PolarHBondContact O-N 2.69Å |
| 503 | S | 37.8 | Very low | 35.5 | Very low | 40 Ų | 40 | 101.4 Ų | 101.4 | 28% | 0.28 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68 | -33.6 | 170.1 | 62.7 | 0 | 0 | 0 | 0 | 111.4 | L499 A500 H507 | L499-S503 VanDerWaalsContact O-CB 3.31Å; L499-S503 WeakPolarHBondContact O-CB 3.44Å; L499-S503 PolarHBondContact O-N 2.94Å; L499-S503 PolarHBondContact O-OG 3Å; L499-S503 VanDerWaalsContact O-OG 3.07Å; A500-S503 WeakPolarHBondContact CA-OG 3.46Å; A500-S503 PolarHBondContact O-N 3.09Å; A500-S503 PolarHBondContact O-OG 3.38Å; S503-H507 VanDerWaalsContact O-CB 3.25Å; S503-H507 WeakPolarHBondContact O-CB 3.4Å; S503-H507 PolarHBondContact O-CD2 3.08Å; S503-H507 PolarHBondContact O-N 3.27Å |
| 504 | F | 32 | Very low | 34.8 | Very low | 138 Ų | 138 | 104.6 Ų | 104.6 | 61% | 0.605 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.1 | -44.3 | 172.3 | -153.1 | -97.8 | 0 | 0 | 0 | 110.9 | A500 Q501 N502 N508 | A500-F504 VanDerWaalsContact O-CB 3.32Å; A500-F504 WeakPolarHBondContact O-CB 3.37Å; A500-F504 PolarHBondContact O-N 3.5Å; Q501-F504 WeakPolarHBondContact O-CB 3.35Å; Q501-F504 PolarHBondContact O-N 3.31Å; N502-F504 VanDerWaalsContact C-N 3.32Å; F504-N508 WeakPolarHBondContact O-CB 3.21Å; F504-N508 VanDerWaalsContact O-CG 3.27Å; F504-N508 PolarHBondContact O-N 2.75Å; F504-N508 PolarHBondContact O-ND2 3.34Å |
| 505 | N | 33.2 | Very low | 34.1 | Very low | 103 Ų | 103 | 106.3 Ų | 106.3 | 55% | 0.551 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.4 | -35.3 | 176.5 | -68.9 | -28.3 | 0 | 0 | 0 | 112.8 | Q501 N502 | Q501-N505 WeakPolarHBondContact O-CB 3.42Å; Q501-N505 PolarHBondContact O-N 3.32Å; Q501-N505 PolarHBondContact O-ND2 2.89Å; Q501-N505 VanDerWaalsContact O-ND2 3.16Å; N502-N505 PolarHBondContact O-N 3.43Å |
| 506 | L | 33.6 | Very low | 33.4 | Very low | 116 Ų | 116 | 110 Ų | 110 | 61% | 0.607 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -76.5 | -37.7 | 176.1 | -75.8 | 162.7 | 0 | 0 | 0 | 112.3 | N502 N508 S509 | N502-L506 WeakPolarHBondContact O-CB 3.35Å; N502-L506 WeakPolarHBondContact O-CD1 3.35Å; N502-L506 VanDerWaalsContact O-CG 3.22Å; N502-L506 WeakPolarHBondContact O-CG 3.48Å; N502-L506 PolarHBondContact O-N 2.69Å; L506-N508 VanDerWaalsContact C-N 3.33Å; L506-S509 WeakPolarHBondContact O-CA 3.39Å; L506-S509 WeakPolarHBondContact O-CB 3.47Å; L506-S509 PolarHBondContact O-N 3.14Å; L506-S509 PolarHBondContact O-OG 2.9Å |
| 507 | H | 34.8 | Very low | 32.7 | Very low | 111 Ų | 111 | 113.6 Ų | 113.6 | 51% | 0.514 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -73.4 | -23.7 | 172.8 | -76.7 | -60.4 | 0 | 0 | 0 | 112.9 | S503 S509 N510 | S503-H507 VanDerWaalsContact O-CB 3.25Å; S503-H507 WeakPolarHBondContact O-CB 3.4Å; S503-H507 PolarHBondContact O-CD2 3.08Å; S503-H507 PolarHBondContact O-N 3.27Å; H507-S509 PolarHBondContact O-N 3.21Å; H507-N510 PolarHBondContact O-ND2 3.28Å; H507-N510 PolarHBondContact O-OD1 2.92Å |
| 508 | N | 32.9 | Very low | 32 | Very low | 107 Ų | 107 | 119.1 Ų | 119.1 | 57% | 0.572 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -17.3 | 163.3 | -78.2 | -37 | 0 | 0 | 0 | 112.6 | F504 L506 N510 | F504-N508 WeakPolarHBondContact O-CB 3.21Å; F504-N508 VanDerWaalsContact O-CG 3.27Å; F504-N508 PolarHBondContact O-N 2.75Å; F504-N508 PolarHBondContact O-ND2 3.34Å; L506-N508 VanDerWaalsContact C-N 3.33Å; N508-N510 VanDerWaalsContact C-N 3.3Å; N508-N510 PolarHBondContact O-N 3.04Å |
| 509 | S | 32.1 | Very low | 31.4 | Very low | 63 Ų | 63 | 123.1 Ų | 123.1 | 44% | 0.441 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -86.8 | 64 | 166.4 | 76.8 | 0 | 0 | 0 | 0 | 112.3 | L506 H507 K511 | L506-S509 WeakPolarHBondContact O-CA 3.39Å; L506-S509 WeakPolarHBondContact O-CB 3.47Å; L506-S509 PolarHBondContact O-N 3.14Å; L506-S509 PolarHBondContact O-OG 2.9Å; H507-S509 PolarHBondContact O-N 3.21Å; S509-K511 PolarHBondContact O-N 3.4Å |
| 510 | N | 27.7 | Very low | 30.6 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | trans | -61.4 | 84.4 | 178.6 | -82 | -59.4 | 0 | 0 | 0 | 113 | H507 N508 | H507-N510 PolarHBondContact O-ND2 3.28Å; H507-N510 PolarHBondContact O-OD1 2.92Å; N508-N510 VanDerWaalsContact C-N 3.3Å; N508-N510 PolarHBondContact O-N 3.04Å | ||
| 511 | K | 30 | Very low | 30.1 | Very low | 199 Ų | 199 | 132.6 Ų | 132.6 | 87% | 0.865 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -162.4 | 2.7 | 174.2 | -124.9 | 166.8 | -172.7 | 173.9 | 0 | 119.6 | S509 | S509-K511 PolarHBondContact O-N 3.4Š|
| 512 | I | 28.1 | Very low | 29.7 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 73% | 0.728 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -125.2 | -12.2 | -164 | -66.5 | -179.1 | 0 | 0 | 0 | 115.5 | ||
| 513 | A | 28.7 | Very low | 29.4 | Very low | 92 Ų | 92 | 137 Ų | 137 | 76% | 0.76 | 70% | 0.699 | S | S | * | * | trans | -109.6 | 14.1 | -165.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | V515 | A513-V515 PolarHBondContact O-N 2.93Å; A513-V515 VanDerWaalsContact O-N 3.13Å | ||
| 514 | E | 28.3 | Very low | 28.8 | Very low | 201 Ų | 201 | 141 Ų | 141 | 94% | 0.939 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 23.8 | 174.3 | -64.9 | -173.5 | 123.1 | 0 | 0 | 113.6 | ||
| 515 | V | 29.8 | Very low | 28.6 | Very low | 96 Ų | 96 | 144.1 Ų | 144.1 | 58% | 0.582 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -10.9 | -159.2 | -178.8 | 0 | 0 | 0 | 0 | 114.5 | A513 | A513-V515 PolarHBondContact O-N 2.93Å; A513-V515 VanDerWaalsContact O-N 3.13Å |
| 516 | F | 27.6 | Very low | 28.3 | Very low | 196 Ų | 196 | 144.6 Ų | 144.6 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | trans | -122.1 | 46 | -178.3 | -69 | -73.4 | 0 | 0 | 0 | 114 | ||||
| 517 | H | 26.1 | Very low | 28.1 | Very low | 172 Ų | 172 | 145.5 Ų | 145.5 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -113.8 | 136.5 | 150.9 | -96.8 | 11.9 | 0 | 0 | 0 | 108.7 | ||
| 518 | N | 24.8 | Very low | 27.8 | Very low | 157 Ų | 157 | 146.5 Ų | 146.5 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | trans | 73 | 110.7 | -169.4 | -43.4 | -48.1 | 0 | 0 | 0 | 114.8 | ||||
| 519 | E | 27.9 | Very low | 27.5 | Very low | 168 Ų | 168 | 146.8 Ų | 146.8 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | -164.6 | 113.8 | 106.7 | -107.3 | 179.1 | -167.4 | 0 | 0 | 111 | |||||
| 520 | Q | 24 | Very low | 27.3 | Very low | 198 Ų | 198 | 149.5 Ų | 149.5 | 93% | 0.925 | 76% | 0.763 | S | S | * | * | trans | -95.5 | 103.8 | 157.7 | -75.4 | -178.4 | -49.5 | 0 | 0 | 107.1 | ||||
| 521 | L | 27.9 | Very low | 27.4 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | trans | -132.4 | 152.8 | 168.1 | -86.9 | 174 | 0 | 0 | 0 | 111.3 | ||||
| 522 | L | 23.6 | Very low | 27.4 | Very low | 156 Ų | 156 | 144 Ų | 144 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | trans | -152.1 | 167.6 | -160.5 | -145.9 | 172.3 | 0 | 0 | 0 | 106.7 | ||||
| 523 | I | 27.5 | Very low | 27.6 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | trans | 96.3 | 122.1 | 167.1 | -55.3 | 169.7 | 0 | 0 | 0 | 115.8 | ||||
| 524 | D | 25 | Very low | 27.6 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 67% | 0.668 | 75% | 0.745 | S | S | * | * | trans | 51.2 | 132.1 | 156.7 | -53.4 | -11.8 | 0 | 0 | 0 | 120.3 | ||||
| 525 | Y | 27.9 | Very low | 27.8 | Very low | 203 Ų | 203 | 140.6 Ų | 140.6 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | -158.8 | 125.1 | 70.5 | -116.8 | -102.3 | 0 | 0 | 0 | 115.1 | |||||
| 526 | N | 27 | Very low | 27.9 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 60% | 0.604 | 74% | 0.741 | S | S | * | * | trans | 26.1 | 119.8 | 146.3 | -58 | -31.7 | 0 | 0 | 0 | 120.7 | ||||
| 527 | N | 28.5 | Very low | 27.9 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | -178.5 | 130.6 | 88.9 | -93.4 | -63.9 | 0 | 0 | 0 | 113.2 | |||||
| 528 | N | 27.6 | Very low | 28.1 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 71% | 0.711 | 73% | 0.728 | S | S | * | * | trans | 57.7 | 129.1 | 147.1 | -55.6 | -27.6 | 0 | 0 | 0 | 119.3 | ||||
| 529 | T | 28 | Very low | 28.3 | Very low | 112 Ų | 112 | 137 Ų | 137 | 69% | 0.687 | 72% | 0.721 | S | S | * | * | cis | -164.3 | 142.3 | 10.7 | 4.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 530 | T | 28.4 | Very low | 28.3 | Very low | 120 Ų | 120 | 134 Ų | 134 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | trans | 55 | 140.1 | 151.1 | 56.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 531 | T | 28.9 | Very low | 28.5 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | cis | -177 | 148.7 | 5.8 | 19.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 532 | T | 30.1 | Very low | 28.5 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 67% | 0.669 | 70% | 0.697 | S | S | * | * | cis | -171.7 | 162.2 | -12.6 | 11.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 533 | T | 31.8 | Very low | 28.7 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 69% | 0.687 | 69% | 0.689 | S | S | * | * | trans | 63.2 | 135.9 | 150.3 | 55.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 534 | D | 29.9 | Very low | 28.8 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 66% | 0.658 | 70% | 0.697 | S | S | * | * | cis | -167.4 | 156.5 | 1.3 | -122.4 | 8.1 | 0 | 0 | 0 | 115 | ||||
| 535 | N | 31.2 | Very low | 28.8 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 68% | 0.679 | 70% | 0.704 | S | S | * | * | trans | 63.6 | 138.6 | 146.1 | -64.8 | -32.5 | 0 | 0 | 0 | 120 | ||||
| 536 | T | 31.9 | Very low | 28.8 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | cis | -169.9 | 163 | 10.3 | 28.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 537 | M | 28.9 | Very low | 28.9 | Very low | 147 Ų | 147 | 125.6 Ų | 125.6 | 72% | 0.724 | 71% | 0.706 | S | S | * | * | cis | -176.6 | 161.7 | -13.3 | -102.8 | -78.5 | -125.3 | 0 | 0 | 109.5 | ||||
| 538 | I | 28.6 | Very low | 28.7 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 67% | 0.667 | 71% | 0.709 | S | S | * | * | trans | 68.1 | 131.4 | 144.2 | -75.4 | 165.7 | 0 | 0 | 0 | 120 | ||||
| 539 | H | 29.1 | Very low | 28.7 | Very low | 148 Ų | 148 | 128.5 Ų | 128.5 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | cis | -176.7 | 143.5 | -9.8 | -126.7 | -149.6 | 0 | 0 | 0 | 114.4 | ||||
| 540 | T | 29.1 | Very low | 28.5 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 63% | 0.632 | 71% | 0.711 | S | S | * | * | trans | 54.5 | 153.8 | 134.5 | 62.4 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 541 | T | 27.9 | Very low | 28.5 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 66% | 0.656 | 72% | 0.717 | S | S | * | * | cis | -172.8 | 141.8 | -19.1 | 32.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 542 | N | 27.3 | Very low | 28.1 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | 54.4 | 127.4 | 129.6 | -56.9 | 7.6 | 0 | 0 | 0 | 126 | |||||
| 543 | N | 27.6 | Very low | 28 | Very low | 123 Ų | 123 | 133 Ų | 133 | 66% | 0.658 | 73% | 0.732 | S | S | * | * | 66.1 | 133.1 | 124.3 | -56.6 | -3.7 | 0 | 0 | 0 | 123.9 | |||||
| 544 | H | 30.6 | Very low | 27.6 | Very low | 184 Ų | 184 | 134.7 Ų | 134.7 | 85% | 0.852 | 74% | 0.736 | S | S | * | * | -170.5 | 166 | 103.5 | -97.7 | -60.9 | 0 | 0 | 0 | 114.2 | |||||
| 545 | N | 24.2 | Very low | 27.5 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | trans | -104.7 | 157.3 | -168.3 | -47.9 | -32.2 | 0 | 0 | 0 | 113.5 | ||||
| 546 | S | 28.1 | Very low | 27.1 | Very low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | -174.5 | 136.9 | 145 | 57.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 547 | S | 29.5 | Very low | 26.7 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | trans | 41.2 | 126.4 | 146.1 | 57.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 548 | I | 23.3 | Very low | 26.6 | Very low | 155 Ų | 155 | 135.8 Ų | 135.8 | 80% | 0.795 | 75% | 0.748 | S | S | * | * | 66.4 | 105.2 | 56.2 | -56.6 | 171.8 | 0 | 0 | 0 | 114.6 | |||||
| 549 | H | 27.7 | Very low | 26.5 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | 169.3 | 108.4 | 143.8 | -94.8 | -63.8 | 0 | 0 | 0 | 108 | ||||
| 550 | S | 24.2 | Very low | 26.4 | Very low | 89 Ų | 89 | 134.5 Ų | 134.5 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | 54.2 | 117.5 | 83.6 | 78.6 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 551 | I | 27.6 | Very low | 26.4 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 86% | 0.862 | 77% | 0.766 | S | S | * | * | trans | -174.5 | 145.2 | 138.9 | -99.5 | 153.3 | 0 | 0 | 0 | 110.6 | ||||
| 552 | N | 22.1 | Very low | 26.7 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -85.8 | 151.9 | 175.8 | -61.2 | -42.1 | 0 | 0 | 0 | 112.2 | ||||
| 553 | T | 27.1 | Very low | 26.6 | Very low | 145 Ų | 145 | 140 Ų | 140 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | trans | -153.8 | 140.2 | 139.9 | 23.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 554 | N | 22.7 | Very low | 26.5 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | trans | -88.5 | 142.2 | 177.8 | -55 | -45.3 | 0 | 0 | 0 | 112.2 | ||||
| 555 | V | 28.1 | Very low | 26.2 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | trans | -149.3 | 100.9 | 142.7 | -174.9 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 556 | Q | 23.3 | Very low | 26.3 | Very low | 159 Ų | 159 | 139 Ų | 139 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | 67.6 | 127 | 68.6 | -68.1 | -164.1 | -79.3 | 0 | 0 | 115.7 | |||||
| 557 | S | 24.1 | Very low | 26.1 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | 61.4 | 137.9 | 165.9 | 29.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 558 | D | 26.8 | Very low | 26 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | cis | -140.8 | 137.5 | 2.8 | -99.2 | -52.3 | 0 | 0 | 0 | 108.7 | ||||
| 559 | S | 26 | Very low | 26.2 | Very low | 89 Ų | 89 | 140.7 Ų | 140.7 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | 60.5 | 130.4 | 80.6 | 92.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 560 | L | 26.9 | Very low | 26 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | cis | -140.5 | 141.2 | 31.1 | -73 | 161.1 | 0 | 0 | 0 | 115.3 | ||||
| 561 | Y | 28.7 | Very low | 26 | Very low | 228 Ų | 228 | 140.1 Ų | 140.1 | 89% | 0.894 | 78% | 0.776 | S | S | * | * | trans | -93.7 | -150.3 | 151.4 | -104.7 | -89.5 | 0 | 0 | 0 | 107.1 | ||||
| 562 | P | 34.9 | Very low | 26 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | cis | -130.4 | -138.3 | -19 | 23 | 5 | 0 | 0 | 0 | 111.8 | ||||
| 563 | V | 24.3 | Very low | 26.2 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | 84.6 | 118.1 | 154.1 | 167.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 564 | L | 26 | Very low | 26.3 | Very low | 140 Ų | 140 | 138.1 Ų | 138.1 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | cis | -143.3 | 167.7 | -5.4 | -78.4 | 151.6 | 0 | 0 | 0 | 107.5 | ||||
| 565 | M | 24.9 | Very low | 26.5 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | cis | 64.3 | 132.3 | 46.5 | -93.6 | 160.3 | 169.5 | 0 | 0 | 112.6 | ||||
| 566 | D | 25.7 | Very low | 26.4 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | cis | -138.8 | 168.1 | 21.8 | -68.1 | -49.1 | 0 | 0 | 0 | 115.5 | ||||
| 567 | D | 25.1 | Very low | 26.6 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | trans | -13.3 | 163.1 | 153 | -50.8 | -28 | 0 | 0 | 0 | 120.9 | ||||
| 568 | G | 25.8 | Very low | 26.6 | Very low | 70 Ų | 70 | 142.2 Ų | 142.2 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | cis | -160.9 | -157.1 | 4.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 569 | I | 28.7 | Very low | 26.6 | Very low | 162 Ų | 162 | 142 Ų | 142 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | cis | -148.8 | 112.8 | 15.6 | -69.7 | 168.7 | 0 | 0 | 0 | 110.8 | ||||
| 570 | V | 23.6 | Very low | 26.6 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | trans | 2.8 | 118.5 | 132.9 | 174.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 571 | N | 24.2 | Very low | 26.6 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | 164.3 | 163.4 | 107.5 | -112.6 | -20.5 | 0 | 0 | 0 | 116.6 | |||||
| 572 | N | 28 | Very low | 26.5 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | trans | 61.4 | 107.1 | 165 | -59.3 | -7.1 | 0 | 0 | 0 | 116.8 | ||||
| 573 | I | 26.4 | Very low | 26.1 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | 64.5 | 104.7 | 63.7 | -55.8 | 165.5 | 0 | 0 | 0 | 112 | |||||
| 574 | D | 27.8 | Very low | 26.2 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | -150.2 | 169.1 | 109.7 | -123.6 | -36.6 | 0 | 0 | 0 | 112.6 | |||||
| 575 | K | 26.4 | Very low | 26.3 | Very low | 181 Ų | 181 | 140.7 Ų | 140.7 | 79% | 0.787 | 76% | 0.764 | S | S | * | * | trans | -113.3 | 133.1 | -170 | -58.9 | 165 | -177.9 | 167.7 | 0 | 112.2 | ||||
| 576 | E | 26.4 | Very low | 26.4 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 59% | 0.589 | 77% | 0.767 | S | S | * | * | trans | -159.7 | 113.5 | 139.1 | -117.3 | 165 | -166 | 0 | 0 | 113.1 | S1200 | E576-S1200 VanDerWaalsContact OE1-CB 3.25Å; E576-S1200 WeakPolarHBondContact OE1-CB 3.38Å; E576-S1200 PolarHBondContact OE1-OG 2.91Å | ||
| 577 | Q | 29.2 | Very low | 26.5 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | 39.7 | 124.2 | 147.2 | -51.6 | 176.6 | 49.4 | 0 | 0 | 119.2 | N579 | Q577-N579 HydrophobicContact CB-CB 4.47Å; Q577-N579 PolarHBondContact OE1-ND2 3.18Å | ||
| 578 | M | 24.1 | Very low | 26.5 | Very low | 191 Ų | 191 | 140.7 Ų | 140.7 | 94% | 0.941 | 77% | 0.765 | S | S | * | * | cis | 44.6 | 79.4 | 11.5 | -76.7 | -150.2 | -77 | 0 | 0 | 115.9 | ||||
| 579 | N | 25.2 | Very low | 26.5 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | -149.1 | 86.4 | 159.1 | -102.1 | -32.9 | 0 | 0 | 0 | 110.3 | Q577 | Q577-N579 HydrophobicContact CB-CB 4.47Å; Q577-N579 PolarHBondContact OE1-ND2 3.18Å | ||
| 580 | L | 27.4 | Very low | 26.4 | Very low | 175 Ų | 175 | 140.1 Ų | 140.1 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | trans | -120 | 115.2 | 160.4 | -100.5 | 167.1 | 0 | 0 | 0 | 106.5 | L582 | L580-L582 PolarHBondContact O-N 3.07Š| ||
| 581 | G | 26.9 | Very low | 26.5 | Very low | 79 Ų | 79 | 139.7 Ų | 139.7 | 81% | 0.814 | 75% | 0.748 | S | S | * | * | trans | -68 | 102.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 582 | L | 26.4 | Very low | 26.7 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | trans | -85 | 108.5 | 155 | -86.8 | 156.5 | 0 | 0 | 0 | 107.8 | L580 Q584 | L580-L582 PolarHBondContact O-N 3.07Å; L582-Q584 PolarHBondContact O-N 2.96Å | ||
| 583 | D | 25.5 | Very low | 26.6 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | trans | -66 | 102.2 | 174 | -93.1 | -44.8 | 0 | 0 | 0 | 110.6 | S585 | D583-S585 PolarHBondContact O-N 3.11Š| ||
| 584 | Q | 27.7 | Very low | 26.7 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 31.1 | 179 | -64.7 | -174.5 | -19.4 | 0 | 0 | 113 | L582 | L582-Q584 PolarHBondContact O-N 2.96Š|
| 585 | S | 27.6 | Very low | 26.5 | Very low | 86 Ų | 86 | 137.8 Ų | 137.8 | 60% | 0.601 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -21.3 | -173.5 | 57.1 | 0 | 0 | 0 | 0 | 114.3 | D583 | D583-S585 PolarHBondContact O-N 3.11Š|
| 586 | L | 27.7 | Very low | 26.5 | Very low | 169 Ų | 169 | 135.8 Ų | 135.8 | 89% | 0.885 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | 5.8 | -177.2 | -71.8 | 171.7 | 0 | 0 | 0 | 114.9 | ||
| 587 | L | 26.6 | Very low | 26.4 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -1.1 | -176.1 | -103.4 | 161.8 | 0 | 0 | 0 | 115.1 | ||
| 588 | N | 25.9 | Very low | 26.3 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 77% | 0.765 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -127 | 69 | -178.1 | -78.6 | -36.7 | 0 | 0 | 0 | 112.1 | ||
| 589 | N | 26.2 | Very low | 26.4 | Very low | 131 Ų | 131 | 130 Ų | 130 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | trans | -156.6 | 112.4 | 155.6 | -92.7 | -47.6 | 0 | 0 | 0 | 110.3 | T1280 | N589-T1280 WeakPolarHBondContact ND2-CG2 3.46Å; N589-T1280 WeakPolarHBondContact OD1-CG2 3.32Å | ||
| 590 | S | 25.6 | Very low | 26.6 | Very low | 89 Ų | 89 | 129.5 Ų | 129.5 | 62% | 0.622 | 71% | 0.711 | S | S | * | * | trans | -80.5 | 162 | 173.4 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 591 | N | 26.6 | Very low | 26.8 | Very low | 108 Ų | 108 | 127.6 Ų | 127.6 | 58% | 0.578 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 95.8 | 16.6 | 163.9 | -46.8 | -13.3 | 0 | 0 | 0 | 119.6 | I1282 | N591-I1282 HydrophobicContact CB-CD1 3.7Å; N591-I1282 HydrophobicContact CB-CG1 3.99Å; N591-I1282 HydrophobicContact CB-CG2 4.41Å |
| 592 | D | 27.1 | Very low | 27.2 | Very low | 85 Ų | 85 | 128.5 Ų | 128.5 | 46% | 0.455 | 68% | 0.684 | S | S | . | * | trans | -125.3 | 46.6 | 162.1 | -92.9 | -57.7 | 0 | 0 | 0 | 113.3 | K594 I1282 S1283 C1284 | D592-K594 PolarHBondContact O-N 3Å; D592-I1282 VanDerWaalsContact OD2-CA 3.26Å; D592-I1282 WeakPolarHBondContact OD2-CA 3.45Å; D592-S1283 WeakPolarHBondContact OD1-CA 3.29Å; D592-S1283 PolarHBondContact OD1-N 3.2Å; D592-S1283 PolarHBondContact OD2-N 2.94Å; D592-C1284 PolarHBondContact OD1-N 3.44Å; D592-C1284 PolarHBondContact OD1-SG 3.37Å | ||
| 593 | M | 26.6 | Very low | 27.4 | Very low | 188 Ų | 188 | 123.6 Ų | 123.6 | 93% | 0.926 | 66% | 0.661 | S | S | * | * | trans | -77.2 | 65 | 165 | -82.9 | -71.2 | -70.8 | 0 | 0 | 110.8 | ||||
| 594 | K | 27.1 | Very low | 27.9 | Very low | 95 Ų | 95 | 120.1 Ų | 120.1 | 41% | 0.413 | 64% | 0.641 | S | S | . | * | trans | -86.3 | 141.3 | 164.7 | -138.4 | -177.9 | -166.7 | 68 | 0 | 109.5 | D592 I596 C1284 S1285 | D592-K594 PolarHBondContact O-N 3Å; K594-I596 PolarHBondContact O-N 2.85Å; K594-C1284 HydrophobicContact CD-CB 4.18Å; K594-C1284 VanDerWaalsContact NZ-CB 3.33Å; K594-C1284 PolarHBondContact NZ-SG 2.96Å; K594-C1284 VanDerWaalsContact NZ-SG 3.45Å; K594-S1285 PolarHBondContact NZ-OG 2.87Å | ||
| 595 | L | 25 | Very low | 28.3 | Very low | 147 Ų | 147 | 114.6 Ų | 114.6 | 77% | 0.77 | 62% | 0.621 | S | S | * | * | trans | -56.9 | 103 | -177.2 | -84.2 | 67.8 | 0 | 0 | 0 | 110.9 | N597 | L595-N597 PolarHBondContact O-N 2.98Š| ||
| 596 | I | 26.3 | Very low | 28.7 | Very low | 139 Ų | 139 | 116.2 Ų | 116.2 | 71% | 0.713 | 62% | 0.622 | S | S | * | * | trans | -70.8 | 106.8 | 150.2 | -58.9 | 176.6 | 0 | 0 | 0 | 104.5 | K594 L598 | K594-I596 PolarHBondContact O-N 2.85Å; I596-L598 VanDerWaalsContact C-N 3.27Å; I596-L598 HydrophobicContact CB-CD1 4.1Å; I596-L598 HydrophobicContact CG2-CD1 3.79Å; I596-L598 HydrophobicContact CG2-CG 4.34Å; I596-L598 PolarHBondContact O-N 3.45Å | ||
| 597 | N | 24.5 | Very low | 29.3 | Very low | 104 Ų | 104 | 111.1 Ų | 111.1 | 56% | 0.556 | 60% | 0.596 | S | S | * | * | trans | -63.6 | 96.3 | 163.2 | -90.5 | -0.6 | 0 | 0 | 0 | 106.9 | L595 S599 | L595-N597 PolarHBondContact O-N 2.98Å; N597-S599 PolarHBondContact O-N 3.08Å | ||
| 598 | L | 26.1 | Very low | 30 | Very low | 140 Ų | 140 | 112.3 Ų | 112.3 | 73% | 0.733 | 59% | 0.59 | S | S | * | * | trans | -70.9 | 79.4 | 165.4 | -83.2 | 92 | 0 | 0 | 0 | 108 | I596 L600 | I596-L598 VanDerWaalsContact C-N 3.27Å; I596-L598 HydrophobicContact CB-CD1 4.1Å; I596-L598 HydrophobicContact CG2-CD1 3.79Å; I596-L598 HydrophobicContact CG2-CG 4.34Å; I596-L598 PolarHBondContact O-N 3.45Å; L598-L600 PolarHBondContact O-N 2.93Å; L598-L600 VanDerWaalsContact O-N 3.09Å | ||
| 599 | S | 26.4 | Very low | 30.9 | Very low | 90 Ų | 90 | 108.7 Ų | 108.7 | 63% | 0.629 | 57% | 0.573 | S | S | * | * | trans | -45.7 | 116.9 | 161.5 | 54.5 | 0 | 0 | 0 | 0 | 108 | N597 L601 | N597-S599 PolarHBondContact O-N 3.08Å; S599-L601 PolarHBondContact O-N 3.22Å | ||
| 600 | L | 29.5 | Very low | 31.6 | Very low | 124 Ų | 124 | 104.6 Ų | 104.6 | 65% | 0.649 | 56% | 0.557 | S | S | * | * | trans | -75.6 | 66 | -162.7 | -93.1 | 162.1 | 0 | 0 | 0 | 112.6 | L598 Q602 | L598-L600 PolarHBondContact O-N 2.93Å; L598-L600 VanDerWaalsContact O-N 3.09Å; L600-Q602 VanDerWaalsContact C-N 3.35Å; L600-Q602 VanDerWaalsContact O-CG 3.24Å; L600-Q602 WeakPolarHBondContact O-CG 3.38Å; L600-Q602 PolarHBondContact O-N 2.9Å | ||
| 601 | L | 31.4 | Very low | 32.3 | Very low | 135 Ų | 135 | 101.2 Ų | 101.2 | 71% | 0.707 | 53% | 0.533 | S | S | * | . | trans | -51.4 | 92.7 | 173.5 | -90.4 | 162 | 0 | 0 | 0 | 110.6 | S599 | S599-L601 PolarHBondContact O-N 3.22Š| ||
| 602 | Q | 34.7 | Very low | 33.2 | Very low | 98 Ų | 98 | 96.7 Ų | 96.7 | 46% | 0.458 | 51% | 0.51 | S | S | . | . | trans | -68 | 143.3 | -173.7 | -61.6 | -162.7 | -12.2 | 0 | 0 | 110.8 | L600 M604 | L600-Q602 VanDerWaalsContact C-N 3.35Å; L600-Q602 VanDerWaalsContact O-CG 3.24Å; L600-Q602 WeakPolarHBondContact O-CG 3.38Å; L600-Q602 PolarHBondContact O-N 2.9Å; Q602-M604 PolarHBondContact O-N 3.12Å; Q602-M604 VanDerWaalsContact O-N 3.1Å | ||
| 603 | P | 32 | Very low | 33.9 | Very low | 55 Ų | 55 | 96.5 Ų | 96.5 | 36% | 0.357 | 50% | 0.503 | S | S | . | . | trans | -63.9 | 114.7 | 175.3 | 26.7 | -33.5 | 0 | 0 | 0 | 109.8 | Y493 P605 | Y493-P603 HydrophobicContact CD2-CG 4.34Å; P603-P605 WeakPolarHBondContact O-CD 3.32Å | ||
| 604 | M | 35.4 | Very low | 35 | Very low | 71 Ų | 71 | 91.6 Ų | 91.6 | 35% | 0.35 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 126 | 176.1 | -72.1 | -142.2 | 80.1 | 0 | 0 | 110.5 | M1 F425 Q602 | M1-M604 HydrophobicContact CB-SD 4.17Å; M1-M604 PolarHBondContact N-SD 3.31Å; F425-M604 HydrophobicContact CE2-CE 4.13Å; Q602-M604 PolarHBondContact O-N 3.12Å; Q602-M604 VanDerWaalsContact O-N 3.1Å |
| 605 | P | 36.7 | Very low | 36 | Very low | 60 Ų | 60 | 92 Ų | 92 | 39% | 0.39 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 150.5 | -179.7 | -24.1 | 34.2 | 0 | 0 | 0 | 114 | F425 P603 | F425-P605 HydrophobicContact CD2-CB 4.33Å; F425-P605 HydrophobicContact CD2-CG 4.02Å; F425-P605 HydrophobicContact CE2-CG 4.11Å; P603-P605 WeakPolarHBondContact O-CD 3.32Å |
| 606 | L | 35.8 | Very low | 37.3 | Very low | 120 Ų | 120 | 94.7 Ų | 94.7 | 63% | 0.628 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 125.1 | 171.9 | -70.4 | 162.2 | 0 | 0 | 0 | 110.6 | R608 | L606-R608 PolarHBondContact O-N 2.96Š|
| 607 | L | 40.4 | Very low | 38.4 | Very low | 62 Ų | 62 | 90.3 Ų | 90.3 | 33% | 0.325 | 46% | 0.462 | S | S | . | . | trans | -64.7 | 103.3 | 163.8 | -73.1 | 173.3 | 0 | 0 | 0 | 108.8 | V609 P611 | L607-V609 PolarHBondContact O-N 2.93Å; L607-V609 VanDerWaalsContact O-N 3.16Å; L607-P611 HydrophobicContact CD1-CG 4.35Å | ||
| 608 | R | 40.5 | Very low | 40.1 | Very low | 175 Ų | 175 | 88.5 Ų | 88.5 | 66% | 0.66 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -54.6 | -34.2 | -179 | -64.8 | -177.5 | -177.9 | 176.8 | 1.4 | 112.6 | E422 L606 | E422-R608 IonicContact OE2-CZ 2.66Å; E422-R608 IonicContact OE2-NH1 3.21Å; E422-R608 PolarHBondContact OE2-NH1 2.59Å; E422-R608 IonicContact OE2-NH2 3.62Å; E422-R608 PolarHBondContact OE2-NH2 3.44Å; L606-R608 PolarHBondContact O-N 2.96Å |
| 609 | V | 44.6 | Very low | 41.8 | Very low | 67 Ų | 67 | 82.7 Ų | 82.7 | 41% | 0.406 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -115.1 | 125.3 | 175.2 | -179 | 0 | 0 | 0 | 0 | 109.3 | L607 P611 | L607-V609 PolarHBondContact O-N 2.93Å; L607-V609 VanDerWaalsContact O-N 3.16Å; V609-P611 WeakPolarHBondContact O-CD 3.25Å |
| 610 | A | 41.3 | Very low | 43.8 | Very low | 45 Ų | 45 | 83 Ų | 83 | 37% | 0.372 | 43% | 0.429 | S | S | . | . | trans | -64 | 119.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | L614 K615 | A610-L614 HydrophobicContact CB-CD2 4.11Å; A610-K615 WeakPolarHBondContact O-CE 3.45Å; A610-K615 PolarHBondContact O-NZ 2.88Å | ||
| 611 | P | 39.6 | Very low | 45.9 | Very low | 18 Ų | 18 | 83.6 Ų | 83.6 | 12% | 0.117 | 43% | 0.428 | C | S | . | . | trans | -65.9 | 154 | -177.2 | 26.7 | -35 | 0 | 0 | 0 | 111.3 | L607 V609 W613 L614 K615 | L607-P611 HydrophobicContact CD1-CG 4.35Å; V609-P611 WeakPolarHBondContact O-CD 3.25Å; P611-W613 VanDerWaalsContact C-N 3.29Å; P611-W613 HydrophobicContact CB-CD2 3.8Å; P611-W613 HydrophobicContact CB-CE3 3.85Å; P611-W613 HydrophobicContact CB-CH2 3.56Å; P611-W613 HydrophobicContact CB-CZ2 3.49Å; P611-W613 VanDerWaalsContact CB-CZ2 3.49Å; P611-W613 HydrophobicContact CB-CZ3 3.73Å; P611-W613 HydrophobicContact CG-CD2 4.04Å; P611-W613 HydrophobicContact CG-CH2 3.96Å; P611-W613 HydrophobicContact CG-CZ2 3.35Å; P611-W613 PolarHBondContact O-N 3.29Å; P611-L614 WeakPolarHBondContact O-CA 3.27Å; P611-L614 VanDerWaalsContact O-CB 3.25Å; P611-L614 WeakPolarHBondContact O-CB 3.4Å; P611-L614 PolarHBondContact O-N 3.43Å; P611-K615 PolarHBondContact O-N 3.38Å | ||
| 612 | S | 45.6 | Very low | 47.6 | Very low | 13 Ų | 13 | 83.1 Ų | 83.1 | 9% | 0.091 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -30.5 | -167.2 | 68.4 | 0 | 0 | 0 | 0 | 114.8 | F363 Y364 L614 K615 | F363-S612 WeakPolarHBondContact O-CB 3.48Å; F363-S612 PolarHBondContact O-OG 3.47Å; Y364-S612 WeakPolarHBondContact CA-OG 3.2Å; S612-L614 PolarHBondContact O-N 3.06Å; S612-K615 CarbonylContact O-C 3.57Å; S612-K615 WeakPolarHBondContact O-CA 3.47Å; S612-K615 WeakPolarHBondContact O-CB 3.49Å; S612-K615 PolarHBondContact O-N 3.01Å |
| 613 | W | 43 | Very low | 48.9 | Very low | 80 Ų | 80 | 80.2 Ų | 80.2 | 30% | 0.303 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -22.6 | 174 | 61.5 | 79.1 | 0 | 0 | 0 | 113.2 | Y364 N461 P611 | Y364-W613 HydrophobicContact CD1-CE3 4.39Å; Y364-W613 HydrophobicContact CE1-CB 4.45Å; Y364-W613 HydrophobicContact CE1-CE3 4.49Å; N461-W613 PolarHBondContact ND2-NE1 3.33Å; N461-W613 VanDerWaalsContact ND2-NE1 3.2Å; N461-W613 PolarHBondContact OD1-NE1 3.17Å; P611-W613 VanDerWaalsContact C-N 3.29Å; P611-W613 HydrophobicContact CB-CD2 3.8Å; P611-W613 HydrophobicContact CB-CE3 3.85Å; P611-W613 HydrophobicContact CB-CH2 3.56Å; P611-W613 HydrophobicContact CB-CZ2 3.49Å; P611-W613 VanDerWaalsContact CB-CZ2 3.49Å; P611-W613 HydrophobicContact CB-CZ3 3.73Å; P611-W613 HydrophobicContact CG-CD2 4.04Å; P611-W613 HydrophobicContact CG-CH2 3.96Å; P611-W613 HydrophobicContact CG-CZ2 3.35Å; P611-W613 PolarHBondContact O-N 3.29Å |
| 614 | L | 48.7 | Very low | 50.4 | Low | 86 Ų | 86 | 80.5 Ų | 80.5 | 45% | 0.45 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -28.3 | 171 | -150.8 | 85.1 | 0 | 0 | 0 | 111.9 | I481 A610 P611 S612 R616 | I481-L614 HydrophobicContact CD1-CD1 4.14Å; I481-L614 HydrophobicContact CD1-CD2 3.83Å; I481-L614 HydrophobicContact CG2-CD2 4.49Å; A610-L614 HydrophobicContact CB-CD2 4.11Å; P611-L614 WeakPolarHBondContact O-CA 3.27Å; P611-L614 VanDerWaalsContact O-CB 3.25Å; P611-L614 WeakPolarHBondContact O-CB 3.4Å; P611-L614 PolarHBondContact O-N 3.43Å; S612-L614 PolarHBondContact O-N 3.06Å; L614-R616 PolarHBondContact O-N 3.34Å; L614-R616 VanDerWaalsContact O-N 3.08Å |
| 615 | K | 49.2 | Very low | 51.6 | Low | 103 Ų | 103 | 77.6 Ų | 77.6 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -80 | 77.5 | 179.1 | -60.8 | 177.3 | 177.4 | 121 | 0 | 110.9 | A610 P611 S612 P617 | A610-K615 WeakPolarHBondContact O-CE 3.45Å; A610-K615 PolarHBondContact O-NZ 2.88Å; P611-K615 PolarHBondContact O-N 3.38Å; S612-K615 CarbonylContact O-C 3.57Å; S612-K615 WeakPolarHBondContact O-CA 3.47Å; S612-K615 WeakPolarHBondContact O-CB 3.49Å; S612-K615 PolarHBondContact O-N 3.01Å; K615-P617 WeakPolarHBondContact O-CD 3.35Å |
| 616 | R | 50.7 | Low | 52.8 | Low | 203 Ų | 203 | 76.1 Ų | 76.1 | 77% | 0.766 | 39% | 0.393 | S | S | * | . | trans | -48 | 115.3 | 174.6 | -65.1 | -173.9 | -178.2 | -172.5 | 0.1 | 111 | L614 C618 F631 | L614-R616 PolarHBondContact O-N 3.34Å; L614-R616 VanDerWaalsContact O-N 3.08Å; R616-C618 VanDerWaalsContact C-N 3.34Å; R616-F631 HydrophobicContact CB-CE2 4.37Å; R616-F631 HydrophobicContact CB-CZ 4.4Å | ||
| 617 | P | 49.8 | Very low | 54 | Low | 48 Ų | 48 | 74.4 Ų | 74.4 | 31% | 0.312 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -77.9 | -22.2 | -173 | 30.3 | -35.5 | 0 | 0 | 0 | 112.7 | L361 K615 S633 | L361-P617 HydrophobicContact CD2-CB 4.5Å; K615-P617 WeakPolarHBondContact O-CD 3.35Å; P617-S633 WeakPolarHBondContact O-CB 3.35Å; P617-S633 PolarHBondContact O-N 3.24Å |
| 618 | C | 60.6 | Low | 55.1 | Low | 66 Ų | 66 | 72.7 Ų | 72.7 | 45% | 0.446 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 169 | 169.4 | 63.3 | 0 | 0 | 0 | 0 | 110.3 | R616 F631 | R616-C618 VanDerWaalsContact C-N 3.34Å; C618-F631 CarbonylContact C-O 3.59Å; C618-F631 WeakPolarHBondContact CA-O 3.4Å; C618-F631 WeakPolarHBondContact CB-O 3.32Å |
| 619 | G | 61.4 | Low | 56.5 | Low | 18 Ų | 18 | 66.6 Ų | 66.6 | 19% | 0.186 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.2 | 160.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | T630 F631 | G619-T630 WeakPolarHBondContact O-CA 3.43Å; G619-F631 VanDerWaalsContact CA-CE1 3.46Å; G619-F631 PolarHBondContact N-O 3.27Å; G619-F631 WeakPolarHBondContact O-CD1 3.49Å; G619-F631 PolarHBondContact O-N 3.05Å |
| 620 | V | 69.4 | Low | 57.6 | Low | 97 Ų | 97 | 64.7 Ų | 64.7 | 59% | 0.588 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 139.1 | -173.6 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | L628 V629 T630 | V620-L628 HydrophobicContact CG1-CD1 3.46Å; V620-L628 VanDerWaalsContact CG1-CD1 3.46Å; V620-L628 HydrophobicContact CG1-CD2 4.12Å; V620-L628 HydrophobicContact CG1-CG 3.71Å; V620-V629 CarbonylContact C-O 3.59Å; V620-V629 WeakPolarHBondContact CA-O 3.39Å; V620-T630 HydrophobicContact CG1-CG2 4.33Å; V620-T630 HydrophobicContact CG2-CG2 4.19Å |
| 621 | H | 73.7 | Confident | 58.7 | Low | 136 Ų | 136 | 66.8 Ų | 66.8 | 63% | 0.63 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 134.5 | 174.7 | -161.9 | 70.1 | 0 | 0 | 0 | 109.8 | V629 | H621-V629 PolarHBondContact N-O 3.39Å; H621-V629 PolarHBondContact O-N 3.26Å |
| 622 | F | 66.9 | Low | 59.5 | Low | 124 Ų | 124 | 67.8 Ų | 67.8 | 54% | 0.544 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 135.5 | 168.8 | -69.5 | -82.2 | 0 | 0 | 0 | 109.1 | L628 M648 | F622-L628 HydrophobicContact CD1-CD1 3.85Å; F622-L628 HydrophobicContact CE1-CD1 3.7Å; F622-L628 HydrophobicContact CG-CD1 4.36Å; F622-L628 HydrophobicContact CZ-CD1 4.09Å; F622-M648 HydrophobicContact CE1-SD 3.77Å; F622-M648 HydrophobicContact CZ-SD 4.19Å |
| 623 | A | 62 | Low | 59.8 | Low | 38 Ų | 38 | 71.4 Ų | 71.4 | 31% | 0.314 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 154.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | R627 V629 | A623-R627 HydrophobicContact CB-CB 4.17Å; A623-R627 PolarHBondContact N-O 3.08Å; A623-R627 PolarHBondContact O-N 2.71Å; A623-V629 HydrophobicContact CB-CG2 3.72Å |
| 624 | F | 63.2 | Low | 60.2 | Low | 60 Ų | 60 | 72.6 Ų | 72.6 | 26% | 0.263 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 141 | -177.1 | -166.6 | -93.2 | 0 | 0 | 0 | 112.8 | R627 T1077 L1123 R1126 L1127 N1130 | F624-R627 WeakPolarHBondContact O-CD 3.17Å; F624-T1077 HydrophobicContact CE1-CG2 4.29Å; F624-T1077 HydrophobicContact CZ-CG2 3.8Å; F624-L1123 HydrophobicContact CE2-CD1 4.24Å; F624-L1123 HydrophobicContact CZ-CD1 4.4Å; F624-R1126 HydrophobicContact CE2-CB 4.48Å; F624-R1126 HydrophobicContact CZ-CB 4.39Å; F624-L1127 HydrophobicContact CE1-CD2 4.39Å; F624-L1127 HydrophobicContact CE1-CG 4.37Å; F624-L1127 HydrophobicContact CZ-CG 4.16Å; F624-N1130 HydrophobicContact CD1-CB 4.41Å; F624-N1130 WeakPolarHBondContact CD1-ND2 3.47Å; F624-N1130 HydrophobicContact CE1-CB 4.46Å |
| 625 | G | 60.8 | Low | 60.1 | Low | 11 Ų | 11 | 75.1 Ų | 75.1 | 11% | 0.113 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 35.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R627 T1077 R1080 | G625-R627 VanDerWaalsContact C-N 3.29Å; G625-R627 WeakPolarHBondContact O-CG 2.97Å; G625-R627 PolarHBondContact O-N 3.18Å; G625-T1077 WeakPolarHBondContact CA-O 3.22Å; G625-R1080 WeakPolarHBondContact O-CD 3.38Å; G625-R1080 PolarHBondContact O-NH1 2.91Å |
| 626 | G | 62 | Low | 59.4 | Low | 29 Ų | 29 | 74.9 Ų | 74.9 | 30% | 0.299 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 35 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 627 | R | 59.6 | Low | 58.9 | Low | 84 Ų | 84 | 71.7 Ų | 71.7 | 32% | 0.317 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 133.2 | -175 | -64.6 | 177.5 | -178.2 | 141.9 | -4.6 | 110.7 | A623 F624 G625 I645 N1130 | A623-R627 HydrophobicContact CB-CB 4.17Å; A623-R627 PolarHBondContact N-O 3.08Å; A623-R627 PolarHBondContact O-N 2.71Å; F624-R627 WeakPolarHBondContact O-CD 3.17Å; G625-R627 VanDerWaalsContact C-N 3.29Å; G625-R627 WeakPolarHBondContact O-CG 2.97Å; G625-R627 PolarHBondContact O-N 3.18Å; R627-I645 HydrophobicContact CB-CG2 4.47Å; R627-N1130 PolarHBondContact NH1-OD1 3.19Å |
| 628 | L | 65.2 | Low | 58.5 | Low | 26 Ų | 26 | 78.2 Ų | 78.2 | 14% | 0.136 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 103 | 174.5 | -160.1 | 70.3 | 0 | 0 | 0 | 109.5 | V620 F622 T630 S646 M648 | V620-L628 HydrophobicContact CG1-CD1 3.46Å; V620-L628 VanDerWaalsContact CG1-CD1 3.46Å; V620-L628 HydrophobicContact CG1-CD2 4.12Å; V620-L628 HydrophobicContact CG1-CG 3.71Å; F622-L628 HydrophobicContact CD1-CD1 3.85Å; F622-L628 HydrophobicContact CE1-CD1 3.7Å; F622-L628 HydrophobicContact CG-CD1 4.36Å; F622-L628 HydrophobicContact CZ-CD1 4.09Å; L628-T630 HydrophobicContact CD2-CG2 4.25Å; L628-T630 HydrophobicContact CG-CG2 4.18Å; L628-T630 PolarHBondContact O-N 2.94Å; L628-S646 WeakPolarHBondContact CA-O 2.73Å; L628-S646 WeakPolarHBondContact CB-O 2.62Å; L628-S646 PolarHBondContact N-O 3.31Å; L628-S646 PolarHBondContact O-N 3.47Å; L628-S646 PolarHBondContact O-OG 3.3Å; L628-M648 HydrophobicContact CD1-SD 4.32Å; L628-M648 HydrophobicContact CD2-SD 4.37Å |
| 629 | V | 68.8 | Low | 57.6 | Low | 46 Ų | 46 | 78.4 Ų | 78.4 | 28% | 0.279 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 113 | 176 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | V620 H621 A623 | V620-V629 CarbonylContact C-O 3.59Å; V620-V629 WeakPolarHBondContact CA-O 3.39Å; H621-V629 PolarHBondContact N-O 3.39Å; H621-V629 PolarHBondContact O-N 3.26Å; A623-V629 HydrophobicContact CB-CG2 3.72Å |
| 630 | T | 67.4 | Low | 56.6 | Low | 27 Ų | 27 | 86.9 Ų | 86.9 | 17% | 0.166 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 145.7 | 175.8 | 67.5 | 0 | 0 | 0 | 0 | 110.9 | G619 V620 L628 T644 | G619-T630 WeakPolarHBondContact O-CA 3.43Å; V620-T630 HydrophobicContact CG1-CG2 4.33Å; V620-T630 HydrophobicContact CG2-CG2 4.19Å; L628-T630 HydrophobicContact CD2-CG2 4.25Å; L628-T630 HydrophobicContact CG-CG2 4.18Å; L628-T630 PolarHBondContact O-N 2.94Å; T630-T644 PolarHBondContact N-O 2.89Å; T630-T644 PolarHBondContact O-N 3.42Å; T630-T644 WeakPolarHBondContact OG1-CB 3.37Å; T630-T644 PolarHBondContact OG1-O 2.78Å; T630-T644 PolarHBondContact OG1-OG1 3.01Å |
| 631 | F | 65.4 | Low | 55.3 | Low | 90 Ų | 90 | 94.3 Ų | 94.3 | 40% | 0.395 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 140.8 | 163.2 | 65.2 | -90.4 | 0 | 0 | 0 | 108.9 | R616 C618 G619 | R616-F631 HydrophobicContact CB-CE2 4.37Å; R616-F631 HydrophobicContact CB-CZ 4.4Å; C618-F631 CarbonylContact C-O 3.59Å; C618-F631 WeakPolarHBondContact CA-O 3.4Å; C618-F631 WeakPolarHBondContact CB-O 3.32Å; G619-F631 VanDerWaalsContact CA-CE1 3.46Å; G619-F631 PolarHBondContact N-O 3.27Å; G619-F631 WeakPolarHBondContact O-CD1 3.49Å; G619-F631 PolarHBondContact O-N 3.05Å |
| 632 | S | 57 | Low | 54 | Low | 39 Ų | 39 | 91.3 Ų | 91.3 | 27% | 0.273 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 124.1 | -179.2 | 64.5 | 0 | 0 | 0 | 0 | 111.5 | L634 | S632-L634 VanDerWaalsContact C-N 3.3Å; S632-L634 PolarHBondContact O-N 3.11Å |
| 633 | S | 51.1 | Low | 53.3 | Low | 89 Ų | 89 | 95.8 Ų | 95.8 | 62% | 0.622 | 50% | 0.496 | S | S | * | . | trans | -83.7 | 65.7 | -179.1 | -172.6 | 0 | 0 | 0 | 0 | 112 | P617 | P617-S633 WeakPolarHBondContact O-CB 3.35Å; P617-S633 PolarHBondContact O-N 3.24Å | ||
| 634 | L | 50.3 | Low | 52.7 | Low | 104 Ų | 104 | 97.1 Ų | 97.1 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | trans | -91.7 | 112.9 | -179 | -92.3 | 78.1 | 0 | 0 | 0 | 113.6 | L361 S632 N636 | L361-L634 HydrophobicContact CD1-CD1 4.44Å; S632-L634 VanDerWaalsContact C-N 3.3Å; S632-L634 PolarHBondContact O-N 3.11Å; L634-N636 PolarHBondContact O-N 3.49Å | ||
| 635 | T | 47.4 | Very low | 52.2 | Low | 140 Ų | 140 | 100.1 Ų | 100.1 | 86% | 0.859 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 65.9 | 4.9 | 137.9 | 58.3 | 0 | 0 | 0 | 0 | 121.1 | ||
| 636 | N | 35.1 | Very low | 51.7 | Low | 97 Ų | 97 | 101.7 Ų | 101.7 | 52% | 0.519 | 53% | 0.527 | S | S | . | . | trans | -138.5 | 112.8 | 171.7 | -166.9 | -16.5 | 0 | 0 | 0 | 113.1 | L634 Q638 S639 | L634-N636 PolarHBondContact O-N 3.49Å; N636-Q638 PolarHBondContact O-N 3.35Å; N636-Q638 VanDerWaalsContact O-N 3.08Å; N636-Q638 PolarHBondContact OD1-N 3.48Å; N636-S639 PolarHBondContact O-N 3.15Å | ||
| 637 | P | 40.8 | Very low | 50.9 | Low | 136 Ų | 136 | 104 Ų | 104 | 88% | 0.883 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -5.6 | -172.9 | 28.3 | -36.1 | 0 | 0 | 0 | 115.3 | ||
| 638 | Q | 40.1 | Very low | 49.9 | Very low | 185 Ų | 185 | 105 Ų | 105 | 86% | 0.864 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -2.6 | 176.2 | -66.7 | -174.2 | -13.6 | 0 | 0 | 114.2 | N636 | N636-Q638 PolarHBondContact O-N 3.35Å; N636-Q638 VanDerWaalsContact O-N 3.08Å; N636-Q638 PolarHBondContact OD1-N 3.48Å |
| 639 | S | 42.1 | Very low | 48.4 | Very low | 71 Ų | 71 | 108.8 Ų | 108.8 | 50% | 0.497 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -91.7 | 123.7 | -176.4 | -164.6 | 0 | 0 | 0 | 0 | 112.7 | N636 | N636-S639 PolarHBondContact O-N 3.15Š|
| 640 | K | 40.6 | Very low | 46.7 | Very low | 196 Ų | 196 | 111.3 Ų | 111.3 | 85% | 0.852 | 60% | 0.597 | S | S | * | * | trans | -59.5 | 138.4 | 170.3 | -74.4 | 179.6 | 176.2 | 176.6 | 0 | 110 | T642 | K640-T642 PolarHBondContact O-N 2.67Š| ||
| 641 | R | 42.4 | Very low | 44.9 | Very low | 252 Ų | 252 | 115.1 Ų | 115.1 | 95% | 0.951 | 63% | 0.625 | S | S | * | * | trans | -28.4 | 97.8 | 175.7 | -87 | -179.7 | 163.1 | 171.9 | -5.3 | 113 | R643 | R641-R643 PolarHBondContact O-N 2.98Š| ||
| 642 | T | 46.1 | Very low | 43.1 | Very low | 73 Ų | 73 | 120.3 Ų | 120.3 | 45% | 0.448 | 65% | 0.647 | S | S | . | * | trans | -72.9 | 108.7 | 178.9 | 27.9 | 0 | 0 | 0 | 0 | 110.2 | K640 | K640-T642 PolarHBondContact O-N 2.67Š| ||
| 643 | R | 51.7 | Low | 41.7 | Very low | 218 Ų | 218 | 125.5 Ų | 125.5 | 82% | 0.823 | 67% | 0.667 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.1 | 101.5 | 164.2 | -74 | -179.6 | 171.6 | 176.1 | -3.2 | 108.1 | R641 | R641-R643 PolarHBondContact O-N 2.98Å |
| 644 | T | 50.4 | Low | 40.6 | Very low | 67 Ų | 67 | 128.1 Ų | 128.1 | 41% | 0.411 | 68% | 0.679 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91 | 102.8 | 174.3 | 30.3 | 0 | 0 | 0 | 0 | 109.2 | T630 S646 | T630-T644 PolarHBondContact N-O 2.89Å; T630-T644 PolarHBondContact O-N 3.42Å; T630-T644 WeakPolarHBondContact OG1-CB 3.37Å; T630-T644 PolarHBondContact OG1-O 2.78Å; T630-T644 PolarHBondContact OG1-OG1 3.01Å; T644-S646 PolarHBondContact O-N 2.97Å |
| 645 | I | 51.7 | Low | 39.5 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 63% | 0.626 | 69% | 0.693 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.7 | 113.7 | 166 | -56 | 175 | 0 | 0 | 0 | 106.3 | R627 | R627-I645 HydrophobicContact CB-CG2 4.47Å |
| 646 | S | 49.9 | Very low | 38.6 | Very low | 44 Ų | 44 | 128.4 Ų | 128.4 | 31% | 0.308 | 68% | 0.682 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112 | 145.6 | 174 | 48.6 | 0 | 0 | 0 | 0 | 110.9 | L628 T644 | L628-S646 WeakPolarHBondContact CA-O 2.73Å; L628-S646 WeakPolarHBondContact CB-O 2.62Å; L628-S646 PolarHBondContact N-O 3.31Å; L628-S646 PolarHBondContact O-N 3.47Å; L628-S646 PolarHBondContact O-OG 3.3Å; T644-S646 PolarHBondContact O-N 2.97Å |
| 647 | S | 46 | Very low | 38.3 | Very low | 78 Ų | 78 | 127.7 Ų | 127.7 | 55% | 0.545 | 68% | 0.678 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71.1 | 145.1 | 155 | 42.4 | 0 | 0 | 0 | 0 | 108.6 | S649 | S647-S649 VanDerWaalsContact C-N 3.34Å; S647-S649 PolarHBondContact O-N 3.35Å |
| 648 | M | 39.1 | Very low | 37.7 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 51% | 0.512 | 68% | 0.679 | S | S | . | * | trans | -83.1 | 76.3 | -173.6 | -175.1 | 157.2 | 147.7 | 0 | 0 | 111.5 | F622 L628 S650 | F622-M648 HydrophobicContact CE1-SD 3.77Å; F622-M648 HydrophobicContact CZ-SD 4.19Å; L628-M648 HydrophobicContact CD1-SD 4.32Å; L628-M648 HydrophobicContact CD2-SD 4.37Å; M648-S650 PolarHBondContact O-N 3.39Å | ||
| 649 | S | 33.2 | Very low | 37.3 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 75% | 0.748 | 66% | 0.655 | S | S | * | * | trans | -75 | 82.7 | 174.5 | 45.8 | 0 | 0 | 0 | 0 | 111.8 | S647 S651 | S647-S649 VanDerWaalsContact C-N 3.34Å; S647-S649 PolarHBondContact O-N 3.35Å; S649-S651 PolarHBondContact O-N 3.37Å | ||
| 650 | S | 33.3 | Very low | 37.3 | Very low | 98 Ų | 98 | 123.8 Ų | 123.8 | 69% | 0.685 | 65% | 0.646 | S | S | * | * | trans | -66.2 | 111.8 | 174.8 | 53.3 | 0 | 0 | 0 | 0 | 111.4 | M648 | M648-S650 PolarHBondContact O-N 3.39Š| ||
| 651 | S | 29.6 | Very low | 37 | Very low | 108 Ų | 108 | 118 Ų | 118 | 76% | 0.755 | 63% | 0.63 | S | S | * | * | trans | -91.3 | 117.7 | -171.6 | 43.5 | 0 | 0 | 0 | 0 | 114.1 | S649 | S649-S651 PolarHBondContact O-N 3.37Š| ||
| 652 | K | 28.1 | Very low | 36.8 | Very low | 198 Ų | 198 | 108 Ų | 108 | 86% | 0.861 | 60% | 0.596 | S | S | * | * | S | Bend | trans | 73.7 | 142.1 | 160.2 | -57.6 | -175.9 | 175.7 | -175.4 | 0 | 118.6 | ||
| 653 | Q | 26.7 | Very low | 36.7 | Very low | 148 Ų | 148 | 109.2 Ų | 109.2 | 69% | 0.692 | 60% | 0.598 | S | S | * | * | trans | 69.3 | 71.4 | 168.8 | -57.4 | -165.9 | -70.4 | 0 | 0 | 118.1 | N1349 | Q653-N1349 PolarHBondContact OE1-ND2 3.49Š| ||
| 654 | T | 28.9 | Very low | 35.9 | Very low | 144 Ų | 144 | 100.5 Ų | 100.5 | 88% | 0.883 | 57% | 0.569 | S | S | * | * | -158.6 | 118.5 | 110.3 | 46 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 655 | D | 26.8 | Very low | 35.1 | Very low | 155 Ų | 155 | 101.3 Ų | 101.3 | 83% | 0.829 | 57% | 0.571 | S | S | * | * | trans | -78.9 | 167.3 | 173.2 | -60.8 | -71.7 | 0 | 0 | 0 | 111.5 | ||||
| 656 | P | 28.2 | Very low | 34.5 | Very low | 96 Ų | 96 | 98.4 Ų | 98.4 | 62% | 0.623 | 56% | 0.556 | S | S | * | * | cis | -132.9 | -179.3 | 11.2 | 42.7 | -26.6 | 0 | 0 | 0 | 117.2 | ||||
| 657 | N | 29.5 | Very low | 33.7 | Very low | 81 Ų | 81 | 100.9 Ų | 100.9 | 43% | 0.433 | 56% | 0.563 | S | S | . | * | trans | 91.8 | 99.2 | 165.4 | -58.3 | -17.3 | 0 | 0 | 0 | 118.8 | R659 L681 | N657-R659 HydrophobicContact CB-CG 4.39Å; N657-R659 PolarHBondContact ND2-NH1 3.14Å; N657-R659 PolarHBondContact O-N 3.44Å; N657-L681 VanDerWaalsContact ND2-CD1 3.27Å; N657-L681 WeakPolarHBondContact ND2-CD1 3.08Å | ||
| 658 | N | 27.7 | Very low | 33.3 | Very low | 171 Ų | 171 | 103.4 Ų | 103.4 | 91% | 0.914 | 57% | 0.566 | S | S | * | * | trans | -69.7 | 111.7 | 161.7 | -55.5 | -36.3 | 0 | 0 | 0 | 110.2 | ||||
| 659 | R | 32.4 | Very low | 32.7 | Very low | 97 Ų | 97 | 102.2 Ų | 102.2 | 37% | 0.366 | 56% | 0.562 | S | S | . | * | trans | -151.4 | 34.1 | -179.5 | -64.9 | -169.8 | 177.8 | 148.3 | 3.5 | 115.1 | N657 Q678 N679 | N657-R659 HydrophobicContact CB-CG 4.39Å; N657-R659 PolarHBondContact ND2-NH1 3.14Å; N657-R659 PolarHBondContact O-N 3.44Å; R659-Q678 PolarHBondContact NH2-O 3.5Å; R659-Q678 VanDerWaalsContact NH2-O 3.09Å; R659-N679 PolarHBondContact NE-OD1 3.08Å; R659-N679 PolarHBondContact NH2-OD1 3.34Å; R659-N679 VanDerWaalsContact NH2-OD1 3.11Å | ||
| 660 | S | 40.2 | Very low | 32.9 | Very low | 42 Ų | 42 | 100.8 Ų | 100.8 | 29% | 0.294 | 55% | 0.552 | S | S | . | * | trans | -118 | -1.6 | -171.6 | 46.3 | 0 | 0 | 0 | 0 | 115.9 | D662 I1082 | S660-D662 PolarHBondContact O-N 3.04Å; S660-I1082 PolarHBondContact OG-O 3.21Å | ||
| 661 | S | 36 | Very low | 32.6 | Very low | 76 Ų | 76 | 100.7 Ų | 100.7 | 53% | 0.531 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -67.1 | -21.1 | 170.5 | 37.8 | 0 | 0 | 0 | 0 | 113.5 | T664 N665 | S661-T664 PolarHBondContact O-OG1 3.45Å; S661-N665 PolarHBondContact O-ND2 3.08Å |
| 662 | D | 38.1 | Very low | 32.6 | Very low | 41 Ų | 41 | 98.8 Ų | 98.8 | 22% | 0.219 | 53% | 0.528 | C | S | . | . | S | Bend | trans | -94.4 | -29.3 | -155.7 | -45.3 | -37 | 0 | 0 | 0 | 111.5 | S660 T664 N665 I666 V675 | S660-D662 PolarHBondContact O-N 3.04Å; D662-T664 VanDerWaalsContact C-N 3.34Å; D662-T664 PolarHBondContact O-N 3.43Å; D662-N665 PolarHBondContact O-N 3.23Å; D662-N665 VanDerWaalsContact O-N 3.14Å; D662-I666 WeakPolarHBondContact O-CG1 3.03Å; D662-I666 PolarHBondContact O-N 3.43Å; D662-V675 HydrophobicContact CB-CG1 4.17Å; D662-V675 HydrophobicContact CB-CG2 4.05Å |
| 663 | I | 42.5 | Very low | 32.7 | Very low | 99 Ų | 99 | 92.3 Ų | 92.3 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.8 | -35.5 | -177.8 | -61.2 | 173.6 | 0 | 0 | 0 | 111.9 | N665 I666 Y1095 | I663-N665 VanDerWaalsContact C-N 3.29Å; I663-N665 PolarHBondContact O-N 3.38Å; I663-I666 PolarHBondContact O-N 3.33Å; I663-Y1095 HydrophobicContact CG2-CE1 4.44Å |
| 664 | T | 36 | Very low | 32.9 | Very low | 34 Ų | 34 | 91.6 Ų | 91.6 | 21% | 0.209 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -71.5 | -23.6 | 176.9 | 42.3 | 0 | 0 | 0 | 0 | 113.4 | S661 D662 I666 Y1095 | S661-T664 PolarHBondContact O-OG1 3.45Å; D662-T664 VanDerWaalsContact C-N 3.34Å; D662-T664 PolarHBondContact O-N 3.43Å; T664-I666 VanDerWaalsContact C-N 3.34Å; T664-Y1095 HydrophobicContact CG2-CE2 4.15Å |
| 665 | N | 33.5 | Very low | 33 | Very low | 84 Ų | 84 | 87.4 Ų | 87.4 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -79.9 | -17.6 | 177.3 | -68.6 | -31.5 | 0 | 0 | 0 | 112.9 | S661 D662 I663 N669 | S661-N665 PolarHBondContact O-ND2 3.08Å; D662-N665 PolarHBondContact O-N 3.23Å; D662-N665 VanDerWaalsContact O-N 3.14Å; I663-N665 VanDerWaalsContact C-N 3.29Å; I663-N665 PolarHBondContact O-N 3.38Å; N665-N669 PolarHBondContact O-N 2.87Å; N665-N669 PolarHBondContact O-ND2 3.24Å; N665-N669 VanDerWaalsContact O-ND2 3.08Å |
| 666 | I | 37.9 | Very low | 33.3 | Very low | 62 Ų | 62 | 83.7 Ų | 83.7 | 32% | 0.318 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -77.4 | -30.3 | -173.2 | -74.9 | 169.4 | 0 | 0 | 0 | 113.7 | D662 I663 T664 I672 F1046 | D662-I666 WeakPolarHBondContact O-CG1 3.03Å; D662-I666 PolarHBondContact O-N 3.43Å; I663-I666 PolarHBondContact O-N 3.33Å; T664-I666 VanDerWaalsContact C-N 3.34Å; I666-I672 HydrophobicContact CB-CD1 4.49Å; I666-I672 HydrophobicContact CD1-CD1 4.49Å; I666-I672 HydrophobicContact CG1-CD1 4.03Å; I666-I672 HydrophobicContact CG1-CG1 4.16Å; I666-I672 HydrophobicContact CG1-CG2 4.37Å; I666-I672 HydrophobicContact CG2-CD1 3.93Å; I666-F1046 HydrophobicContact CG2-CZ 4.22Å |
| 667 | E | 34.6 | Very low | 33.5 | Very low | 95 Ų | 95 | 86.2 Ų | 86.2 | 44% | 0.444 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -13.2 | 172.5 | -79.5 | -165.1 | 151.3 | 0 | 0 | 113.6 | R1049 I1098 | E667-R1049 IonicContact OE1-NH1 3.57Å; E667-I1098 WeakPolarHBondContact OE2-CD1 3.41Å; E667-I1098 WeakPolarHBondContact OE2-CG1 3.28Å |
| 668 | Q | 36.4 | Very low | 33.6 | Very low | 132 Ų | 132 | 90.5 Ų | 90.5 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -14.1 | -177.9 | -72 | -172.1 | -23.8 | 0 | 0 | 114.7 | N1094 | Q668-N1094 PolarHBondContact NE2-ND2 2.79Š|
| 669 | N | 27.1 | Very low | 33.9 | Very low | 79 Ų | 79 | 84.9 Ų | 84.9 | 42% | 0.422 | 48% | 0.479 | S | S | . | . | trans | -128.1 | 130.8 | 171 | -50.8 | -85.9 | 0 | 0 | 0 | 108.9 | N665 T671 | N665-N669 PolarHBondContact O-N 2.87Å; N665-N669 PolarHBondContact O-ND2 3.24Å; N665-N669 VanDerWaalsContact O-ND2 3.08Å; N669-T671 PolarHBondContact O-N 3.11Å | ||
| 670 | S | 37.9 | Very low | 33.7 | Very low | 77 Ų | 77 | 88.8 Ų | 88.8 | 54% | 0.538 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -71.7 | 16.7 | 176.9 | 58 | 0 | 0 | 0 | 0 | 114.4 | E702 | S670-E702 WeakPolarHBondContact CB-OE1 2.98Å; S670-E702 PolarHBondContact OG-OE1 3.39Å |
| 671 | T | 27.1 | Very low | 33.2 | Very low | 96 Ų | 96 | 92.2 Ų | 92.2 | 59% | 0.589 | 52% | 0.516 | S | S | * | . | trans | -138.7 | 80.7 | -161 | 38.2 | 0 | 0 | 0 | 0 | 112.1 | N669 G673 | N669-T671 PolarHBondContact O-N 3.11Å; T671-G673 PolarHBondContact O-N 2.98Å | ||
| 672 | I | 29.8 | Very low | 32.8 | Very low | 68 Ų | 68 | 96.3 Ų | 96.3 | 35% | 0.349 | 53% | 0.531 | S | S | . | . | trans | -78.5 | 62.8 | 177.7 | -44.3 | 178.9 | 0 | 0 | 0 | 110.5 | I666 | I666-I672 HydrophobicContact CB-CD1 4.49Å; I666-I672 HydrophobicContact CD1-CD1 4.49Å; I666-I672 HydrophobicContact CG1-CD1 4.03Å; I666-I672 HydrophobicContact CG1-CG1 4.16Å; I666-I672 HydrophobicContact CG1-CG2 4.37Å; I666-I672 HydrophobicContact CG2-CD1 3.93Å | ||
| 673 | G | 29.2 | Very low | 32.8 | Very low | 61 Ų | 61 | 97 Ų | 97 | 63% | 0.629 | 54% | 0.54 | S | S | * | . | trans | -97.9 | -1.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | T671 | T671-G673 PolarHBondContact O-N 2.98Š| ||
| 674 | T | 31.7 | Very low | 32.4 | Very low | 133 Ų | 133 | 97.8 Ų | 97.8 | 82% | 0.816 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -134.5 | 1.6 | -154.8 | 51.5 | 0 | 0 | 0 | 0 | 117.2 | ||
| 675 | V | 30.9 | Very low | 32.5 | Very low | 56 Ų | 56 | 103.3 Ų | 103.3 | 34% | 0.339 | 57% | 0.572 | S | S | . | * | trans | -110.1 | -4.1 | -168.4 | -173.3 | 0 | 0 | 0 | 0 | 113.2 | D662 D677 | D662-V675 HydrophobicContact CB-CG1 4.17Å; D662-V675 HydrophobicContact CB-CG2 4.05Å; V675-D677 PolarHBondContact O-N 2.87Å | ||
| 676 | S | 31.8 | Very low | 32.6 | Very low | 77 Ų | 77 | 106 Ų | 106 | 54% | 0.538 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.7 | -23.8 | -159.8 | -40 | 0 | 0 | 0 | 0 | 116.9 | ||
| 677 | D | 32.7 | Very low | 32.4 | Very low | 150 Ų | 150 | 109.7 Ų | 109.7 | 80% | 0.802 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | -2.5 | -154.1 | -74.5 | -19.9 | 0 | 0 | 0 | 117 | V675 | V675-D677 PolarHBondContact O-N 2.87Š|
| 678 | Q | 31.2 | Very low | 32.5 | Very low | 170 Ų | 170 | 107.7 Ų | 107.7 | 79% | 0.794 | 59% | 0.593 | S | S | * | * | trans | -118.1 | 23.7 | -166.2 | -57.6 | -165.3 | 14.3 | 0 | 0 | 116 | R659 | R659-Q678 PolarHBondContact NH2-O 3.5Å; R659-Q678 VanDerWaalsContact NH2-O 3.09Å | ||
| 679 | N | 34 | Very low | 32.8 | Very low | 53 Ų | 53 | 104 Ų | 104 | 28% | 0.283 | 57% | 0.574 | S | S | . | * | trans | -112.9 | 32.3 | -164.7 | -69.2 | -11.8 | 0 | 0 | 0 | 117 | R659 L681 Y690 | R659-N679 PolarHBondContact NE-OD1 3.08Å; R659-N679 PolarHBondContact NH2-OD1 3.34Å; R659-N679 VanDerWaalsContact NH2-OD1 3.11Å; N679-L681 PolarHBondContact O-N 3.27Å; N679-L681 VanDerWaalsContact O-N 3.17Å; N679-Y690 HydrophobicContact CB-CE2 4.19Å; N679-Y690 VanDerWaalsContact CB-OH 3.3Å; N679-Y690 WeakPolarHBondContact CB-OH 3.34Å; N679-Y690 PolarHBondContact ND2-OH 2.92Å; N679-Y690 VanDerWaalsContact ND2-OH 3.16Å | ||
| 680 | H | 29 | Very low | 33.1 | Very low | 179 Ų | 179 | 105.1 Ų | 105.1 | 83% | 0.829 | 57% | 0.573 | S | S | * | * | trans | -71.4 | 103.9 | 171.6 | -84.9 | -74.1 | 0 | 0 | 0 | 113.2 | ||||
| 681 | L | 30.5 | Very low | 33 | Very low | 115 Ų | 115 | 105.2 Ų | 105.2 | 60% | 0.602 | 57% | 0.57 | S | S | * | * | trans | -141.2 | 146.4 | 158.2 | -84.3 | -177.9 | 0 | 0 | 0 | 111.1 | N657 N679 S683 | N657-L681 VanDerWaalsContact ND2-CD1 3.27Å; N657-L681 WeakPolarHBondContact ND2-CD1 3.08Å; N679-L681 PolarHBondContact O-N 3.27Å; N679-L681 VanDerWaalsContact O-N 3.17Å; L681-S683 PolarHBondContact O-N 3.02Å | ||
| 682 | N | 27.8 | Very low | 33.4 | Very low | 161 Ų | 161 | 102.7 Ų | 102.7 | 86% | 0.861 | 55% | 0.551 | S | S | * | * | trans | -92.1 | 104.8 | -161.6 | -61.9 | -26 | 0 | 0 | 0 | 113.5 | ||||
| 683 | S | 36.2 | Very low | 33.9 | Very low | 57 Ų | 57 | 102.5 Ų | 102.5 | 40% | 0.399 | 55% | 0.55 | S | S | . | . | trans | -159.2 | 139 | 152.9 | 52.3 | 0 | 0 | 0 | 0 | 110.2 | L681 F686 | L681-S683 PolarHBondContact O-N 3.02Å; S683-F686 VanDerWaalsContact OG-CD2 3.26Å; S683-F686 WeakPolarHBondContact OG-CD2 3.2Å | ||
| 684 | T | 34.4 | Very low | 33.9 | Very low | 115 Ų | 115 | 106.4 Ų | 106.4 | 71% | 0.706 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -70.6 | -35 | -175.3 | 41.1 | 0 | 0 | 0 | 0 | 112.7 | F686 Q687 | T684-F686 VanDerWaalsContact C-N 3.3Å; T684-F686 PolarHBondContact O-N 3.45Å; T684-Q687 PolarHBondContact O-N 2.84Å |
| 685 | E | 38 | Very low | 34 | Very low | 149 Ų | 149 | 106.9 Ų | 106.9 | 70% | 0.696 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.4 | -32.9 | -179.6 | -64.3 | 167.4 | 172.9 | 0 | 0 | 112.4 | ||
| 686 | F | 36.6 | Very low | 34.2 | Very low | 140 Ų | 140 | 105.9 Ų | 105.9 | 61% | 0.614 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -77.9 | -23.2 | 176.2 | -82.8 | -96 | 0 | 0 | 0 | 113.3 | S683 T684 S688 Y689 Y690 | S683-F686 VanDerWaalsContact OG-CD2 3.26Å; S683-F686 WeakPolarHBondContact OG-CD2 3.2Å; T684-F686 VanDerWaalsContact C-N 3.3Å; T684-F686 PolarHBondContact O-N 3.45Å; F686-S688 VanDerWaalsContact C-N 3.3Å; F686-S688 PolarHBondContact O-N 3.07Å; F686-Y689 PolarHBondContact O-N 3.36Å; F686-Y690 WeakPolarHBondContact O-CB 3.45Å; F686-Y690 PolarHBondContact O-N 2.89Å |
| 687 | Q | 33.7 | Very low | 34.1 | Very low | 140 Ų | 140 | 105.8 Ų | 105.8 | 65% | 0.654 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.4 | -33.5 | 176.9 | -80.3 | -160.7 | -30.9 | 0 | 0 | 112.5 | T684 Y689 Y690 V691 | T684-Q687 PolarHBondContact O-N 2.84Å; Q687-Y689 VanDerWaalsContact C-N 3.34Å; Q687-Y689 PolarHBondContact O-N 3.27Å; Q687-Y690 PolarHBondContact O-N 3.11Å; Q687-Y690 VanDerWaalsContact O-N 3.16Å; Q687-V691 WeakPolarHBondContact O-CG2 3.47Å; Q687-V691 PolarHBondContact O-N 3.44Å |
| 688 | S | 37.5 | Very low | 34.1 | Very low | 54 Ų | 54 | 102.6 Ų | 102.6 | 38% | 0.378 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 175.5 | -49.1 | 0 | 0 | 0 | 0 | 111.9 | F686 V691 F692 | F686-S688 VanDerWaalsContact C-N 3.3Å; F686-S688 PolarHBondContact O-N 3.07Å; S688-V691 PolarHBondContact O-N 2.72Å; S688-F692 PolarHBondContact O-N 2.92Å |
| 689 | Y | 40.8 | Very low | 34.1 | Very low | 53 Ų | 53 | 100.1 Ų | 100.1 | 21% | 0.208 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -72.6 | -29.8 | 175.7 | -70 | -78 | 0 | 0 | 0 | 112.8 | F686 Q687 F692 I693 F997 L1040 | F686-Y689 PolarHBondContact O-N 3.36Å; Q687-Y689 VanDerWaalsContact C-N 3.34Å; Q687-Y689 PolarHBondContact O-N 3.27Å; Y689-F692 WeakPolarHBondContact O-CB 3.35Å; Y689-F692 PolarHBondContact O-N 3.5Å; Y689-I693 WeakPolarHBondContact O-CG1 3.25Å; Y689-I693 PolarHBondContact O-N 3.46Å; Y689-F997 HydrophobicContact CE2-CE2 4.42Å; Y689-F997 HydrophobicContact CE2-CZ 4.26Å; Y689-L1040 HydrophobicContact CD1-CD2 3.91Å; Y689-L1040 HydrophobicContact CD1-CG 4.36Å; Y689-L1040 HydrophobicContact CE1-CD2 3.56Å; Y689-L1040 HydrophobicContact CE1-CG 4.4Å; Y689-L1040 HydrophobicContact CE2-CD2 4.34Å; Y689-L1040 HydrophobicContact CG-CD2 4.44Å |
| 690 | Y | 34.2 | Very low | 33.8 | Very low | 104 Ų | 104 | 103 Ų | 103 | 41% | 0.408 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.6 | -35.2 | 174.2 | -149.7 | -90.7 | 0 | 0 | 0 | 112.2 | N679 F686 Q687 K694 | N679-Y690 HydrophobicContact CB-CE2 4.19Å; N679-Y690 VanDerWaalsContact CB-OH 3.3Å; N679-Y690 WeakPolarHBondContact CB-OH 3.34Å; N679-Y690 PolarHBondContact ND2-OH 2.92Å; N679-Y690 VanDerWaalsContact ND2-OH 3.16Å; F686-Y690 WeakPolarHBondContact O-CB 3.45Å; F686-Y690 PolarHBondContact O-N 2.89Å; Q687-Y690 PolarHBondContact O-N 3.11Å; Q687-Y690 VanDerWaalsContact O-N 3.16Å; Y690-K694 WeakPolarHBondContact O-CB 3.41Å; Y690-K694 PolarHBondContact O-N 3.46Å |
| 691 | V | 35.2 | Very low | 33.7 | Very low | 78 Ų | 78 | 98.9 Ų | 98.9 | 47% | 0.473 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.5 | -40.4 | 170.8 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | Q687 S688 K694 W695 | Q687-V691 WeakPolarHBondContact O-CG2 3.47Å; Q687-V691 PolarHBondContact O-N 3.44Å; S688-V691 PolarHBondContact O-N 2.72Å; V691-K694 CarbonylContact O-C 3.54Å; V691-K694 PolarHBondContact O-N 3.36Å; V691-W695 PolarHBondContact O-N 2.76Å |
| 692 | F | 37 | Very low | 33.4 | Very low | 44 Ų | 44 | 98.6 Ų | 98.6 | 19% | 0.193 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -57.5 | -50 | 173.6 | -172.1 | -108 | 0 | 0 | 0 | 111.5 | S688 Y689 K694 W695 I696 L1001 L1043 L1047 | S688-F692 PolarHBondContact O-N 2.92Å; Y689-F692 WeakPolarHBondContact O-CB 3.35Å; Y689-F692 PolarHBondContact O-N 3.5Å; F692-K694 VanDerWaalsContact C-N 3.34Å; F692-K694 PolarHBondContact O-N 3.08Å; F692-W695 WeakPolarHBondContact O-CB 3.24Å; F692-W695 PolarHBondContact O-N 2.89Å; F692-W695 VanDerWaalsContact O-N 3.15Å; F692-I696 HydrophobicContact CD1-CD1 3.62Å; F692-I696 HydrophobicContact CE1-CD1 3.63Å; F692-I696 HydrophobicContact CG-CD1 4.23Å; F692-I696 HydrophobicContact CZ-CD1 4.24Å; F692-I696 VanDerWaalsContact O-CD1 3.3Å; F692-I696 WeakPolarHBondContact O-CD1 3.4Å; F692-I696 VanDerWaalsContact O-CG1 3.3Å; F692-I696 WeakPolarHBondContact O-CG1 3.42Å; F692-I696 PolarHBondContact O-N 3.32Å; F692-I696 VanDerWaalsContact O-N 3.1Å; F692-L1001 HydrophobicContact CD2-CD2 4.44Å; F692-L1043 HydrophobicContact CD1-CD2 4.29Å; F692-L1043 HydrophobicContact CE1-CD2 4.48Å; F692-L1047 HydrophobicContact CE1-CD1 3.67Å; F692-L1047 HydrophobicContact CZ-CD1 4.07Å |
| 693 | I | 38.7 | Very low | 33.4 | Very low | 63 Ų | 63 | 96.3 Ų | 96.3 | 32% | 0.323 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57 | -46.3 | 173.3 | -67.7 | 163.1 | 0 | 0 | 0 | 111.1 | Y689 W695 I696 D697 L1043 | Y689-I693 WeakPolarHBondContact O-CG1 3.25Å; Y689-I693 PolarHBondContact O-N 3.46Å; I693-W695 PolarHBondContact O-N 2.91Å; I693-I696 WeakPolarHBondContact O-CA 3.46Å; I693-I696 WeakPolarHBondContact O-CB 3.41Å; I693-I696 PolarHBondContact O-N 3.2Å; I693-D697 PolarHBondContact O-N 2.85Å; I693-L1043 HydrophobicContact CD1-CD2 4.17Å; I693-L1043 HydrophobicContact CG1-CD1 4.27Å; I693-L1043 HydrophobicContact CG1-CD2 3.66Å |
| 694 | K | 30.2 | Very low | 32.8 | Very low | 144 Ų | 144 | 100.5 Ų | 100.5 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.1 | -18.1 | 179.9 | -158.8 | 175.5 | -175.3 | -178.5 | 0 | 114.3 | Y690 V691 F692 | Y690-K694 WeakPolarHBondContact O-CB 3.41Å; Y690-K694 PolarHBondContact O-N 3.46Å; V691-K694 CarbonylContact O-C 3.54Å; V691-K694 PolarHBondContact O-N 3.36Å; F692-K694 VanDerWaalsContact C-N 3.34Å; F692-K694 PolarHBondContact O-N 3.08Å |
| 695 | W | 32.7 | Very low | 32.4 | Very low | 142 Ų | 142 | 100.3 Ų | 100.3 | 54% | 0.538 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -80.6 | -30.6 | 168.7 | -80.1 | 31.1 | 0 | 0 | 0 | 111.5 | V691 F692 I693 V698 F699 L738 | V691-W695 PolarHBondContact O-N 2.76Å; F692-W695 WeakPolarHBondContact O-CB 3.24Å; F692-W695 PolarHBondContact O-N 2.89Å; F692-W695 VanDerWaalsContact O-N 3.15Å; I693-W695 PolarHBondContact O-N 2.91Å; W695-V698 WeakPolarHBondContact O-CB 3.23Å; W695-V698 PolarHBondContact O-N 3.08Å; W695-F699 WeakPolarHBondContact O-CD2 3.39Å; W695-L738 HydrophobicContact CH2-CD2 3.38Å; W695-L738 HydrophobicContact CZ2-CD2 3.57Å; W695-L738 HydrophobicContact CZ3-CD2 4Å |
| 696 | I | 35.8 | Very low | 31.8 | Very low | 36 Ų | 36 | 98 Ų | 98 | 19% | 0.185 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -71.8 | -36.7 | 177 | -67.7 | 156.2 | 0 | 0 | 0 | 111 | F692 I693 V698 F699 L1047 | F692-I696 HydrophobicContact CD1-CD1 3.62Å; F692-I696 HydrophobicContact CE1-CD1 3.63Å; F692-I696 HydrophobicContact CG-CD1 4.23Å; F692-I696 HydrophobicContact CZ-CD1 4.24Å; F692-I696 VanDerWaalsContact O-CD1 3.3Å; F692-I696 WeakPolarHBondContact O-CD1 3.4Å; F692-I696 VanDerWaalsContact O-CG1 3.3Å; F692-I696 WeakPolarHBondContact O-CG1 3.42Å; F692-I696 PolarHBondContact O-N 3.32Å; F692-I696 VanDerWaalsContact O-N 3.1Å; I693-I696 WeakPolarHBondContact O-CA 3.46Å; I693-I696 WeakPolarHBondContact O-CB 3.41Å; I693-I696 PolarHBondContact O-N 3.2Å; I696-V698 PolarHBondContact O-N 2.84Å; I696-F699 PolarHBondContact O-N 3.01Å; I696-L1047 HydrophobicContact CB-CD2 4.24Å; I696-L1047 HydrophobicContact CD1-CD1 3.58Å; I696-L1047 HydrophobicContact CD1-CD2 3.53Å; I696-L1047 HydrophobicContact CD1-CG 4.05Å; I696-L1047 HydrophobicContact CG1-CD1 4.49Å; I696-L1047 HydrophobicContact CG1-CD2 3.57Å; I696-L1047 HydrophobicContact CG2-CD2 3.66Å |
| 697 | D | 29.6 | Very low | 31.2 | Very low | 74 Ų | 74 | 98 Ų | 98 | 40% | 0.396 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -14.4 | 173.6 | -66.3 | -35.6 | 0 | 0 | 0 | 113.6 | I693 | I693-D697 PolarHBondContact O-N 2.85Š|
| 698 | V | 33.2 | Very low | 30.6 | Very low | 83 Ų | 83 | 98 Ų | 98 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -19.8 | 176.4 | -177 | 0 | 0 | 0 | 0 | 112.5 | W695 I696 Q700 I734 | W695-V698 WeakPolarHBondContact O-CB 3.23Å; W695-V698 PolarHBondContact O-N 3.08Å; I696-V698 PolarHBondContact O-N 2.84Å; V698-Q700 PolarHBondContact O-N 3.35Å; V698-I734 HydrophobicContact CG1-CD1 4.16Å; V698-I734 HydrophobicContact CG1-CG1 4.1Å |
| 699 | F | 30.3 | Very low | 30 | Very low | 119 Ų | 119 | 102.1 Ų | 102.1 | 52% | 0.522 | 54% | 0.544 | S | S | . | . | trans | -93 | 45 | -176.5 | -81.2 | -81 | 0 | 0 | 0 | 113.5 | W695 I696 L701 | W695-F699 WeakPolarHBondContact O-CD2 3.39Å; I696-F699 PolarHBondContact O-N 3.01Å; F699-L701 PolarHBondContact O-N 3.26Å | ||
| 700 | Q | 28.6 | Very low | 29.2 | Very low | 114 Ų | 114 | 108.1 Ų | 108.1 | 53% | 0.533 | 57% | 0.574 | S | S | . | * | trans | -73.3 | 80.2 | -175.7 | -69.1 | -173.3 | -7.3 | 0 | 0 | 114.2 | V698 E702 W727 | V698-Q700 PolarHBondContact O-N 3.35Å; Q700-E702 PolarHBondContact O-N 3.27Å; Q700-W727 WeakPolarHBondContact O-CZ2 2.94Å | ||
| 701 | L | 27.4 | Very low | 28.8 | Very low | 92 Ų | 92 | 108.4 Ų | 108.4 | 48% | 0.482 | 59% | 0.588 | S | S | . | * | trans | -67 | 106 | 157.9 | -96 | 79.2 | 0 | 0 | 0 | 109.5 | F699 P703 W727 | F699-L701 PolarHBondContact O-N 3.26Å; L701-P703 WeakPolarHBondContact O-CD 3.49Å; L701-W727 HydrophobicContact CB-CZ2 4.48Å; L701-W727 HydrophobicContact CD1-CE3 4.32Å; L701-W727 HydrophobicContact CD1-CH2 3.42Å; L701-W727 VanDerWaalsContact CD1-CH2 3.42Å; L701-W727 HydrophobicContact CD1-CZ2 3.66Å; L701-W727 HydrophobicContact CD1-CZ3 3.75Å; L701-W727 HydrophobicContact CD2-CD2 4.23Å; L701-W727 HydrophobicContact CD2-CH2 4.37Å; L701-W727 HydrophobicContact CD2-CZ2 3.75Å; L701-W727 HydrophobicContact CG-CH2 4.35Å; L701-W727 HydrophobicContact CG-CZ2 4.11Å | ||
| 702 | E | 24.8 | Very low | 28.3 | Very low | 109 Ų | 109 | 113 Ų | 113 | 51% | 0.509 | 60% | 0.604 | S | S | . | * | trans | -79.7 | 121.5 | 161.1 | -80.5 | -158.4 | 119.5 | 0 | 0 | 110.5 | S670 Q700 I704 | S670-E702 WeakPolarHBondContact CB-OE1 2.98Å; S670-E702 PolarHBondContact OG-OE1 3.39Å; Q700-E702 PolarHBondContact O-N 3.27Å; E702-I704 PolarHBondContact O-N 3.19Å; E702-I704 VanDerWaalsContact O-N 3.14Å | ||
| 703 | P | 26.8 | Very low | 27.7 | Very low | 112 Ų | 112 | 115.3 Ų | 115.3 | 73% | 0.727 | 63% | 0.626 | S | S | * | * | trans | -78.3 | 96.7 | 173.2 | 30.9 | -32.9 | 0 | 0 | 0 | 110.8 | L701 S705 | L701-P703 WeakPolarHBondContact O-CD 3.49Å; P703-S705 PolarHBondContact O-N 3.29Å | ||
| 704 | I | 24.1 | Very low | 27 | Very low | 146 Ų | 146 | 118.7 Ų | 118.7 | 75% | 0.749 | 65% | 0.65 | S | S | * | * | trans | -71.5 | 93.7 | 178.2 | -55 | 176.5 | 0 | 0 | 0 | 110.5 | E702 | E702-I704 PolarHBondContact O-N 3.19Å; E702-I704 VanDerWaalsContact O-N 3.14Å | ||
| 705 | S | 25.6 | Very low | 26.9 | Very low | 111 Ų | 111 | 117.5 Ų | 117.5 | 78% | 0.776 | 65% | 0.654 | S | S | * | * | trans | -133.8 | 64.2 | 171.7 | 69.4 | 0 | 0 | 0 | 0 | 112.6 | P703 | P703-S705 PolarHBondContact O-N 3.29Š| ||
| 706 | S | 24.7 | Very low | 26.6 | Very low | 99 Ų | 99 | 116.7 Ų | 116.7 | 69% | 0.692 | 66% | 0.66 | S | S | * | * | trans | -122.5 | 98.3 | -178.6 | 52 | 0 | 0 | 0 | 0 | 113 | ||||
| 707 | T | 23.7 | Very low | 26 | Very low | 140 Ų | 140 | 121.2 Ų | 121.2 | 86% | 0.859 | 69% | 0.685 | S | S | * | * | trans | -101.5 | 55.6 | 179.7 | 56 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 708 | T | 22 | Very low | 25.9 | Very low | 140 Ų | 140 | 124.3 Ų | 124.3 | 86% | 0.859 | 70% | 0.701 | S | S | * | * | trans | -155.5 | 59.6 | 171.6 | 7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 709 | V | 25.7 | Very low | 25.6 | Very low | 141 Ų | 141 | 127 Ų | 127 | 86% | 0.855 | 71% | 0.713 | S | S | * | * | trans | -128.3 | 134.4 | 158.6 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 710 | Q | 24.1 | Very low | 25.3 | Very low | 180 Ų | 180 | 126.9 Ų | 126.9 | 84% | 0.841 | 72% | 0.722 | S | S | * | * | trans | -77.5 | 143.3 | -177.3 | -75.7 | -170.8 | -20.4 | 0 | 0 | 112.4 | ||||
| 711 | P | 25.4 | Very low | 25.2 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 71% | 0.714 | 74% | 0.736 | S | S | * | * | trans | -92.3 | 136.8 | -173.9 | 34.7 | -34.1 | 0 | 0 | 0 | 113.4 | ||||
| 712 | H | 23.9 | Very low | 25.1 | Very low | 175 Ų | 175 | 127.6 Ų | 127.6 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | -142.7 | 92.2 | 159.9 | -87.5 | -65.6 | 0 | 0 | 0 | 113.1 | ||||
| 713 | S | 23.8 | Very low | 25.1 | Very low | 92 Ų | 92 | 127.9 Ų | 127.9 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | trans | 50.7 | 108.9 | 134.1 | 62.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 714 | T | 24.9 | Very low | 25.3 | Very low | 134 Ų | 134 | 125.9 Ų | 125.9 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | 174.6 | 157.6 | 76.3 | 36.2 | 0 | 0 | 0 | 0 | 110 | |||||
| 715 | V | 28.2 | Very low | 25.6 | Very low | 119 Ų | 119 | 122.6 Ų | 122.6 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | cis | -151.4 | 142.5 | -9.2 | 105.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 716 | N | 25.4 | Very low | 25.8 | Very low | 124 Ų | 124 | 125.1 Ų | 125.1 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | trans | 21.1 | 122.1 | 151.8 | -59.9 | 10.2 | 0 | 0 | 0 | 124.2 | ||||
| 717 | N | 25 | Very low | 26.1 | Very low | 131 Ų | 131 | 125 Ų | 125 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | 76.1 | 116.2 | 125.4 | -58.9 | 10.9 | 0 | 0 | 0 | 119.1 | |||||
| 718 | N | 27.4 | Very low | 26.3 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | -160.6 | 159.5 | 53.2 | -81.3 | -53.7 | 0 | 0 | 0 | 113.5 | |||||
| 719 | N | 26.1 | Very low | 26.7 | Very low | 139 Ų | 139 | 122.2 Ų | 122.2 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | trans | 65.4 | 100.1 | 162.2 | -59.5 | 0.2 | 0 | 0 | 0 | 118.2 | ||||
| 720 | T | 24.3 | Very low | 27.1 | Very low | 118 Ų | 118 | 117.2 Ų | 117.2 | 72% | 0.724 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 40.6 | 141 | 133.5 | 52.6 | 0 | 0 | 0 | 0 | 121.6 | ||
| 721 | D | 25.9 | Very low | 27.5 | Very low | 155 Ų | 155 | 112.8 Ų | 112.8 | 83% | 0.829 | 64% | 0.642 | S | S | * | * | trans | 70.6 | 84.4 | 164.3 | -45.1 | -31.6 | 0 | 0 | 0 | 114.1 | ||||
| 722 | G | 24.9 | Very low | 27.9 | Very low | 66 Ų | 66 | 110.4 Ų | 110.4 | 68% | 0.68 | 63% | 0.627 | S | S | * | * | trans | -163.4 | 89.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D725 | G722-D725 WeakPolarHBondContact CA-OD2 3.4Š| ||
| 723 | S | 26.2 | Very low | 28.3 | Very low | 115 Ų | 115 | 107.5 Ų | 107.5 | 80% | 0.804 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -175.7 | -14.1 | 169.6 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | D725 | S723-D725 VanDerWaalsContact C-N 3.3Å; S723-D725 PolarHBondContact N-OD2 2.82Å |
| 724 | A | 29.3 | Very low | 28.7 | Very low | 70 Ų | 70 | 105.1 Ų | 105.1 | 58% | 0.579 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -79.2 | -14.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q726 W727 | A724-Q726 PolarHBondContact O-N 2.94Å; A724-W727 PolarHBondContact O-N 3.07Å |
| 725 | D | 31.4 | Very low | 29.2 | Very low | 77 Ų | 77 | 101.7 Ų | 101.7 | 41% | 0.412 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -83.1 | -13.1 | -157.9 | -46.2 | -79 | 0 | 0 | 0 | 114.1 | G722 S723 W727 N729 | G722-D725 WeakPolarHBondContact CA-OD2 3.4Å; S723-D725 VanDerWaalsContact C-N 3.3Å; S723-D725 PolarHBondContact N-OD2 2.82Å; D725-W727 PolarHBondContact O-N 2.85Å; D725-N729 PolarHBondContact O-ND2 2.9Å |
| 726 | Q | 30.4 | Very low | 29.5 | Very low | 164 Ų | 164 | 101.4 Ų | 101.4 | 77% | 0.766 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.8 | -19.1 | 170.8 | -75.7 | -171.6 | -56.2 | 0 | 0 | 113.1 | A724 | A724-Q726 PolarHBondContact O-N 2.94Å |
| 727 | W | 29.8 | Very low | 29.8 | Very low | 95 Ų | 95 | 99.3 Ų | 99.3 | 36% | 0.36 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -93.1 | -23.9 | 179.5 | -86.2 | 75.3 | 0 | 0 | 0 | 114.5 | Q700 L701 A724 D725 S730 I731 | Q700-W727 WeakPolarHBondContact O-CZ2 2.94Å; L701-W727 HydrophobicContact CB-CZ2 4.48Å; L701-W727 HydrophobicContact CD1-CE3 4.32Å; L701-W727 HydrophobicContact CD1-CH2 3.42Å; L701-W727 VanDerWaalsContact CD1-CH2 3.42Å; L701-W727 HydrophobicContact CD1-CZ2 3.66Å; L701-W727 HydrophobicContact CD1-CZ3 3.75Å; L701-W727 HydrophobicContact CD2-CD2 4.23Å; L701-W727 HydrophobicContact CD2-CH2 4.37Å; L701-W727 HydrophobicContact CD2-CZ2 3.75Å; L701-W727 HydrophobicContact CG-CH2 4.35Å; L701-W727 HydrophobicContact CG-CZ2 4.11Å; A724-W727 PolarHBondContact O-N 3.07Å; D725-W727 PolarHBondContact O-N 2.85Å; W727-S730 PolarHBondContact O-OG 3.34Å; W727-I731 WeakPolarHBondContact O-CD1 3Å; W727-I731 WeakPolarHBondContact O-CG1 3.33Å |
| 728 | K | 28.7 | Very low | 30 | Very low | 111 Ų | 111 | 96.2 Ų | 96.2 | 48% | 0.483 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -72.9 | -37.6 | 173.2 | -69.2 | -166 | 171.2 | -166.4 | 0 | 112.1 | S730 P732 | K728-S730 VanDerWaalsContact C-N 3.35Å; K728-S730 PolarHBondContact O-N 3.3Å; K728-P732 WeakPolarHBondContact O-CD 3.3Å |
| 729 | N | 30.3 | Very low | 30.2 | Very low | 111 Ų | 111 | 93.4 Ų | 93.4 | 59% | 0.594 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -18.5 | -176.1 | -77.6 | -86.6 | 0 | 0 | 0 | 115.3 | D725 | D725-N729 PolarHBondContact O-ND2 2.9Š|
| 730 | S | 34.6 | Very low | 30.5 | Very low | 36 Ų | 36 | 91.4 Ų | 91.4 | 25% | 0.252 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -15.9 | -178.8 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | W727 K728 D733 I734 | W727-S730 PolarHBondContact O-OG 3.34Å; K728-S730 VanDerWaalsContact C-N 3.35Å; K728-S730 PolarHBondContact O-N 3.3Å; S730-D733 PolarHBondContact O-N 3.36Å; S730-I734 WeakPolarHBondContact O-CG1 3.45Å; S730-I734 PolarHBondContact O-N 3.25Å; S730-I734 VanDerWaalsContact O-N 3.13Å |
| 731 | I | 32.2 | Very low | 30.9 | Very low | 87 Ų | 87 | 91.2 Ų | 91.2 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.8 | -41.2 | 173.8 | -70.4 | 166.5 | 0 | 0 | 0 | 111.9 | W727 D733 I734 I735 | W727-I731 WeakPolarHBondContact O-CD1 3Å; W727-I731 WeakPolarHBondContact O-CG1 3.33Å; I731-D733 PolarHBondContact O-N 2.83Å; I731-I734 PolarHBondContact O-N 3.21Å; I731-I735 HydrophobicContact CG2-CD1 3.64Å; I731-I735 HydrophobicContact CG2-CG1 4.33Å; I731-I735 WeakPolarHBondContact O-CB 3.48Å; I731-I735 WeakPolarHBondContact O-CG1 3.21Å; I731-I735 PolarHBondContact O-N 2.9Å |
| 732 | P | 32.4 | Very low | 31.2 | Very low | 60 Ų | 60 | 89.7 Ų | 89.7 | 39% | 0.39 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -55.6 | -46.6 | 171.3 | -28 | 36 | 0 | 0 | 0 | 113.5 | K728 I734 I735 E736 | K728-P732 WeakPolarHBondContact O-CD 3.3Å; P732-I734 PolarHBondContact O-N 2.88Å; P732-I735 PolarHBondContact O-N 3.1Å; P732-E736 VanDerWaalsContact O-CB 3.25Å; P732-E736 WeakPolarHBondContact O-CB 3.29Å; P732-E736 PolarHBondContact O-N 3.48Å |
| 733 | D | 33.7 | Very low | 31.5 | Very low | 114 Ų | 114 | 91.7 Ų | 91.7 | 61% | 0.61 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.2 | -38.4 | 179.8 | -74.4 | -26.7 | 0 | 0 | 0 | 112.4 | S730 I731 C737 | S730-D733 PolarHBondContact O-N 3.36Å; I731-D733 PolarHBondContact O-N 2.83Å; D733-C737 VanDerWaalsContact O-CB 3.22Å; D733-C737 WeakPolarHBondContact O-CB 3.31Å; D733-C737 PolarHBondContact O-N 2.98Å |
| 734 | I | 32.4 | Very low | 31.7 | Very low | 42 Ų | 42 | 91.6 Ų | 91.6 | 22% | 0.215 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -69 | -42.8 | 177.5 | -66.7 | 166.5 | 0 | 0 | 0 | 110.5 | V698 S730 I731 P732 C737 L738 | V698-I734 HydrophobicContact CG1-CD1 4.16Å; V698-I734 HydrophobicContact CG1-CG1 4.1Å; S730-I734 WeakPolarHBondContact O-CG1 3.45Å; S730-I734 PolarHBondContact O-N 3.25Å; S730-I734 VanDerWaalsContact O-N 3.13Å; I731-I734 PolarHBondContact O-N 3.21Å; P732-I734 PolarHBondContact O-N 2.88Å; I734-C737 PolarHBondContact O-N 3.39Å; I734-L738 HydrophobicContact CG2-CD1 4.19Å; I734-L738 WeakPolarHBondContact O-CB 3.32Å; I734-L738 VanDerWaalsContact O-CG 3.3Å; I734-L738 WeakPolarHBondContact O-CG 3.47Å; I734-L738 PolarHBondContact O-N 2.93Å |
| 735 | I | 34.8 | Very low | 31.7 | Very low | 62 Ų | 62 | 92.5 Ų | 92.5 | 32% | 0.318 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 175 | -70.8 | 173.6 | 0 | 0 | 0 | 110.6 | I731 P732 L738 I739 L771 | I731-I735 HydrophobicContact CG2-CD1 3.64Å; I731-I735 HydrophobicContact CG2-CG1 4.33Å; I731-I735 WeakPolarHBondContact O-CB 3.48Å; I731-I735 WeakPolarHBondContact O-CG1 3.21Å; I731-I735 PolarHBondContact O-N 2.9Å; P732-I735 PolarHBondContact O-N 3.1Å; I735-L738 PolarHBondContact O-N 2.72Å; I735-I739 HydrophobicContact CG2-CD1 3.62Å; I735-I739 HydrophobicContact CG2-CG1 4.34Å; I735-I739 VanDerWaalsContact O-CB 3.31Å; I735-I739 WeakPolarHBondContact O-CB 3.32Å; I735-I739 WeakPolarHBondContact O-CG1 3.38Å; I735-I739 PolarHBondContact O-N 3.22Å; I735-L771 HydrophobicContact CD1-CD1 4.4Å |
| 736 | E | 34.1 | Very low | 31.6 | Very low | 114 Ų | 114 | 96 Ų | 96 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -39.5 | 176.9 | 178 | 162.7 | 169.4 | 0 | 0 | 111.5 | P732 I739 N740 | P732-E736 VanDerWaalsContact O-CB 3.25Å; P732-E736 WeakPolarHBondContact O-CB 3.29Å; P732-E736 PolarHBondContact O-N 3.48Å; E736-I739 PolarHBondContact O-N 2.91Å; E736-N740 WeakPolarHBondContact CG-ND2 3.31Å; E736-N740 VanDerWaalsContact O-CB 3.24Å; E736-N740 WeakPolarHBondContact O-CB 3.46Å; E736-N740 VanDerWaalsContact O-CG 3.28Å; E736-N740 PolarHBondContact O-N 2.95Å; E736-N740 PolarHBondContact O-ND2 3.31Å; E736-N740 PolarHBondContact OE1-ND2 3.29Å |
| 737 | C | 31.4 | Very low | 31.6 | Very low | 80 Ų | 80 | 95 Ų | 95 | 54% | 0.541 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 173.4 | -170.1 | 0 | 0 | 0 | 0 | 111.7 | D733 I734 I739 N740 V741 | D733-C737 VanDerWaalsContact O-CB 3.22Å; D733-C737 WeakPolarHBondContact O-CB 3.31Å; D733-C737 PolarHBondContact O-N 2.98Å; I734-C737 PolarHBondContact O-N 3.39Å; C737-I739 VanDerWaalsContact C-N 3.33Å; C737-I739 PolarHBondContact O-N 3.42Å; C737-N740 PolarHBondContact O-N 3.23Å; C737-V741 WeakPolarHBondContact O-CG2 3.48Å; C737-V741 PolarHBondContact O-N 3.46Å |
| 738 | L | 30.3 | Very low | 31.8 | Very low | 66 Ų | 66 | 100.5 Ų | 100.5 | 35% | 0.346 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.5 | -34 | 175.8 | -71.3 | 168.2 | 0 | 0 | 0 | 112.7 | W695 I734 I735 L742 | W695-L738 HydrophobicContact CH2-CD2 3.38Å; W695-L738 HydrophobicContact CZ2-CD2 3.57Å; W695-L738 HydrophobicContact CZ3-CD2 4Å; I734-L738 HydrophobicContact CG2-CD1 4.19Å; I734-L738 WeakPolarHBondContact O-CB 3.32Å; I734-L738 VanDerWaalsContact O-CG 3.3Å; I734-L738 WeakPolarHBondContact O-CG 3.47Å; I734-L738 PolarHBondContact O-N 2.93Å; I735-L738 PolarHBondContact O-N 2.72Å; L738-L742 WeakPolarHBondContact O-CD1 3.45Å; L738-L742 WeakPolarHBondContact O-CG 3.45Å |
| 739 | I | 32.4 | Very low | 32 | Very low | 79 Ų | 79 | 100 Ų | 100 | 41% | 0.405 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71.9 | -43.4 | 175 | -76.1 | 174 | 0 | 0 | 0 | 111.1 | I735 E736 C737 V741 L742 N743 | I735-I739 HydrophobicContact CG2-CD1 3.62Å; I735-I739 HydrophobicContact CG2-CG1 4.34Å; I735-I739 VanDerWaalsContact O-CB 3.31Å; I735-I739 WeakPolarHBondContact O-CB 3.32Å; I735-I739 WeakPolarHBondContact O-CG1 3.38Å; I735-I739 PolarHBondContact O-N 3.22Å; E736-I739 PolarHBondContact O-N 2.91Å; C737-I739 VanDerWaalsContact C-N 3.33Å; C737-I739 PolarHBondContact O-N 3.42Å; I739-V741 VanDerWaalsContact C-N 3.29Å; I739-V741 PolarHBondContact O-N 3.3Å; I739-L742 CarbonylContact O-C 3.17Å; I739-L742 PolarHBondContact O-N 2.99Å; I739-N743 WeakPolarHBondContact CG2-ND2 3.47Å; I739-N743 WeakPolarHBondContact O-CB 3.32Å; I739-N743 PolarHBondContact O-N 2.89Å |
| 740 | N | 32.4 | Very low | 32.3 | Very low | 98 Ų | 98 | 98.6 Ų | 98.6 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68 | -26.2 | 179.4 | -78.1 | -31.4 | 0 | 0 | 0 | 112.8 | E736 C737 L742 | E736-N740 WeakPolarHBondContact CG-ND2 3.31Å; E736-N740 VanDerWaalsContact O-CB 3.24Å; E736-N740 WeakPolarHBondContact O-CB 3.46Å; E736-N740 VanDerWaalsContact O-CG 3.28Å; E736-N740 PolarHBondContact O-N 2.95Å; E736-N740 PolarHBondContact O-ND2 3.31Å; E736-N740 PolarHBondContact OE1-ND2 3.29Å; C737-N740 PolarHBondContact O-N 3.23Å; N740-L742 VanDerWaalsContact C-N 3.31Å |
| 741 | V | 32.4 | Very low | 32.3 | Very low | 113 Ų | 113 | 101 Ų | 101 | 69% | 0.685 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -17.3 | 169.8 | 170.6 | 0 | 0 | 0 | 0 | 112.8 | C737 I739 | C737-V741 WeakPolarHBondContact O-CG2 3.48Å; C737-V741 PolarHBondContact O-N 3.46Å; I739-V741 VanDerWaalsContact C-N 3.29Å; I739-V741 PolarHBondContact O-N 3.3Å |
| 742 | L | 30.8 | Very low | 32.4 | Very low | 123 Ų | 123 | 101.5 Ų | 101.5 | 64% | 0.644 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | -12.2 | -173.9 | -68.6 | 174.4 | 0 | 0 | 0 | 115.6 | L738 I739 N740 | L738-L742 WeakPolarHBondContact O-CD1 3.45Å; L738-L742 WeakPolarHBondContact O-CG 3.45Å; I739-L742 CarbonylContact O-C 3.17Å; I739-L742 PolarHBondContact O-N 2.99Å; N740-L742 VanDerWaalsContact C-N 3.31Å |
| 743 | N | 31.5 | Very low | 32.4 | Very low | 108 Ų | 108 | 101 Ų | 101 | 58% | 0.578 | 56% | 0.559 | S | S | * | * | trans | -116 | 47.8 | -172.2 | -80.6 | -15.7 | 0 | 0 | 0 | 115 | I739 S745 | I739-N743 WeakPolarHBondContact CG2-ND2 3.47Å; I739-N743 WeakPolarHBondContact O-CB 3.32Å; I739-N743 PolarHBondContact O-N 2.89Å; N743-S745 PolarHBondContact O-N 2.95Å | ||
| 744 | C | 30.6 | Very low | 32.4 | Very low | 113 Ų | 113 | 102.1 Ų | 102.1 | 76% | 0.764 | 56% | 0.56 | S | S | * | * | trans | -70.2 | 100.6 | 173.7 | -72 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 745 | S | 28.7 | Very low | 32.4 | Very low | 90 Ų | 90 | 105.5 Ų | 105.5 | 63% | 0.629 | 58% | 0.579 | S | S | * | * | trans | 75.4 | 124.9 | 158.3 | 72.3 | 0 | 0 | 0 | 0 | 120.3 | N743 | N743-S745 PolarHBondContact O-N 2.95Š| ||
| 746 | N | 30 | Very low | 32.3 | Very low | 149 Ų | 149 | 104.3 Ų | 104.3 | 80% | 0.797 | 58% | 0.578 | S | S | * | * | trans | -178.2 | 99.8 | 132.8 | -102.3 | -71.2 | 0 | 0 | 0 | 110.3 | Y748 | N746-Y748 PolarHBondContact O-N 3.45Š| ||
| 747 | D | 31 | Very low | 32.1 | Very low | 145 Ų | 145 | 106.1 Ų | 106.1 | 78% | 0.775 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 49.3 | -156.5 | -51.3 | -60 | 0 | 0 | 0 | 116.3 | ||
| 748 | Y | 33.7 | Very low | 32.2 | Very low | 210 Ų | 210 | 107.2 Ų | 107.2 | 82% | 0.824 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.5 | 4 | -176 | -116.5 | -94.7 | 0 | 0 | 0 | 117.2 | N746 | N746-Y748 PolarHBondContact O-N 3.45Š|
| 749 | L | 33.3 | Very low | 32 | Very low | 99 Ų | 99 | 110.7 Ų | 110.7 | 52% | 0.518 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -101.2 | -22.5 | -179.6 | -82.3 | 163 | 0 | 0 | 0 | 114.8 | T751 V752 C753 | L749-T751 PolarHBondContact O-N 3.15Å; L749-V752 PolarHBondContact O-N 3.43Å; L749-C753 PolarHBondContact O-N 3.37Å |
| 750 | S | 36.4 | Very low | 31.9 | Very low | 82 Ų | 82 | 114.2 Ų | 114.2 | 57% | 0.573 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -59.6 | -43.8 | -172.1 | 48.7 | 0 | 0 | 0 | 0 | 114.2 | V752 C753 E754 | S750-V752 PolarHBondContact O-N 3.31Å; S750-C753 PolarHBondContact O-N 3.49Å; S750-E754 PolarHBondContact O-N 2.94Å; S750-E754 VanDerWaalsContact O-N 3.15Å |
| 751 | T | 34.3 | Very low | 31.7 | Very low | 86 Ų | 86 | 118.2 Ų | 118.2 | 53% | 0.528 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -69.1 | -16.1 | -178.3 | 43.2 | 0 | 0 | 0 | 0 | 114.3 | L749 N755 | L749-T751 PolarHBondContact O-N 3.15Å; T751-N755 PolarHBondContact O-ND2 3.49Å |
| 752 | V | 34.3 | Very low | 31.3 | Very low | 99 Ų | 99 | 118.6 Ų | 118.6 | 60% | 0.6 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -82.3 | -40.9 | 172.1 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | L749 S750 N755 A756 | L749-V752 PolarHBondContact O-N 3.43Å; S750-V752 PolarHBondContact O-N 3.31Å; V752-N755 PolarHBondContact O-N 2.86Å; V752-A756 PolarHBondContact O-N 2.74Å |
| 753 | C | 32.2 | Very low | 31.2 | Very low | 48 Ų | 48 | 117.3 Ų | 117.3 | 32% | 0.324 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70.9 | -32.4 | -178.3 | -60.8 | 0 | 0 | 0 | 0 | 113.5 | L749 S750 N755 A756 K757 | L749-C753 PolarHBondContact O-N 3.37Å; S750-C753 PolarHBondContact O-N 3.49Å; C753-N755 VanDerWaalsContact C-N 3.3Å; C753-N755 PolarHBondContact O-N 2.92Å; C753-A756 PolarHBondContact O-N 3.2Å; C753-K757 PolarHBondContact O-N 3.39Å |
| 754 | E | 34.7 | Very low | 31 | Very low | 139 Ų | 139 | 120.4 Ų | 120.4 | 65% | 0.65 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -58 | -42.3 | 171.9 | -79.8 | -161.3 | 119.1 | 0 | 0 | 112.3 | S750 A756 K757 | S750-E754 PolarHBondContact O-N 2.94Å; S750-E754 VanDerWaalsContact O-N 3.15Å; E754-A756 PolarHBondContact O-N 2.96Å; E754-K757 PolarHBondContact O-N 2.66Å |
| 755 | N | 31.6 | Very low | 30.8 | Very low | 113 Ų | 113 | 121.3 Ų | 121.3 | 60% | 0.604 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.5 | -39.2 | 179.2 | -75.9 | -76.7 | 0 | 0 | 0 | 111.4 | T751 V752 C753 T758 | T751-N755 PolarHBondContact O-ND2 3.49Å; V752-N755 PolarHBondContact O-N 2.86Å; C753-N755 VanDerWaalsContact C-N 3.3Å; C753-N755 PolarHBondContact O-N 2.92Å; N755-T758 PolarHBondContact O-N 3.01Å; N755-T758 PolarHBondContact O-OG1 3.4Å |
| 756 | A | 31.4 | Very low | 30.8 | Very low | 37 Ų | 37 | 125.6 Ų | 125.6 | 31% | 0.306 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -63.1 | -39.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V752 C753 E754 T758 L759 | V752-A756 PolarHBondContact O-N 2.74Å; C753-A756 PolarHBondContact O-N 3.2Å; E754-A756 PolarHBondContact O-N 2.96Å; A756-T758 PolarHBondContact O-N 3.3Å; A756-L759 PolarHBondContact O-N 3.19Å; A756-L759 VanDerWaalsContact O-N 3.11Å |
| 757 | K | 31.2 | Very low | 30.6 | Very low | 152 Ų | 152 | 124.2 Ų | 124.2 | 66% | 0.661 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -9.5 | 176.8 | -90 | -173.9 | 172.5 | -179.8 | 0 | 114.7 | C753 E754 | C753-K757 PolarHBondContact O-N 3.39Å; E754-K757 PolarHBondContact O-N 2.66Å |
| 758 | T | 33 | Very low | 30.4 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 63% | 0.632 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -19.1 | 174 | 68.6 | 0 | 0 | 0 | 0 | 114.4 | N755 A756 | N755-T758 PolarHBondContact O-N 3.01Å; N755-T758 PolarHBondContact O-OG1 3.4Å; A756-T758 PolarHBondContact O-N 3.3Å |
| 759 | L | 27.1 | Very low | 30.2 | Very low | 138 Ų | 138 | 120.3 Ų | 120.3 | 72% | 0.723 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -22.5 | -169.6 | -77.8 | 160.6 | 0 | 0 | 0 | 115 | A756 | A756-L759 PolarHBondContact O-N 3.19Å; A756-L759 VanDerWaalsContact O-N 3.11Å |
| 760 | F | 29.9 | Very low | 30.4 | Very low | 154 Ų | 154 | 122 Ų | 122 | 68% | 0.675 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -105.2 | 16.4 | -170.2 | -68.9 | -80 | 0 | 0 | 0 | 114.9 | ||
| 761 | K | 27.2 | Very low | 30.6 | Very low | 182 Ų | 182 | 122.5 Ų | 122.5 | 79% | 0.791 | 66% | 0.657 | S | S | * | * | trans | -91.4 | 4.4 | -160.4 | -135.6 | 175.5 | -179.2 | 176.4 | 0 | 120.8 | ||||
| 762 | P | 25.2 | Very low | 31.2 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 79% | 0.786 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -125.1 | 54.9 | 179.8 | 43 | -32 | 0 | 0 | 0 | 116.3 | ||
| 763 | S | 27.2 | Very low | 31.6 | Very low | 95 Ų | 95 | 120.1 Ų | 120.1 | 66% | 0.664 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -154.1 | 144 | 166.2 | 53 | 0 | 0 | 0 | 0 | 112.1 | ||
| 764 | L | 28.6 | Very low | 32.2 | Very low | 174 Ų | 174 | 123.6 Ų | 123.6 | 91% | 0.911 | 64% | 0.643 | S | S | * | * | trans | 61.7 | 66.7 | -176.6 | -66.9 | 116 | 0 | 0 | 0 | 115.9 | H766 | L764-H766 PolarHBondContact O-N 3.1Š| ||
| 765 | T | 25.7 | Very low | 32.9 | Very low | 132 Ų | 132 | 120.9 Ų | 120.9 | 81% | 0.81 | 63% | 0.633 | S | S | * | * | trans | -75.5 | 104.6 | 155.3 | 49.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 766 | H | 28.1 | Very low | 33.6 | Very low | 179 Ų | 179 | 116.4 Ų | 116.4 | 83% | 0.829 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -179.9 | 131.6 | 143.7 | -100.2 | -64.9 | 0 | 0 | 0 | 111.5 | L764 | L764-H766 PolarHBondContact O-N 3.1Š|
| 767 | S | 26.3 | Very low | 34.3 | Very low | 121 Ų | 121 | 114.8 Ų | 114.8 | 85% | 0.846 | 60% | 0.596 | S | S | * | * | trans | 60.6 | 140.1 | -179 | 31 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 768 | E | 27.5 | Very low | 35.1 | Very low | 172 Ų | 172 | 110.7 Ų | 110.7 | 80% | 0.804 | 58% | 0.58 | S | S | * | * | trans | -103 | -179.4 | -171.8 | -68.2 | 163.9 | 131.1 | 0 | 0 | 110.9 | ||||
| 769 | D | 29.9 | Very low | 36 | Very low | 101 Ų | 101 | 109.3 Ų | 109.3 | 54% | 0.54 | 57% | 0.571 | S | S | . | * | trans | 72.5 | 37.6 | 169.2 | -49.8 | -26.8 | 0 | 0 | 0 | 119.8 | ||||
| 770 | H | 36 | Very low | 36.9 | Very low | 133 Ų | 133 | 105 Ų | 105 | 62% | 0.616 | 55% | 0.545 | S | S | * | . | trans | -105.5 | 129.6 | 157 | -76.4 | -72 | 0 | 0 | 0 | 111.6 | D772 | H770-D772 PolarHBondContact O-N 2.82Š| ||
| 771 | L | 41.2 | Very low | 37.9 | Very low | 94 Ų | 94 | 99.5 Ų | 99.5 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | trans | -70.1 | 110.7 | 167.9 | -110.8 | 82.1 | 0 | 0 | 0 | 109.5 | I735 L773 N932 | I735-L771 HydrophobicContact CD1-CD1 4.4Å; L771-L773 PolarHBondContact O-N 3.34Å; L771-N932 WeakPolarHBondContact CB-ND2 3.37Å; L771-N932 PolarHBondContact O-ND2 3.4Å | ||
| 772 | D | 46.5 | Very low | 39.2 | Very low | 115 Ų | 115 | 93.4 Ų | 93.4 | 62% | 0.615 | 50% | 0.499 | S | S | * | . | trans | -57.6 | 122.6 | 174.1 | -101.3 | -38.7 | 0 | 0 | 0 | 110.9 | H770 W774 D775 V776 | H770-D772 PolarHBondContact O-N 2.82Å; D772-W774 HydrophobicContact CB-CB 4.28Å; D772-W774 PolarHBondContact O-N 3.01Å; D772-D775 PolarHBondContact O-N 3.15Å; D772-V776 PolarHBondContact O-N 3.15Å | ||
| 773 | L | 43.2 | Very low | 40.5 | Very low | 20 Ų | 20 | 95.8 Ų | 95.8 | 11% | 0.105 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -54.3 | -24.8 | 168 | -168.3 | 75.1 | 0 | 0 | 0 | 110.8 | L771 V776 I777 L901 A905 A929 | L771-L773 PolarHBondContact O-N 3.34Å; L773-V776 WeakPolarHBondContact O-CB 3.32Å; L773-V776 PolarHBondContact O-N 3.38Å; L773-I777 HydrophobicContact CD2-CD1 4.14Å; L773-I777 HydrophobicContact CG-CD1 4Å; L773-I777 WeakPolarHBondContact O-CD1 3.49Å; L773-I777 VanDerWaalsContact O-CG1 3.32Å; L773-I777 WeakPolarHBondContact O-CG1 3.21Å; L773-I777 PolarHBondContact O-N 3.32Å; L773-L901 HydrophobicContact CD1-CD2 3.87Å; L773-L901 HydrophobicContact CD2-CD2 4.37Å; L773-L901 HydrophobicContact CG-CD2 4.25Å; L773-A905 HydrophobicContact CD2-CB 4.27Å; L773-A929 HydrophobicContact CD1-CB 4.49Å |
| 774 | W | 45.3 | Very low | 41.5 | Very low | 120 Ų | 120 | 92 Ų | 92 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 176.6 | -147.4 | -137.8 | 0 | 0 | 0 | 113.3 | D772 V776 I777 Q778 F902 | D772-W774 HydrophobicContact CB-CB 4.28Å; D772-W774 PolarHBondContact O-N 3.01Å; W774-V776 VanDerWaalsContact C-N 3.32Å; W774-V776 PolarHBondContact O-N 3.25Å; W774-I777 HydrophobicContact CE3-CB 4.1Å; W774-I777 HydrophobicContact CE3-CD1 3.74Å; W774-I777 HydrophobicContact CE3-CG2 4.1Å; W774-I777 HydrophobicContact CZ3-CB 4.32Å; W774-I777 HydrophobicContact CZ3-CD1 3.96Å; W774-I777 HydrophobicContact CZ3-CG2 3.83Å; W774-I777 PolarHBondContact O-N 3.44Å; W774-Q778 VanDerWaalsContact O-CB 3.23Å; W774-Q778 WeakPolarHBondContact O-CB 3.16Å; W774-Q778 PolarHBondContact O-N 3.36Å; W774-F902 HydrophobicContact CH2-CE1 4.24Å; W774-F902 HydrophobicContact CH2-CE2 4.43Å; W774-F902 AromaticContact CH2-CZ 3.7Å; W774-F902 HydrophobicContact CH2-CZ 3.7Å; W774-F902 HydrophobicContact CZ3-CE1 4.31Å; W774-F902 HydrophobicContact CZ3-CE2 4.35Å; W774-F902 AromaticContact CZ3-CZ 3.9Å; W774-F902 HydrophobicContact CZ3-CZ 3.9Å |
| 775 | D | 48.9 | Very low | 42.4 | Very low | 82 Ų | 82 | 89.6 Ų | 89.6 | 44% | 0.439 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.3 | -30.7 | 171.8 | -99.4 | -13.8 | 0 | 0 | 0 | 111.4 | D772 Q778 T779 | D772-D775 PolarHBondContact O-N 3.15Å; D775-Q778 PolarHBondContact O-N 3.49Å; D775-T779 WeakPolarHBondContact O-CB 3.4Å; D775-T779 VanDerWaalsContact O-CG2 3.31Å; D775-T779 WeakPolarHBondContact O-CG2 3.5Å; D775-T779 PolarHBondContact O-N 3.44Å; D775-T779 PolarHBondContact O-OG1 2.78Å |
| 776 | V | 47 | Very low | 43.5 | Very low | 19 Ų | 19 | 86 Ų | 86 | 12% | 0.115 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -67.9 | -41 | 172.5 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | D772 L773 W774 T779 R780 T925 | D772-V776 PolarHBondContact O-N 3.15Å; L773-V776 WeakPolarHBondContact O-CB 3.32Å; L773-V776 PolarHBondContact O-N 3.38Å; W774-V776 VanDerWaalsContact C-N 3.32Å; W774-V776 PolarHBondContact O-N 3.25Å; V776-T779 PolarHBondContact O-OG1 2.83Å; V776-R780 WeakPolarHBondContact O-CB 3.35Å; V776-R780 WeakPolarHBondContact O-CG 3.44Å; V776-R780 PolarHBondContact O-N 3.15Å; V776-R780 VanDerWaalsContact O-N 3.14Å; V776-T925 HydrophobicContact CG1-CG2 3.76Å |
| 777 | I | 46 | Very low | 44.5 | Very low | 3 Ų | 3 | 77.5 Ų | 77.5 | 2% | 0.015 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -69.3 | -39.7 | 174.9 | -70.1 | 158.4 | 0 | 0 | 0 | 110.7 | L773 W774 R780 L781 L901 | L773-I777 HydrophobicContact CD2-CD1 4.14Å; L773-I777 HydrophobicContact CG-CD1 4Å; L773-I777 WeakPolarHBondContact O-CD1 3.49Å; L773-I777 VanDerWaalsContact O-CG1 3.32Å; L773-I777 WeakPolarHBondContact O-CG1 3.21Å; L773-I777 PolarHBondContact O-N 3.32Å; W774-I777 HydrophobicContact CE3-CB 4.1Å; W774-I777 HydrophobicContact CE3-CD1 3.74Å; W774-I777 HydrophobicContact CE3-CG2 4.1Å; W774-I777 HydrophobicContact CZ3-CB 4.32Å; W774-I777 HydrophobicContact CZ3-CD1 3.96Å; W774-I777 HydrophobicContact CZ3-CG2 3.83Å; W774-I777 PolarHBondContact O-N 3.44Å; I777-R780 WeakPolarHBondContact O-CB 3.12Å; I777-R780 PolarHBondContact O-N 3.37Å; I777-L781 HydrophobicContact CG2-CD1 3.92Å; I777-L781 HydrophobicContact CG2-CG 4.49Å; I777-L781 VanDerWaalsContact O-CG 3.29Å; I777-L781 WeakPolarHBondContact O-CG 3.41Å; I777-L781 PolarHBondContact O-N 3.39Å; I777-L901 HydrophobicContact CD1-CB 4.07Å; I777-L901 HydrophobicContact CD1-CD2 4.49Å; I777-L901 HydrophobicContact CG1-CB 3.98Å; I777-L901 HydrophobicContact CG1-CD1 3.95Å; I777-L901 HydrophobicContact CG1-CD2 4.22Å; I777-L901 HydrophobicContact CG1-CG 4.27Å |
| 778 | Q | 47.9 | Very low | 45.4 | Very low | 66 Ų | 66 | 76 Ų | 76 | 31% | 0.308 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.8 | -42.3 | -179.8 | -161.9 | 158.7 | -81.1 | 0 | 0 | 111.7 | W774 D775 R780 L781 D782 | W774-Q778 VanDerWaalsContact O-CB 3.23Å; W774-Q778 WeakPolarHBondContact O-CB 3.16Å; W774-Q778 PolarHBondContact O-N 3.36Å; D775-Q778 PolarHBondContact O-N 3.49Å; Q778-R780 VanDerWaalsContact C-N 3.29Å; Q778-R780 PolarHBondContact O-N 2.87Å; Q778-L781 PolarHBondContact O-N 3.28Å; Q778-D782 PolarHBondContact O-N 3.36Å |
| 779 | T | 50.9 | Low | 46.1 | Very low | 74 Ų | 74 | 70.7 Ų | 70.7 | 45% | 0.454 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.2 | -23.4 | 172.9 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | D775 V776 K783 | D775-T779 WeakPolarHBondContact O-CB 3.4Å; D775-T779 VanDerWaalsContact O-CG2 3.31Å; D775-T779 WeakPolarHBondContact O-CG2 3.5Å; D775-T779 PolarHBondContact O-N 3.44Å; D775-T779 PolarHBondContact O-OG1 2.78Å; V776-T779 PolarHBondContact O-OG1 2.83Å; T779-K783 WeakPolarHBondContact O-CG 3.21Å |
| 780 | R | 46.4 | Very low | 46.8 | Very low | 49 Ų | 49 | 67.4 Ų | 67.4 | 19% | 0.185 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.8 | -48.5 | 166.3 | -77.6 | -86.8 | 171.9 | -163 | -11.6 | 111.6 | V776 I777 Q778 D782 K783 D922 T925 | V776-R780 WeakPolarHBondContact O-CB 3.35Å; V776-R780 WeakPolarHBondContact O-CG 3.44Å; V776-R780 PolarHBondContact O-N 3.15Å; V776-R780 VanDerWaalsContact O-N 3.14Å; I777-R780 WeakPolarHBondContact O-CB 3.12Å; I777-R780 PolarHBondContact O-N 3.37Å; Q778-R780 VanDerWaalsContact C-N 3.29Å; Q778-R780 PolarHBondContact O-N 2.87Å; R780-D782 VanDerWaalsContact C-N 3.31Å; R780-D782 PolarHBondContact O-N 3.37Å; R780-K783 PolarHBondContact O-N 3.18Å; R780-D922 IonicContact CZ-OD1 3.92Å; R780-D922 IonicContact NH1-OD1 3.95Å; R780-D922 PolarHBondContact NH1-OD1 3.26Å; R780-D922 IonicContact NH1-OD2 2.89Å; R780-D922 VanDerWaalsContact NH2-CG 3.29Å; R780-D922 IonicContact NH2-OD1 3.44Å; R780-D922 PolarHBondContact NH2-OD1 2.92Å; R780-T925 PolarHBondContact NH2-OG1 3.03Å |
| 781 | L | 51.6 | Low | 47.1 | Very low | 37 Ų | 37 | 62.6 Ų | 62.6 | 19% | 0.194 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.6 | -35.2 | 178.3 | -72.7 | 166.9 | 0 | 0 | 0 | 112.4 | I777 Q778 K783 V787 K788 L791 | I777-L781 HydrophobicContact CG2-CD1 3.92Å; I777-L781 HydrophobicContact CG2-CG 4.49Å; I777-L781 VanDerWaalsContact O-CG 3.29Å; I777-L781 WeakPolarHBondContact O-CG 3.41Å; I777-L781 PolarHBondContact O-N 3.39Å; Q778-L781 PolarHBondContact O-N 3.28Å; L781-K783 PolarHBondContact O-N 2.92Å; L781-V787 HydrophobicContact CD2-CG1 4.37Å; L781-K788 VanDerWaalsContact O-CE 3.25Å; L781-K788 WeakPolarHBondContact O-CE 3.39Å; L781-L791 HydrophobicContact CD2-CD1 4.04Å; L781-L791 HydrophobicContact CD2-CD2 3.73Å |
| 782 | D | 54.6 | Low | 47.1 | Very low | 54 Ų | 54 | 60.4 Ų | 60.4 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.2 | -29.9 | 179.5 | -86.4 | -35.1 | 0 | 0 | 0 | 114.3 | Q778 R780 S784 K788 | Q778-D782 PolarHBondContact O-N 3.36Å; R780-D782 VanDerWaalsContact C-N 3.31Å; R780-D782 PolarHBondContact O-N 3.37Å; D782-S784 VanDerWaalsContact C-N 3.34Å; D782-S784 PolarHBondContact O-N 2.82Å; D782-K788 WeakPolarHBondContact OD1-CE 3.08Å; D782-K788 IonicContact OD1-NZ 2.68Å; D782-K788 PolarHBondContact OD1-NZ 3.04Å |
| 783 | K | 51.9 | Low | 46.9 | Very low | 172 Ų | 172 | 61.5 Ų | 61.5 | 75% | 0.748 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -6.1 | -172.5 | -78.1 | 177 | 178.9 | -178.7 | 0 | 115.6 | T779 R780 L781 | T779-K783 WeakPolarHBondContact O-CG 3.21Å; R780-K783 PolarHBondContact O-N 3.18Å; L781-K783 PolarHBondContact O-N 2.92Å |
| 784 | S | 48.6 | Very low | 46.6 | Very low | 14 Ų | 14 | 65.4 Ų | 65.4 | 10% | 0.098 | 35% | 0.345 | C | S | . | . | trans | -139.1 | 110.5 | -176.8 | 44.7 | 0 | 0 | 0 | 0 | 113.8 | D782 S786 V787 K788 | D782-S784 VanDerWaalsContact C-N 3.34Å; D782-S784 PolarHBondContact O-N 2.82Å; S784-S786 VanDerWaalsContact C-N 3.33Å; S784-S786 PolarHBondContact O-N 3.19Å; S784-V787 PolarHBondContact O-N 3Å; S784-V787 VanDerWaalsContact OG-CB 3.31Å; S784-V787 WeakPolarHBondContact OG-CB 3.25Å; S784-V787 VanDerWaalsContact OG-CG2 3.29Å; S784-V787 WeakPolarHBondContact OG-CG2 3.18Å; S784-K788 PolarHBondContact O-N 2.82Å | ||
| 785 | T | 47 | Very low | 46.2 | Very low | 125 Ų | 125 | 63.6 Ų | 63.6 | 77% | 0.767 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.7 | -33.2 | 177.6 | 47.8 | 0 | 0 | 0 | 0 | 112.8 | K788 S789 | T785-K788 PolarHBondContact O-N 3.28Å; T785-S789 PolarHBondContact O-N 3.1Å; T785-S789 VanDerWaalsContact O-N 3.11Å; T785-S789 PolarHBondContact O-OG 2.86Å |
| 786 | S | 48.7 | Very low | 45.5 | Very low | 55 Ų | 55 | 62.4 Ų | 62.4 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.8 | -49.2 | 172.2 | 60.6 | 0 | 0 | 0 | 0 | 110.8 | S784 K788 S789 S790 | S784-S786 VanDerWaalsContact C-N 3.33Å; S784-S786 PolarHBondContact O-N 3.19Å; S786-K788 VanDerWaalsContact C-N 3.32Å; S786-K788 PolarHBondContact O-N 3.39Å; S786-S789 CarbonylContact O-C 3.5Å; S786-S789 WeakPolarHBondContact O-CA 3.48Å; S786-S789 PolarHBondContact O-N 2.89Å; S786-S789 PolarHBondContact O-OG 2.58Å; S786-S790 PolarHBondContact O-N 3.18Å; S786-S790 PolarHBondContact O-OG 2.92Å |
| 787 | V | 49.1 | Very low | 45.1 | Very low | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.9 | -32 | -179.6 | 178.6 | 0 | 0 | 0 | 0 | 111.6 | L781 S784 S790 L791 I894 | L781-V787 HydrophobicContact CD2-CG1 4.37Å; S784-V787 PolarHBondContact O-N 3Å; S784-V787 VanDerWaalsContact OG-CB 3.31Å; S784-V787 WeakPolarHBondContact OG-CB 3.25Å; S784-V787 VanDerWaalsContact OG-CG2 3.29Å; S784-V787 WeakPolarHBondContact OG-CG2 3.18Å; V787-S790 PolarHBondContact O-N 3.47Å; V787-L791 HydrophobicContact CG1-CD1 3.62Å; V787-L791 WeakPolarHBondContact O-CB 3.42Å; V787-L791 WeakPolarHBondContact O-CD1 3.49Å; V787-L791 PolarHBondContact O-N 3.49Å; V787-I894 HydrophobicContact CG1-CG2 4.41Å; V787-I894 HydrophobicContact CG2-CB 3.97Å; V787-I894 HydrophobicContact CG2-CD1 4.28Å; V787-I894 HydrophobicContact CG2-CG2 3.9Å |
| 788 | K | 44.6 | Very low | 44.5 | Very low | 91 Ų | 91 | 73.4 Ų | 73.4 | 40% | 0.396 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 169.1 | -76.7 | -177.1 | 171.6 | 174.8 | 0 | 112.8 | L781 D782 S784 T785 S786 S792 | L781-K788 VanDerWaalsContact O-CE 3.25Å; L781-K788 WeakPolarHBondContact O-CE 3.39Å; D782-K788 WeakPolarHBondContact OD1-CE 3.08Å; D782-K788 IonicContact OD1-NZ 2.68Å; D782-K788 PolarHBondContact OD1-NZ 3.04Å; S784-K788 PolarHBondContact O-N 2.82Å; T785-K788 PolarHBondContact O-N 3.28Å; S786-K788 VanDerWaalsContact C-N 3.32Å; S786-K788 PolarHBondContact O-N 3.39Å; K788-S792 WeakPolarHBondContact O-CB 3.12Å; K788-S792 PolarHBondContact O-N 2.98Å; K788-S792 PolarHBondContact O-OG 3.35Å |
| 789 | S | 43.6 | Very low | 43.9 | Very low | 60 Ų | 60 | 79.6 Ų | 79.6 | 42% | 0.42 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -73.5 | -38.2 | 170.6 | 49.6 | 0 | 0 | 0 | 0 | 113.4 | T785 S786 S792 I793 | T785-S789 PolarHBondContact O-N 3.1Å; T785-S789 VanDerWaalsContact O-N 3.11Å; T785-S789 PolarHBondContact O-OG 2.86Å; S786-S789 CarbonylContact O-C 3.5Å; S786-S789 WeakPolarHBondContact O-CA 3.48Å; S786-S789 PolarHBondContact O-N 2.89Å; S786-S789 PolarHBondContact O-OG 2.58Å; S789-S792 PolarHBondContact O-N 3.24Å; S789-S792 PolarHBondContact O-OG 3.43Å; S789-I793 WeakPolarHBondContact O-CD1 3.47Å; S789-I793 VanDerWaalsContact O-CG1 3.28Å; S789-I793 WeakPolarHBondContact O-CG1 3.25Å; S789-I793 PolarHBondContact O-N 3.34Å |
| 790 | S | 43.3 | Very low | 43.5 | Very low | 32 Ų | 32 | 82.8 Ų | 82.8 | 22% | 0.224 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 174.8 | -59.1 | 0 | 0 | 0 | 0 | 110.2 | S786 V787 I793 L794 E892 | S786-S790 PolarHBondContact O-N 3.18Å; S786-S790 PolarHBondContact O-OG 2.92Å; V787-S790 PolarHBondContact O-N 3.47Å; S790-I793 PolarHBondContact O-N 3.38Å; S790-L794 VanDerWaalsContact O-CB 3.3Å; S790-L794 WeakPolarHBondContact O-CB 3.43Å; S790-L794 PolarHBondContact O-N 3.19Å; S790-E892 WeakPolarHBondContact CB-OE2 3.29Å; S790-E892 PolarHBondContact OG-OE2 2.69Å |
| 791 | L | 42.6 | Very low | 43.2 | Very low | 31 Ų | 31 | 85 Ų | 85 | 16% | 0.162 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -68.5 | -35.5 | 174.9 | -98.6 | 87.5 | 0 | 0 | 0 | 113.2 | L781 V787 I793 L794 L795 L895 | L781-L791 HydrophobicContact CD2-CD1 4.04Å; L781-L791 HydrophobicContact CD2-CD2 3.73Å; V787-L791 HydrophobicContact CG1-CD1 3.62Å; V787-L791 WeakPolarHBondContact O-CB 3.42Å; V787-L791 WeakPolarHBondContact O-CD1 3.49Å; V787-L791 PolarHBondContact O-N 3.49Å; L791-I793 PolarHBondContact O-N 2.86Å; L791-L794 PolarHBondContact O-N 3.49Å; L791-L795 HydrophobicContact CB-CD1 4.46Å; L791-L795 HydrophobicContact CD2-CD1 4.23Å; L791-L795 WeakPolarHBondContact O-CB 3.34Å; L791-L795 VanDerWaalsContact O-CG 3.26Å; L791-L795 WeakPolarHBondContact O-CG 3.44Å; L791-L795 PolarHBondContact O-N 3.29Å; L791-L895 HydrophobicContact CD1-CD1 4.02Å |
| 792 | S | 41.2 | Very low | 42.5 | Very low | 49 Ų | 49 | 92.3 Ų | 92.3 | 34% | 0.343 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.5 | -30.3 | 176.2 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | K788 S789 G796 Y797 | K788-S792 WeakPolarHBondContact O-CB 3.12Å; K788-S792 PolarHBondContact O-N 2.98Å; K788-S792 PolarHBondContact O-OG 3.35Å; S789-S792 PolarHBondContact O-N 3.24Å; S789-S792 PolarHBondContact O-OG 3.43Å; S792-G796 PolarHBondContact O-N 2.91Å; S792-Y797 PolarHBondContact O-N 3.48Å |
| 793 | I | 41.7 | Very low | 41.7 | Very low | 137 Ų | 137 | 97.1 Ų | 97.1 | 70% | 0.703 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -73.9 | -44.4 | 170.6 | -66.2 | 165.3 | 0 | 0 | 0 | 110.6 | S789 S790 L791 L795 G796 | S789-I793 WeakPolarHBondContact O-CD1 3.47Å; S789-I793 VanDerWaalsContact O-CG1 3.28Å; S789-I793 WeakPolarHBondContact O-CG1 3.25Å; S789-I793 PolarHBondContact O-N 3.34Å; S790-I793 PolarHBondContact O-N 3.38Å; L791-I793 PolarHBondContact O-N 2.86Å; I793-L795 VanDerWaalsContact C-N 3.3Å; I793-L795 PolarHBondContact O-N 3.09Å; I793-G796 PolarHBondContact O-N 3.22Å |
| 794 | L | 37.2 | Very low | 41.1 | Very low | 102 Ų | 102 | 95.1 Ų | 95.1 | 53% | 0.534 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -30.9 | 178.8 | -152 | 78.7 | 0 | 0 | 0 | 113 | S790 L791 L895 | S790-L794 VanDerWaalsContact O-CB 3.3Å; S790-L794 WeakPolarHBondContact O-CB 3.43Å; S790-L794 PolarHBondContact O-N 3.19Å; L791-L794 PolarHBondContact O-N 3.49Å; L794-L895 HydrophobicContact CD2-CD1 4.4Å |
| 795 | L | 38 | Very low | 40.6 | Very low | 83 Ų | 83 | 101.5 Ų | 101.5 | 44% | 0.435 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 10.3 | 178.5 | -62.7 | 172.3 | 0 | 0 | 0 | 113.1 | L791 I793 Y797 L846 | L791-L795 HydrophobicContact CB-CD1 4.46Å; L791-L795 HydrophobicContact CD2-CD1 4.23Å; L791-L795 WeakPolarHBondContact O-CB 3.34Å; L791-L795 VanDerWaalsContact O-CG 3.26Å; L791-L795 WeakPolarHBondContact O-CG 3.44Å; L791-L795 PolarHBondContact O-N 3.29Å; I793-L795 VanDerWaalsContact C-N 3.3Å; I793-L795 PolarHBondContact O-N 3.09Å; L795-Y797 VanDerWaalsContact C-N 3.34Å; L795-Y797 HydrophobicContact CB-CD2 4.05Å; L795-Y797 HydrophobicContact CB-CE2 4.43Å; L795-Y797 WeakPolarHBondContact O-CD2 3.41Å; L795-Y797 PolarHBondContact O-N 3.33Å; L795-L846 HydrophobicContact CD2-CD1 4.44Å |
| 796 | G | 34.4 | Very low | 40.1 | Very low | 57 Ų | 57 | 102.6 Ų | 102.6 | 59% | 0.588 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 18.7 | 170 | 0 | 0 | 0 | 0 | 0 | 116.4 | S792 I793 S798 | S792-G796 PolarHBondContact O-N 2.91Å; I793-G796 PolarHBondContact O-N 3.22Å; G796-S798 PolarHBondContact O-N 3.15Å |
| 797 | Y | 37.1 | Very low | 39.7 | Very low | 191 Ų | 191 | 109 Ų | 109 | 75% | 0.749 | 55% | 0.552 | S | S | * | * | trans | -83.9 | 57.7 | -179.3 | -80.9 | -81.3 | 0 | 0 | 0 | 113 | S792 L795 | S792-Y797 PolarHBondContact O-N 3.48Å; L795-Y797 VanDerWaalsContact C-N 3.34Å; L795-Y797 HydrophobicContact CB-CD2 4.05Å; L795-Y797 HydrophobicContact CB-CE2 4.43Å; L795-Y797 WeakPolarHBondContact O-CD2 3.41Å; L795-Y797 PolarHBondContact O-N 3.33Å | ||
| 798 | S | 33.3 | Very low | 39.3 | Very low | 61 Ų | 61 | 113.4 Ų | 113.4 | 43% | 0.427 | 58% | 0.583 | S | S | . | * | trans | -95.1 | 144.4 | 166.8 | 152.4 | 0 | 0 | 0 | 0 | 110.6 | G796 Q800 D801 | G796-S798 PolarHBondContact O-N 3.15Å; S798-Q800 VanDerWaalsContact C-N 3.34Å; S798-Q800 PolarHBondContact OG-N 2.66Å; S798-D801 WeakPolarHBondContact CB-OD2 3.38Å; S798-D801 PolarHBondContact OG-OD2 2.04Å | ||
| 799 | K | 36.6 | Very low | 39 | Very low | 197 Ų | 197 | 115 Ų | 115 | 86% | 0.857 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -87.6 | -3.9 | -175.6 | -150 | 173.6 | -174.6 | 175.8 | 0 | 113.3 | ||
| 800 | Q | 42.6 | Very low | 39.1 | Very low | 141 Ų | 141 | 116.1 Ų | 116.1 | 66% | 0.659 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -84.6 | -47.6 | 177.6 | -106.4 | 76.7 | -0.4 | 0 | 0 | 111.9 | S798 F802 Q803 | S798-Q800 VanDerWaalsContact C-N 3.34Å; S798-Q800 PolarHBondContact OG-N 2.66Å; Q800-F802 PolarHBondContact O-N 3.07Å; Q800-Q803 PolarHBondContact O-N 2.81Å; Q800-Q803 VanDerWaalsContact O-N 3.12Å |
| 801 | D | 40.6 | Very low | 39.6 | Very low | 96 Ų | 96 | 118 Ų | 118 | 51% | 0.513 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.2 | -12.3 | -163.8 | -50 | -83.3 | 0 | 0 | 0 | 114.4 | S798 Q803 | S798-D801 WeakPolarHBondContact CB-OD2 3.38Å; S798-D801 PolarHBondContact OG-OD2 2.04Å; D801-Q803 VanDerWaalsContact C-N 3.25Å; D801-Q803 PolarHBondContact O-N 3.15Å |
| 802 | F | 35.6 | Very low | 40.6 | Very low | 189 Ų | 189 | 124.3 Ų | 124.3 | 83% | 0.829 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -9.8 | 175.9 | -135 | -84 | 0 | 0 | 0 | 113.8 | Q800 | Q800-F802 PolarHBondContact O-N 3.07Š|
| 803 | Q | 38.4 | Very low | 41.4 | Very low | 156 Ų | 156 | 123.7 Ų | 123.7 | 73% | 0.729 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -34.9 | 178.1 | -62.8 | -161.9 | -53.8 | 0 | 0 | 113.1 | Q800 D801 F805 | Q800-Q803 PolarHBondContact O-N 2.81Å; Q800-Q803 VanDerWaalsContact O-N 3.12Å; D801-Q803 VanDerWaalsContact C-N 3.25Å; D801-Q803 PolarHBondContact O-N 3.15Å; Q803-F805 PolarHBondContact O-N 2.88Å |
| 804 | D | 38.5 | Very low | 42.5 | Very low | 129 Ų | 129 | 121.3 Ų | 121.3 | 69% | 0.69 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -81.6 | -13 | -172.6 | -64 | -17 | 0 | 0 | 0 | 113.7 | N806 | D804-N806 PolarHBondContact O-N 3.1Å; D804-N806 VanDerWaalsContact O-N 3.09Å |
| 805 | F | 38.5 | Very low | 43.9 | Very low | 149 Ų | 149 | 119.8 Ų | 119.8 | 65% | 0.654 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -69.8 | -6.3 | -174 | -135.9 | -87 | 0 | 0 | 0 | 115.1 | Q803 L841 | Q803-F805 PolarHBondContact O-N 2.88Å; F805-L841 HydrophobicContact CE2-CD1 4.02Å |
| 806 | N | 36.6 | Very low | 45.3 | Very low | 147 Ų | 147 | 117.7 Ų | 117.7 | 79% | 0.786 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -89.5 | -16.4 | -173.1 | -83.2 | -49.4 | 0 | 0 | 0 | 115.6 | D804 | D804-N806 PolarHBondContact O-N 3.1Å; D804-N806 VanDerWaalsContact O-N 3.09Å |
| 807 | E | 39.9 | Very low | 46.8 | Very low | 189 Ų | 189 | 116 Ų | 116 | 88% | 0.883 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -109.5 | -12.2 | -166.4 | -62.2 | -158 | 137.1 | 0 | 0 | 116 | ||
| 808 | S | 40.6 | Very low | 48.3 | Very low | 95 Ų | 95 | 111.9 Ų | 111.9 | 66% | 0.664 | 58% | 0.581 | S | S | * | * | trans | -151.6 | 95 | -175.2 | 63.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 809 | T | 39.1 | Very low | 50.1 | Low | 123 Ų | 123 | 116.7 Ų | 116.7 | 76% | 0.755 | 59% | 0.591 | S | S | * | * | trans | -171 | 151.4 | 133.5 | 16.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 810 | S | 46.2 | Very low | 51.7 | Low | 85 Ų | 85 | 107.4 Ų | 107.4 | 59% | 0.594 | 55% | 0.551 | S | S | * | * | trans | -45.6 | 128.7 | -173.6 | 52.6 | 0 | 0 | 0 | 0 | 117.3 | Q812 | S810-Q812 PolarHBondContact O-N 2.67Š| ||
| 811 | S | 53.6 | Low | 52.4 | Low | 71 Ų | 71 | 104.6 Ų | 104.6 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.2 | -35.3 | -175.8 | 74.1 | 0 | 0 | 0 | 0 | 115.3 | L813 L814 D815 | S811-L813 VanDerWaalsContact C-N 3.32Å; S811-L813 PolarHBondContact O-N 3.43Å; S811-L813 VanDerWaalsContact O-N 3.17Å; S811-L814 CarbonylContact O-C 3.57Å; S811-L814 WeakPolarHBondContact O-CA 3.49Å; S811-L814 WeakPolarHBondContact O-CB 3.48Å; S811-L814 PolarHBondContact O-N 2.71Å; S811-D815 WeakPolarHBondContact CB-OD2 3.46Å; S811-D815 VanDerWaalsContact O-CG 3.31Å; S811-D815 PolarHBondContact O-N 3.25Å; S811-D815 PolarHBondContact OG-OD2 2.96Å |
| 812 | Q | 62.1 | Low | 53.8 | Low | 164 Ų | 164 | 105.9 Ų | 105.9 | 77% | 0.766 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -58.8 | -35.4 | -167.7 | -70.1 | -179.7 | -15.8 | 0 | 0 | 114.8 | S810 A816 | S810-Q812 PolarHBondContact O-N 2.67Å; Q812-A816 WeakPolarHBondContact O-CB 3.48Å; Q812-A816 PolarHBondContact O-N 3Å |
| 813 | L | 59.5 | Low | 55.5 | Low | 35 Ų | 35 | 100 Ų | 100 | 18% | 0.183 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -76.4 | -35.7 | 176 | -91 | 168.8 | 0 | 0 | 0 | 112.5 | S811 D815 A816 L817 L832 K837 F838 | S811-L813 VanDerWaalsContact C-N 3.32Å; S811-L813 PolarHBondContact O-N 3.43Å; S811-L813 VanDerWaalsContact O-N 3.17Å; L813-D815 VanDerWaalsContact C-N 3.32Å; L813-A816 PolarHBondContact O-N 3.39Å; L813-L817 WeakPolarHBondContact O-CB 3.41Å; L813-L817 PolarHBondContact O-N 3.32Å; L813-L832 HydrophobicContact CD2-CD2 3.91Å; L813-K837 HydrophobicContact CD1-CB 3.61Å; L813-K837 HydrophobicContact CD1-CD 3.73Å; L813-K837 HydrophobicContact CD1-CG 4.31Å; L813-F838 HydrophobicContact CB-CE2 4.33Å; L813-F838 HydrophobicContact CB-CZ 4Å; L813-F838 HydrophobicContact CD2-CE2 4.45Å |
| 814 | L | 63 | Low | 56.6 | Low | 88 Ų | 88 | 98.3 Ų | 98.3 | 46% | 0.461 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.3 | -37.3 | 173.9 | -171.6 | 68.5 | 0 | 0 | 0 | 110.6 | S811 L817 K818 | S811-L814 CarbonylContact O-C 3.57Å; S811-L814 WeakPolarHBondContact O-CA 3.49Å; S811-L814 WeakPolarHBondContact O-CB 3.48Å; S811-L814 PolarHBondContact O-N 2.71Å; L814-L817 PolarHBondContact O-N 3.48Å; L814-K818 VanDerWaalsContact O-CG 3.26Å; L814-K818 WeakPolarHBondContact O-CG 3.35Å; L814-K818 PolarHBondContact O-N 3.3Å |
| 815 | D | 67.1 | Low | 58.2 | Low | 70 Ų | 70 | 95.2 Ų | 95.2 | 37% | 0.374 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.4 | -34.4 | 175.2 | -63.2 | -31.7 | 0 | 0 | 0 | 112 | S811 L813 K818 Y819 | S811-D815 WeakPolarHBondContact CB-OD2 3.46Å; S811-D815 VanDerWaalsContact O-CG 3.31Å; S811-D815 PolarHBondContact O-N 3.25Å; S811-D815 PolarHBondContact OG-OD2 2.96Å; L813-D815 VanDerWaalsContact C-N 3.32Å; D815-K818 IonicContact OD1-NZ 2.76Å; D815-K818 PolarHBondContact OD1-NZ 3.36Å; D815-Y819 VanDerWaalsContact O-CB 3.28Å; D815-Y819 WeakPolarHBondContact O-CB 3.47Å; D815-Y819 PolarHBondContact O-N 2.99Å |
| 816 | A | 68.2 | Low | 59.6 | Low | 39 Ų | 39 | 89 Ų | 89 | 32% | 0.322 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q812 L813 Y819 A820 L832 | Q812-A816 WeakPolarHBondContact O-CB 3.48Å; Q812-A816 PolarHBondContact O-N 3Å; L813-A816 PolarHBondContact O-N 3.39Å; A816-Y819 PolarHBondContact O-N 3Å; A816-A820 WeakPolarHBondContact O-CB 3.35Å; A816-A820 PolarHBondContact O-N 3.2Å; A816-L832 HydrophobicContact CB-CD1 4.41Å |
| 817 | L | 64.6 | Low | 61.2 | Low | 20 Ų | 20 | 86.7 Ų | 86.7 | 11% | 0.105 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -71.6 | -39.5 | 176.7 | -172.7 | 146.8 | 0 | 0 | 0 | 111.9 | L813 L814 Y819 A820 L821 L832 F838 L849 | L813-L817 WeakPolarHBondContact O-CB 3.41Å; L813-L817 PolarHBondContact O-N 3.32Å; L814-L817 PolarHBondContact O-N 3.48Å; L817-Y819 VanDerWaalsContact C-N 3.3Å; L817-Y819 PolarHBondContact O-N 3.27Å; L817-A820 PolarHBondContact O-N 2.73Å; L817-L821 HydrophobicContact CD2-CD1 3.69Å; L817-L821 HydrophobicContact CD2-CG 4.41Å; L817-L821 WeakPolarHBondContact O-CB 3.31Å; L817-L821 VanDerWaalsContact O-CG 3.31Å; L817-L821 WeakPolarHBondContact O-CG 3.35Å; L817-L821 PolarHBondContact O-N 3.27Å; L817-L832 HydrophobicContact CB-CD1 4.46Å; L817-L832 HydrophobicContact CD1-CB 4.26Å; L817-F838 HydrophobicContact CB-CZ 4.39Å; L817-F838 HydrophobicContact CD1-CE2 4.05Å; L817-F838 HydrophobicContact CD1-CZ 3.95Å; L817-L849 HydrophobicContact CD1-CD2 3.7Å |
| 818 | K | 69.2 | Low | 62.6 | Low | 105 Ų | 105 | 80 Ų | 80 | 46% | 0.457 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -57.1 | -43.9 | 166.7 | -72.1 | 169.2 | -161.3 | 155.3 | 0 | 111.3 | L814 D815 L821 V822 | L814-K818 VanDerWaalsContact O-CG 3.26Å; L814-K818 WeakPolarHBondContact O-CG 3.35Å; L814-K818 PolarHBondContact O-N 3.3Å; D815-K818 IonicContact OD1-NZ 2.76Å; D815-K818 PolarHBondContact OD1-NZ 3.36Å; K818-L821 PolarHBondContact O-N 2.88Å; K818-V822 WeakPolarHBondContact O-CB 3.35Å; K818-V822 VanDerWaalsContact O-CG2 3.27Å; K818-V822 WeakPolarHBondContact O-CG2 3.33Å; K818-V822 PolarHBondContact O-N 2.63Å |
| 819 | Y | 72.5 | Confident | 64 | Low | 162 Ų | 162 | 75.7 Ų | 75.7 | 64% | 0.635 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64.6 | -46.9 | 179.8 | -173.7 | -93.3 | 0 | 0 | 0 | 111.4 | D815 A816 L817 L821 V822 T823 | D815-Y819 VanDerWaalsContact O-CB 3.28Å; D815-Y819 WeakPolarHBondContact O-CB 3.47Å; D815-Y819 PolarHBondContact O-N 2.99Å; A816-Y819 PolarHBondContact O-N 3Å; L817-Y819 VanDerWaalsContact C-N 3.3Å; L817-Y819 PolarHBondContact O-N 3.27Å; Y819-L821 VanDerWaalsContact C-N 3.34Å; Y819-L821 PolarHBondContact O-N 2.88Å; Y819-V822 CarbonylContact O-C 3.53Å; Y819-V822 WeakPolarHBondContact O-CA 3.33Å; Y819-V822 PolarHBondContact O-N 2.78Å; Y819-T823 HydrophobicContact CD1-CG2 3.99Å; Y819-T823 HydrophobicContact CE1-CG2 3.54Å; Y819-T823 HydrophobicContact CE2-CG2 4.28Å; Y819-T823 PolarHBondContact O-N 3.41Å; Y819-T823 PolarHBondContact O-OG1 3.45Å |
| 820 | A | 68.2 | Low | 65.3 | Low | 2 Ų | 2 | 70 Ų | 70 | 2% | 0.017 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A816 L817 T823 N824 D825 I829 L832 | A816-A820 WeakPolarHBondContact O-CB 3.35Å; A816-A820 PolarHBondContact O-N 3.2Å; L817-A820 PolarHBondContact O-N 2.73Å; A820-T823 WeakPolarHBondContact CA-OG1 3.26Å; A820-T823 PolarHBondContact O-N 2.95Å; A820-T823 PolarHBondContact O-OG1 3.4Å; A820-N824 PolarHBondContact O-N 2.85Å; A820-D825 PolarHBondContact O-N 3.36Å; A820-D825 VanDerWaalsContact O-N 3.12Å; A820-I829 HydrophobicContact CB-CG1 3.75Å; A820-L832 HydrophobicContact CB-CD1 3.89Å |
| 821 | L | 58.9 | Low | 66.3 | Low | 82 Ų | 82 | 70.7 Ų | 70.7 | 43% | 0.429 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 171 | -73.7 | 169 | 0 | 0 | 0 | 112.5 | L817 K818 Y819 N824 I829 F852 | L817-L821 HydrophobicContact CD2-CD1 3.69Å; L817-L821 HydrophobicContact CD2-CG 4.41Å; L817-L821 WeakPolarHBondContact O-CB 3.31Å; L817-L821 VanDerWaalsContact O-CG 3.31Å; L817-L821 WeakPolarHBondContact O-CG 3.35Å; L817-L821 PolarHBondContact O-N 3.27Å; K818-L821 PolarHBondContact O-N 2.88Å; Y819-L821 VanDerWaalsContact C-N 3.34Å; Y819-L821 PolarHBondContact O-N 2.88Å; L821-N824 PolarHBondContact O-N 2.85Å; L821-I829 HydrophobicContact CD2-CD1 4.07Å; L821-I829 HydrophobicContact CD2-CG1 4.36Å; L821-I829 HydrophobicContact CD2-CG2 4.34Å; L821-F852 HydrophobicContact CD2-CE1 4.39Å |
| 822 | V | 70.4 | Confident | 66.9 | Low | 124 Ų | 124 | 68.6 Ų | 68.6 | 75% | 0.752 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -73.5 | -31 | 177.8 | 166.4 | 0 | 0 | 0 | 0 | 112.5 | K818 Y819 | K818-V822 WeakPolarHBondContact O-CB 3.35Å; K818-V822 VanDerWaalsContact O-CG2 3.27Å; K818-V822 WeakPolarHBondContact O-CG2 3.33Å; K818-V822 PolarHBondContact O-N 2.63Å; Y819-V822 CarbonylContact O-C 3.53Å; Y819-V822 WeakPolarHBondContact O-CA 3.33Å; Y819-V822 PolarHBondContact O-N 2.78Å |
| 823 | T | 70.4 | Confident | 66.9 | Low | 66 Ų | 66 | 61 Ų | 61 | 41% | 0.405 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -87 | -3.7 | 174.7 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | Y819 A820 D825 | Y819-T823 HydrophobicContact CD1-CG2 3.99Å; Y819-T823 HydrophobicContact CE1-CG2 3.54Å; Y819-T823 HydrophobicContact CE2-CG2 4.28Å; Y819-T823 PolarHBondContact O-N 3.41Å; Y819-T823 PolarHBondContact O-OG1 3.45Å; A820-T823 WeakPolarHBondContact CA-OG1 3.26Å; A820-T823 PolarHBondContact O-N 2.95Å; A820-T823 PolarHBondContact O-OG1 3.4Å; T823-D825 PolarHBondContact O-N 3.45Å |
| 824 | N | 61.8 | Low | 67 | Low | 120 Ų | 120 | 62.3 Ų | 62.3 | 64% | 0.642 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 34.9 | -174.5 | -162.8 | 56.6 | 0 | 0 | 0 | 113.7 | A820 L821 M826 | A820-N824 PolarHBondContact O-N 2.85Å; L821-N824 PolarHBondContact O-N 2.85Å; N824-M826 PolarHBondContact O-N 3.46Å; N824-M826 VanDerWaalsContact O-N 3.12Å |
| 825 | D | 72.1 | Confident | 66.8 | Low | 64 Ų | 64 | 61.2 Ų | 61.2 | 34% | 0.342 | 31% | 0.314 | S | S | . | . | trans | -86.2 | 83.2 | 178.3 | 177.5 | 6.9 | 0 | 0 | 0 | 109.8 | A820 T823 K827 T828 I829 | A820-D825 PolarHBondContact O-N 3.36Å; A820-D825 VanDerWaalsContact O-N 3.12Å; T823-D825 PolarHBondContact O-N 3.45Å; D825-K827 PolarHBondContact O-N 2.8Å; D825-K827 PolarHBondContact OD1-N 3.2Å; D825-T828 WeakPolarHBondContact CB-OG1 3.4Å; D825-T828 PolarHBondContact O-N 3.17Å; D825-T828 VanDerWaalsContact O-N 3.1Å; D825-T828 PolarHBondContact O-OG1 2.97Å; D825-T828 PolarHBondContact OD1-N 3.45Å; D825-T828 WeakPolarHBondContact OD2-CB 3.44Å; D825-T828 WeakPolarHBondContact OD2-CG2 3.5Å; D825-T828 PolarHBondContact OD2-OG1 2.81Å; D825-I829 VanDerWaalsContact O-CG1 3.27Å; D825-I829 WeakPolarHBondContact O-CG1 3.15Å; D825-I829 PolarHBondContact O-N 3.36Å | ||
| 826 | M | 68.5 | Low | 66.1 | Low | 19 Ų | 19 | 62.7 Ų | 62.7 | 9% | 0.094 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -48.5 | -34.6 | 179.4 | -72.4 | -64.8 | -61.1 | 0 | 0 | 113.6 | N824 I829 I830 L856 H860 | N824-M826 PolarHBondContact O-N 3.46Å; N824-M826 VanDerWaalsContact O-N 3.12Å; M826-I829 HydrophobicContact SD-CD1 4.35Å; M826-I830 HydrophobicContact CE-CD1 4.3Å; M826-I830 WeakPolarHBondContact O-CB 3.5Å; M826-I830 WeakPolarHBondContact O-CG1 3.43Å; M826-I830 PolarHBondContact O-N 2.69Å; M826-L856 HydrophobicContact CE-CB 3.76Å; M826-L856 HydrophobicContact CE-CD1 4.48Å; M826-L856 HydrophobicContact CE-CD2 3.81Å; M826-L856 HydrophobicContact CE-CG 4.21Å; M826-L856 HydrophobicContact SD-CD2 4.17Å; M826-H860 HydrophobicContact CE-CB 4.48Å; M826-H860 WeakPolarHBondContact CE-CD2 3.34Å |
| 827 | K | 69.3 | Low | 65 | Low | 98 Ų | 98 | 67.3 Ų | 67.3 | 43% | 0.426 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.5 | -45.8 | -179 | -175.2 | 163.4 | -176.9 | 158.9 | 0 | 111.4 | D825 Q831 L867 | D825-K827 PolarHBondContact O-N 2.8Å; D825-K827 PolarHBondContact OD1-N 3.2Å; K827-Q831 WeakPolarHBondContact O-CB 3.34Å; K827-Q831 VanDerWaalsContact O-CG 3.26Å; K827-Q831 WeakPolarHBondContact O-CG 3.45Å; K827-Q831 PolarHBondContact O-N 3.13Å; K827-L867 HydrophobicContact CD-CD1 4.28Å; K827-L867 HydrophobicContact CG-CD1 4.26Å; K827-L867 HydrophobicContact CG-CD2 4.31Å |
| 828 | T | 70.1 | Confident | 64.3 | Low | 48 Ų | 48 | 69.4 Ų | 69.4 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -74.4 | -28.7 | 173.9 | 57.9 | 0 | 0 | 0 | 0 | 113 | D825 Q831 L832 | D825-T828 WeakPolarHBondContact CB-OG1 3.4Å; D825-T828 PolarHBondContact O-N 3.17Å; D825-T828 VanDerWaalsContact O-N 3.1Å; D825-T828 PolarHBondContact O-OG1 2.97Å; D825-T828 PolarHBondContact OD1-N 3.45Å; D825-T828 WeakPolarHBondContact OD2-CB 3.44Å; D825-T828 WeakPolarHBondContact OD2-CG2 3.5Å; D825-T828 PolarHBondContact OD2-OG1 2.81Å; T828-Q831 PolarHBondContact O-N 3.4Å; T828-L832 WeakPolarHBondContact O-CB 3.23Å; T828-L832 WeakPolarHBondContact O-CD1 3.23Å; T828-L832 WeakPolarHBondContact O-CG 3.31Å; T828-L832 PolarHBondContact O-N 3.13Å |
| 829 | I | 69.7 | Low | 63.1 | Low | 4 Ų | 4 | 68.3 Ų | 68.3 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.4 | -53.9 | 171.1 | -64.2 | 161.7 | 0 | 0 | 0 | 110.1 | A820 L821 D825 M826 Q831 L832 C833 F852 L856 | A820-I829 HydrophobicContact CB-CG1 3.75Å; L821-I829 HydrophobicContact CD2-CD1 4.07Å; L821-I829 HydrophobicContact CD2-CG1 4.36Å; L821-I829 HydrophobicContact CD2-CG2 4.34Å; D825-I829 VanDerWaalsContact O-CG1 3.27Å; D825-I829 WeakPolarHBondContact O-CG1 3.15Å; D825-I829 PolarHBondContact O-N 3.36Å; M826-I829 HydrophobicContact SD-CD1 4.35Å; I829-Q831 PolarHBondContact O-N 2.7Å; I829-L832 PolarHBondContact O-N 3.1Å; I829-C833 WeakPolarHBondContact O-CB 3.45Å; I829-C833 PolarHBondContact O-N 2.97Å; I829-C833 PolarHBondContact O-SG 3.26Å; I829-C833 VanDerWaalsContact O-SG 3.33Å; I829-F852 HydrophobicContact CG2-CE1 4.49Å; I829-L856 HydrophobicContact CG2-CD1 3.48Å; I829-L856 VanDerWaalsContact CG2-CD1 3.48Å |
| 830 | I | 66.1 | Low | 61.2 | Low | 5 Ų | 5 | 64.7 Ų | 64.7 | 3% | 0.026 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 180 | -67.3 | 167.3 | 0 | 0 | 0 | 110.5 | M826 L832 C833 L834 L856 A857 L867 V871 | M826-I830 HydrophobicContact CE-CD1 4.3Å; M826-I830 WeakPolarHBondContact O-CB 3.5Å; M826-I830 WeakPolarHBondContact O-CG1 3.43Å; M826-I830 PolarHBondContact O-N 2.69Å; I830-L832 PolarHBondContact O-N 2.7Å; I830-C833 PolarHBondContact O-N 3.44Å; I830-L834 HydrophobicContact CG2-CD1 3.75Å; I830-L834 WeakPolarHBondContact O-CB 3.34Å; I830-L834 WeakPolarHBondContact O-CD1 3.06Å; I830-L834 VanDerWaalsContact O-CG 3.24Å; I830-L834 WeakPolarHBondContact O-CG 3.43Å; I830-L834 PolarHBondContact O-N 3.19Å; I830-L856 HydrophobicContact CD1-CB 4.22Å; I830-L856 HydrophobicContact CG1-CB 4.05Å; I830-A857 HydrophobicContact CD1-CB 4.43Å; I830-L867 HydrophobicContact CB-CD2 4.06Å; I830-L867 HydrophobicContact CD1-CD2 4.02Å; I830-L867 HydrophobicContact CG2-CD2 3.97Å; I830-V871 HydrophobicContact CG2-CG2 4.32Å |
| 831 | Q | 67.5 | Low | 59.4 | Low | 98 Ų | 98 | 70.9 Ų | 70.9 | 46% | 0.458 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.6 | -33 | 177.6 | -72.1 | -178.3 | -12.9 | 0 | 0 | 114 | K827 T828 I829 L834 H835 | K827-Q831 WeakPolarHBondContact O-CB 3.34Å; K827-Q831 VanDerWaalsContact O-CG 3.26Å; K827-Q831 WeakPolarHBondContact O-CG 3.45Å; K827-Q831 PolarHBondContact O-N 3.13Å; T828-Q831 PolarHBondContact O-N 3.4Å; I829-Q831 PolarHBondContact O-N 2.7Å; Q831-L834 CarbonylContact O-C 3.59Å; Q831-H835 PolarHBondContact O-N 3.27Å |
| 832 | L | 65.7 | Low | 58 | Low | 27 Ų | 27 | 72.6 Ų | 72.6 | 14% | 0.141 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -74.6 | -40 | 175.6 | -74.7 | 167.5 | 0 | 0 | 0 | 111.7 | L813 A816 L817 A820 T828 I829 I830 L834 H835 F838 | L813-L832 HydrophobicContact CD2-CD2 3.91Å; A816-L832 HydrophobicContact CB-CD1 4.41Å; L817-L832 HydrophobicContact CB-CD1 4.46Å; L817-L832 HydrophobicContact CD1-CB 4.26Å; A820-L832 HydrophobicContact CB-CD1 3.89Å; T828-L832 WeakPolarHBondContact O-CB 3.23Å; T828-L832 WeakPolarHBondContact O-CD1 3.23Å; T828-L832 WeakPolarHBondContact O-CG 3.31Å; T828-L832 PolarHBondContact O-N 3.13Å; I829-L832 PolarHBondContact O-N 3.1Å; I830-L832 PolarHBondContact O-N 2.7Å; L832-L834 PolarHBondContact O-N 3.14Å; L832-H835 WeakPolarHBondContact O-CB 3.26Å; L832-H835 PolarHBondContact O-N 2.98Å; L832-F838 VanDerWaalsContact O-CD2 3.26Å; L832-F838 WeakPolarHBondContact O-CD2 3.43Å; L832-F838 WeakPolarHBondContact O-CE2 3.37Å |
| 833 | C | 62.6 | Low | 55.9 | Low | 6 Ų | 6 | 74.3 Ų | 74.3 | 4% | 0.041 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.1 | -28.4 | 173.1 | -70.8 | 0 | 0 | 0 | 0 | 112.8 | I829 I830 L849 A853 | I829-C833 WeakPolarHBondContact O-CB 3.45Å; I829-C833 PolarHBondContact O-N 2.97Å; I829-C833 PolarHBondContact O-SG 3.26Å; I829-C833 VanDerWaalsContact O-SG 3.33Å; I830-C833 PolarHBondContact O-N 3.44Å; C833-L849 HydrophobicContact CB-CB 4.27Å; C833-L849 WeakPolarHBondContact CB-O 3.42Å; C833-A853 HydrophobicContact CB-CB 3.81Å |
| 834 | L | 60.6 | Low | 54.2 | Low | 62 Ų | 62 | 75.6 Ų | 75.6 | 33% | 0.325 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 3.9 | 172.5 | -64.3 | 168.5 | 0 | 0 | 0 | 113.7 | I830 Q831 L832 A853 V871 | I830-L834 HydrophobicContact CG2-CD1 3.75Å; I830-L834 WeakPolarHBondContact O-CB 3.34Å; I830-L834 WeakPolarHBondContact O-CD1 3.06Å; I830-L834 VanDerWaalsContact O-CG 3.24Å; I830-L834 WeakPolarHBondContact O-CG 3.43Å; I830-L834 PolarHBondContact O-N 3.19Å; Q831-L834 CarbonylContact O-C 3.59Å; L832-L834 PolarHBondContact O-N 3.14Å; L834-A853 HydrophobicContact CD2-CB 4.39Å; L834-A853 HydrophobicContact CG-CB 4.34Å; L834-V871 HydrophobicContact CD1-CG2 3.9Å |
| 835 | H | 58.7 | Low | 53.2 | Low | 64 Ų | 64 | 73.1 Ų | 73.1 | 30% | 0.296 | 41% | 0.405 | S | S | . | . | trans | -76.2 | 128.6 | -172.5 | -171.4 | -68.4 | 0 | 0 | 0 | 111.8 | Q831 L832 K837 F838 | Q831-H835 PolarHBondContact O-N 3.27Å; L832-H835 WeakPolarHBondContact O-CB 3.26Å; L832-H835 PolarHBondContact O-N 2.98Å; H835-K837 PolarHBondContact ND1-N 3.04Å; H835-K837 PolarHBondContact O-N 2.96Å; H835-F838 HydrophobicContact CB-CD2 4.38Å; H835-F838 PolarHBondContact O-N 2.81Å; H835-F838 VanDerWaalsContact O-N 3.13Å | ||
| 836 | P | 53.2 | Low | 51.8 | Low | 101 Ų | 101 | 74.8 Ų | 74.8 | 66% | 0.656 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 30.5 | -172.8 | 32 | -38.7 | 0 | 0 | 0 | 115.4 | S839 | P836-S839 WeakPolarHBondContact CA-OG 3.49Š|
| 837 | K | 45.5 | Very low | 51 | Low | 137 Ų | 137 | 76 Ų | 76 | 60% | 0.596 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | -18.8 | 169.5 | -74.9 | -179.8 | 179 | 174.8 | 0 | 112.5 | L813 H835 S840 | L813-K837 HydrophobicContact CD1-CB 3.61Å; L813-K837 HydrophobicContact CD1-CD 3.73Å; L813-K837 HydrophobicContact CD1-CG 4.31Å; H835-K837 PolarHBondContact ND1-N 3.04Å; H835-K837 PolarHBondContact O-N 2.96Å; K837-S840 PolarHBondContact O-OG 2.8Å |
| 838 | F | 49.7 | Very low | 50 | Low | 63 Ų | 63 | 76.8 Ų | 76.8 | 28% | 0.276 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -78 | -6.2 | 165.1 | -70.7 | -73.6 | 0 | 0 | 0 | 112.2 | L813 L817 L832 H835 L849 | L813-F838 HydrophobicContact CB-CE2 4.33Å; L813-F838 HydrophobicContact CB-CZ 4Å; L813-F838 HydrophobicContact CD2-CE2 4.45Å; L817-F838 HydrophobicContact CB-CZ 4.39Å; L817-F838 HydrophobicContact CD1-CE2 4.05Å; L817-F838 HydrophobicContact CD1-CZ 3.95Å; L832-F838 VanDerWaalsContact O-CD2 3.26Å; L832-F838 WeakPolarHBondContact O-CD2 3.43Å; L832-F838 WeakPolarHBondContact O-CE2 3.37Å; H835-F838 HydrophobicContact CB-CD2 4.38Å; H835-F838 PolarHBondContact O-N 2.81Å; H835-F838 VanDerWaalsContact O-N 3.13Å; F838-L849 HydrophobicContact CD1-CD2 4.05Å; F838-L849 HydrophobicContact CD2-CD2 4.33Å; F838-L849 HydrophobicContact CE1-CD2 4.25Å; F838-L849 HydrophobicContact CG-CD2 4.09Å; F838-L849 HydrophobicContact CZ-CD2 4.47Å |
| 839 | S | 43.9 | Very low | 49.1 | Very low | 83 Ų | 83 | 76.8 Ų | 76.8 | 58% | 0.58 | 44% | 0.435 | S | S | * | . | trans | -109.5 | 41.9 | -177.4 | 65.5 | 0 | 0 | 0 | 0 | 112.6 | P836 | P836-S839 WeakPolarHBondContact CA-OG 3.49Š| ||
| 840 | S | 32.6 | Very low | 48.2 | Very low | 86 Ų | 86 | 77.8 Ų | 77.8 | 60% | 0.601 | 44% | 0.442 | S | S | * | . | trans | -104.9 | 16.6 | -173 | 62.2 | 0 | 0 | 0 | 0 | 115 | K837 | K837-S840 PolarHBondContact O-OG 2.8Š| ||
| 841 | L | 30.1 | Very low | 47.6 | Very low | 132 Ų | 132 | 80.9 Ų | 80.9 | 69% | 0.691 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -104.5 | 151 | 169.4 | -81.2 | 159.5 | 0 | 0 | 0 | 110.7 | F805 L843 | F805-L841 HydrophobicContact CE2-CD1 4.02Å; L841-L843 PolarHBondContact O-N 2.84Å; L841-L843 VanDerWaalsContact O-N 3.08Å |
| 842 | S | 30.3 | Very low | 46.8 | Very low | 118 Ų | 118 | 80.2 Ų | 80.2 | 83% | 0.825 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -91.9 | 66.4 | -149.5 | 58.7 | 0 | 0 | 0 | 0 | 115.9 | ||
| 843 | L | 26 | Very low | 46.3 | Very low | 159 Ų | 159 | 78.9 Ų | 78.9 | 83% | 0.832 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -175.9 | 137.7 | 145.4 | -97.6 | 152.9 | 0 | 0 | 0 | 107.7 | L841 | L841-L843 PolarHBondContact O-N 2.84Å; L841-L843 VanDerWaalsContact O-N 3.08Å |
| 844 | P | 34.8 | Very low | 46 | Very low | 94 Ų | 94 | 81.4 Ų | 81.4 | 61% | 0.61 | 47% | 0.465 | S | S | * | . | trans | -96.3 | 157.9 | -156.8 | 37.6 | -37.2 | 0 | 0 | 0 | 115.8 | ||||
| 845 | N | 40.6 | Very low | 45.7 | Very low | 68 Ų | 68 | 83.7 Ų | 83.7 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | S | Bend | trans | 94.3 | 28 | 153.7 | -53.3 | -27.9 | 0 | 0 | 0 | 121.8 | T878 | N845-T878 HydrophobicContact CB-CG2 4.08Å; N845-T878 VanDerWaalsContact CG-CG2 3.48Å; N845-T878 WeakPolarHBondContact ND2-CG2 3.48Å |
| 846 | L | 43.2 | Very low | 45.7 | Very low | 98 Ų | 98 | 81.8 Ų | 81.8 | 51% | 0.513 | 47% | 0.467 | S | S | . | . | trans | -163.4 | 105.2 | 145.1 | -108.6 | 149.8 | 0 | 0 | 0 | 112.2 | L795 V851 | L795-L846 HydrophobicContact CD2-CD1 4.44Å; L846-V851 HydrophobicContact CD2-CG2 3.46Å; L846-V851 VanDerWaalsContact CD2-CG2 3.46Å | ||
| 847 | S | 50.2 | Low | 45.9 | Very low | 46 Ų | 46 | 77.3 Ų | 77.3 | 32% | 0.322 | 44% | 0.439 | S | S | . | . | trans | -95.1 | 159.2 | 168.7 | 73.1 | 0 | 0 | 0 | 0 | 111.1 | L849 S850 V851 | S847-L849 PolarHBondContact O-N 2.83Å; S847-L849 PolarHBondContact OG-N 2.84Å; S847-S850 PolarHBondContact N-OG 3.09Å; S847-S850 WeakPolarHBondContact O-CA 3.3Å; S847-S850 PolarHBondContact O-N 3Å; S847-S850 PolarHBondContact O-OG 2.93Å; S847-S850 PolarHBondContact OG-N 2.97Å; S847-S850 VanDerWaalsContact OG-N 3.1Å; S847-V851 PolarHBondContact O-N 3.32Å; S847-V851 VanDerWaalsContact O-N 3.1Å | ||
| 848 | T | 48.4 | Very low | 46.6 | Very low | 114 Ų | 114 | 75 Ų | 75 | 70% | 0.699 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -57.9 | -31.5 | 172.1 | 48.5 | 0 | 0 | 0 | 0 | 112.6 | V851 F852 | T848-V851 PolarHBondContact O-N 2.84Å; T848-F852 WeakPolarHBondContact O-CB 3.46Å; T848-F852 PolarHBondContact O-N 3Å |
| 849 | L | 50.9 | Low | 46.9 | Very low | 48 Ų | 48 | 78.1 Ų | 78.1 | 25% | 0.251 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.2 | -34 | 171.5 | -89.4 | 70.6 | 0 | 0 | 0 | 112.6 | L817 C833 F838 S847 F852 A853 | L817-L849 HydrophobicContact CD1-CD2 3.7Å; C833-L849 HydrophobicContact CB-CB 4.27Å; C833-L849 WeakPolarHBondContact CB-O 3.42Å; F838-L849 HydrophobicContact CD1-CD2 4.05Å; F838-L849 HydrophobicContact CD2-CD2 4.33Å; F838-L849 HydrophobicContact CE1-CD2 4.25Å; F838-L849 HydrophobicContact CG-CD2 4.09Å; F838-L849 HydrophobicContact CZ-CD2 4.47Å; S847-L849 PolarHBondContact O-N 2.83Å; S847-L849 PolarHBondContact OG-N 2.84Å; L849-F852 WeakPolarHBondContact O-CB 3.42Å; L849-F852 PolarHBondContact O-N 3.28Å; L849-A853 WeakPolarHBondContact O-CB 3.4Å; L849-A853 PolarHBondContact O-N 3.2Å |
| 850 | S | 52.5 | Low | 47.4 | Very low | 25 Ų | 25 | 77.1 Ų | 77.1 | 18% | 0.175 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -72.5 | -35.7 | 175.4 | 63.8 | 0 | 0 | 0 | 0 | 112.7 | S847 F852 A853 V854 | S847-S850 PolarHBondContact N-OG 3.09Å; S847-S850 WeakPolarHBondContact O-CA 3.3Å; S847-S850 PolarHBondContact O-N 3Å; S847-S850 PolarHBondContact O-OG 2.93Å; S847-S850 PolarHBondContact OG-N 2.97Å; S847-S850 VanDerWaalsContact OG-N 3.1Å; S850-F852 VanDerWaalsContact C-N 3.32Å; S850-F852 PolarHBondContact O-N 2.99Å; S850-A853 WeakPolarHBondContact O-CB 3.25Å; S850-A853 PolarHBondContact O-N 2.7Å; S850-V854 WeakPolarHBondContact O-CG2 3.5Å; S850-V854 PolarHBondContact O-N 3.08Å |
| 851 | V | 51.6 | Low | 48.5 | Very low | 70 Ų | 70 | 79.3 Ų | 79.3 | 42% | 0.424 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 168.7 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | L846 S847 T848 A853 V854 M855 | L846-V851 HydrophobicContact CD2-CG2 3.46Å; L846-V851 VanDerWaalsContact CD2-CG2 3.46Å; S847-V851 PolarHBondContact O-N 3.32Å; S847-V851 VanDerWaalsContact O-N 3.1Å; T848-V851 PolarHBondContact O-N 2.84Å; V851-A853 VanDerWaalsContact C-N 3.35Å; V851-A853 PolarHBondContact O-N 3.29Å; V851-V854 PolarHBondContact O-N 2.86Å; V851-M855 PolarHBondContact O-N 3.49Å |
| 852 | F | 52.5 | Low | 49.5 | Very low | 83 Ų | 83 | 78.3 Ų | 78.3 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 175 | -170.5 | -115.9 | 0 | 0 | 0 | 112.2 | L821 I829 T848 L849 S850 M855 L856 | L821-F852 HydrophobicContact CD2-CE1 4.39Å; I829-F852 HydrophobicContact CG2-CE1 4.49Å; T848-F852 WeakPolarHBondContact O-CB 3.46Å; T848-F852 PolarHBondContact O-N 3Å; L849-F852 WeakPolarHBondContact O-CB 3.42Å; L849-F852 PolarHBondContact O-N 3.28Å; S850-F852 VanDerWaalsContact C-N 3.32Å; S850-F852 PolarHBondContact O-N 2.99Å; F852-M855 HydrophobicContact CD2-CE 4.45Å; F852-M855 PolarHBondContact O-N 3.42Å; F852-L856 HydrophobicContact CD1-CD1 3.8Å; F852-L856 HydrophobicContact CD1-CG 4.46Å; F852-L856 HydrophobicContact CE1-CD1 3.53Å; F852-L856 HydrophobicContact CE1-CG 4.29Å; F852-L856 HydrophobicContact CG-CD1 4.45Å; F852-L856 HydrophobicContact CZ-CD1 3.96Å; F852-L856 HydrophobicContact CZ-CD2 4.37Å; F852-L856 HydrophobicContact CZ-CG 4.32Å; F852-L856 WeakPolarHBondContact O-CB 3.42Å; F852-L856 VanDerWaalsContact O-CG 3.27Å; F852-L856 WeakPolarHBondContact O-CG 3.36Å; F852-L856 PolarHBondContact O-N 3.27Å |
| 853 | A | 54.3 | Low | 50.8 | Low | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C833 L834 L849 S850 V851 L856 A857 | C833-A853 HydrophobicContact CB-CB 3.81Å; L834-A853 HydrophobicContact CD2-CB 4.39Å; L834-A853 HydrophobicContact CG-CB 4.34Å; L849-A853 WeakPolarHBondContact O-CB 3.4Å; L849-A853 PolarHBondContact O-N 3.2Å; S850-A853 WeakPolarHBondContact O-CB 3.25Å; S850-A853 PolarHBondContact O-N 2.7Å; V851-A853 VanDerWaalsContact C-N 3.35Å; V851-A853 PolarHBondContact O-N 3.29Å; A853-L856 PolarHBondContact O-N 3.03Å; A853-A857 WeakPolarHBondContact O-CB 3.45Å; A853-A857 PolarHBondContact O-N 3.02Å |
| 854 | V | 57 | Low | 52.3 | Low | 59 Ų | 59 | 74.6 Ų | 74.6 | 36% | 0.358 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65 | -45 | 175.5 | 172.5 | 0 | 0 | 0 | 0 | 111 | S850 V851 L856 A857 D858 V871 L875 | S850-V854 WeakPolarHBondContact O-CG2 3.5Å; S850-V854 PolarHBondContact O-N 3.08Å; V851-V854 PolarHBondContact O-N 2.86Å; V854-L856 PolarHBondContact O-N 2.9Å; V854-A857 PolarHBondContact O-N 3.41Å; V854-D858 PolarHBondContact O-N 3.03Å; V854-D858 VanDerWaalsContact O-N 3.08Å; V854-V871 HydrophobicContact CG2-CG1 4.12Å; V854-L875 HydrophobicContact CG2-CD1 4.04Å |
| 855 | M | 54.4 | Low | 53.6 | Low | 110 Ų | 110 | 75.7 Ų | 75.7 | 54% | 0.542 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 175.4 | -70.6 | -160.3 | -61.6 | 0 | 0 | 112.6 | V851 F852 A857 L859 | V851-M855 PolarHBondContact O-N 3.49Å; F852-M855 HydrophobicContact CD2-CE 4.45Å; F852-M855 PolarHBondContact O-N 3.42Å; M855-A857 VanDerWaalsContact C-N 3.34Å; M855-L859 WeakPolarHBondContact O-CB 3.46Å; M855-L859 PolarHBondContact O-N 3.04Å |
| 856 | L | 57.3 | Low | 54.6 | Low | 23 Ų | 23 | 79 Ų | 79 | 12% | 0.12 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.6 | -31.5 | 176.2 | -72.8 | 177.4 | 0 | 0 | 0 | 113.1 | M826 I829 I830 F852 A853 V854 H860 | M826-L856 HydrophobicContact CE-CB 3.76Å; M826-L856 HydrophobicContact CE-CD1 4.48Å; M826-L856 HydrophobicContact CE-CD2 3.81Å; M826-L856 HydrophobicContact CE-CG 4.21Å; M826-L856 HydrophobicContact SD-CD2 4.17Å; I829-L856 HydrophobicContact CG2-CD1 3.48Å; I829-L856 VanDerWaalsContact CG2-CD1 3.48Å; I830-L856 HydrophobicContact CD1-CB 4.22Å; I830-L856 HydrophobicContact CG1-CB 4.05Å; F852-L856 HydrophobicContact CD1-CD1 3.8Å; F852-L856 HydrophobicContact CD1-CG 4.46Å; F852-L856 HydrophobicContact CE1-CD1 3.53Å; F852-L856 HydrophobicContact CE1-CG 4.29Å; F852-L856 HydrophobicContact CG-CD1 4.45Å; F852-L856 HydrophobicContact CZ-CD1 3.96Å; F852-L856 HydrophobicContact CZ-CD2 4.37Å; F852-L856 HydrophobicContact CZ-CG 4.32Å; F852-L856 WeakPolarHBondContact O-CB 3.42Å; F852-L856 VanDerWaalsContact O-CG 3.27Å; F852-L856 WeakPolarHBondContact O-CG 3.36Å; F852-L856 PolarHBondContact O-N 3.27Å; A853-L856 PolarHBondContact O-N 3.03Å; V854-L856 PolarHBondContact O-N 2.9Å; L856-H860 PolarHBondContact O-N 2.91Å |
| 857 | A | 59.1 | Low | 55.4 | Low | 8 Ų | 8 | 75 Ų | 75 | 7% | 0.066 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -72 | -40 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I830 A853 V854 M855 R861 | I830-A857 HydrophobicContact CD1-CB 4.43Å; A853-A857 WeakPolarHBondContact O-CB 3.45Å; A853-A857 PolarHBondContact O-N 3.02Å; V854-A857 PolarHBondContact O-N 3.41Å; M855-A857 VanDerWaalsContact C-N 3.34Å; A857-R861 PolarHBondContact O-N 3.34Å |
| 858 | D | 58.8 | Low | 56.1 | Low | 87 Ų | 87 | 75.7 Ų | 75.7 | 47% | 0.465 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -73.6 | -34.7 | 176.8 | -158.3 | 42 | 0 | 0 | 0 | 111.6 | V854 H860 R861 | V854-D858 PolarHBondContact O-N 3.03Å; V854-D858 VanDerWaalsContact O-N 3.08Å; D858-H860 VanDerWaalsContact C-N 3.27Å; D858-H860 PolarHBondContact O-N 3.38Å; D858-R861 VanDerWaalsContact O-CB 3.25Å; D858-R861 WeakPolarHBondContact O-CB 3.42Å; D858-R861 PolarHBondContact O-N 3.22Å; D858-R861 WeakPolarHBondContact OD1-CD 3.42Å; D858-R861 IonicContact OD1-CZ 2.75Å; D858-R861 IonicContact OD1-NE 2.65Å; D858-R861 IonicContact OD1-NH1 3.56Å; D858-R861 PolarHBondContact OD1-NH1 3.28Å |
| 859 | L | 55.6 | Low | 56.9 | Low | 130 Ų | 130 | 73.5 Ų | 73.5 | 68% | 0.681 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.4 | -28.6 | 173 | -93.9 | 159.4 | 0 | 0 | 0 | 114.5 | M855 | M855-L859 WeakPolarHBondContact O-CB 3.46Å; M855-L859 PolarHBondContact O-N 3.04Å |
| 860 | H | 55.5 | Low | 57.5 | Low | 61 Ų | 61 | 76 Ų | 76 | 28% | 0.282 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 24.1 | 179.5 | -77.8 | -99.3 | 0 | 0 | 0 | 113.5 | M826 L856 D858 S862 E863 Q864 | M826-H860 HydrophobicContact CE-CB 4.48Å; M826-H860 WeakPolarHBondContact CE-CD2 3.34Å; L856-H860 PolarHBondContact O-N 2.91Å; D858-H860 VanDerWaalsContact C-N 3.27Å; D858-H860 PolarHBondContact O-N 3.38Å; H860-S862 PolarHBondContact O-N 3.44Å; H860-E863 IonicContact CE1-OE2 2.66Å; H860-E863 IonicContact CG-OE2 3.22Å; H860-E863 IonicContact ND1-OE2 3.12Å; H860-E863 PolarHBondContact ND1-OE2 2.96Å; H860-E863 PolarHBondContact O-N 3.11Å; H860-Q864 PolarHBondContact O-N 2.96Å |
| 861 | R | 55.2 | Low | 58 | Low | 132 Ų | 132 | 75.4 Ų | 75.4 | 50% | 0.498 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -18.8 | -178.8 | -174.6 | 166.7 | 175 | 177 | -1.7 | 115 | A857 D858 Y868 | A857-R861 PolarHBondContact O-N 3.34Å; D858-R861 VanDerWaalsContact O-CB 3.25Å; D858-R861 WeakPolarHBondContact O-CB 3.42Å; D858-R861 PolarHBondContact O-N 3.22Å; D858-R861 WeakPolarHBondContact OD1-CD 3.42Å; D858-R861 IonicContact OD1-CZ 2.75Å; D858-R861 IonicContact OD1-NE 2.65Å; D858-R861 IonicContact OD1-NH1 3.56Å; D858-R861 PolarHBondContact OD1-NH1 3.28Å; R861-Y868 HydrophobicContact CG-CD2 4.24Å; R861-Y868 HydrophobicContact CG-CE2 4.38Å |
| 862 | S | 51.1 | Low | 58.5 | Low | 112 Ų | 112 | 74.7 Ų | 74.7 | 78% | 0.783 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -17.9 | 173.5 | 50.5 | 0 | 0 | 0 | 0 | 114.8 | H860 | H860-S862 PolarHBondContact O-N 3.44Š|
| 863 | E | 57.7 | Low | 59.1 | Low | 136 Ų | 136 | 74.6 Ų | 74.6 | 64% | 0.636 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | -27.2 | -170.4 | -65.2 | -174.1 | 137.3 | 0 | 0 | 114.1 | H860 | H860-E863 IonicContact CE1-OE2 2.66Å; H860-E863 IonicContact CG-OE2 3.22Å; H860-E863 IonicContact ND1-OE2 3.12Å; H860-E863 PolarHBondContact ND1-OE2 2.96Å; H860-E863 PolarHBondContact O-N 3.11Å |
| 864 | Q | 58.7 | Low | 59.4 | Low | 63 Ų | 63 | 80.6 Ų | 80.6 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | trans | -139 | 67.6 | -173.9 | -57.9 | -169.1 | 24.6 | 0 | 0 | 113.3 | H860 D866 L867 Y868 | H860-Q864 PolarHBondContact O-N 2.96Å; Q864-D866 VanDerWaalsContact C-N 3.29Å; Q864-D866 PolarHBondContact O-N 2.71Å; Q864-L867 HydrophobicContact CB-CB 4.11Å; Q864-L867 PolarHBondContact O-N 2.68Å; Q864-L867 VanDerWaalsContact O-N 3.13Å; Q864-Y868 PolarHBondContact O-N 2.94Å | ||
| 865 | I | 61.1 | Low | 59.5 | Low | 117 Ų | 117 | 80.1 Ų | 80.1 | 60% | 0.6 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -51.6 | -46.3 | 177.5 | -62 | 171.5 | 0 | 0 | 0 | 111.6 | L867 Y868 E869 | I865-L867 VanDerWaalsContact C-N 3.3Å; I865-L867 PolarHBondContact O-N 2.97Å; I865-Y868 WeakPolarHBondContact O-CB 3.12Å; I865-Y868 PolarHBondContact O-N 3.35Å; I865-Y868 VanDerWaalsContact O-N 3.12Å; I865-E869 PolarHBondContact O-N 3.27Å |
| 866 | D | 61.8 | Low | 59.9 | Low | 136 Ų | 136 | 77 Ų | 77 | 73% | 0.727 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -56.5 | -40.9 | -179.9 | -53.2 | -16.4 | 0 | 0 | 0 | 112.6 | Q864 D870 | Q864-D866 VanDerWaalsContact C-N 3.29Å; Q864-D866 PolarHBondContact O-N 2.71Å; D866-D870 WeakPolarHBondContact O-CB 3.35Å; D866-D870 PolarHBondContact O-N 2.97Å |
| 867 | L | 60 | Low | 60 | Low | 15 Ų | 15 | 81.5 Ų | 81.5 | 8% | 0.079 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -72.3 | -33.2 | -179.9 | -117 | 81.8 | 0 | 0 | 0 | 112 | K827 I830 Q864 I865 V871 | K827-L867 HydrophobicContact CD-CD1 4.28Å; K827-L867 HydrophobicContact CG-CD1 4.26Å; K827-L867 HydrophobicContact CG-CD2 4.31Å; I830-L867 HydrophobicContact CB-CD2 4.06Å; I830-L867 HydrophobicContact CD1-CD2 4.02Å; I830-L867 HydrophobicContact CG2-CD2 3.97Å; Q864-L867 HydrophobicContact CB-CB 4.11Å; Q864-L867 PolarHBondContact O-N 2.68Å; Q864-L867 VanDerWaalsContact O-N 3.13Å; I865-L867 VanDerWaalsContact C-N 3.3Å; I865-L867 PolarHBondContact O-N 2.97Å; L867-V871 WeakPolarHBondContact O-CG2 3.14Å; L867-V871 PolarHBondContact O-N 3.09Å |
| 868 | Y | 64.8 | Low | 59.9 | Low | 60 Ų | 60 | 82.6 Ų | 82.6 | 24% | 0.235 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 175.5 | -179.7 | -84.5 | 0 | 0 | 0 | 110.9 | R861 Q864 I865 V871 K872 | R861-Y868 HydrophobicContact CG-CD2 4.24Å; R861-Y868 HydrophobicContact CG-CE2 4.38Å; Q864-Y868 PolarHBondContact O-N 2.94Å; I865-Y868 WeakPolarHBondContact O-CB 3.12Å; I865-Y868 PolarHBondContact O-N 3.35Å; I865-Y868 VanDerWaalsContact O-N 3.12Å; Y868-V871 PolarHBondContact O-N 2.57Å; Y868-K872 HydrophobicContact CE1-CD 4.07Å; Y868-K872 VanDerWaalsContact O-CB 3.29Å; Y868-K872 WeakPolarHBondContact O-CB 3.45Å; Y868-K872 PolarHBondContact O-N 2.82Å |
| 869 | E | 64.6 | Low | 59.8 | Low | 68 Ų | 68 | 80 Ų | 80 | 32% | 0.318 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.9 | -38.5 | 175.3 | -73.3 | -61 | 147.9 | 0 | 0 | 112.6 | I865 V871 K872 L873 | I865-E869 PolarHBondContact O-N 3.27Å; E869-V871 VanDerWaalsContact C-N 3.33Å; E869-V871 PolarHBondContact O-N 2.83Å; E869-K872 PolarHBondContact O-N 3.01Å; E869-K872 IonicContact OE1-NZ 3.9Å; E869-K872 PolarHBondContact OE1-NZ 3.37Å; E869-K872 IonicContact OE2-NZ 2.78Å; E869-K872 PolarHBondContact OE2-NZ 3.19Å; E869-L873 WeakPolarHBondContact O-CB 3.45Å; E869-L873 WeakPolarHBondContact O-CG 3.46Å; E869-L873 PolarHBondContact O-N 2.73Å |
| 870 | D | 65.1 | Low | 59.9 | Low | 102 Ų | 102 | 75.6 Ų | 75.6 | 55% | 0.545 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -55.9 | -45.2 | 169.8 | -106 | -7.9 | 0 | 0 | 0 | 111.7 | D866 K874 | D866-D870 WeakPolarHBondContact O-CB 3.35Å; D866-D870 PolarHBondContact O-N 2.97Å; D870-K874 VanDerWaalsContact O-CB 3.3Å; D870-K874 WeakPolarHBondContact O-CB 3.49Å; D870-K874 PolarHBondContact O-N 2.59Å; D870-K874 VanDerWaalsContact O-N 3.13Å |
| 871 | V | 63.2 | Low | 60 | Low | 11 Ų | 11 | 77.1 Ų | 77.1 | 7% | 0.067 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.4 | -44.8 | 177.5 | 166.9 | 0 | 0 | 0 | 0 | 111.4 | I830 L834 V854 L867 Y868 E869 K874 L875 | I830-V871 HydrophobicContact CG2-CG2 4.32Å; L834-V871 HydrophobicContact CD1-CG2 3.9Å; V854-V871 HydrophobicContact CG2-CG1 4.12Å; L867-V871 WeakPolarHBondContact O-CG2 3.14Å; L867-V871 PolarHBondContact O-N 3.09Å; Y868-V871 PolarHBondContact O-N 2.57Å; E869-V871 VanDerWaalsContact C-N 3.33Å; E869-V871 PolarHBondContact O-N 2.83Å; V871-K874 PolarHBondContact O-N 3.48Å; V871-L875 HydrophobicContact CG1-CD1 4.01Å; V871-L875 WeakPolarHBondContact O-CG 3.47Å; V871-L875 PolarHBondContact O-N 3.26Å |
| 872 | K | 61.6 | Low | 59.9 | Low | 55 Ų | 55 | 72.6 Ų | 72.6 | 24% | 0.239 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 179.8 | 169.5 | 168.7 | 156.7 | -107.3 | 0 | 112.4 | Y868 E869 K874 L875 Y876 L906 | Y868-K872 HydrophobicContact CE1-CD 4.07Å; Y868-K872 VanDerWaalsContact O-CB 3.29Å; Y868-K872 WeakPolarHBondContact O-CB 3.45Å; Y868-K872 PolarHBondContact O-N 2.82Å; E869-K872 PolarHBondContact O-N 3.01Å; E869-K872 IonicContact OE1-NZ 3.9Å; E869-K872 PolarHBondContact OE1-NZ 3.37Å; E869-K872 IonicContact OE2-NZ 2.78Å; E869-K872 PolarHBondContact OE2-NZ 3.19Å; K872-K874 VanDerWaalsContact C-N 3.31Å; K872-K874 PolarHBondContact O-N 3.01Å; K872-L875 PolarHBondContact O-N 2.86Å; K872-Y876 PolarHBondContact O-N 3.36Å; K872-L906 WeakPolarHBondContact CE-O 3.42Å |
| 873 | L | 64.3 | Low | 60 | Low | 82 Ų | 82 | 69.4 Ų | 69.4 | 43% | 0.429 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 173.3 | -75.6 | 168 | 0 | 0 | 0 | 111.7 | E869 Y876 H877 | E869-L873 WeakPolarHBondContact O-CB 3.45Å; E869-L873 WeakPolarHBondContact O-CG 3.46Å; E869-L873 PolarHBondContact O-N 2.73Å; L873-Y876 PolarHBondContact O-N 2.67Å; L873-H877 PolarHBondContact O-CD2 2.97Å; L873-H877 PolarHBondContact O-N 3.12Å |
| 874 | K | 60.8 | Low | 59.9 | Low | 125 Ų | 125 | 69.9 Ų | 69.9 | 54% | 0.543 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.4 | -39.3 | -179.2 | -148.9 | 159.6 | -165.2 | 164.5 | 0 | 112.5 | D870 V871 K872 H877 T878 | D870-K874 VanDerWaalsContact O-CB 3.3Å; D870-K874 WeakPolarHBondContact O-CB 3.49Å; D870-K874 PolarHBondContact O-N 2.59Å; D870-K874 VanDerWaalsContact O-N 3.13Å; V871-K874 PolarHBondContact O-N 3.48Å; K872-K874 VanDerWaalsContact C-N 3.31Å; K872-K874 PolarHBondContact O-N 3.01Å; K874-H877 PolarHBondContact O-N 2.92Å; K874-T878 PolarHBondContact O-N 3.44Å; K874-T878 PolarHBondContact O-OG1 2.88Å |
| 875 | L | 59.1 | Low | 59.4 | Low | 50 Ų | 50 | 72.8 Ų | 72.8 | 26% | 0.262 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.5 | -49.7 | 170.6 | -77.1 | 168.2 | 0 | 0 | 0 | 111.2 | V854 V871 K872 H877 T878 L879 L906 | V854-L875 HydrophobicContact CG2-CD1 4.04Å; V871-L875 HydrophobicContact CG1-CD1 4.01Å; V871-L875 WeakPolarHBondContact O-CG 3.47Å; V871-L875 PolarHBondContact O-N 3.26Å; K872-L875 PolarHBondContact O-N 2.86Å; L875-H877 PolarHBondContact O-N 2.91Å; L875-T878 WeakPolarHBondContact CA-OG1 3.18Å; L875-T878 PolarHBondContact O-N 2.83Å; L875-T878 VanDerWaalsContact O-N 3.14Å; L875-T878 PolarHBondContact O-OG1 3.02Å; L875-L879 WeakPolarHBondContact O-CG 3.49Å; L875-L879 PolarHBondContact O-N 3.18Å; L875-L906 HydrophobicContact CB-CD1 4.41Å |
| 876 | Y | 61.9 | Low | 58.5 | Low | 44 Ų | 44 | 71.2 Ų | 71.2 | 17% | 0.173 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57 | -46.6 | 175.8 | 172.4 | -114.1 | 0 | 0 | 0 | 112.3 | K872 L873 T878 L879 N880 I907 | K872-Y876 PolarHBondContact O-N 3.36Å; L873-Y876 PolarHBondContact O-N 2.67Å; Y876-T878 VanDerWaalsContact C-N 3.34Å; Y876-T878 PolarHBondContact O-N 2.84Å; Y876-L879 PolarHBondContact O-N 2.85Å; Y876-N880 WeakPolarHBondContact CE2-ND2 3.4Å; Y876-N880 WeakPolarHBondContact O-CB 3.15Å; Y876-N880 PolarHBondContact O-N 3.41Å; Y876-N880 PolarHBondContact OH-ND2 3.06Å; Y876-I907 HydrophobicContact CD1-CD1 3.44Å; Y876-I907 VanDerWaalsContact CD1-CD1 3.44Å; Y876-I907 HydrophobicContact CD2-CD1 3.55Å; Y876-I907 HydrophobicContact CD2-CG1 4.09Å; Y876-I907 HydrophobicContact CE1-CD1 3.6Å; Y876-I907 HydrophobicContact CE2-CD1 3.71Å; Y876-I907 HydrophobicContact CE2-CG1 4.43Å; Y876-I907 HydrophobicContact CG-CD1 3.38Å; Y876-I907 HydrophobicContact CG-CG1 4.18Å |
| 877 | H | 61.3 | Low | 57.7 | Low | 118 Ų | 118 | 73 Ų | 73 | 55% | 0.546 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 175.3 | -79.3 | -58.8 | 0 | 0 | 0 | 112.1 | L873 K874 L875 E881 | L873-H877 PolarHBondContact O-CD2 2.97Å; L873-H877 PolarHBondContact O-N 3.12Å; K874-H877 PolarHBondContact O-N 2.92Å; L875-H877 PolarHBondContact O-N 2.91Å; H877-E881 WeakPolarHBondContact O-CB 3.17Å; H877-E881 WeakPolarHBondContact O-CG 3.35Å; H877-E881 PolarHBondContact O-N 3.2Å |
| 878 | T | 56 | Low | 56.8 | Low | 30 Ų | 30 | 78.7 Ų | 78.7 | 18% | 0.184 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66 | -37.2 | 176.4 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | N845 K874 L875 Y876 E881 I882 | N845-T878 HydrophobicContact CB-CG2 4.08Å; N845-T878 VanDerWaalsContact CG-CG2 3.48Å; N845-T878 WeakPolarHBondContact ND2-CG2 3.48Å; K874-T878 PolarHBondContact O-N 3.44Å; K874-T878 PolarHBondContact O-OG1 2.88Å; L875-T878 WeakPolarHBondContact CA-OG1 3.18Å; L875-T878 PolarHBondContact O-N 2.83Å; L875-T878 VanDerWaalsContact O-N 3.14Å; L875-T878 PolarHBondContact O-OG1 3.02Å; Y876-T878 VanDerWaalsContact C-N 3.34Å; Y876-T878 PolarHBondContact O-N 2.84Å; T878-E881 PolarHBondContact O-N 3.08Å; T878-I882 WeakPolarHBondContact O-CD1 3.15Å; T878-I882 VanDerWaalsContact O-CG1 3.3Å; T878-I882 WeakPolarHBondContact O-CG1 3.36Å; T878-I882 PolarHBondContact O-N 2.96Å; T878-I882 VanDerWaalsContact O-N 3.1Å |
| 879 | L | 55.7 | Low | 55.9 | Low | 34 Ų | 34 | 76.8 Ų | 76.8 | 18% | 0.178 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -71.4 | -40.8 | 177.7 | -72.6 | 170.9 | 0 | 0 | 0 | 112.4 | L875 Y876 I882 S883 F902 L906 | L875-L879 WeakPolarHBondContact O-CG 3.49Å; L875-L879 PolarHBondContact O-N 3.18Å; Y876-L879 PolarHBondContact O-N 2.85Å; L879-I882 PolarHBondContact O-N 2.8Å; L879-S883 WeakPolarHBondContact O-CB 3.32Å; L879-S883 PolarHBondContact O-N 2.75Å; L879-F902 HydrophobicContact CD1-CB 4.25Å; L879-L906 HydrophobicContact CD1-CD1 3.43Å; L879-L906 VanDerWaalsContact CD1-CD1 3.43Å |
| 880 | N | 58.2 | Low | 55.1 | Low | 36 Ų | 36 | 81.7 Ų | 81.7 | 19% | 0.193 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.8 | -37.4 | 171.9 | -92.7 | 10.4 | 0 | 0 | 0 | 112.4 | Y876 I882 S883 L884 N903 | Y876-N880 WeakPolarHBondContact CE2-ND2 3.4Å; Y876-N880 WeakPolarHBondContact O-CB 3.15Å; Y876-N880 PolarHBondContact O-N 3.41Å; Y876-N880 PolarHBondContact OH-ND2 3.06Å; N880-I882 VanDerWaalsContact C-N 3.33Å; N880-I882 PolarHBondContact O-N 3.22Å; N880-S883 PolarHBondContact O-N 2.95Å; N880-L884 WeakPolarHBondContact O-CB 3.12Å; N880-L884 VanDerWaalsContact O-CG 3.31Å; N880-L884 WeakPolarHBondContact O-CG 3.41Å; N880-L884 PolarHBondContact O-N 3.47Å; N880-N903 PolarHBondContact OD1-ND2 3.13Å; N880-N903 VanDerWaalsContact OD1-ND2 3.12Å |
| 881 | E | 58.2 | Low | 54.2 | Low | 93 Ų | 93 | 85.3 Ų | 85.3 | 44% | 0.435 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 174 | -76.8 | -145.3 | 139.5 | 0 | 0 | 112.1 | H877 T878 L884 K885 | H877-E881 WeakPolarHBondContact O-CB 3.17Å; H877-E881 WeakPolarHBondContact O-CG 3.35Å; H877-E881 PolarHBondContact O-N 3.2Å; T878-E881 PolarHBondContact O-N 3.08Å; E881-L884 PolarHBondContact O-N 3.35Å; E881-K885 HydrophobicContact CB-CD 4.32Å; E881-K885 VanDerWaalsContact O-CB 3.23Å; E881-K885 WeakPolarHBondContact O-CB 3.4Å; E881-K885 VanDerWaalsContact O-CG 3.22Å; E881-K885 WeakPolarHBondContact O-CG 3.47Å; E881-K885 PolarHBondContact O-N 2.9Å; E881-K885 WeakPolarHBondContact OE1-CE 3.46Å; E881-K885 IonicContact OE1-NZ 2.69Å; E881-K885 PolarHBondContact OE1-NZ 2.92Å; E881-K885 IonicContact OE2-NZ 2.68Å; E881-K885 PolarHBondContact OE2-NZ 2.88Å |
| 882 | I | 53.4 | Low | 53.7 | Low | 37 Ų | 37 | 87.4 Ų | 87.4 | 19% | 0.19 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 173.5 | -68.9 | 162.3 | 0 | 0 | 0 | 110.1 | T878 L879 N880 L884 K885 I889 I899 | T878-I882 WeakPolarHBondContact O-CD1 3.15Å; T878-I882 VanDerWaalsContact O-CG1 3.3Å; T878-I882 WeakPolarHBondContact O-CG1 3.36Å; T878-I882 PolarHBondContact O-N 2.96Å; T878-I882 VanDerWaalsContact O-N 3.1Å; L879-I882 PolarHBondContact O-N 2.8Å; N880-I882 VanDerWaalsContact C-N 3.33Å; N880-I882 PolarHBondContact O-N 3.22Å; I882-L884 PolarHBondContact O-N 2.83Å; I882-K885 PolarHBondContact O-N 3.3Å; I882-I889 HydrophobicContact CG2-CD1 3.65Å; I882-I889 WeakPolarHBondContact O-CD1 3.43Å; I882-I899 HydrophobicContact CG2-CD1 4.15Å |
| 883 | S | 53.4 | Low | 53.4 | Low | 46 Ų | 46 | 88.9 Ų | 88.9 | 32% | 0.322 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.9 | -32.1 | 177.9 | -171.8 | 0 | 0 | 0 | 0 | 113.5 | L879 N880 | L879-S883 WeakPolarHBondContact O-CB 3.32Å; L879-S883 PolarHBondContact O-N 2.75Å; N880-S883 PolarHBondContact O-N 2.95Å |
| 884 | L | 54.6 | Low | 53.1 | Low | 145 Ų | 145 | 87.7 Ų | 87.7 | 76% | 0.759 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -95.7 | -20 | -175.3 | -72.1 | 168.5 | 0 | 0 | 0 | 115.3 | N880 E881 I882 | N880-L884 WeakPolarHBondContact O-CB 3.12Å; N880-L884 VanDerWaalsContact O-CG 3.31Å; N880-L884 WeakPolarHBondContact O-CG 3.41Å; N880-L884 PolarHBondContact O-N 3.47Å; E881-L884 PolarHBondContact O-N 3.35Å; I882-L884 PolarHBondContact O-N 2.83Å |
| 885 | K | 47.5 | Very low | 52.8 | Low | 125 Ų | 125 | 82.6 Ų | 82.6 | 54% | 0.543 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -101.7 | -31.9 | -170.1 | -70.6 | 178 | -178 | 179.5 | 0 | 115.3 | E881 I882 H887 | E881-K885 HydrophobicContact CB-CD 4.32Å; E881-K885 VanDerWaalsContact O-CB 3.23Å; E881-K885 WeakPolarHBondContact O-CB 3.4Å; E881-K885 VanDerWaalsContact O-CG 3.22Å; E881-K885 WeakPolarHBondContact O-CG 3.47Å; E881-K885 PolarHBondContact O-N 2.9Å; E881-K885 WeakPolarHBondContact OE1-CE 3.46Å; E881-K885 IonicContact OE1-NZ 2.69Å; E881-K885 PolarHBondContact OE1-NZ 2.92Å; E881-K885 IonicContact OE2-NZ 2.68Å; E881-K885 PolarHBondContact OE2-NZ 2.88Å; I882-K885 PolarHBondContact O-N 3.3Å; K885-H887 PolarHBondContact O-N 2.88Å |
| 886 | D | 42.1 | Very low | 52.8 | Low | 84 Ų | 84 | 82.5 Ų | 82.5 | 45% | 0.449 | 41% | 0.41 | S | S | . | . | trans | -93.9 | 101.7 | -170.1 | -84.6 | -42.7 | 0 | 0 | 0 | 113.8 | L888 I889 | D886-L888 PolarHBondContact O-N 2.88Å; D886-I889 HydrophobicContact CB-CD1 3.83Å; D886-I889 HydrophobicContact CB-CG1 3.87Å; D886-I889 PolarHBondContact O-N 3.18Å | ||
| 887 | H | 46.8 | Very low | 52.5 | Low | 172 Ų | 172 | 80.7 Ų | 80.7 | 80% | 0.796 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -9.4 | 169.4 | -72.7 | -50.7 | 0 | 0 | 0 | 114.8 | K885 | K885-H887 PolarHBondContact O-N 2.88Š|
| 888 | L | 41.1 | Very low | 52.3 | Low | 135 Ų | 135 | 75.4 Ų | 75.4 | 71% | 0.707 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -29.2 | 174.3 | -72 | 163.9 | 0 | 0 | 0 | 113.2 | D886 H890 K891 | D886-L888 PolarHBondContact O-N 2.88Å; L888-H890 VanDerWaalsContact C-N 3.25Å; L888-H890 PolarHBondContact O-N 3.12Å; L888-K891 PolarHBondContact O-N 2.76Å |
| 889 | I | 45.2 | Very low | 52.3 | Low | 21 Ų | 21 | 74.5 Ų | 74.5 | 11% | 0.108 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -68.5 | -24.4 | -173.5 | -63.9 | 177.9 | 0 | 0 | 0 | 112.1 | I882 D886 K891 E892 L895 N896 I899 | I882-I889 HydrophobicContact CG2-CD1 3.65Å; I882-I889 WeakPolarHBondContact O-CD1 3.43Å; D886-I889 HydrophobicContact CB-CD1 3.83Å; D886-I889 HydrophobicContact CB-CG1 3.87Å; D886-I889 PolarHBondContact O-N 3.18Å; I889-K891 PolarHBondContact O-N 3.12Å; I889-E892 PolarHBondContact O-N 2.89Å; I889-L895 HydrophobicContact CG1-CD2 4.43Å; I889-N896 HydrophobicContact CG2-CB 4.08Å; I889-I899 HydrophobicContact CD1-CD1 4.41Å |
| 890 | H | 47.8 | Very low | 52.5 | Low | 171 Ų | 171 | 73.5 Ų | 73.5 | 79% | 0.792 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -55.8 | -9.9 | 171 | -79.1 | -61.5 | 0 | 0 | 0 | 115.1 | L888 | L888-H890 VanDerWaalsContact C-N 3.25Å; L888-H890 PolarHBondContact O-N 3.12Å |
| 891 | K | 46.1 | Very low | 52.4 | Low | 178 Ų | 178 | 72 Ų | 72 | 77% | 0.774 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -95.7 | -18.6 | 175.5 | -72 | -175.4 | 174.6 | 179.7 | 0 | 115.5 | L888 I889 P893 | L888-K891 PolarHBondContact O-N 2.76Å; I889-K891 PolarHBondContact O-N 3.12Å; K891-P893 WeakPolarHBondContact O-CD 3.25Å |
| 892 | E | 51.8 | Low | 52.3 | Low | 54 Ų | 54 | 71.2 Ų | 71.2 | 25% | 0.252 | 36% | 0.355 | S | S | . | . | trans | -119.8 | 85.4 | -179.7 | -66 | -151 | 126.9 | 0 | 0 | 110.7 | S790 I889 I894 L895 N896 | S790-E892 WeakPolarHBondContact CB-OE2 3.29Å; S790-E892 PolarHBondContact OG-OE2 2.69Å; I889-E892 PolarHBondContact O-N 2.89Å; E892-I894 PolarHBondContact O-N 3.08Å; E892-I894 VanDerWaalsContact O-N 3.14Å; E892-L895 HydrophobicContact CB-CB 3.89Å; E892-L895 WeakPolarHBondContact O-CB 3.46Å; E892-L895 PolarHBondContact O-N 3.05Å; E892-N896 PolarHBondContact O-N 2.83Å | ||
| 893 | P | 56.9 | Low | 52.6 | Low | 86 Ų | 86 | 70.1 Ų | 70.1 | 56% | 0.558 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.3 | -22.4 | 179.6 | 25.9 | -35.1 | 0 | 0 | 0 | 113 | K891 S897 | K891-P893 WeakPolarHBondContact O-CD 3.25Å; P893-S897 WeakPolarHBondContact O-CB 3.49Å; P893-S897 PolarHBondContact O-N 3.45Å; P893-S897 PolarHBondContact O-OG 3.12Å |
| 894 | I | 57.1 | Low | 52.7 | Low | 57 Ų | 57 | 68.6 Ų | 68.6 | 29% | 0.292 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 172.6 | -53.5 | 173.5 | 0 | 0 | 0 | 110.3 | V787 E892 S897 V898 | V787-I894 HydrophobicContact CG1-CG2 4.41Å; V787-I894 HydrophobicContact CG2-CB 3.97Å; V787-I894 HydrophobicContact CG2-CD1 4.28Å; V787-I894 HydrophobicContact CG2-CG2 3.9Å; E892-I894 PolarHBondContact O-N 3.08Å; E892-I894 VanDerWaalsContact O-N 3.14Å; I894-S897 WeakPolarHBondContact CA-OG 3.49Å; I894-S897 PolarHBondContact O-N 3.16Å; I894-S897 PolarHBondContact O-OG 3.15Å; I894-S897 VanDerWaalsContact O-OG 3.11Å; I894-V898 VanDerWaalsContact O-CG2 3.32Å; I894-V898 WeakPolarHBondContact O-CG2 3.42Å; I894-V898 PolarHBondContact O-N 2.8Å |
| 895 | L | 55 | Low | 52.7 | Low | 19 Ų | 19 | 64.8 Ų | 64.8 | 10% | 0.099 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 177.4 | -176.8 | 63.1 | 0 | 0 | 0 | 110.7 | L791 L794 I889 E892 S897 V898 I899 | L791-L895 HydrophobicContact CD1-CD1 4.02Å; L794-L895 HydrophobicContact CD2-CD1 4.4Å; I889-L895 HydrophobicContact CG1-CD2 4.43Å; E892-L895 HydrophobicContact CB-CB 3.89Å; E892-L895 WeakPolarHBondContact O-CB 3.46Å; E892-L895 PolarHBondContact O-N 3.05Å; L895-S897 PolarHBondContact O-N 3.02Å; L895-V898 PolarHBondContact O-N 3.27Å; L895-I899 HydrophobicContact CD1-CD1 4.42Å; L895-I899 HydrophobicContact CG-CD1 4.09Å; L895-I899 WeakPolarHBondContact O-CG1 3.44Å; L895-I899 PolarHBondContact O-N 2.93Å |
| 896 | N | 58.1 | Low | 53 | Low | 48 Ų | 48 | 60.7 Ų | 60.7 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 178.3 | -159.1 | 38.5 | 0 | 0 | 0 | 112.5 | I889 E892 I899 M900 | I889-N896 HydrophobicContact CG2-CB 4.08Å; E892-N896 PolarHBondContact O-N 2.83Å; N896-I899 PolarHBondContact O-N 3.01Å; N896-M900 WeakPolarHBondContact O-CG 3.35Å; N896-M900 PolarHBondContact O-N 2.94Å |
| 897 | S | 57.2 | Low | 53.6 | Low | 6 Ų | 6 | 58.3 Ų | 58.3 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.8 | -30.6 | 174.3 | 49.7 | 0 | 0 | 0 | 0 | 113.3 | P893 I894 L895 M900 L901 | P893-S897 WeakPolarHBondContact O-CB 3.49Å; P893-S897 PolarHBondContact O-N 3.45Å; P893-S897 PolarHBondContact O-OG 3.12Å; I894-S897 WeakPolarHBondContact CA-OG 3.49Å; I894-S897 PolarHBondContact O-N 3.16Å; I894-S897 PolarHBondContact O-OG 3.15Å; I894-S897 VanDerWaalsContact O-OG 3.11Å; L895-S897 PolarHBondContact O-N 3.02Å; S897-M900 PolarHBondContact O-N 3.44Å; S897-L901 WeakPolarHBondContact O-CB 3.29Å; S897-L901 WeakPolarHBondContact O-CD1 3.39Å; S897-L901 WeakPolarHBondContact O-CG 3.2Å; S897-L901 PolarHBondContact O-N 3.32Å |
| 898 | V | 55 | Low | 54.1 | Low | 6 Ų | 6 | 59 Ų | 59 | 4% | 0.036 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.7 | -41.2 | 168.9 | 170 | 0 | 0 | 0 | 0 | 111.4 | I894 L895 L901 F902 | I894-V898 VanDerWaalsContact O-CG2 3.32Å; I894-V898 WeakPolarHBondContact O-CG2 3.42Å; I894-V898 PolarHBondContact O-N 2.8Å; L895-V898 PolarHBondContact O-N 3.27Å; V898-L901 WeakPolarHBondContact O-CB 3.41Å; V898-L901 PolarHBondContact O-N 2.97Å; V898-F902 HydrophobicContact CG1-CD2 4.04Å; V898-F902 HydrophobicContact CG1-CE2 4.19Å; V898-F902 WeakPolarHBondContact O-CD2 3.39Å; V898-F902 PolarHBondContact O-N 3.17Å |
| 899 | I | 56.7 | Low | 54.9 | Low | 11 Ų | 11 | 61.2 Ų | 61.2 | 6% | 0.056 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 174.1 | -67.8 | 165.1 | 0 | 0 | 0 | 110.8 | I882 I889 L895 N896 F902 N903 | I882-I899 HydrophobicContact CG2-CD1 4.15Å; I889-I899 HydrophobicContact CD1-CD1 4.41Å; L895-I899 HydrophobicContact CD1-CD1 4.42Å; L895-I899 HydrophobicContact CG-CD1 4.09Å; L895-I899 WeakPolarHBondContact O-CG1 3.44Å; L895-I899 PolarHBondContact O-N 2.93Å; N896-I899 PolarHBondContact O-N 3.01Å; I899-F902 PolarHBondContact O-N 3.06Å; I899-N903 PolarHBondContact O-N 2.89Å |
| 900 | M | 59.2 | Low | 55.6 | Low | 14 Ų | 14 | 63.6 Ų | 63.6 | 7% | 0.069 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 172.9 | -67 | -120.4 | 74.4 | 0 | 0 | 111.7 | N896 S897 F902 N903 C904 I914 N917 W918 | N896-M900 WeakPolarHBondContact O-CG 3.35Å; N896-M900 PolarHBondContact O-N 2.94Å; S897-M900 PolarHBondContact O-N 3.44Å; M900-F902 PolarHBondContact O-N 2.84Å; M900-N903 CarbonylContact O-C 3.17Å; M900-N903 WeakPolarHBondContact O-CA 3.33Å; M900-N903 WeakPolarHBondContact O-CB 3.45Å; M900-N903 PolarHBondContact O-N 2.83Å; M900-N903 VanDerWaalsContact O-N 3.09Å; M900-C904 PolarHBondContact O-N 3.35Å; M900-C904 PolarHBondContact O-SG 2.84Å; M900-I914 HydrophobicContact CE-CG1 3.97Å; M900-N917 HydrophobicContact SD-CB 3.69Å; M900-W918 HydrophobicContact CB-CE3 4.43Å; M900-W918 HydrophobicContact CB-CZ3 4.2Å |
| 901 | L | 57 | Low | 56.4 | Low | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 175.1 | -84.1 | 159.8 | 0 | 0 | 0 | 113.1 | L773 I777 S897 V898 N903 C904 A905 W918 | L773-L901 HydrophobicContact CD1-CD2 3.87Å; L773-L901 HydrophobicContact CD2-CD2 4.37Å; L773-L901 HydrophobicContact CG-CD2 4.25Å; I777-L901 HydrophobicContact CD1-CB 4.07Å; I777-L901 HydrophobicContact CD1-CD2 4.49Å; I777-L901 HydrophobicContact CG1-CB 3.98Å; I777-L901 HydrophobicContact CG1-CD1 3.95Å; I777-L901 HydrophobicContact CG1-CD2 4.22Å; I777-L901 HydrophobicContact CG1-CG 4.27Å; S897-L901 WeakPolarHBondContact O-CB 3.29Å; S897-L901 WeakPolarHBondContact O-CD1 3.39Å; S897-L901 WeakPolarHBondContact O-CG 3.2Å; S897-L901 PolarHBondContact O-N 3.32Å; V898-L901 WeakPolarHBondContact O-CB 3.41Å; V898-L901 PolarHBondContact O-N 2.97Å; L901-N903 VanDerWaalsContact C-N 3.34Å; L901-C904 WeakPolarHBondContact O-CB 3.33Å; L901-C904 PolarHBondContact O-N 2.88Å; L901-A905 PolarHBondContact O-N 3.14Å; L901-W918 HydrophobicContact CD1-CH2 4.06Å; L901-W918 HydrophobicContact CD2-CH2 3.9Å; L901-W918 HydrophobicContact CG-CH2 3.68Å; L901-W918 HydrophobicContact CG-CZ3 4.17Å |
| 902 | F | 57 | Low | 57.3 | Low | 77 Ų | 77 | 51.7 Ų | 51.7 | 34% | 0.338 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 172.2 | -96 | -82.6 | 0 | 0 | 0 | 111.9 | W774 L879 V898 I899 M900 A905 L906 | W774-F902 HydrophobicContact CH2-CE1 4.24Å; W774-F902 HydrophobicContact CH2-CE2 4.43Å; W774-F902 AromaticContact CH2-CZ 3.7Å; W774-F902 HydrophobicContact CH2-CZ 3.7Å; W774-F902 HydrophobicContact CZ3-CE1 4.31Å; W774-F902 HydrophobicContact CZ3-CE2 4.35Å; W774-F902 AromaticContact CZ3-CZ 3.9Å; W774-F902 HydrophobicContact CZ3-CZ 3.9Å; L879-F902 HydrophobicContact CD1-CB 4.25Å; V898-F902 HydrophobicContact CG1-CD2 4.04Å; V898-F902 HydrophobicContact CG1-CE2 4.19Å; V898-F902 WeakPolarHBondContact O-CD2 3.39Å; V898-F902 PolarHBondContact O-N 3.17Å; I899-F902 PolarHBondContact O-N 3.06Å; M900-F902 PolarHBondContact O-N 2.84Å; F902-A905 PolarHBondContact O-N 2.96Å; F902-L906 WeakPolarHBondContact O-CB 3.42Å; F902-L906 VanDerWaalsContact O-CG 3.31Å; F902-L906 WeakPolarHBondContact O-CG 3.3Å; F902-L906 PolarHBondContact O-N 2.9Å |
| 903 | N | 58.1 | Low | 57.7 | Low | 13 Ų | 13 | 52 Ų | 52 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 174.5 | -79.7 | -13.6 | 0 | 0 | 0 | 112.5 | N880 I899 M900 L901 L906 I907 | N880-N903 PolarHBondContact OD1-ND2 3.13Å; N880-N903 VanDerWaalsContact OD1-ND2 3.12Å; I899-N903 PolarHBondContact O-N 2.89Å; M900-N903 CarbonylContact O-C 3.17Å; M900-N903 WeakPolarHBondContact O-CA 3.33Å; M900-N903 WeakPolarHBondContact O-CB 3.45Å; M900-N903 PolarHBondContact O-N 2.83Å; M900-N903 VanDerWaalsContact O-N 3.09Å; L901-N903 VanDerWaalsContact C-N 3.34Å; N903-L906 PolarHBondContact O-N 2.88Å; N903-I907 PolarHBondContact O-N 2.96Å |
| 904 | C | 56 | Low | 58 | Low | 15 Ų | 15 | 48.3 Ų | 48.3 | 10% | 0.101 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59 | -45.6 | 170.6 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | M900 L901 L906 I914 | M900-C904 PolarHBondContact O-N 3.35Å; M900-C904 PolarHBondContact O-SG 2.84Å; L901-C904 WeakPolarHBondContact O-CB 3.33Å; L901-C904 PolarHBondContact O-N 2.88Å; C904-L906 VanDerWaalsContact C-N 3.34Å; C904-L906 PolarHBondContact O-N 2.79Å; C904-I914 HydrophobicContact CB-CD1 4.31Å; C904-I914 WeakPolarHBondContact SG-CD1 3.38Å |
| 905 | A | 54.9 | Low | 58.4 | Low | 65 Ų | 65 | 45.7 Ų | 45.7 | 54% | 0.537 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.1 | -31.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L773 L901 F902 | L773-A905 HydrophobicContact CD2-CB 4.27Å; L901-A905 PolarHBondContact O-N 3.14Å; F902-A905 PolarHBondContact O-N 2.96Å |
| 906 | L | 53.7 | Low | 58.9 | Low | 38 Ų | 38 | 48.5 Ų | 48.5 | 20% | 0.199 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -86.6 | -32.2 | -179.5 | -71.9 | 167.5 | 0 | 0 | 0 | 113.7 | K872 L875 L879 F902 N903 C904 | K872-L906 WeakPolarHBondContact CE-O 3.42Å; L875-L906 HydrophobicContact CB-CD1 4.41Å; L879-L906 HydrophobicContact CD1-CD1 3.43Å; L879-L906 VanDerWaalsContact CD1-CD1 3.43Å; F902-L906 WeakPolarHBondContact O-CB 3.42Å; F902-L906 VanDerWaalsContact O-CG 3.31Å; F902-L906 WeakPolarHBondContact O-CG 3.3Å; F902-L906 PolarHBondContact O-N 2.9Å; N903-L906 PolarHBondContact O-N 2.88Å; C904-L906 VanDerWaalsContact C-N 3.34Å; C904-L906 PolarHBondContact O-N 2.79Å |
| 907 | I | 55.1 | Low | 59.2 | Low | 34 Ų | 34 | 50.3 Ų | 50.3 | 17% | 0.174 | 25% | 0.25 | C | S | . | . | trans | -130.1 | 110.5 | -179.6 | -65 | -162.9 | 0 | 0 | 0 | 111.2 | Y876 N903 E909 | Y876-I907 HydrophobicContact CD1-CD1 3.44Å; Y876-I907 VanDerWaalsContact CD1-CD1 3.44Å; Y876-I907 HydrophobicContact CD2-CD1 3.55Å; Y876-I907 HydrophobicContact CD2-CG1 4.09Å; Y876-I907 HydrophobicContact CE1-CD1 3.6Å; Y876-I907 HydrophobicContact CE2-CD1 3.71Å; Y876-I907 HydrophobicContact CE2-CG1 4.43Å; Y876-I907 HydrophobicContact CG-CD1 3.38Å; Y876-I907 HydrophobicContact CG-CG1 4.18Å; N903-I907 PolarHBondContact O-N 2.96Å; I907-E909 HydrophobicContact CG2-CB 4.08Å; I907-E909 PolarHBondContact O-N 2.88Å | ||
| 908 | R | 56.4 | Low | 59.6 | Low | 188 Ų | 188 | 50.5 Ų | 50.5 | 71% | 0.709 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -8.5 | 179.7 | -66.1 | -178.1 | 171.8 | -169 | -6.2 | 115 | W911 | R908-W911 PolarHBondContact O-NE1 2.86Å; R908-W911 VanDerWaalsContact O-NE1 3.16Å |
| 909 | E | 57.8 | Low | 60.1 | Low | 180 Ų | 180 | 51.7 Ų | 51.7 | 84% | 0.841 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -11.9 | -156.6 | -61.7 | 179.7 | 168.9 | 0 | 0 | 115.7 | I907 | I907-E909 HydrophobicContact CG2-CB 4.08Å; I907-E909 PolarHBondContact O-N 2.88Å |
| 910 | N | 59.6 | Low | 60.5 | Low | 72 Ų | 72 | 52.1 Ų | 52.1 | 39% | 0.385 | 26% | 0.26 | S | S | . | . | trans | -128.9 | 63.2 | -170.7 | -165 | -9.8 | 0 | 0 | 0 | 114.2 | I912 N913 | N910-I912 VanDerWaalsContact C-N 3.32Å; N910-I912 PolarHBondContact O-N 3.22Å; N910-N913 PolarHBondContact OD1-N 3.09Å | ||
| 911 | W | 65.2 | Low | 60.8 | Low | 26 Ų | 26 | 55.7 Ų | 55.7 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.3 | -34.6 | 176.3 | -66.7 | 96.8 | 0 | 0 | 0 | 113.9 | R908 N913 I914 V915 F930 H933 L934 L945 | R908-W911 PolarHBondContact O-NE1 2.86Å; R908-W911 VanDerWaalsContact O-NE1 3.16Å; W911-N913 PolarHBondContact O-N 3.37Å; W911-I914 HydrophobicContact CE3-CD1 4.38Å; W911-I914 WeakPolarHBondContact O-CA 3.46Å; W911-I914 WeakPolarHBondContact O-CB 3.44Å; W911-I914 PolarHBondContact O-N 3.16Å; W911-V915 VanDerWaalsContact O-CG2 3.3Å; W911-V915 WeakPolarHBondContact O-CG2 3.23Å; W911-V915 PolarHBondContact O-N 2.87Å; W911-F930 HydrophobicContact CE3-CD1 4.14Å; W911-F930 HydrophobicContact CE3-CE1 4.12Å; W911-F930 HydrophobicContact CZ3-CD1 4.27Å; W911-H933 HydrophobicContact CH2-CB 3.63Å; W911-H933 AromaticContact CH2-CD2 3.89Å; W911-H933 HydrophobicContact CZ2-CB 3.83Å; W911-L934 HydrophobicContact CD2-CD2 4.23Å; W911-L934 HydrophobicContact CG-CD2 4.45Å; W911-L934 HydrophobicContact CZ2-CD2 4.15Å; W911-L934 HydrophobicContact CZ2-CG 4.41Å; W911-L945 HydrophobicContact CB-CD1 3.54Å; W911-L945 HydrophobicContact CB-CD2 4Å; W911-L945 HydrophobicContact CB-CG 4.46Å; W911-L945 HydrophobicContact CG-CD1 3.96Å |
| 912 | I | 64.9 | Low | 61.2 | Low | 72 Ų | 72 | 57.5 Ų | 57.5 | 37% | 0.369 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.3 | -48.3 | -175.6 | -60.9 | 169.8 | 0 | 0 | 0 | 111.2 | N910 I914 V915 E916 L945 | N910-I912 VanDerWaalsContact C-N 3.32Å; N910-I912 PolarHBondContact O-N 3.22Å; I912-I914 PolarHBondContact O-N 3.05Å; I912-I914 VanDerWaalsContact O-N 3.16Å; I912-V915 PolarHBondContact O-N 3.49Å; I912-E916 PolarHBondContact O-N 2.86Å; I912-L945 HydrophobicContact CG1-CD2 4.31Å |
| 913 | N | 60.6 | Low | 61.5 | Low | 60 Ų | 60 | 55.2 Ų | 55.2 | 32% | 0.321 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.8 | -22 | 179.9 | -170.5 | 35.9 | 0 | 0 | 0 | 113.1 | N910 W911 N917 | N910-N913 PolarHBondContact OD1-N 3.09Å; W911-N913 PolarHBondContact O-N 3.37Å; N913-N917 WeakPolarHBondContact O-CB 2.97Å; N913-N917 PolarHBondContact O-ND2 2.99Å; N913-N917 PolarHBondContact OD1-ND2 2.93Å |
| 914 | I | 63.9 | Low | 61.7 | Low | 10 Ų | 10 | 59.6 Ų | 59.6 | 5% | 0.051 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -78.8 | -46 | 172.8 | -62.9 | 147.3 | 0 | 0 | 0 | 109.5 | M900 C904 W911 I912 E916 N917 W918 I926 | M900-I914 HydrophobicContact CE-CG1 3.97Å; C904-I914 HydrophobicContact CB-CD1 4.31Å; C904-I914 WeakPolarHBondContact SG-CD1 3.38Å; W911-I914 HydrophobicContact CE3-CD1 4.38Å; W911-I914 WeakPolarHBondContact O-CA 3.46Å; W911-I914 WeakPolarHBondContact O-CB 3.44Å; W911-I914 PolarHBondContact O-N 3.16Å; I912-I914 PolarHBondContact O-N 3.05Å; I912-I914 VanDerWaalsContact O-N 3.16Å; I914-E916 VanDerWaalsContact C-N 3.26Å; I914-E916 PolarHBondContact O-N 2.93Å; I914-N917 PolarHBondContact O-N 2.79Å; I914-W918 HydrophobicContact CG2-CE3 3.75Å; I914-W918 HydrophobicContact CG2-CZ3 4.14Å; I914-W918 WeakPolarHBondContact O-CB 3.49Å; I914-W918 PolarHBondContact O-N 2.66Å; I914-I926 HydrophobicContact CG2-CD1 4.08Å |
| 915 | V | 65.6 | Low | 62.1 | Low | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.3 | -35.5 | 177.3 | -167.8 | 0 | 0 | 0 | 0 | 112.3 | W911 I912 F930 L945 F978 R981 | W911-V915 VanDerWaalsContact O-CG2 3.3Å; W911-V915 WeakPolarHBondContact O-CG2 3.23Å; W911-V915 PolarHBondContact O-N 2.87Å; I912-V915 PolarHBondContact O-N 3.49Å; V915-F930 HydrophobicContact CG2-CE1 4.16Å; V915-F930 HydrophobicContact CG2-CZ 3.74Å; V915-L945 HydrophobicContact CG2-CD2 3.82Å; V915-F978 HydrophobicContact CG1-CB 3.84Å; V915-F978 HydrophobicContact CG1-CD2 3.98Å; V915-F978 HydrophobicContact CG1-CG 4.36Å; V915-R981 PolarHBondContact O-NH1 3.17Å |
| 916 | E | 65.5 | Low | 62.6 | Low | 78 Ų | 78 | 57 Ų | 57 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -75.1 | -29.2 | 179 | -70.8 | -175.4 | 164.8 | 0 | 0 | 113.9 | I912 I914 R981 | I912-E916 PolarHBondContact O-N 2.86Å; I914-E916 VanDerWaalsContact C-N 3.26Å; I914-E916 PolarHBondContact O-N 2.93Å; E916-R981 PolarHBondContact O-NH1 3.06Å; E916-R981 PolarHBondContact O-NH2 3.47Å |
| 917 | N | 62.9 | Low | 63 | Low | 85 Ų | 85 | 55.9 Ų | 55.9 | 46% | 0.455 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -110.2 | -6.2 | -173.2 | -68.4 | -71.9 | 0 | 0 | 0 | 115.1 | M900 N913 I914 | M900-N917 HydrophobicContact SD-CB 3.69Å; N913-N917 WeakPolarHBondContact O-CB 2.97Å; N913-N917 PolarHBondContact O-ND2 2.99Å; N913-N917 PolarHBondContact OD1-ND2 2.93Å; I914-N917 PolarHBondContact O-N 2.79Å |
| 918 | W | 66.5 | Low | 63.3 | Low | 10 Ų | 10 | 56.7 Ų | 56.7 | 4% | 0.038 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -68.1 | 139.6 | -178.8 | -159.8 | -95.3 | 0 | 0 | 0 | 113.6 | M900 L901 I914 L920 D922 I926 | M900-W918 HydrophobicContact CB-CE3 4.43Å; M900-W918 HydrophobicContact CB-CZ3 4.2Å; L901-W918 HydrophobicContact CD1-CH2 4.06Å; L901-W918 HydrophobicContact CD2-CH2 3.9Å; L901-W918 HydrophobicContact CG-CH2 3.68Å; L901-W918 HydrophobicContact CG-CZ3 4.17Å; I914-W918 HydrophobicContact CG2-CE3 3.75Å; I914-W918 HydrophobicContact CG2-CZ3 4.14Å; I914-W918 WeakPolarHBondContact O-CB 3.49Å; I914-W918 PolarHBondContact O-N 2.66Å; W918-L920 PolarHBondContact O-N 3.01Å; W918-D922 PolarHBondContact NE1-O 2.94Å; W918-D922 VanDerWaalsContact NE1-O 3.12Å; W918-I926 HydrophobicContact CB-CD1 3.88Å; W918-I926 HydrophobicContact CD2-CB 4Å; W918-I926 HydrophobicContact CD2-CD1 4.18Å; W918-I926 HydrophobicContact CG-CB 4.02Å; W918-I926 HydrophobicContact CG-CD1 3.88Å; W918-I926 HydrophobicContact CG-CG2 4.11Å; W918-I926 HydrophobicContact CZ2-CB 4.23Å |
| 919 | P | 65.3 | Low | 63.5 | Low | 31 Ų | 31 | 48 Ų | 48 | 20% | 0.201 | 25% | 0.25 | C | S | . | . | trans | -67.7 | 117.5 | 172.9 | 26.1 | -33.1 | 0 | 0 | 0 | 111.8 | S921 D922 | P919-S921 PolarHBondContact O-N 2.93Å; P919-D922 HydrophobicContact CG-CB 4.28Å; P919-D922 PolarHBondContact O-N 2.56Å | ||
| 920 | L | 65.3 | Low | 63.9 | Low | 21 Ų | 21 | 39.5 Ų | 39.5 | 11% | 0.11 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -63.1 | -22 | -177.9 | -64.2 | 173.4 | 0 | 0 | 0 | 113.9 | W918 D922 W923 F978 R981 L982 H985 | W918-L920 PolarHBondContact O-N 3.01Å; L920-D922 PolarHBondContact O-N 2.83Å; L920-D922 VanDerWaalsContact O-N 3.12Å; L920-W923 PolarHBondContact O-N 3.37Å; L920-F978 HydrophobicContact CD2-CE2 4.08Å; L920-R981 HydrophobicContact CD1-CB 4.36Å; L920-R981 HydrophobicContact CD2-CB 4Å; L920-L982 HydrophobicContact CD2-CD2 4.2Å; L920-H985 WeakPolarHBondContact CD1-CD2 3.49Å |
| 921 | S | 65.7 | Low | 63.9 | Low | 88 Ų | 88 | 38.8 Ų | 38.8 | 62% | 0.615 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -54 | -26.5 | 168.1 | 49.4 | 0 | 0 | 0 | 0 | 113.3 | P919 | P919-S921 PolarHBondContact O-N 2.93Š|
| 922 | D | 65.2 | Low | 63.6 | Low | 42 Ų | 42 | 39.6 Ų | 39.6 | 23% | 0.225 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -116.4 | 32.7 | -170.8 | -67.8 | -70.7 | 0 | 0 | 0 | 111.7 | R780 W918 P919 L920 K924 T925 | R780-D922 IonicContact CZ-OD1 3.92Å; R780-D922 IonicContact NH1-OD1 3.95Å; R780-D922 PolarHBondContact NH1-OD1 3.26Å; R780-D922 IonicContact NH1-OD2 2.89Å; R780-D922 VanDerWaalsContact NH2-CG 3.29Å; R780-D922 IonicContact NH2-OD1 3.44Å; R780-D922 PolarHBondContact NH2-OD1 2.92Å; W918-D922 PolarHBondContact NE1-O 2.94Å; W918-D922 VanDerWaalsContact NE1-O 3.12Å; P919-D922 HydrophobicContact CG-CB 4.28Å; P919-D922 PolarHBondContact O-N 2.56Å; L920-D922 PolarHBondContact O-N 2.83Å; L920-D922 VanDerWaalsContact O-N 3.12Å; D922-K924 PolarHBondContact O-N 3.18Å; D922-T925 PolarHBondContact O-N 2.98Å; D922-T925 PolarHBondContact O-OG1 2.95Å |
| 923 | W | 63.7 | Low | 63.4 | Low | 30 Ų | 30 | 39 Ų | 39 | 11% | 0.114 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -53.1 | -36.7 | 179 | 69.6 | -98.6 | 0 | 0 | 0 | 113 | L920 T925 I926 L927 F978 L982 A1002 I1005 | L920-W923 PolarHBondContact O-N 3.37Å; W923-T925 VanDerWaalsContact C-N 3.29Å; W923-T925 PolarHBondContact O-N 3.22Å; W923-I926 WeakPolarHBondContact O-CG2 3.42Å; W923-I926 PolarHBondContact O-N 2.67Å; W923-L927 HydrophobicContact CE3-CD2 4.25Å; W923-L927 HydrophobicContact CZ3-CD2 3.89Å; W923-L927 WeakPolarHBondContact O-CB 3.33Å; W923-L927 PolarHBondContact O-N 2.83Å; W923-F978 HydrophobicContact CB-CE1 4.32Å; W923-F978 HydrophobicContact CB-CZ 3.76Å; W923-L982 HydrophobicContact CB-CD2 4Å; W923-L982 HydrophobicContact CG-CD2 4.43Å; W923-A1002 HydrophobicContact CD2-CB 3.65Å; W923-A1002 HydrophobicContact CE3-CB 3.86Å; W923-A1002 HydrophobicContact CG-CB 4.23Å; W923-A1002 HydrophobicContact CH2-CB 3.92Å; W923-A1002 HydrophobicContact CZ2-CB 3.7Å; W923-A1002 HydrophobicContact CZ3-CB 4Å; W923-I1005 HydrophobicContact CH2-CD1 4.12Å |
| 924 | K | 62.4 | Low | 63.4 | Low | 104 Ų | 104 | 36.4 Ų | 36.4 | 45% | 0.452 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -57.6 | -41.7 | 178.4 | -61.2 | -179.2 | -174.3 | 176.3 | 0 | 111.6 | D922 L927 T928 | D922-K924 PolarHBondContact O-N 3.18Å; K924-L927 PolarHBondContact O-N 2.91Å; K924-T928 WeakPolarHBondContact O-CG2 3.14Å; K924-T928 PolarHBondContact O-N 2.87Å; K924-T928 PolarHBondContact O-OG1 2.66Å |
| 925 | T | 63 | Low | 63.3 | Low | 25 Ų | 25 | 42.5 Ų | 42.5 | 15% | 0.153 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -75 | -31.5 | -178.2 | 24 | 0 | 0 | 0 | 0 | 114.7 | V776 R780 D922 W923 T928 A929 | V776-T925 HydrophobicContact CG1-CG2 3.76Å; R780-T925 PolarHBondContact NH2-OG1 3.03Å; D922-T925 PolarHBondContact O-N 2.98Å; D922-T925 PolarHBondContact O-OG1 2.95Å; W923-T925 VanDerWaalsContact C-N 3.29Å; W923-T925 PolarHBondContact O-N 3.22Å; T925-T928 WeakPolarHBondContact CA-OG1 3.38Å; T925-T928 PolarHBondContact O-OG1 3.19Å; T925-A929 WeakPolarHBondContact O-CB 3.39Å; T925-A929 PolarHBondContact O-N 3.4Å |
| 926 | I | 65.7 | Low | 63 | Low | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -75.8 | -35.3 | 172 | -178.7 | 167.8 | 0 | 0 | 0 | 110.8 | I914 W918 W923 A929 F930 F978 | I914-I926 HydrophobicContact CG2-CD1 4.08Å; W918-I926 HydrophobicContact CB-CD1 3.88Å; W918-I926 HydrophobicContact CD2-CB 4Å; W918-I926 HydrophobicContact CD2-CD1 4.18Å; W918-I926 HydrophobicContact CG-CB 4.02Å; W918-I926 HydrophobicContact CG-CD1 3.88Å; W918-I926 HydrophobicContact CG-CG2 4.11Å; W918-I926 HydrophobicContact CZ2-CB 4.23Å; W923-I926 WeakPolarHBondContact O-CG2 3.42Å; W923-I926 PolarHBondContact O-N 2.67Å; I926-A929 WeakPolarHBondContact O-CB 3.44Å; I926-A929 PolarHBondContact O-N 2.93Å; I926-A929 VanDerWaalsContact O-N 3.13Å; I926-F930 HydrophobicContact CD1-CE1 4.04Å; I926-F930 HydrophobicContact CD1-CE2 4.28Å; I926-F930 HydrophobicContact CD1-CZ 3.63Å; I926-F930 HydrophobicContact CG1-CD1 4.26Å; I926-F930 HydrophobicContact CG1-CD2 4.36Å; I926-F930 HydrophobicContact CG1-CE1 3.75Å; I926-F930 HydrophobicContact CG1-CE2 3.87Å; I926-F930 HydrophobicContact CG1-CZ 3.54Å; I926-F930 VanDerWaalsContact O-CG 3.31Å; I926-F930 WeakPolarHBondContact O-CG 3.28Å; I926-F930 PolarHBondContact O-N 2.85Å; I926-F978 HydrophobicContact CD1-CE2 4.49Å; I926-F978 HydrophobicContact CG2-CE1 4.09Å; I926-F978 HydrophobicContact CG2-CE2 3.77Å; I926-F978 HydrophobicContact CG2-CZ 3.39Å |
| 927 | L | 62.3 | Low | 62.7 | Low | 13 Ų | 13 | 50.2 Ų | 50.2 | 7% | 0.068 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 172.8 | -169 | 64.9 | 0 | 0 | 0 | 111.9 | W923 K924 A929 F930 L931 I1005 I1009 | W923-L927 HydrophobicContact CE3-CD2 4.25Å; W923-L927 HydrophobicContact CZ3-CD2 3.89Å; W923-L927 WeakPolarHBondContact O-CB 3.33Å; W923-L927 PolarHBondContact O-N 2.83Å; K924-L927 PolarHBondContact O-N 2.91Å; L927-A929 VanDerWaalsContact C-N 3.32Å; L927-A929 PolarHBondContact O-N 2.92Å; L927-F930 HydrophobicContact CD1-CD2 4.35Å; L927-F930 PolarHBondContact O-N 3.34Å; L927-L931 HydrophobicContact CG-CD1 4.37Å; L927-L931 VanDerWaalsContact O-CG 3.31Å; L927-L931 WeakPolarHBondContact O-CG 3.4Å; L927-L931 PolarHBondContact O-N 2.83Å; L927-I1005 HydrophobicContact CD2-CG2 3.85Å; L927-I1009 HydrophobicContact CD1-CD1 3.87Å; L927-I1009 HydrophobicContact CD2-CD1 4Å; L927-I1009 HydrophobicContact CG-CD1 4.25Å |
| 928 | T | 60.7 | Low | 62.6 | Low | 51 Ų | 51 | 50.2 Ų | 50.2 | 31% | 0.313 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.8 | -33.1 | 171 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | K924 T925 L931 N932 | K924-T928 WeakPolarHBondContact O-CG2 3.14Å; K924-T928 PolarHBondContact O-N 2.87Å; K924-T928 PolarHBondContact O-OG1 2.66Å; T925-T928 WeakPolarHBondContact CA-OG1 3.38Å; T925-T928 PolarHBondContact O-OG1 3.19Å; T928-L931 PolarHBondContact O-N 3.04Å; T928-N932 VanDerWaalsContact O-CB 3.22Å; T928-N932 WeakPolarHBondContact O-CB 3.33Å; T928-N932 PolarHBondContact O-N 2.9Å; T928-N932 PolarHBondContact O-OD1 2.8Å; T928-N932 VanDerWaalsContact O-OD1 3.14Å |
| 929 | A | 61.6 | Low | 62.6 | Low | 7 Ų | 7 | 54 Ų | 54 | 6% | 0.058 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.4 | -38.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L773 T925 I926 L927 H933 | L773-A929 HydrophobicContact CD1-CB 4.49Å; T925-A929 WeakPolarHBondContact O-CB 3.39Å; T925-A929 PolarHBondContact O-N 3.4Å; I926-A929 WeakPolarHBondContact O-CB 3.44Å; I926-A929 PolarHBondContact O-N 2.93Å; I926-A929 VanDerWaalsContact O-N 3.13Å; L927-A929 VanDerWaalsContact C-N 3.32Å; L927-A929 PolarHBondContact O-N 2.92Å; A929-H933 WeakPolarHBondContact O-CB 3.36Å; A929-H933 PolarHBondContact O-CD2 2.8Å; A929-H933 PolarHBondContact O-N 3.09Å; A929-H933 VanDerWaalsContact O-N 3.13Å |
| 930 | F | 65.4 | Low | 62.5 | Low | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.9 | -50.3 | 171.8 | -65.5 | -26.1 | 0 | 0 | 0 | 111.5 | W911 V915 I926 L927 N932 H933 L934 L942 L945 F978 | W911-F930 HydrophobicContact CE3-CD1 4.14Å; W911-F930 HydrophobicContact CE3-CE1 4.12Å; W911-F930 HydrophobicContact CZ3-CD1 4.27Å; V915-F930 HydrophobicContact CG2-CE1 4.16Å; V915-F930 HydrophobicContact CG2-CZ 3.74Å; I926-F930 HydrophobicContact CD1-CE1 4.04Å; I926-F930 HydrophobicContact CD1-CE2 4.28Å; I926-F930 HydrophobicContact CD1-CZ 3.63Å; I926-F930 HydrophobicContact CG1-CD1 4.26Å; I926-F930 HydrophobicContact CG1-CD2 4.36Å; I926-F930 HydrophobicContact CG1-CE1 3.75Å; I926-F930 HydrophobicContact CG1-CE2 3.87Å; I926-F930 HydrophobicContact CG1-CZ 3.54Å; I926-F930 VanDerWaalsContact O-CG 3.31Å; I926-F930 WeakPolarHBondContact O-CG 3.28Å; I926-F930 PolarHBondContact O-N 2.85Å; L927-F930 HydrophobicContact CD1-CD2 4.35Å; L927-F930 PolarHBondContact O-N 3.34Å; F930-N932 VanDerWaalsContact C-N 3.34Å; F930-N932 PolarHBondContact O-N 3.11Å; F930-H933 PolarHBondContact O-N 3.03Å; F930-L934 HydrophobicContact CB-CD1 4.05Å; F930-L934 HydrophobicContact CD1-CD1 3.71Å; F930-L934 HydrophobicContact CE1-CD1 4.5Å; F930-L934 HydrophobicContact CG-CD1 4.13Å; F930-L934 WeakPolarHBondContact O-CA 3.41Å; F930-L934 VanDerWaalsContact O-CB 3.29Å; F930-L934 WeakPolarHBondContact O-CB 3.25Å; F930-L934 PolarHBondContact O-N 3.17Å; F930-L942 HydrophobicContact CB-CD1 3.72Å; F930-L945 HydrophobicContact CE1-CD1 4.43Å; F930-L945 HydrophobicContact CZ-CB 4.42Å; F930-F978 HydrophobicContact CE2-CB 4.28Å; F930-F978 HydrophobicContact CE2-CD1 4.1Å; F930-F978 HydrophobicContact CE2-CG 4.16Å |
| 931 | L | 60.5 | Low | 62.5 | Low | 57 Ų | 57 | 59.5 Ų | 59.5 | 30% | 0.298 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 179 | -67.5 | 172.8 | 0 | 0 | 0 | 112.2 | L927 T928 W935 I1009 | L927-L931 HydrophobicContact CG-CD1 4.37Å; L927-L931 VanDerWaalsContact O-CG 3.31Å; L927-L931 WeakPolarHBondContact O-CG 3.4Å; L927-L931 PolarHBondContact O-N 2.83Å; T928-L931 PolarHBondContact O-N 3.04Å; L931-W935 HydrophobicContact CD2-CE3 3.53Å; L931-W935 HydrophobicContact CD2-CZ3 3.86Å; L931-W935 WeakPolarHBondContact O-CB 3.26Å; L931-I1009 HydrophobicContact CD2-CD1 4.44Å; L931-I1009 HydrophobicContact CD2-CG2 4.28Å |
| 932 | N | 58.5 | Low | 62.5 | Low | 44 Ų | 44 | 55.4 Ų | 55.4 | 24% | 0.235 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -79.1 | -20.5 | -178.4 | -67 | 10.3 | 0 | 0 | 0 | 114.3 | L771 T928 F930 | L771-N932 WeakPolarHBondContact CB-ND2 3.37Å; L771-N932 PolarHBondContact O-ND2 3.4Å; T928-N932 VanDerWaalsContact O-CB 3.22Å; T928-N932 WeakPolarHBondContact O-CB 3.33Å; T928-N932 PolarHBondContact O-N 2.9Å; T928-N932 PolarHBondContact O-OD1 2.8Å; T928-N932 VanDerWaalsContact O-OD1 3.14Å; F930-N932 VanDerWaalsContact C-N 3.34Å; F930-N932 PolarHBondContact O-N 3.11Å |
| 933 | H | 60.2 | Low | 62.5 | Low | 60 Ų | 60 | 56.3 Ų | 56.3 | 28% | 0.278 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -118.7 | -29.1 | -174.4 | -68.2 | -48.2 | 0 | 0 | 0 | 115.5 | W911 A929 F930 | W911-H933 HydrophobicContact CH2-CB 3.63Å; W911-H933 AromaticContact CH2-CD2 3.89Å; W911-H933 HydrophobicContact CZ2-CB 3.83Å; A929-H933 WeakPolarHBondContact O-CB 3.36Å; A929-H933 PolarHBondContact O-CD2 2.8Å; A929-H933 PolarHBondContact O-N 3.09Å; A929-H933 VanDerWaalsContact O-N 3.13Å; F930-H933 PolarHBondContact O-N 3.03Å |
| 934 | L | 61.7 | Low | 62.6 | Low | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -32.1 | -177 | -60.6 | 169.1 | 0 | 0 | 0 | 112.8 | W911 F930 D936 Q937 D938 L941 L942 L945 | W911-L934 HydrophobicContact CD2-CD2 4.23Å; W911-L934 HydrophobicContact CG-CD2 4.45Å; W911-L934 HydrophobicContact CZ2-CD2 4.15Å; W911-L934 HydrophobicContact CZ2-CG 4.41Å; F930-L934 HydrophobicContact CB-CD1 4.05Å; F930-L934 HydrophobicContact CD1-CD1 3.71Å; F930-L934 HydrophobicContact CE1-CD1 4.5Å; F930-L934 HydrophobicContact CG-CD1 4.13Å; F930-L934 WeakPolarHBondContact O-CA 3.41Å; F930-L934 VanDerWaalsContact O-CB 3.29Å; F930-L934 WeakPolarHBondContact O-CB 3.25Å; F930-L934 PolarHBondContact O-N 3.17Å; L934-D936 VanDerWaalsContact C-N 3.27Å; L934-D936 PolarHBondContact O-N 2.83Å; L934-Q937 PolarHBondContact O-N 2.79Å; L934-Q937 VanDerWaalsContact O-N 3.08Å; L934-D938 CarbonylContact O-C 3.49Å; L934-D938 VanDerWaalsContact O-C 3.25Å; L934-D938 PolarHBondContact O-N 3.04Å; L934-L941 HydrophobicContact CD2-CB 4.42Å; L934-L941 HydrophobicContact CD2-CD2 3.84Å; L934-L941 HydrophobicContact CD2-CG 4.1Å; L934-L942 HydrophobicContact CB-CB 3.92Å; L934-L942 HydrophobicContact CB-CD1 4.37Å; L934-L942 HydrophobicContact CD1-CB 4.46Å; L934-L942 HydrophobicContact CD1-CD1 4.31Å; L934-L945 HydrophobicContact CD1-CD1 3.55Å |
| 935 | W | 62.4 | Low | 62.7 | Low | 139 Ų | 139 | 54.4 Ų | 54.4 | 53% | 0.527 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -40.7 | -176.1 | -171.4 | -82.2 | 0 | 0 | 0 | 113.4 | L931 I939 L942 | L931-W935 HydrophobicContact CD2-CE3 3.53Å; L931-W935 HydrophobicContact CD2-CZ3 3.86Å; L931-W935 WeakPolarHBondContact O-CB 3.26Å; W935-I939 VanDerWaalsContact O-CG1 3.26Å; W935-I939 WeakPolarHBondContact O-CG1 3.4Å; W935-L942 HydrophobicContact CD2-CD2 4.48Å; W935-L942 HydrophobicContact CE3-CD2 3.59Å; W935-L942 HydrophobicContact CZ3-CD2 4.2Å |
| 936 | D | 58.3 | Low | 62.7 | Low | 116 Ų | 116 | 53.2 Ų | 53.2 | 62% | 0.62 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -0.3 | -178.5 | -114.1 | 27.7 | 0 | 0 | 0 | 113.7 | L934 | L934-D936 VanDerWaalsContact C-N 3.27Å; L934-D936 PolarHBondContact O-N 2.83Å |
| 937 | Q | 58.5 | Low | 62.5 | Low | 125 Ų | 125 | 53.6 Ų | 53.6 | 58% | 0.584 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.6 | -48.1 | -176.7 | -66.1 | -170.7 | 23.2 | 0 | 0 | 113.8 | L934 | L934-Q937 PolarHBondContact O-N 2.79Å; L934-Q937 VanDerWaalsContact O-N 3.08Å |
| 938 | D | 62.2 | Low | 62.1 | Low | 86 Ų | 86 | 57 Ų | 57 | 46% | 0.46 | 28% | 0.279 | S | S | . | . | trans | -148.8 | 89.1 | 178.9 | -87.6 | -55.9 | 0 | 0 | 0 | 109.9 | L934 D940 L941 L942 | L934-D938 CarbonylContact O-C 3.49Å; L934-D938 VanDerWaalsContact O-C 3.25Å; L934-D938 PolarHBondContact O-N 3.04Å; D938-D940 PolarHBondContact O-N 3.25Å; D938-L941 HydrophobicContact CB-CB 3.47Å; D938-L941 VanDerWaalsContact CB-CB 3.47Å; D938-L941 HydrophobicContact CB-CD2 4.48Å; D938-L941 PolarHBondContact O-N 2.99Å; D938-L941 VanDerWaalsContact O-N 3.08Å; D938-L942 PolarHBondContact O-N 2.93Å | ||
| 939 | I | 65.6 | Low | 61.4 | Low | 90 Ų | 90 | 57.7 Ų | 57.7 | 46% | 0.462 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59 | -33.9 | 171.6 | -63.8 | 174.7 | 0 | 0 | 0 | 110.4 | W935 L942 R943 | W935-I939 VanDerWaalsContact O-CG1 3.26Å; W935-I939 WeakPolarHBondContact O-CG1 3.4Å; I939-L942 WeakPolarHBondContact O-CB 3.48Å; I939-L942 PolarHBondContact O-N 2.87Å; I939-R943 HydrophobicContact CG2-CG 4.46Å; I939-R943 WeakPolarHBondContact O-CB 3.43Å; I939-R943 WeakPolarHBondContact O-CG 3.13Å; I939-R943 PolarHBondContact O-N 2.86Å |
| 940 | D | 62.8 | Low | 60.5 | Low | 111 Ų | 111 | 63.2 Ų | 63.2 | 59% | 0.594 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.3 | -41.2 | 173.9 | -72.4 | -21.5 | 0 | 0 | 0 | 112 | D938 R943 K944 | D938-D940 PolarHBondContact O-N 3.25Å; D940-R943 PolarHBondContact O-N 2.76Å; D940-K944 WeakPolarHBondContact O-CB 3.19Å; D940-K944 WeakPolarHBondContact O-CG 3.38Å; D940-K944 PolarHBondContact O-N 2.76Å |
| 941 | L | 66.1 | Low | 59 | Low | 56 Ų | 56 | 73.7 Ų | 73.7 | 29% | 0.293 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.6 | -35.7 | 177.2 | -172.4 | 57.2 | 0 | 0 | 0 | 111.5 | L934 D938 K944 L945 | L934-L941 HydrophobicContact CD2-CB 4.42Å; L934-L941 HydrophobicContact CD2-CD2 3.84Å; L934-L941 HydrophobicContact CD2-CG 4.1Å; D938-L941 HydrophobicContact CB-CB 3.47Å; D938-L941 VanDerWaalsContact CB-CB 3.47Å; D938-L941 HydrophobicContact CB-CD2 4.48Å; D938-L941 PolarHBondContact O-N 2.99Å; D938-L941 VanDerWaalsContact O-N 3.08Å; L941-K944 PolarHBondContact O-N 2.96Å; L941-L945 HydrophobicContact CD1-CD1 4.04Å; L941-L945 HydrophobicContact CD1-CG 4.14Å; L941-L945 HydrophobicContact CG-CD1 3.8Å; L941-L945 HydrophobicContact CG-CG 4.37Å; L941-L945 WeakPolarHBondContact O-CB 3.4Å; L941-L945 WeakPolarHBondContact O-CD1 3.41Å; L941-L945 VanDerWaalsContact O-CG 3.25Å; L941-L945 WeakPolarHBondContact O-CG 3.39Å; L941-L945 PolarHBondContact O-N 2.79Å |
| 942 | L | 66 | Low | 57.5 | Low | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.5 | -52.9 | 170 | 176.8 | 64.4 | 0 | 0 | 0 | 111.4 | F930 L934 W935 D938 I939 K944 L945 C946 I1009 | F930-L942 HydrophobicContact CB-CD1 3.72Å; L934-L942 HydrophobicContact CB-CB 3.92Å; L934-L942 HydrophobicContact CB-CD1 4.37Å; L934-L942 HydrophobicContact CD1-CB 4.46Å; L934-L942 HydrophobicContact CD1-CD1 4.31Å; W935-L942 HydrophobicContact CD2-CD2 4.48Å; W935-L942 HydrophobicContact CE3-CD2 3.59Å; W935-L942 HydrophobicContact CZ3-CD2 4.2Å; D938-L942 PolarHBondContact O-N 2.93Å; I939-L942 WeakPolarHBondContact O-CB 3.48Å; I939-L942 PolarHBondContact O-N 2.87Å; L942-K944 VanDerWaalsContact C-N 3.26Å; L942-K944 PolarHBondContact O-N 3.26Å; L942-L945 PolarHBondContact O-N 3.22Å; L942-C946 WeakPolarHBondContact O-CB 3.15Å; L942-C946 PolarHBondContact O-N 3.26Å; L942-C946 PolarHBondContact O-SG 2.89Å; L942-C946 VanDerWaalsContact O-SG 3.41Å; L942-I1009 HydrophobicContact CD1-CG2 4.21Å; L942-I1009 HydrophobicContact CD2-CG2 4.09Å; L942-I1009 HydrophobicContact CG-CG2 4.18Å |
| 943 | R | 64.3 | Low | 56.2 | Low | 61 Ų | 61 | 78.1 Ų | 78.1 | 23% | 0.23 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -55.5 | -43.4 | 176.9 | -73.8 | 174.1 | 174.5 | -122.6 | -11.9 | 111.3 | I939 D940 C946 C947 D1011 | I939-R943 HydrophobicContact CG2-CG 4.46Å; I939-R943 WeakPolarHBondContact O-CB 3.43Å; I939-R943 WeakPolarHBondContact O-CG 3.13Å; I939-R943 PolarHBondContact O-N 2.86Å; D940-R943 PolarHBondContact O-N 2.76Å; R943-C946 PolarHBondContact O-N 2.78Å; R943-C947 PolarHBondContact O-N 3.43Å; R943-D1011 VanDerWaalsContact CZ-CB 3.42Å; R943-D1011 IonicContact CZ-OD2 2.69Å; R943-D1011 VanDerWaalsContact NH1-CB 3.31Å; R943-D1011 IonicContact NH1-OD2 2.62Å; R943-D1011 PolarHBondContact NH1-OD2 3.09Å; R943-D1011 IonicContact NH2-OD2 3.85Å; R943-D1011 PolarHBondContact NH2-OD2 3.08Å |
| 944 | K | 65.9 | Low | 54.8 | Low | 91 Ų | 91 | 80.5 Ų | 80.5 | 40% | 0.396 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.3 | -46.5 | -179.6 | -71.2 | 178.2 | 179.5 | -165.1 | 0 | 114 | D940 L941 L942 C946 C947 E948 M977 | D940-K944 WeakPolarHBondContact O-CB 3.19Å; D940-K944 WeakPolarHBondContact O-CG 3.38Å; D940-K944 PolarHBondContact O-N 2.76Å; L941-K944 PolarHBondContact O-N 2.96Å; L942-K944 VanDerWaalsContact C-N 3.26Å; L942-K944 PolarHBondContact O-N 3.26Å; K944-C946 VanDerWaalsContact C-N 3.26Å; K944-C946 PolarHBondContact O-N 2.84Å; K944-C947 PolarHBondContact O-N 3.39Å; K944-E948 HydrophobicContact CB-CB 4.07Å; K944-E948 WeakPolarHBondContact CD-OE2 3.39Å; K944-E948 WeakPolarHBondContact CE-OE1 3.24Å; K944-E948 HydrophobicContact CG-CB 4.01Å; K944-E948 HydrophobicContact CG-CG 4.37Å; K944-E948 WeakPolarHBondContact CG-OE2 3.16Å; K944-E948 IonicContact NZ-OE1 3.84Å; K944-E948 PolarHBondContact O-N 2.82Å; K944-M977 WeakPolarHBondContact O-CE 3.38Å |
| 945 | L | 65.4 | Low | 53.4 | Low | 2 Ų | 2 | 85 Ų | 85 | 1% | 0.01 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -67.7 | -26.9 | 178.6 | -68.8 | 165.5 | 0 | 0 | 0 | 112.6 | W911 I912 V915 F930 L934 L941 L942 M977 F978 | W911-L945 HydrophobicContact CB-CD1 3.54Å; W911-L945 HydrophobicContact CB-CD2 4Å; W911-L945 HydrophobicContact CB-CG 4.46Å; W911-L945 HydrophobicContact CG-CD1 3.96Å; I912-L945 HydrophobicContact CG1-CD2 4.31Å; V915-L945 HydrophobicContact CG2-CD2 3.82Å; F930-L945 HydrophobicContact CE1-CD1 4.43Å; F930-L945 HydrophobicContact CZ-CB 4.42Å; L934-L945 HydrophobicContact CD1-CD1 3.55Å; L941-L945 HydrophobicContact CD1-CD1 4.04Å; L941-L945 HydrophobicContact CD1-CG 4.14Å; L941-L945 HydrophobicContact CG-CD1 3.8Å; L941-L945 HydrophobicContact CG-CG 4.37Å; L941-L945 WeakPolarHBondContact O-CB 3.4Å; L941-L945 WeakPolarHBondContact O-CD1 3.41Å; L941-L945 VanDerWaalsContact O-CG 3.25Å; L941-L945 WeakPolarHBondContact O-CG 3.39Å; L941-L945 PolarHBondContact O-N 2.79Å; L942-L945 PolarHBondContact O-N 3.22Å; L945-M977 HydrophobicContact CD2-SD 4.11Å; L945-F978 WeakPolarHBondContact O-CB 3.12Å; L945-F978 PolarHBondContact O-N 2.81Å |
| 946 | C | 63.4 | Low | 51.9 | Low | 0 Ų | 0 | 84.5 Ų | 84.5 | 0% | 0 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -73.7 | -51.4 | 171.1 | -74 | 0 | 0 | 0 | 0 | 112.7 | L942 R943 K944 A979 | L942-C946 WeakPolarHBondContact O-CB 3.15Å; L942-C946 PolarHBondContact O-N 3.26Å; L942-C946 PolarHBondContact O-SG 2.89Å; L942-C946 VanDerWaalsContact O-SG 3.41Å; R943-C946 PolarHBondContact O-N 2.78Å; K944-C946 VanDerWaalsContact C-N 3.26Å; K944-C946 PolarHBondContact O-N 2.84Å; C946-A979 VanDerWaalsContact O-CB 3.28Å; C946-A979 WeakPolarHBondContact O-CB 3.32Å; C946-A979 PolarHBondContact O-N 2.79Å |
| 947 | C | 60.5 | Low | 50.6 | Low | 11 Ų | 11 | 86.4 Ų | 86.4 | 7% | 0.074 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -133.8 | -16.4 | -159.5 | -63.9 | 0 | 0 | 0 | 0 | 118.4 | R943 K944 S949 C1006 D1012 | R943-C947 PolarHBondContact O-N 3.43Å; K944-C947 PolarHBondContact O-N 3.39Å; C947-S949 PolarHBondContact O-N 2.77Å; C947-C1006 PolarHBondContact SG-O 2.81Å; C947-D1012 HydrophobicContact CB-CB 3.64Å |
| 948 | E | 53.8 | Low | 49.2 | Very low | 83 Ų | 83 | 85.5 Ų | 85.5 | 39% | 0.388 | 45% | 0.449 | S | S | . | . | trans | -64.6 | 108.4 | -163.6 | -172.8 | 173.8 | -119.1 | 0 | 0 | 113.2 | K944 I950 M977 | K944-E948 HydrophobicContact CB-CB 4.07Å; K944-E948 WeakPolarHBondContact CD-OE2 3.39Å; K944-E948 WeakPolarHBondContact CE-OE1 3.24Å; K944-E948 HydrophobicContact CG-CB 4.01Å; K944-E948 HydrophobicContact CG-CG 4.37Å; K944-E948 WeakPolarHBondContact CG-OE2 3.16Å; K944-E948 IonicContact NZ-OE1 3.84Å; K944-E948 PolarHBondContact O-N 2.82Å; E948-I950 HydrophobicContact CG-CG1 4.2Å; E948-M977 HydrophobicContact CB-CE 4.3Å | ||
| 949 | S | 46 | Very low | 47.7 | Very low | 67 Ų | 67 | 87 Ų | 87 | 47% | 0.469 | 46% | 0.461 | S | S | . | . | trans | -106.4 | 101.9 | 177 | 62.9 | 0 | 0 | 0 | 0 | 110.7 | C947 W951 | C947-S949 PolarHBondContact O-N 2.77Å; S949-W951 VanDerWaalsContact C-N 3.29Å; S949-W951 PolarHBondContact O-N 3.49Å | ||
| 950 | I | 43.4 | Very low | 46.3 | Very low | 122 Ų | 122 | 93.1 Ų | 93.1 | 63% | 0.626 | 48% | 0.48 | S | S | * | . | trans | -76.7 | 77 | -173.7 | -51.6 | 177.3 | 0 | 0 | 0 | 110.7 | E948 | E948-I950 HydrophobicContact CG-CG1 4.2Š| ||
| 951 | W | 32.6 | Very low | 44.5 | Very low | 220 Ų | 220 | 95 Ų | 95 | 83% | 0.833 | 49% | 0.49 | S | S | * | . | trans | -114.9 | -7.4 | 176.5 | -94 | 57.7 | 0 | 0 | 0 | 114.6 | S949 V953 | S949-W951 VanDerWaalsContact C-N 3.29Å; S949-W951 PolarHBondContact O-N 3.49Å; W951-V953 VanDerWaalsContact C-N 3.33Å; W951-V953 PolarHBondContact O-N 3.31Å | ||
| 952 | C | 29.8 | Very low | 42.8 | Very low | 97 Ų | 97 | 98.6 Ų | 98.6 | 66% | 0.655 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -76.4 | 1.3 | -172.8 | -75.9 | 0 | 0 | 0 | 0 | 117.3 | ||
| 953 | V | 32.4 | Very low | 41 | Very low | 98 Ų | 98 | 106.3 Ų | 106.3 | 59% | 0.594 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -105.3 | -29.4 | -174.7 | -175.5 | 0 | 0 | 0 | 0 | 113.9 | W951 V955 Y956 | W951-V953 VanDerWaalsContact C-N 3.33Å; W951-V953 PolarHBondContact O-N 3.31Å; V953-V955 PolarHBondContact O-N 2.76Å; V953-Y956 PolarHBondContact O-N 3Å |
| 954 | C | 29.4 | Very low | 39.2 | Very low | 110 Ų | 110 | 112.5 Ų | 112.5 | 74% | 0.743 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -77.1 | -20 | -166.2 | -70.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 955 | V | 33.1 | Very low | 37.5 | Very low | 98 Ų | 98 | 114.6 Ų | 114.6 | 59% | 0.594 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -84.5 | -25.1 | 179.1 | -177.9 | 0 | 0 | 0 | 0 | 111.8 | V953 M957 | V953-V955 PolarHBondContact O-N 2.76Å; V955-M957 VanDerWaalsContact C-N 3.34Å; V955-M957 PolarHBondContact O-N 2.93Å |
| 956 | Y | 31.3 | Very low | 35.6 | Very low | 129 Ų | 129 | 119.9 Ų | 119.9 | 51% | 0.506 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.6 | -9.9 | -169.2 | -123.2 | -78.4 | 0 | 0 | 0 | 115.4 | V953 L1112 | V953-Y956 PolarHBondContact O-N 3Å; Y956-L1112 HydrophobicContact CE2-CD1 3.93Å; Y956-L1112 WeakPolarHBondContact OH-CD1 3.06Å; Y956-L1112 WeakPolarHBondContact OH-CD2 2.99Å |
| 957 | M | 29.1 | Very low | 33.8 | Very low | 155 Ų | 155 | 127 Ų | 127 | 76% | 0.764 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | 16.1 | -174.4 | -70.1 | -69.3 | 164.5 | 0 | 0 | 113.9 | V955 | V955-M957 VanDerWaalsContact C-N 3.34Å; V955-M957 PolarHBondContact O-N 2.93Å |
| 958 | C | 30.3 | Very low | 32.2 | Very low | 107 Ų | 107 | 135 Ų | 135 | 72% | 0.723 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -111.7 | 10.9 | -175.7 | -71.8 | 0 | 0 | 0 | 0 | 115 | ||
| 959 | T | 31 | Very low | 30.9 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -135.2 | -1.8 | -176.4 | 50.9 | 0 | 0 | 0 | 0 | 115.7 | ||
| 960 | Y | 34.7 | Very low | 29.9 | Very low | 219 Ų | 219 | 139.5 Ų | 139.5 | 86% | 0.859 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -130.5 | 131.1 | 169.9 | -90.1 | -85.7 | 0 | 0 | 0 | 110.7 | ||
| 961 | D | 27.1 | Very low | 29.2 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | trans | -92.9 | 147 | -170.3 | -117.8 | -32.8 | 0 | 0 | 0 | 112.5 | ||||
| 962 | L | 28.5 | Very low | 28.8 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | trans | 71.6 | 117.3 | 159.7 | -84.3 | 71.9 | 0 | 0 | 0 | 121.7 | ||||
| 963 | F | 28.4 | Very low | 28.7 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 72% | 0.715 | 74% | 0.74 | S | S | * | * | trans | 98.4 | 119.9 | 135.5 | -83.3 | -130.1 | 0 | 0 | 0 | 121.7 | ||||
| 964 | F | 27.7 | Very low | 28.7 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | trans | 64.2 | 141.7 | 173.7 | -57 | -74.4 | 0 | 0 | 0 | 115.2 | ||||
| 965 | V | 29.6 | Very low | 28.9 | Very low | 135 Ų | 135 | 140.1 Ų | 140.1 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | cis | -129.6 | 153.7 | 18.8 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 966 | T | 24.9 | Very low | 29.3 | Very low | 114 Ų | 114 | 137 Ų | 137 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | trans | -84.8 | 139.6 | 172.4 | 49.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 967 | D | 25.1 | Very low | 30.7 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | trans | 161.8 | 16.2 | 143.1 | -82.1 | -2.1 | 0 | 0 | 0 | 115.5 | ||||
| 968 | I | 27.9 | Very low | 32.5 | Very low | 179 Ų | 179 | 124.9 Ų | 124.9 | 92% | 0.918 | 67% | 0.668 | S | S | * | * | trans | -100.3 | 98.9 | 170.5 | -57.7 | -177.8 | 0 | 0 | 0 | 110.3 | ||||
| 969 | V | 26.6 | Very low | 34.2 | Very low | 122 Ų | 122 | 119.9 Ų | 119.9 | 74% | 0.739 | 63% | 0.634 | S | S | * | * | trans | -104.8 | 116.5 | -176.4 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 970 | V | 25.6 | Very low | 36 | Very low | 123 Ų | 123 | 118.1 Ų | 118.1 | 75% | 0.745 | 62% | 0.617 | S | S | * | * | trans | 40.6 | 94.4 | 149.7 | -171.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 971 | Y | 27.5 | Very low | 37.6 | Very low | 204 Ų | 204 | 111.1 Ų | 111.1 | 80% | 0.8 | 59% | 0.589 | S | S | * | * | trans | -145.6 | 54.7 | 141.7 | -93.1 | -68.1 | 0 | 0 | 0 | 111 | N973 | Y971-N973 VanDerWaalsContact C-N 3.32Å; Y971-N973 PolarHBondContact O-N 3.14Å | ||
| 972 | G | 25.4 | Very low | 39.6 | Very low | 72 Ų | 72 | 104 Ų | 104 | 74% | 0.742 | 55% | 0.55 | S | S | * | * | trans | -78.5 | 72.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 973 | N | 26 | Very low | 41.5 | Very low | 136 Ų | 136 | 98 Ų | 98 | 73% | 0.727 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -163.3 | 155.6 | 165.6 | -96.4 | -37.1 | 0 | 0 | 0 | 112.5 | Y971 Y975 | Y971-N973 VanDerWaalsContact C-N 3.32Å; Y971-N973 PolarHBondContact O-N 3.14Å; N973-Y975 PolarHBondContact O-N 3.1Å |
| 974 | S | 33.2 | Very low | 43.4 | Very low | 104 Ų | 104 | 93.5 Ų | 93.5 | 73% | 0.727 | 50% | 0.503 | S | S | * | . | trans | 60.9 | 0.6 | 154.6 | 52.2 | 0 | 0 | 0 | 0 | 123.1 | A976 | S974-A976 PolarHBondContact O-N 3.24Š| ||
| 975 | Y | 34.2 | Very low | 45.1 | Very low | 144 Ų | 144 | 88.5 Ų | 88.5 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | trans | -69 | 94.7 | 170.6 | -66.5 | -62.7 | 0 | 0 | 0 | 112.7 | N973 | N973-Y975 PolarHBondContact O-N 3.1Š| ||
| 976 | A | 41.9 | Very low | 46.5 | Very low | 31 Ų | 31 | 83 Ų | 83 | 26% | 0.256 | 45% | 0.448 | S | S | . | . | trans | -127.7 | 86.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | S974 K980 R981 | S974-A976 PolarHBondContact O-N 3.24Å; A976-K980 HydrophobicContact CB-CB 4.33Å; A976-K980 HydrophobicContact CB-CD 3.95Å; A976-K980 HydrophobicContact CB-CG 4Å; A976-R981 WeakPolarHBondContact O-CG 3.32Å | ||
| 977 | M | 59.9 | Low | 47.9 | Very low | 31 Ų | 31 | 81.8 Ų | 81.8 | 15% | 0.153 | 44% | 0.438 | C | S | . | . | trans | -81.2 | 176.1 | -178.1 | -64.8 | -168.6 | -72.2 | 0 | 0 | 111.8 | K944 L945 E948 A979 K980 | K944-M977 WeakPolarHBondContact O-CE 3.38Å; L945-M977 HydrophobicContact CD2-SD 4.11Å; E948-M977 HydrophobicContact CB-CE 4.3Å; M977-A979 PolarHBondContact O-N 2.66Å; M977-A979 VanDerWaalsContact O-N 3.12Å; M977-K980 WeakPolarHBondContact O-CB 3.43Å; M977-K980 PolarHBondContact O-N 3.03Å | ||
| 978 | F | 66.8 | Low | 49.2 | Very low | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -58.1 | -44.8 | -132.1 | -170.1 | -121.2 | 0 | 0 | 0 | 116.1 | V915 L920 W923 I926 F930 L945 K980 R981 L982 | V915-F978 HydrophobicContact CG1-CB 3.84Å; V915-F978 HydrophobicContact CG1-CD2 3.98Å; V915-F978 HydrophobicContact CG1-CG 4.36Å; L920-F978 HydrophobicContact CD2-CE2 4.08Å; W923-F978 HydrophobicContact CB-CE1 4.32Å; W923-F978 HydrophobicContact CB-CZ 3.76Å; I926-F978 HydrophobicContact CD1-CE2 4.49Å; I926-F978 HydrophobicContact CG2-CE1 4.09Å; I926-F978 HydrophobicContact CG2-CE2 3.77Å; I926-F978 HydrophobicContact CG2-CZ 3.39Å; F930-F978 HydrophobicContact CE2-CB 4.28Å; F930-F978 HydrophobicContact CE2-CD1 4.1Å; F930-F978 HydrophobicContact CE2-CG 4.16Å; L945-F978 WeakPolarHBondContact O-CB 3.12Å; L945-F978 PolarHBondContact O-N 2.81Å; F978-K980 PolarHBondContact O-N 3.42Å; F978-R981 PolarHBondContact O-N 2.86Å; F978-R981 VanDerWaalsContact O-N 3.11Å; F978-L982 HydrophobicContact CD1-CD1 4.08Å; F978-L982 HydrophobicContact CE1-CD1 3.77Å; F978-L982 HydrophobicContact CE1-CG 4.48Å; F978-L982 HydrophobicContact CZ-CD1 4.17Å; F978-L982 HydrophobicContact CZ-CD2 4.39Å; F978-L982 HydrophobicContact CZ-CG 4.44Å; F978-L982 PolarHBondContact O-N 3.04Å |
| 979 | A | 66 | Low | 50.1 | Low | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.008 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -57.4 | -34.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C946 M977 L982 L983 C1006 Y1015 | C946-A979 VanDerWaalsContact O-CB 3.28Å; C946-A979 WeakPolarHBondContact O-CB 3.32Å; C946-A979 PolarHBondContact O-N 2.79Å; M977-A979 PolarHBondContact O-N 2.66Å; M977-A979 VanDerWaalsContact O-N 3.12Å; A979-L982 PolarHBondContact O-N 3.29Å; A979-L983 PolarHBondContact O-N 3.48Å; A979-L983 VanDerWaalsContact O-N 3.11Å; A979-C1006 HydrophobicContact CB-CB 3.84Å; A979-Y1015 HydrophobicContact CB-CD1 4.01Å; A979-Y1015 HydrophobicContact CB-CE1 4.09Å |
| 980 | K | 68.1 | Low | 50.9 | Low | 81 Ų | 81 | 76.7 Ų | 76.7 | 35% | 0.352 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.7 | -36.2 | 178.8 | -177.7 | 158.2 | -175.4 | 166.2 | 0 | 113 | A976 M977 F978 L982 L983 D984 Y1015 | A976-K980 HydrophobicContact CB-CB 4.33Å; A976-K980 HydrophobicContact CB-CD 3.95Å; A976-K980 HydrophobicContact CB-CG 4Å; M977-K980 WeakPolarHBondContact O-CB 3.43Å; M977-K980 PolarHBondContact O-N 3.03Å; F978-K980 PolarHBondContact O-N 3.42Å; K980-L982 VanDerWaalsContact C-N 3.28Å; K980-L982 PolarHBondContact O-N 2.81Å; K980-L983 PolarHBondContact O-N 2.99Å; K980-D984 WeakPolarHBondContact CE-OD2 3.41Å; K980-D984 WeakPolarHBondContact CG-OD2 3.37Å; K980-D984 WeakPolarHBondContact O-CB 3.4Å; K980-D984 PolarHBondContact O-N 3.2Å; K980-Y1015 WeakPolarHBondContact CA-OH 3.34Å; K980-Y1015 HydrophobicContact CB-CE1 4.32Å; K980-Y1015 WeakPolarHBondContact CB-OH 3.23Å; K980-Y1015 WeakPolarHBondContact CG-OH 3.24Å |
| 981 | R | 68.5 | Low | 51.4 | Low | 71 Ų | 71 | 73.1 Ų | 73.1 | 27% | 0.268 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.3 | -32.1 | 176.7 | -55.8 | -168.6 | 76.1 | -159.1 | 12.8 | 112.3 | V915 E916 L920 A976 F978 H985 | V915-R981 PolarHBondContact O-NH1 3.17Å; E916-R981 PolarHBondContact O-NH1 3.06Å; E916-R981 PolarHBondContact O-NH2 3.47Å; L920-R981 HydrophobicContact CD1-CB 4.36Å; L920-R981 HydrophobicContact CD2-CB 4Å; A976-R981 WeakPolarHBondContact O-CG 3.32Å; F978-R981 PolarHBondContact O-N 2.86Å; F978-R981 VanDerWaalsContact O-N 3.11Å; R981-H985 PolarHBondContact O-CD2 2.66Å; R981-H985 PolarHBondContact O-N 2.9Å |
| 982 | L | 69.5 | Low | 52 | Low | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.7 | -45 | 172.9 | -63.8 | 168.1 | 0 | 0 | 0 | 110.7 | L920 W923 F978 A979 K980 H985 F999 A1002 A1003 | L920-L982 HydrophobicContact CD2-CD2 4.2Å; W923-L982 HydrophobicContact CB-CD2 4Å; W923-L982 HydrophobicContact CG-CD2 4.43Å; F978-L982 HydrophobicContact CD1-CD1 4.08Å; F978-L982 HydrophobicContact CE1-CD1 3.77Å; F978-L982 HydrophobicContact CE1-CG 4.48Å; F978-L982 HydrophobicContact CZ-CD1 4.17Å; F978-L982 HydrophobicContact CZ-CD2 4.39Å; F978-L982 HydrophobicContact CZ-CG 4.44Å; F978-L982 PolarHBondContact O-N 3.04Å; A979-L982 PolarHBondContact O-N 3.29Å; K980-L982 VanDerWaalsContact C-N 3.28Å; K980-L982 PolarHBondContact O-N 2.81Å; L982-H985 PolarHBondContact O-N 2.83Å; L982-F999 HydrophobicContact CD2-CD1 3.98Å; L982-A1002 HydrophobicContact CD1-CB 3.88Å; L982-A1002 HydrophobicContact CD2-CB 4.41Å; L982-A1003 HydrophobicContact CB-CB 4.1Å |
| 983 | L | 69.5 | Low | 52.9 | Low | 7 Ų | 7 | 72.6 Ų | 72.6 | 4% | 0.037 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -72 | -39.9 | 179.6 | -164.8 | 70.3 | 0 | 0 | 0 | 113.5 | A979 K980 H985 T986 N987 Y1015 C1019 H1022 | A979-L983 PolarHBondContact O-N 3.48Å; A979-L983 VanDerWaalsContact O-N 3.11Å; K980-L983 PolarHBondContact O-N 2.99Å; L983-H985 PolarHBondContact O-N 3.18Å; L983-T986 PolarHBondContact O-N 2.89Å; L983-T986 VanDerWaalsContact O-N 3.08Å; L983-T986 PolarHBondContact O-OG1 3.34Å; L983-N987 PolarHBondContact O-ND2 3.47Å; L983-Y1015 HydrophobicContact CD2-CE1 4.16Å; L983-C1019 HydrophobicContact CD1-CB 4.5Å; L983-H1022 HydrophobicContact CD1-CB 4.18Å |
| 984 | D | 67.9 | Low | 54 | Low | 69 Ų | 69 | 73 Ų | 73 | 37% | 0.369 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.2 | -23.4 | 177.4 | -76.3 | -23.8 | 0 | 0 | 0 | 111.9 | K980 N988 | K980-D984 WeakPolarHBondContact CE-OD2 3.41Å; K980-D984 WeakPolarHBondContact CG-OD2 3.37Å; K980-D984 WeakPolarHBondContact O-CB 3.4Å; K980-D984 PolarHBondContact O-N 3.2Å; D984-N988 PolarHBondContact O-ND2 3.22Å |
| 985 | H | 62.3 | Low | 54.9 | Low | 86 Ų | 86 | 70.8 Ų | 70.8 | 40% | 0.398 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -76.4 | -29.4 | 172.4 | -97.9 | -90.3 | 0 | 0 | 0 | 114.2 | L920 R981 L982 L983 N987 N988 | L920-H985 WeakPolarHBondContact CD1-CD2 3.49Å; R981-H985 PolarHBondContact O-CD2 2.66Å; R981-H985 PolarHBondContact O-N 2.9Å; L982-H985 PolarHBondContact O-N 2.83Å; L983-H985 PolarHBondContact O-N 3.18Å; H985-N987 PolarHBondContact O-N 2.86Å; H985-N988 PolarHBondContact O-N 3.16Å |
| 986 | T | 59.4 | Low | 56 | Low | 18 Ų | 18 | 65.8 Ų | 65.8 | 11% | 0.11 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.9 | -22.7 | 175.9 | 69.8 | 0 | 0 | 0 | 0 | 112.5 | L983 S996 F999 H1022 | L983-T986 PolarHBondContact O-N 2.89Å; L983-T986 VanDerWaalsContact O-N 3.08Å; L983-T986 PolarHBondContact O-OG1 3.34Å; T986-S996 WeakPolarHBondContact CG2-O 3.49Å; T986-F999 HydrophobicContact CG2-CB 3.83Å; T986-H1022 PolarHBondContact OG1-CE1 3.2Å; T986-H1022 PolarHBondContact OG1-ND1 2.76Å |
| 987 | N | 55 | Low | 56.7 | Low | 90 Ų | 90 | 67.3 Ų | 67.3 | 48% | 0.481 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -20 | 177.2 | -74.9 | -67.8 | 0 | 0 | 0 | 114.6 | L983 H985 H1022 | L983-N987 PolarHBondContact O-ND2 3.47Å; H985-N987 PolarHBondContact O-N 2.86Å; N987-H1022 PolarHBondContact ND2-NE2 2.9Å; N987-H1022 PolarHBondContact OD1-NE2 2.91Å |
| 988 | N | 52.9 | Low | 56.7 | Low | 113 Ų | 113 | 70.5 Ų | 70.5 | 60% | 0.604 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -31.2 | -173.3 | -76.3 | -71.5 | 0 | 0 | 0 | 113.3 | D984 H985 N990 | D984-N988 PolarHBondContact O-ND2 3.22Å; H985-N988 PolarHBondContact O-N 3.16Å; N988-N990 PolarHBondContact O-N 3.46Å; N988-N990 PolarHBondContact O-ND2 2.88Å |
| 989 | D | 46.2 | Very low | 56.7 | Low | 69 Ų | 69 | 72 Ų | 72 | 37% | 0.369 | 38% | 0.376 | S | S | . | . | trans | -77.3 | 84.1 | -178.1 | -80.1 | -7 | 0 | 0 | 0 | 112.1 | S991 | D989-S991 PolarHBondContact O-N 3.45Š| ||
| 990 | N | 43.4 | Very low | 56.5 | Low | 161 Ų | 161 | 72 Ų | 72 | 86% | 0.861 | 38% | 0.376 | S | S | * | . | trans | -70.6 | 41.5 | 171.2 | -78.1 | -89.6 | 0 | 0 | 0 | 113 | N988 | N988-N990 PolarHBondContact O-N 3.46Å; N988-N990 PolarHBondContact O-ND2 2.88Å | ||
| 991 | S | 36.5 | Very low | 56.2 | Low | 48 Ų | 48 | 70.5 Ų | 70.5 | 34% | 0.336 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -139.4 | 132.5 | -179.2 | 68.4 | 0 | 0 | 0 | 0 | 110.8 | D989 N993 | D989-S991 PolarHBondContact O-N 3.45Å; S991-N993 PolarHBondContact O-N 2.93Å; S991-N993 PolarHBondContact OG-ND2 3.27Å |
| 992 | N | 40.3 | Very low | 55.9 | Low | 173 Ų | 173 | 67.1 Ų | 67.1 | 93% | 0.925 | 36% | 0.358 | S | S | * | . | trans | -75.3 | 60.7 | -173.1 | -62.6 | -5.9 | 0 | 0 | 0 | 112.5 | ||||
| 993 | N | 43.6 | Very low | 55.7 | Low | 92 Ų | 92 | 67.1 Ų | 67.1 | 49% | 0.492 | 36% | 0.358 | S | S | . | . | trans | -112.4 | 146.2 | -177.3 | -67.8 | -44.7 | 0 | 0 | 0 | 110.8 | S991 T995 S996 | S991-N993 PolarHBondContact O-N 2.93Å; S991-N993 PolarHBondContact OG-ND2 3.27Å; N993-T995 PolarHBondContact O-N 3.39Å; N993-S996 PolarHBondContact O-N 2.92Å; N993-S996 PolarHBondContact O-OG 3.45Å | ||
| 994 | N | 49.9 | Very low | 55.4 | Low | 143 Ų | 143 | 67.2 Ų | 67.2 | 77% | 0.765 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -17.4 | -174.9 | -62.1 | -5.5 | 0 | 0 | 0 | 114.8 | S996 F997 E998 | N994-S996 PolarHBondContact O-N 2.87Å; N994-F997 PolarHBondContact O-N 2.92Å; N994-E998 PolarHBondContact O-N 3.46Å |
| 995 | T | 51.5 | Low | 55 | Low | 58 Ų | 58 | 66.5 Ų | 66.5 | 36% | 0.356 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.5 | -38.8 | -179.3 | 46.7 | 0 | 0 | 0 | 0 | 113.3 | N993 F997 E998 F999 | N993-T995 PolarHBondContact O-N 3.39Å; T995-F997 VanDerWaalsContact C-N 3.3Å; T995-F997 PolarHBondContact O-N 2.59Å; T995-E998 PolarHBondContact O-N 3.2Å; T995-F999 WeakPolarHBondContact O-CD2 3.48Å; T995-F999 WeakPolarHBondContact O-CG 3.5Å; T995-F999 PolarHBondContact O-N 3.28Å |
| 996 | S | 57.4 | Low | 55.1 | Low | 40 Ų | 40 | 62.4 Ų | 62.4 | 28% | 0.28 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.4 | -35.2 | 179 | 59.1 | 0 | 0 | 0 | 0 | 112.1 | T986 N993 N994 G1000 | T986-S996 WeakPolarHBondContact CG2-O 3.49Å; N993-S996 PolarHBondContact O-N 2.92Å; N993-S996 PolarHBondContact O-OG 3.45Å; N994-S996 PolarHBondContact O-N 2.87Å; S996-G1000 PolarHBondContact O-N 3.29Å |
| 997 | F | 55.3 | Low | 55.3 | Low | 62 Ų | 62 | 61.6 Ų | 61.6 | 27% | 0.272 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -73.3 | -37.8 | 174.8 | -165.8 | -101.7 | 0 | 0 | 0 | 112 | Y689 N994 T995 G1000 L1001 L1023 | Y689-F997 HydrophobicContact CE2-CE2 4.42Å; Y689-F997 HydrophobicContact CE2-CZ 4.26Å; N994-F997 PolarHBondContact O-N 2.92Å; T995-F997 VanDerWaalsContact C-N 3.3Å; T995-F997 PolarHBondContact O-N 2.59Å; F997-G1000 PolarHBondContact O-N 2.92Å; F997-L1001 HydrophobicContact CD1-CD1 3.8Å; F997-L1001 HydrophobicContact CD1-CG 4.22Å; F997-L1001 HydrophobicContact CE1-CD1 3.51Å; F997-L1001 HydrophobicContact CE1-CD2 4.49Å; F997-L1001 HydrophobicContact CE1-CG 3.98Å; F997-L1001 HydrophobicContact CZ-CD1 4.32Å; F997-L1001 HydrophobicContact CZ-CG 4.4Å; F997-L1001 WeakPolarHBondContact O-CB 3.47Å; F997-L1001 WeakPolarHBondContact O-CG 3.25Å; F997-L1001 PolarHBondContact O-N 2.83Å; F997-L1023 HydrophobicContact CD2-CD2 4.02Å; F997-L1023 HydrophobicContact CE2-CD2 4.26Å |
| 998 | E | 61.6 | Low | 55.5 | Low | 99 Ų | 99 | 59.7 Ų | 59.7 | 46% | 0.463 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 171.7 | -74.9 | -158.7 | 131.1 | 0 | 0 | 112.4 | N994 T995 L1001 A1002 | N994-E998 PolarHBondContact O-N 3.46Å; T995-E998 PolarHBondContact O-N 3.2Å; E998-L1001 PolarHBondContact O-N 2.89Å; E998-A1002 VanDerWaalsContact O-CB 3.32Å; E998-A1002 WeakPolarHBondContact O-CB 3.49Å; E998-A1002 PolarHBondContact O-N 2.72Å |
| 999 | F | 65.1 | Low | 55.8 | Low | 32 Ų | 32 | 56.1 Ų | 56.1 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.7 | -38.9 | 177.4 | -67.9 | -51.1 | 0 | 0 | 0 | 112.5 | L982 T986 T995 A1002 A1003 | L982-F999 HydrophobicContact CD2-CD1 3.98Å; T986-F999 HydrophobicContact CG2-CB 3.83Å; T995-F999 WeakPolarHBondContact O-CD2 3.48Å; T995-F999 WeakPolarHBondContact O-CG 3.5Å; T995-F999 PolarHBondContact O-N 3.28Å; F999-A1002 PolarHBondContact O-N 2.75Å; F999-A1003 PolarHBondContact O-N 2.98Å |
| 1000 | G | 62.7 | Low | 56.4 | Low | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | S996 F997 A1003 C1004 | S996-G1000 PolarHBondContact O-N 3.29Å; F997-G1000 PolarHBondContact O-N 2.92Å; G1000-A1003 PolarHBondContact O-N 3.38Å; G1000-C1004 PolarHBondContact O-N 2.8Å; G1000-C1004 PolarHBondContact O-SG 3.25Å; G1000-C1004 VanDerWaalsContact O-SG 3.4Å |
| 1001 | L | 61.8 | Low | 57.2 | Low | 49 Ų | 49 | 47.1 Ų | 47.1 | 26% | 0.257 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 171 | -76.7 | 178.8 | 0 | 0 | 0 | 112.2 | F692 F997 E998 A1003 C1004 I1005 | F692-L1001 HydrophobicContact CD2-CD2 4.44Å; F997-L1001 HydrophobicContact CD1-CD1 3.8Å; F997-L1001 HydrophobicContact CD1-CG 4.22Å; F997-L1001 HydrophobicContact CE1-CD1 3.51Å; F997-L1001 HydrophobicContact CE1-CD2 4.49Å; F997-L1001 HydrophobicContact CE1-CG 3.98Å; F997-L1001 HydrophobicContact CZ-CD1 4.32Å; F997-L1001 HydrophobicContact CZ-CG 4.4Å; F997-L1001 WeakPolarHBondContact O-CB 3.47Å; F997-L1001 WeakPolarHBondContact O-CG 3.25Å; F997-L1001 PolarHBondContact O-N 2.83Å; E998-L1001 PolarHBondContact O-N 2.89Å; L1001-A1003 VanDerWaalsContact C-N 3.32Å; L1001-A1003 PolarHBondContact O-N 3.03Å; L1001-C1004 PolarHBondContact O-N 3.14Å; L1001-I1005 WeakPolarHBondContact O-CG1 3.22Å; L1001-I1005 PolarHBondContact O-N 2.92Å |
| 1002 | A | 62.3 | Low | 58.4 | Low | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.1 | -39.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | W923 L982 E998 F999 I1005 C1006 | W923-A1002 HydrophobicContact CD2-CB 3.65Å; W923-A1002 HydrophobicContact CE3-CB 3.86Å; W923-A1002 HydrophobicContact CG-CB 4.23Å; W923-A1002 HydrophobicContact CH2-CB 3.92Å; W923-A1002 HydrophobicContact CZ2-CB 3.7Å; W923-A1002 HydrophobicContact CZ3-CB 4Å; L982-A1002 HydrophobicContact CD1-CB 3.88Å; L982-A1002 HydrophobicContact CD2-CB 4.41Å; E998-A1002 VanDerWaalsContact O-CB 3.32Å; E998-A1002 WeakPolarHBondContact O-CB 3.49Å; E998-A1002 PolarHBondContact O-N 2.72Å; F999-A1002 PolarHBondContact O-N 2.75Å; A1002-I1005 PolarHBondContact O-N 3.11Å; A1002-C1006 PolarHBondContact O-N 3.15Å; A1002-C1006 PolarHBondContact O-SG 3.11Å |
| 1003 | A | 65.7 | Low | 59.5 | Low | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.4 | -47.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L982 F999 G1000 L1001 I1005 C1006 C1007 | L982-A1003 HydrophobicContact CB-CB 4.1Å; F999-A1003 PolarHBondContact O-N 2.98Å; G1000-A1003 PolarHBondContact O-N 3.38Å; L1001-A1003 VanDerWaalsContact C-N 3.32Å; L1001-A1003 PolarHBondContact O-N 3.03Å; A1003-I1005 VanDerWaalsContact C-N 3.34Å; A1003-I1005 PolarHBondContact O-N 2.93Å; A1003-C1006 WeakPolarHBondContact O-CB 3.41Å; A1003-C1006 PolarHBondContact O-N 3.47Å; A1003-C1006 VanDerWaalsContact O-N 3.13Å; A1003-C1007 PolarHBondContact O-N 2.87Å; A1003-C1007 PolarHBondContact O-SG 3.05Å |
| 1004 | C | 62.2 | Low | 60.5 | Low | 9 Ų | 9 | 35.5 Ų | 35.5 | 6% | 0.061 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.5 | -41 | 174.7 | -70.5 | 0 | 0 | 0 | 0 | 113.1 | G1000 L1001 C1007 I1008 L1016 | G1000-C1004 PolarHBondContact O-N 2.8Å; G1000-C1004 PolarHBondContact O-SG 3.25Å; G1000-C1004 VanDerWaalsContact O-SG 3.4Å; L1001-C1004 PolarHBondContact O-N 3.14Å; C1004-C1007 WeakPolarHBondContact O-CB 3.28Å; C1004-C1007 PolarHBondContact O-N 3.31Å; C1004-I1008 WeakPolarHBondContact O-CG1 3.11Å; C1004-I1008 PolarHBondContact O-N 3.18Å; C1004-L1016 HydrophobicContact CB-CD1 4.06Å |
| 1005 | I | 60.8 | Low | 61.1 | Low | 54 Ų | 54 | 29.5 Ų | 29.5 | 28% | 0.277 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.3 | -42.7 | 175 | -70.5 | 162.3 | 0 | 0 | 0 | 110.7 | W923 L927 L1001 A1002 A1003 C1007 I1008 I1009 | W923-I1005 HydrophobicContact CH2-CD1 4.12Å; L927-I1005 HydrophobicContact CD2-CG2 3.85Å; L1001-I1005 WeakPolarHBondContact O-CG1 3.22Å; L1001-I1005 PolarHBondContact O-N 2.92Å; A1002-I1005 PolarHBondContact O-N 3.11Å; A1003-I1005 VanDerWaalsContact C-N 3.34Å; A1003-I1005 PolarHBondContact O-N 2.93Å; I1005-C1007 VanDerWaalsContact C-N 3.33Å; I1005-C1007 PolarHBondContact O-N 3.12Å; I1005-I1008 PolarHBondContact O-N 2.92Å; I1005-I1009 HydrophobicContact CG2-CD1 3.85Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.49Å; I1005-I1009 PolarHBondContact O-N 2.75Å |
| 1006 | C | 64.1 | Low | 61.8 | Low | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.6 | -36.2 | 175 | -62.3 | 0 | 0 | 0 | 0 | 112.1 | C947 A979 A1002 A1003 I1009 G1010 | C947-C1006 PolarHBondContact SG-O 2.81Å; A979-C1006 HydrophobicContact CB-CB 3.84Å; A1002-C1006 PolarHBondContact O-N 3.15Å; A1002-C1006 PolarHBondContact O-SG 3.11Å; A1003-C1006 WeakPolarHBondContact O-CB 3.41Å; A1003-C1006 PolarHBondContact O-N 3.47Å; A1003-C1006 VanDerWaalsContact O-N 3.13Å; C1006-I1009 PolarHBondContact O-N 2.79Å; C1006-G1010 PolarHBondContact O-N 2.99Å |
| 1007 | C | 63.9 | Low | 62.1 | Low | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.5 | -40.8 | 175.2 | -60.6 | 0 | 0 | 0 | 0 | 112.5 | A1003 C1004 I1005 G1010 D1011 D1012 L1016 | A1003-C1007 PolarHBondContact O-N 2.87Å; A1003-C1007 PolarHBondContact O-SG 3.05Å; C1004-C1007 WeakPolarHBondContact O-CB 3.28Å; C1004-C1007 PolarHBondContact O-N 3.31Å; I1005-C1007 VanDerWaalsContact C-N 3.33Å; I1005-C1007 PolarHBondContact O-N 3.12Å; C1007-G1010 PolarHBondContact O-N 2.89Å; C1007-D1011 PolarHBondContact O-N 3.21Å; C1007-D1012 PolarHBondContact O-N 3.39Å; C1007-L1016 HydrophobicContact CB-CB 3.87Å; C1007-L1016 HydrophobicContact CB-CD1 3.96Å; C1007-L1016 HydrophobicContact CB-CG 4.49Å |
| 1008 | I | 58.8 | Low | 62.6 | Low | 49 Ų | 49 | 25.9 Ų | 25.9 | 25% | 0.251 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -66.8 | -40.2 | 176.8 | -66.8 | 163.1 | 0 | 0 | 0 | 110.8 | C1004 I1005 L1016 | C1004-I1008 WeakPolarHBondContact O-CG1 3.11Å; C1004-I1008 PolarHBondContact O-N 3.18Å; I1005-I1008 PolarHBondContact O-N 2.92Å; I1008-L1016 HydrophobicContact CG1-CD1 4.46Å |
| 1009 | I | 59.5 | Low | 62.7 | Low | 38 Ų | 38 | 21.1 Ų | 21.1 | 20% | 0.195 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -71.2 | -32.8 | 176.4 | -68.1 | 166 | 0 | 0 | 0 | 111.7 | L927 L931 L942 I1005 C1006 | L927-I1009 HydrophobicContact CD1-CD1 3.87Å; L927-I1009 HydrophobicContact CD2-CD1 4Å; L927-I1009 HydrophobicContact CG-CD1 4.25Å; L931-I1009 HydrophobicContact CD2-CD1 4.44Å; L931-I1009 HydrophobicContact CD2-CG2 4.28Å; L942-I1009 HydrophobicContact CD1-CG2 4.21Å; L942-I1009 HydrophobicContact CD2-CG2 4.09Å; L942-I1009 HydrophobicContact CG-CG2 4.18Å; I1005-I1009 HydrophobicContact CG2-CD1 3.85Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.49Å; I1005-I1009 PolarHBondContact O-N 2.75Å; C1006-I1009 PolarHBondContact O-N 2.79Å |
| 1010 | G | 57.9 | Low | 62.6 | Low | 8 Ų | 8 | 20.1 Ų | 20.1 | 8% | 0.082 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -86 | -4.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | C1006 C1007 D1012 | C1006-G1010 PolarHBondContact O-N 2.99Å; C1007-G1010 PolarHBondContact O-N 2.89Å; G1010-D1012 VanDerWaalsContact C-N 3.25Å; G1010-D1012 PolarHBondContact O-N 2.84Å |
| 1011 | D | 60 | Low | 62.8 | Low | 33 Ų | 33 | 21.3 Ų | 21.3 | 18% | 0.176 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 30.7 | -179.6 | -151.6 | 24.6 | 0 | 0 | 0 | 114.1 | R943 C1007 F1048 | R943-D1011 VanDerWaalsContact CZ-CB 3.42Å; R943-D1011 IonicContact CZ-OD2 2.69Å; R943-D1011 VanDerWaalsContact NH1-CB 3.31Å; R943-D1011 IonicContact NH1-OD2 2.62Å; R943-D1011 PolarHBondContact NH1-OD2 3.09Å; R943-D1011 IonicContact NH2-OD2 3.85Å; R943-D1011 PolarHBondContact NH2-OD2 3.08Å; C1007-D1011 PolarHBondContact O-N 3.21Å; D1011-F1048 WeakPolarHBondContact OD1-CE2 3.21Å |
| 1012 | D | 62.3 | Low | 62.9 | Low | 32 Ų | 32 | 22.3 Ų | 22.3 | 17% | 0.171 | 11% | 0.114 | C | C | . | . | trans | -102.2 | 100.3 | -178.6 | -171.2 | -25.4 | 0 | 0 | 0 | 111.1 | C947 C1007 G1010 D1014 Y1015 L1016 | C947-D1012 HydrophobicContact CB-CB 3.64Å; C1007-D1012 PolarHBondContact O-N 3.39Å; G1010-D1012 VanDerWaalsContact C-N 3.25Å; G1010-D1012 PolarHBondContact O-N 2.84Å; D1012-D1014 WeakPolarHBondContact OD1-CA 3.26Å; D1012-D1014 PolarHBondContact OD1-N 2.81Å; D1012-Y1015 PolarHBondContact OD1-N 3.5Å; D1012-L1016 WeakPolarHBondContact O-CB 3.47Å; D1012-L1016 PolarHBondContact O-N 3.2Å; D1012-L1016 VanDerWaalsContact O-N 3.15Å | ||
| 1013 | L | 63.8 | Low | 62.8 | Low | 10 Ų | 10 | 24.4 Ų | 24.4 | 5% | 0.052 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -69.2 | -33.2 | 176.9 | -175.1 | 61.4 | 0 | 0 | 0 | 112.6 | L1016 T1017 L1045 F1048 Y1061 L1069 | L1013-L1016 HydrophobicContact CD1-CD2 4.34Å; L1013-L1016 PolarHBondContact O-N 2.78Å; L1013-T1017 HydrophobicContact CD1-CG2 4.48Å; L1013-T1017 WeakPolarHBondContact O-CG2 3.49Å; L1013-T1017 PolarHBondContact O-N 3.43Å; L1013-L1045 HydrophobicContact CD1-CD2 4.02Å; L1013-L1045 HydrophobicContact CD2-CD2 4.39Å; L1013-F1048 HydrophobicContact CB-CD2 4.39Å; L1013-F1048 HydrophobicContact CB-CE1 4.22Å; L1013-F1048 HydrophobicContact CB-CE2 3.94Å; L1013-F1048 HydrophobicContact CB-CZ 3.85Å; L1013-F1048 HydrophobicContact CD1-CB 4.47Å; L1013-F1048 HydrophobicContact CD1-CD1 4.25Å; L1013-F1048 HydrophobicContact CD1-CD2 4.22Å; L1013-F1048 HydrophobicContact CD1-CG 4.05Å; L1013-F1048 HydrophobicContact CD2-CD1 4.38Å; L1013-F1048 HydrophobicContact CD2-CE1 4.23Å; L1013-Y1061 HydrophobicContact CB-CD1 4.44Å; L1013-Y1061 HydrophobicContact CB-CE1 4.04Å; L1013-Y1061 HydrophobicContact CD2-CD1 4Å; L1013-Y1061 HydrophobicContact CD2-CE1 3.57Å; L1013-Y1061 HydrophobicContact CG-CE1 4.4Å; L1013-L1069 HydrophobicContact CD2-CD1 4.16Å |
| 1014 | D | 63.3 | Low | 62.5 | Low | 27 Ų | 27 | 26.5 Ų | 26.5 | 14% | 0.144 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.7 | -46.8 | -177.1 | -81.5 | -64.5 | 0 | 0 | 0 | 110.6 | D1012 L1016 T1017 E1018 Y1061 T1062 S1065 | D1012-D1014 WeakPolarHBondContact OD1-CA 3.26Å; D1012-D1014 PolarHBondContact OD1-N 2.81Å; D1014-L1016 VanDerWaalsContact C-N 3.32Å; D1014-L1016 PolarHBondContact O-N 3.04Å; D1014-T1017 PolarHBondContact O-N 2.73Å; D1014-T1017 VanDerWaalsContact O-N 3.16Å; D1014-T1017 PolarHBondContact O-OG1 3.16Å; D1014-E1018 PolarHBondContact O-N 3.31Å; D1014-Y1061 WeakPolarHBondContact OD2-CA 3.22Å; D1014-T1062 HydrophobicContact CB-CG2 4.06Å; D1014-T1062 VanDerWaalsContact CG-CG2 3.47Å; D1014-T1062 VanDerWaalsContact OD1-CB 3.29Å; D1014-T1062 WeakPolarHBondContact OD1-CB 3.25Å; D1014-T1062 PolarHBondContact OD1-N 2.77Å; D1014-T1062 PolarHBondContact OD1-OG1 2.9Å; D1014-T1062 PolarHBondContact OD2-N 3.4Å; D1014-S1065 VanDerWaalsContact CG-OG 3.31Å; D1014-S1065 WeakPolarHBondContact OD1-CB 3.38Å; D1014-S1065 PolarHBondContact OD1-N 3.05Å; D1014-S1065 PolarHBondContact OD1-OG 2.8Å; D1014-S1065 PolarHBondContact OD2-OG 3.46Å |
| 1015 | Y | 64.3 | Low | 62.3 | Low | 17 Ų | 17 | 32.9 Ų | 32.9 | 7% | 0.067 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.1 | -33.8 | 174.5 | -141.1 | -101.3 | 0 | 0 | 0 | 112.4 | A979 K980 L983 D1012 E1018 C1019 | A979-Y1015 HydrophobicContact CB-CD1 4.01Å; A979-Y1015 HydrophobicContact CB-CE1 4.09Å; K980-Y1015 WeakPolarHBondContact CA-OH 3.34Å; K980-Y1015 HydrophobicContact CB-CE1 4.32Å; K980-Y1015 WeakPolarHBondContact CB-OH 3.23Å; K980-Y1015 WeakPolarHBondContact CG-OH 3.24Å; L983-Y1015 HydrophobicContact CD2-CE1 4.16Å; D1012-Y1015 PolarHBondContact OD1-N 3.5Å; Y1015-E1018 PolarHBondContact O-N 2.67Å; Y1015-C1019 WeakPolarHBondContact O-CB 3.37Å; Y1015-C1019 PolarHBondContact O-N 3.08Å; Y1015-C1019 PolarHBondContact O-SG 2.85Å |
| 1016 | L | 64.6 | Low | 62.2 | Low | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 171.1 | -173.7 | 64.8 | 0 | 0 | 0 | 112 | C1004 C1007 I1008 D1012 L1013 D1014 C1019 W1020 L1044 | C1004-L1016 HydrophobicContact CB-CD1 4.06Å; C1007-L1016 HydrophobicContact CB-CB 3.87Å; C1007-L1016 HydrophobicContact CB-CD1 3.96Å; C1007-L1016 HydrophobicContact CB-CG 4.49Å; I1008-L1016 HydrophobicContact CG1-CD1 4.46Å; D1012-L1016 WeakPolarHBondContact O-CB 3.47Å; D1012-L1016 PolarHBondContact O-N 3.2Å; D1012-L1016 VanDerWaalsContact O-N 3.15Å; L1013-L1016 HydrophobicContact CD1-CD2 4.34Å; L1013-L1016 PolarHBondContact O-N 2.78Å; D1014-L1016 VanDerWaalsContact C-N 3.32Å; D1014-L1016 PolarHBondContact O-N 3.04Å; L1016-C1019 PolarHBondContact O-N 2.93Å; L1016-W1020 WeakPolarHBondContact O-CB 3.42Å; L1016-W1020 PolarHBondContact O-N 3.19Å; L1016-L1044 HydrophobicContact CD1-CD2 4.11Å; L1016-L1044 HydrophobicContact CD2-CD2 4.18Å; L1016-L1044 HydrophobicContact CG-CD2 4.32Å |
| 1017 | T | 63.8 | Low | 61.9 | Low | 9 Ų | 9 | 37.1 Ų | 37.1 | 6% | 0.055 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.2 | -33.4 | 176.1 | 62.2 | 0 | 0 | 0 | 0 | 113.1 | L1013 D1014 W1020 L1021 L1068 | L1013-T1017 HydrophobicContact CD1-CG2 4.48Å; L1013-T1017 WeakPolarHBondContact O-CG2 3.49Å; L1013-T1017 PolarHBondContact O-N 3.43Å; D1014-T1017 PolarHBondContact O-N 2.73Å; D1014-T1017 VanDerWaalsContact O-N 3.16Å; D1014-T1017 PolarHBondContact O-OG1 3.16Å; T1017-W1020 PolarHBondContact O-N 3.35Å; T1017-L1021 WeakPolarHBondContact O-CB 3.42Å; T1017-L1021 VanDerWaalsContact O-CG 3.3Å; T1017-L1021 WeakPolarHBondContact O-CG 3.35Å; T1017-L1021 PolarHBondContact O-N 2.76Å; T1017-L1068 HydrophobicContact CG2-CD2 3.66Å |
| 1018 | E | 65.7 | Low | 61.3 | Low | 70 Ų | 70 | 42.8 Ų | 42.8 | 33% | 0.327 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.8 | -44.7 | 173.7 | -172.1 | 147.3 | -95.2 | 0 | 0 | 111.4 | D1014 Y1015 W1020 L1021 H1022 K1064 | D1014-E1018 PolarHBondContact O-N 3.31Å; Y1015-E1018 PolarHBondContact O-N 2.67Å; E1018-W1020 VanDerWaalsContact C-N 3.31Å; E1018-W1020 PolarHBondContact O-N 3.15Å; E1018-L1021 PolarHBondContact O-N 2.85Å; E1018-H1022 WeakPolarHBondContact O-CB 3.22Å; E1018-H1022 PolarHBondContact O-N 3.41Å; E1018-K1064 IonicContact OE1-NZ 2.83Å; E1018-K1064 PolarHBondContact OE1-NZ 2.83Å |
| 1019 | C | 63.9 | Low | 61 | Low | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.8 | -40.5 | 172.3 | -66.3 | 0 | 0 | 0 | 0 | 112.2 | L983 Y1015 L1016 H1022 L1023 | L983-C1019 HydrophobicContact CD1-CB 4.5Å; Y1015-C1019 WeakPolarHBondContact O-CB 3.37Å; Y1015-C1019 PolarHBondContact O-N 3.08Å; Y1015-C1019 PolarHBondContact O-SG 2.85Å; L1016-C1019 PolarHBondContact O-N 2.93Å; C1019-H1022 PolarHBondContact O-N 3.03Å; C1019-L1023 WeakPolarHBondContact O-CB 3.37Å; C1019-L1023 WeakPolarHBondContact O-CG 3.41Å; C1019-L1023 PolarHBondContact O-N 3.48Å |
| 1020 | W | 64.3 | Low | 60.7 | Low | 10 Ų | 10 | 48.1 Ų | 48.1 | 4% | 0.038 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.2 | -43.2 | 178.3 | -178 | 74.6 | 0 | 0 | 0 | 113.4 | L1016 T1017 E1018 H1022 L1023 N1024 V1034 C1037 L1040 A1041 L1044 L1068 | L1016-W1020 WeakPolarHBondContact O-CB 3.42Å; L1016-W1020 PolarHBondContact O-N 3.19Å; T1017-W1020 PolarHBondContact O-N 3.35Å; E1018-W1020 VanDerWaalsContact C-N 3.31Å; E1018-W1020 PolarHBondContact O-N 3.15Å; W1020-H1022 VanDerWaalsContact C-N 3.27Å; W1020-H1022 PolarHBondContact O-N 2.99Å; W1020-L1023 PolarHBondContact O-N 3.09Å; W1020-N1024 VanDerWaalsContact CD1-ND2 3.27Å; W1020-N1024 PolarHBondContact NE1-ND2 3.32Å; W1020-N1024 VanDerWaalsContact NE1-ND2 3.17Å; W1020-N1024 PolarHBondContact O-N 3.12Å; W1020-N1024 VanDerWaalsContact O-N 3.09Å; W1020-N1024 PolarHBondContact O-ND2 2.88Å; W1020-V1034 HydrophobicContact CH2-CG1 3.7Å; W1020-V1034 HydrophobicContact CZ3-CG1 4.15Å; W1020-C1037 HydrophobicContact CH2-CB 4.15Å; W1020-C1037 HydrophobicContact CZ2-CB 3.98Å; W1020-L1040 HydrophobicContact CZ2-CB 4.37Å; W1020-A1041 HydrophobicContact CH2-CB 3.92Å; W1020-A1041 HydrophobicContact CZ2-CB 3.88Å; W1020-L1044 HydrophobicContact CB-CD1 4.23Å; W1020-L1044 HydrophobicContact CD2-CD1 4.45Å; W1020-L1044 HydrophobicContact CG-CD1 3.7Å; W1020-L1068 HydrophobicContact CE3-CD1 4.42Å; W1020-L1068 HydrophobicContact CH2-CD1 4.43Å; W1020-L1068 HydrophobicContact CZ3-CD1 3.75Å |
| 1021 | L | 66.3 | Low | 60.4 | Low | 27 Ų | 27 | 48.9 Ų | 48.9 | 14% | 0.141 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.7 | -38.2 | 175.2 | -74.3 | 168.5 | 0 | 0 | 0 | 111.3 | T1017 E1018 N1025 I1026 | T1017-L1021 WeakPolarHBondContact O-CB 3.42Å; T1017-L1021 VanDerWaalsContact O-CG 3.3Å; T1017-L1021 WeakPolarHBondContact O-CG 3.35Å; T1017-L1021 PolarHBondContact O-N 2.76Å; E1018-L1021 PolarHBondContact O-N 2.85Å; L1021-N1025 PolarHBondContact O-N 2.8Å; L1021-I1026 HydrophobicContact CD2-CB 4.15Å; L1021-I1026 HydrophobicContact CD2-CG2 4.28Å; L1021-I1026 PolarHBondContact O-N 3.02Å |
| 1022 | H | 63.9 | Low | 60 | Low | 70 Ų | 70 | 51.3 Ų | 51.3 | 32% | 0.324 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.7 | -53.2 | 175.4 | -166.1 | -79.8 | 0 | 0 | 0 | 112.2 | L983 T986 N987 E1018 C1019 W1020 N1024 N1025 | L983-H1022 HydrophobicContact CD1-CB 4.18Å; T986-H1022 PolarHBondContact OG1-CE1 3.2Å; T986-H1022 PolarHBondContact OG1-ND1 2.76Å; N987-H1022 PolarHBondContact ND2-NE2 2.9Å; N987-H1022 PolarHBondContact OD1-NE2 2.91Å; E1018-H1022 WeakPolarHBondContact O-CB 3.22Å; E1018-H1022 PolarHBondContact O-N 3.41Å; C1019-H1022 PolarHBondContact O-N 3.03Å; W1020-H1022 VanDerWaalsContact C-N 3.27Å; W1020-H1022 PolarHBondContact O-N 2.99Å; H1022-N1024 PolarHBondContact O-N 3.36Å; H1022-N1025 WeakPolarHBondContact O-CA 3.25Å; H1022-N1025 PolarHBondContact O-N 3.49Å |
| 1023 | L | 60.5 | Low | 59.5 | Low | 43 Ų | 43 | 56.2 Ų | 56.2 | 23% | 0.225 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.3 | -31.5 | 178.3 | -83.8 | 168.5 | 0 | 0 | 0 | 113.9 | F997 C1019 W1020 | F997-L1023 HydrophobicContact CD2-CD2 4.02Å; F997-L1023 HydrophobicContact CE2-CD2 4.26Å; C1019-L1023 WeakPolarHBondContact O-CB 3.37Å; C1019-L1023 WeakPolarHBondContact O-CG 3.41Å; C1019-L1023 PolarHBondContact O-N 3.48Å; W1020-L1023 PolarHBondContact O-N 3.09Å |
| 1024 | N | 57.9 | Low | 58.9 | Low | 44 Ų | 44 | 56.1 Ų | 56.1 | 24% | 0.235 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 1.4 | 176.9 | -69.4 | -95.9 | 0 | 0 | 0 | 113.4 | W1020 H1022 I1026 | W1020-N1024 VanDerWaalsContact CD1-ND2 3.27Å; W1020-N1024 PolarHBondContact NE1-ND2 3.32Å; W1020-N1024 VanDerWaalsContact NE1-ND2 3.17Å; W1020-N1024 PolarHBondContact O-N 3.12Å; W1020-N1024 VanDerWaalsContact O-N 3.09Å; W1020-N1024 PolarHBondContact O-ND2 2.88Å; H1022-N1024 PolarHBondContact O-N 3.36Å; N1024-I1026 VanDerWaalsContact C-N 3.3Å; N1024-I1026 HydrophobicContact CB-CD1 3.67Å; N1024-I1026 HydrophobicContact CB-CG1 3.65Å; N1024-I1026 WeakPolarHBondContact O-CG1 3.14Å; N1024-I1026 PolarHBondContact O-N 3.32Å |
| 1025 | N | 59.3 | Low | 58.3 | Low | 143 Ų | 143 | 60.5 Ų | 60.5 | 77% | 0.765 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 39.6 | 179.1 | -151.8 | -13.1 | 0 | 0 | 0 | 113.2 | L1021 H1022 | L1021-N1025 PolarHBondContact O-N 2.8Å; H1022-N1025 WeakPolarHBondContact O-CA 3.25Å; H1022-N1025 PolarHBondContact O-N 3.49Å |
| 1026 | I | 59 | Low | 57.6 | Low | 34 Ų | 34 | 68.8 Ų | 68.8 | 17% | 0.174 | 34% | 0.341 | C | S | . | . | trans | -99 | 104.7 | -172.8 | -53.5 | -174.1 | 0 | 0 | 0 | 110.8 | L1021 N1024 V1034 | L1021-I1026 HydrophobicContact CD2-CB 4.15Å; L1021-I1026 HydrophobicContact CD2-CG2 4.28Å; L1021-I1026 PolarHBondContact O-N 3.02Å; N1024-I1026 VanDerWaalsContact C-N 3.3Å; N1024-I1026 HydrophobicContact CB-CD1 3.67Å; N1024-I1026 HydrophobicContact CB-CG1 3.65Å; N1024-I1026 WeakPolarHBondContact O-CG1 3.14Å; N1024-I1026 PolarHBondContact O-N 3.32Å; I1026-V1034 HydrophobicContact CD1-CG2 4.09Å; I1026-V1034 HydrophobicContact CG2-CG2 3.97Å | ||
| 1027 | N | 55.9 | Low | 57 | Low | 110 Ų | 110 | 70.3 Ų | 70.3 | 59% | 0.588 | 35% | 0.352 | S | S | * | . | trans | -57.4 | 137 | 171.2 | -74 | -54.7 | 0 | 0 | 0 | 112.1 | N1029 H1030 | N1027-N1029 PolarHBondContact O-N 3.45Å; N1027-H1030 PolarHBondContact O-N 3.06Å | ||
| 1028 | E | 52.3 | Low | 56.5 | Low | 119 Ų | 119 | 70.1 Ų | 70.1 | 56% | 0.556 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -54.1 | -28.8 | -180 | -58.5 | -172 | 142.8 | 0 | 0 | 113.4 | H1030 L1031 K1064 | E1028-H1030 PolarHBondContact O-N 3.09Å; E1028-L1031 WeakPolarHBondContact O-CD1 3.44Å; E1028-K1064 VanDerWaalsContact OE1-CE 3.28Å; E1028-K1064 WeakPolarHBondContact OE1-CE 3.35Å; E1028-K1064 IonicContact OE1-NZ 3.76Å; E1028-K1064 PolarHBondContact OE1-NZ 2.88Å |
| 1029 | N | 52.5 | Low | 55.8 | Low | 134 Ų | 134 | 70.4 Ų | 70.4 | 72% | 0.717 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -79.6 | 11.6 | 177.1 | -65.3 | -45.8 | 0 | 0 | 0 | 114.8 | N1027 R1334 | N1027-N1029 PolarHBondContact O-N 3.45Å; N1029-R1334 PolarHBondContact O-NH1 2.98Å |
| 1030 | H | 52.7 | Low | 55.2 | Low | 66 Ų | 66 | 72.4 Ų | 72.4 | 31% | 0.306 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -134.6 | 18.7 | -177.3 | -82 | -82.9 | 0 | 0 | 0 | 114.7 | N1027 E1028 D1032 H1033 R1334 | N1027-H1030 PolarHBondContact O-N 3.06Å; E1028-H1030 PolarHBondContact O-N 3.09Å; H1030-D1032 PolarHBondContact O-N 2.93Å; H1030-H1033 AromaticContact ND1-CD2 3.52Å; H1030-H1033 AromaticContact ND1-NE2 3.81Å; H1030-H1033 PolarHBondContact O-N 3.46Å; H1030-R1334 PolarHBondContact CE1-NH2 3.08Å; H1030-R1334 PolarHBondContact NE2-NH2 3.3Å |
| 1031 | L | 52.8 | Low | 54.7 | Low | 24 Ų | 24 | 72 Ų | 72 | 13% | 0.126 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -53.8 | -28.2 | 176.8 | -96.5 | 80.8 | 0 | 0 | 0 | 113.9 | E1028 H1033 V1034 K1067 | E1028-L1031 WeakPolarHBondContact O-CD1 3.44Å; L1031-H1033 PolarHBondContact O-N 2.87Å; L1031-H1033 VanDerWaalsContact O-N 3.11Å; L1031-V1034 HydrophobicContact CB-CG2 4.47Å; L1031-V1034 HydrophobicContact CG-CG2 4.35Å; L1031-V1034 WeakPolarHBondContact O-CB 3.37Å; L1031-V1034 WeakPolarHBondContact O-CG2 3.35Å; L1031-V1034 PolarHBondContact O-N 3.28Å; L1031-K1067 HydrophobicContact CD2-CD 3.91Å; L1031-K1067 HydrophobicContact CD2-CG 4.16Å |
| 1032 | D | 51.3 | Low | 54 | Low | 83 Ų | 83 | 73.1 Ų | 73.1 | 44% | 0.444 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -62.5 | -15.8 | 176.2 | -61.5 | -10.1 | 0 | 0 | 0 | 114.1 | H1030 Y1336 | H1030-D1032 PolarHBondContact O-N 2.93Å; D1032-Y1336 PolarHBondContact OD2-OH 3.2Å |
| 1033 | H | 50.6 | Low | 53.4 | Low | 135 Ų | 135 | 72 Ų | 72 | 63% | 0.625 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -92.1 | -6.1 | 174.3 | -69.1 | -17.4 | 0 | 0 | 0 | 113.9 | H1030 L1031 I1035 K1036 | H1030-H1033 AromaticContact ND1-CD2 3.52Å; H1030-H1033 AromaticContact ND1-NE2 3.81Å; H1030-H1033 PolarHBondContact O-N 3.46Å; L1031-H1033 PolarHBondContact O-N 2.87Å; L1031-H1033 VanDerWaalsContact O-N 3.11Å; H1033-I1035 PolarHBondContact O-N 3.01Å; H1033-I1035 VanDerWaalsContact O-N 3.08Å; H1033-K1036 PolarHBondContact O-N 3.44Å |
| 1034 | V | 52.6 | Low | 53 | Low | 9 Ų | 9 | 71.1 Ų | 71.1 | 6% | 0.055 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -69.3 | -8.8 | -173.2 | -178.9 | 0 | 0 | 0 | 0 | 113 | W1020 I1026 L1031 K1036 C1037 L1038 | W1020-V1034 HydrophobicContact CH2-CG1 3.7Å; W1020-V1034 HydrophobicContact CZ3-CG1 4.15Å; I1026-V1034 HydrophobicContact CD1-CG2 4.09Å; I1026-V1034 HydrophobicContact CG2-CG2 3.97Å; L1031-V1034 HydrophobicContact CB-CG2 4.47Å; L1031-V1034 HydrophobicContact CG-CG2 4.35Å; L1031-V1034 WeakPolarHBondContact O-CB 3.37Å; L1031-V1034 WeakPolarHBondContact O-CG2 3.35Å; L1031-V1034 PolarHBondContact O-N 3.28Å; V1034-K1036 PolarHBondContact O-N 2.77Å; V1034-C1037 HydrophobicContact CG1-CB 4.42Å; V1034-C1037 PolarHBondContact O-N 3.38Å; V1034-L1038 HydrophobicContact CG1-CD1 3.73Å; V1034-L1038 PolarHBondContact O-N 3.5Å |
| 1035 | I | 50.9 | Low | 52.8 | Low | 118 Ų | 118 | 70.2 Ų | 70.2 | 61% | 0.605 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -47.7 | -31.5 | 170.9 | -59.1 | 174.3 | 0 | 0 | 0 | 112.4 | H1033 | H1033-I1035 PolarHBondContact O-N 3.01Å; H1033-I1035 VanDerWaalsContact O-N 3.08Å |
| 1036 | K | 48.4 | Very low | 52.3 | Low | 191 Ų | 191 | 67.2 Ų | 67.2 | 83% | 0.83 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -76 | -27.2 | 176.4 | -69.7 | -172 | 176.8 | -175.8 | 0 | 115 | H1033 V1034 | H1033-K1036 PolarHBondContact O-N 3.44Å; V1034-K1036 PolarHBondContact O-N 2.77Å |
| 1037 | C | 52.8 | Low | 51.7 | Low | 37 Ų | 37 | 66.7 Ų | 66.7 | 25% | 0.25 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -4 | -174.2 | -60.5 | 0 | 0 | 0 | 0 | 112.8 | W1020 V1034 P1039 L1040 | W1020-C1037 HydrophobicContact CH2-CB 4.15Å; W1020-C1037 HydrophobicContact CZ2-CB 3.98Å; V1034-C1037 HydrophobicContact CG1-CB 4.42Å; V1034-C1037 PolarHBondContact O-N 3.38Å; C1037-P1039 VanDerWaalsContact C-CD 3.42Å; C1037-L1040 WeakPolarHBondContact O-CB 3.34Å; C1037-L1040 PolarHBondContact O-N 3.1Å |
| 1038 | L | 53.6 | Low | 51.5 | Low | 5 Ų | 5 | 62.7 Ų | 62.7 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62 | -27 | -170.6 | -128.8 | 73.6 | 0 | 0 | 0 | 117 | V1034 L1040 A1041 L1042 L1072 W1075 | V1034-L1038 HydrophobicContact CG1-CD1 3.73Å; V1034-L1038 PolarHBondContact O-N 3.5Å; L1038-L1040 VanDerWaalsContact C-N 3.27Å; L1038-L1040 PolarHBondContact O-N 3.41Å; L1038-A1041 HydrophobicContact CD1-CB 4.41Å; L1038-A1041 HydrophobicContact CG-CB 4.48Å; L1038-A1041 PolarHBondContact O-N 3.18Å; L1038-A1041 VanDerWaalsContact O-N 3.11Å; L1038-L1042 PolarHBondContact O-N 3.44Å; L1038-L1072 HydrophobicContact CD1-CD2 4.36Å; L1038-L1072 HydrophobicContact CD1-CG 4.37Å; L1038-L1072 HydrophobicContact CD2-CD2 3.76Å; L1038-L1072 HydrophobicContact CD2-CG 4.11Å; L1038-L1072 HydrophobicContact CG-CD2 3.62Å; L1038-L1072 HydrophobicContact CG-CG 4.11Å; L1038-W1075 HydrophobicContact CD2-CB 3.24Å; L1038-W1075 VanDerWaalsContact CD2-CD1 3.45Å; L1038-W1075 HydrophobicContact CD2-CD2 3.74Å; L1038-W1075 HydrophobicContact CD2-CG 3.2Å; L1038-W1075 HydrophobicContact CG-CG 4.45Å |
| 1039 | P | 50.5 | Low | 51.3 | Low | 76 Ų | 76 | 62.3 Ų | 62.3 | 49% | 0.494 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.4 | -33.7 | 170.4 | -27.1 | 36.8 | 0 | 0 | 0 | 113.9 | C1037 L1043 | C1037-P1039 VanDerWaalsContact C-CD 3.42Å; P1039-L1043 PolarHBondContact O-N 2.71Å; P1039-L1043 VanDerWaalsContact O-N 3.12Å |
| 1040 | L | 51.7 | Low | 50.7 | Low | 43 Ų | 43 | 60.1 Ų | 60.1 | 23% | 0.225 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70 | -37.9 | 173.1 | -98.1 | 64.8 | 0 | 0 | 0 | 111.6 | Y689 W1020 C1037 L1038 L1042 L1043 L1044 | Y689-L1040 HydrophobicContact CD1-CD2 3.91Å; Y689-L1040 HydrophobicContact CD1-CG 4.36Å; Y689-L1040 HydrophobicContact CE1-CD2 3.56Å; Y689-L1040 HydrophobicContact CE1-CG 4.4Å; Y689-L1040 HydrophobicContact CE2-CD2 4.34Å; Y689-L1040 HydrophobicContact CG-CD2 4.44Å; W1020-L1040 HydrophobicContact CZ2-CB 4.37Å; C1037-L1040 WeakPolarHBondContact O-CB 3.34Å; C1037-L1040 PolarHBondContact O-N 3.1Å; L1038-L1040 VanDerWaalsContact C-N 3.27Å; L1038-L1040 PolarHBondContact O-N 3.41Å; L1040-L1042 VanDerWaalsContact C-N 3.34Å; L1040-L1043 WeakPolarHBondContact O-CB 3.3Å; L1040-L1043 PolarHBondContact O-N 3.2Å; L1040-L1044 PolarHBondContact O-N 3.35Å |
| 1041 | A | 52.5 | Low | 50.2 | Low | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.008 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.9 | -33.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | W1020 L1038 L1045 L1072 | W1020-A1041 HydrophobicContact CH2-CB 3.92Å; W1020-A1041 HydrophobicContact CZ2-CB 3.88Å; L1038-A1041 HydrophobicContact CD1-CB 4.41Å; L1038-A1041 HydrophobicContact CG-CB 4.48Å; L1038-A1041 PolarHBondContact O-N 3.18Å; L1038-A1041 VanDerWaalsContact O-N 3.11Å; A1041-L1045 PolarHBondContact O-N 2.9Å; A1041-L1072 HydrophobicContact CB-CD1 3.99Å; A1041-L1072 HydrophobicContact CB-CD2 4.14Å; A1041-L1072 HydrophobicContact CB-CG 4.49Å |
| 1042 | L | 52 | Low | 49.7 | Very low | 50 Ų | 50 | 60.2 Ų | 60.2 | 26% | 0.262 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 169.5 | -77.1 | 165 | 0 | 0 | 0 | 112.1 | L1038 L1040 L1044 L1045 F1046 L1072 W1075 L1076 | L1038-L1042 PolarHBondContact O-N 3.44Å; L1040-L1042 VanDerWaalsContact C-N 3.34Å; L1042-L1044 VanDerWaalsContact C-N 3.32Å; L1042-L1044 PolarHBondContact O-N 2.82Å; L1042-L1045 PolarHBondContact O-N 3.42Å; L1042-F1046 WeakPolarHBondContact O-CB 3.23Å; L1042-F1046 PolarHBondContact O-N 2.92Å; L1042-L1072 HydrophobicContact CD2-CD2 3.71Å; L1042-L1072 HydrophobicContact CG-CD2 3.59Å; L1042-W1075 HydrophobicContact CD1-CE3 3.91Å; L1042-W1075 HydrophobicContact CD1-CH2 3.68Å; L1042-W1075 HydrophobicContact CD1-CZ3 3.33Å; L1042-L1076 HydrophobicContact CD2-CD1 4.4Å; L1042-L1076 HydrophobicContact CD2-CD2 4.32Å |
| 1043 | L | 51.6 | Low | 49.1 | Very low | 47 Ų | 47 | 61.9 Ų | 61.9 | 25% | 0.246 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 175.6 | -169.6 | 77 | 0 | 0 | 0 | 111.2 | F692 I693 P1039 L1040 F1046 L1047 | F692-L1043 HydrophobicContact CD1-CD2 4.29Å; F692-L1043 HydrophobicContact CE1-CD2 4.48Å; I693-L1043 HydrophobicContact CD1-CD2 4.17Å; I693-L1043 HydrophobicContact CG1-CD1 4.27Å; I693-L1043 HydrophobicContact CG1-CD2 3.66Å; P1039-L1043 PolarHBondContact O-N 2.71Å; P1039-L1043 VanDerWaalsContact O-N 3.12Å; L1040-L1043 WeakPolarHBondContact O-CB 3.3Å; L1040-L1043 PolarHBondContact O-N 3.2Å; L1043-F1046 PolarHBondContact O-N 2.82Å; L1043-L1047 HydrophobicContact CG-CD1 4.25Å; L1043-L1047 WeakPolarHBondContact O-CD1 3.47Å; L1043-L1047 VanDerWaalsContact O-CG 3.26Å; L1043-L1047 WeakPolarHBondContact O-CG 3.45Å; L1043-L1047 PolarHBondContact O-N 2.85Å |
| 1044 | L | 51.9 | Low | 48.4 | Very low | 25 Ų | 25 | 59.7 Ų | 59.7 | 13% | 0.131 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.4 | -38.6 | 178.5 | -80.8 | 157.3 | 0 | 0 | 0 | 113.8 | L1016 W1020 L1040 L1042 L1047 F1048 | L1016-L1044 HydrophobicContact CD1-CD2 4.11Å; L1016-L1044 HydrophobicContact CD2-CD2 4.18Å; L1016-L1044 HydrophobicContact CG-CD2 4.32Å; W1020-L1044 HydrophobicContact CB-CD1 4.23Å; W1020-L1044 HydrophobicContact CD2-CD1 4.45Å; W1020-L1044 HydrophobicContact CG-CD1 3.7Å; L1040-L1044 PolarHBondContact O-N 3.35Å; L1042-L1044 VanDerWaalsContact C-N 3.32Å; L1042-L1044 PolarHBondContact O-N 2.82Å; L1044-L1047 PolarHBondContact O-N 2.89Å; L1044-F1048 PolarHBondContact O-N 3.47Å |
| 1045 | L | 53.8 | Low | 47.3 | Very low | 24 Ų | 24 | 67.5 Ų | 67.5 | 13% | 0.126 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.3 | -35.9 | 171.9 | -72.6 | -170.8 | 0 | 0 | 0 | 112.7 | L1013 A1041 L1042 L1047 F1048 R1049 L1069 L1072 L1102 | L1013-L1045 HydrophobicContact CD1-CD2 4.02Å; L1013-L1045 HydrophobicContact CD2-CD2 4.39Å; A1041-L1045 PolarHBondContact O-N 2.9Å; L1042-L1045 PolarHBondContact O-N 3.42Å; L1045-L1047 VanDerWaalsContact C-N 3.32Å; L1045-F1048 PolarHBondContact O-N 3.03Å; L1045-R1049 WeakPolarHBondContact O-CB 3.31Å; L1045-R1049 PolarHBondContact O-N 3.26Å; L1045-L1069 HydrophobicContact CD1-CD2 3.44Å; L1045-L1069 VanDerWaalsContact CD1-CD2 3.44Å; L1045-L1069 HydrophobicContact CD1-CG 4.36Å; L1045-L1069 HydrophobicContact CD2-CD2 4Å; L1045-L1069 HydrophobicContact CG-CD2 4.4Å; L1045-L1072 HydrophobicContact CD1-CD1 3.52Å; L1045-L1072 HydrophobicContact CG-CD1 4.19Å; L1045-L1102 HydrophobicContact CD1-CD1 4.36Å |
| 1046 | F | 48.6 | Very low | 46.2 | Very low | 80 Ų | 80 | 65.3 Ų | 65.3 | 35% | 0.351 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 175.9 | -164.3 | -98.8 | 0 | 0 | 0 | 111 | I666 L1042 L1043 R1049 L1050 | I666-F1046 HydrophobicContact CG2-CZ 4.22Å; L1042-F1046 WeakPolarHBondContact O-CB 3.23Å; L1042-F1046 PolarHBondContact O-N 2.92Å; L1043-F1046 PolarHBondContact O-N 2.82Å; F1046-R1049 WeakPolarHBondContact O-CB 3.17Å; F1046-R1049 PolarHBondContact O-N 3.11Å; F1046-L1050 HydrophobicContact CD1-CD1 3.86Å; F1046-L1050 HydrophobicContact CE1-CD1 3.85Å; F1046-L1050 HydrophobicContact CE1-CG 4.49Å; F1046-L1050 WeakPolarHBondContact O-CG 3.42Å; F1046-L1050 PolarHBondContact O-N 3.24Å; F1046-L1050 VanDerWaalsContact O-N 3.15Å |
| 1047 | L | 46.8 | Very low | 45.4 | Very low | 24 Ų | 24 | 63.6 Ų | 63.6 | 13% | 0.126 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62 | -49.2 | 173 | -74.5 | 162.3 | 0 | 0 | 0 | 113 | F692 I696 L1043 L1044 L1045 R1049 L1050 S1051 | F692-L1047 HydrophobicContact CE1-CD1 3.67Å; F692-L1047 HydrophobicContact CZ-CD1 4.07Å; I696-L1047 HydrophobicContact CB-CD2 4.24Å; I696-L1047 HydrophobicContact CD1-CD1 3.58Å; I696-L1047 HydrophobicContact CD1-CD2 3.53Å; I696-L1047 HydrophobicContact CD1-CG 4.05Å; I696-L1047 HydrophobicContact CG1-CD1 4.49Å; I696-L1047 HydrophobicContact CG1-CD2 3.57Å; I696-L1047 HydrophobicContact CG2-CD2 3.66Å; L1043-L1047 HydrophobicContact CG-CD1 4.25Å; L1043-L1047 WeakPolarHBondContact O-CD1 3.47Å; L1043-L1047 VanDerWaalsContact O-CG 3.26Å; L1043-L1047 WeakPolarHBondContact O-CG 3.45Å; L1043-L1047 PolarHBondContact O-N 2.85Å; L1044-L1047 PolarHBondContact O-N 2.89Å; L1045-L1047 VanDerWaalsContact C-N 3.32Å; L1047-R1049 PolarHBondContact O-N 3.32Å; L1047-L1050 WeakPolarHBondContact O-CB 3.07Å; L1047-L1050 PolarHBondContact O-N 3.33Å; L1047-S1051 PolarHBondContact O-N 2.93Å; L1047-S1051 VanDerWaalsContact O-N 3.09Å; L1047-S1051 PolarHBondContact O-OG 3.36Å |
| 1048 | F | 51.1 | Low | 44.7 | Very low | 26 Ų | 26 | 69.4 Ų | 69.4 | 11% | 0.114 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.3 | -36.4 | 176.4 | -172.2 | -103.8 | 0 | 0 | 0 | 111.7 | D1011 L1013 L1044 L1045 L1050 S1051 S1052 | D1011-F1048 WeakPolarHBondContact OD1-CE2 3.21Å; L1013-F1048 HydrophobicContact CB-CD2 4.39Å; L1013-F1048 HydrophobicContact CB-CE1 4.22Å; L1013-F1048 HydrophobicContact CB-CE2 3.94Å; L1013-F1048 HydrophobicContact CB-CZ 3.85Å; L1013-F1048 HydrophobicContact CD1-CB 4.47Å; L1013-F1048 HydrophobicContact CD1-CD1 4.25Å; L1013-F1048 HydrophobicContact CD1-CD2 4.22Å; L1013-F1048 HydrophobicContact CD1-CG 4.05Å; L1013-F1048 HydrophobicContact CD2-CD1 4.38Å; L1013-F1048 HydrophobicContact CD2-CE1 4.23Å; L1044-F1048 PolarHBondContact O-N 3.47Å; L1045-F1048 PolarHBondContact O-N 3.03Å; F1048-L1050 VanDerWaalsContact C-N 3.29Å; F1048-L1050 PolarHBondContact O-N 3.38Å; F1048-S1051 PolarHBondContact O-N 2.99Å; F1048-S1051 PolarHBondContact O-OG 3.39Å; F1048-S1052 WeakPolarHBondContact O-CB 3.37Å; F1048-S1052 PolarHBondContact O-N 2.93Å; F1048-S1052 VanDerWaalsContact O-N 3.08Å; F1048-S1052 PolarHBondContact O-OG 3.42Å |
| 1049 | R | 48.3 | Very low | 44.2 | Very low | 111 Ų | 111 | 74.6 Ų | 74.6 | 42% | 0.419 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -71.7 | -18.7 | 176.5 | -149.2 | -173.3 | -151.4 | -169.7 | 7.9 | 114.2 | E667 L1045 F1046 L1047 | E667-R1049 IonicContact OE1-NH1 3.57Å; L1045-R1049 WeakPolarHBondContact O-CB 3.31Å; L1045-R1049 PolarHBondContact O-N 3.26Å; F1046-R1049 WeakPolarHBondContact O-CB 3.17Å; F1046-R1049 PolarHBondContact O-N 3.11Å; L1047-R1049 PolarHBondContact O-N 3.32Å |
| 1050 | L | 39.5 | Very low | 44.2 | Very low | 87 Ų | 87 | 76.6 Ų | 76.6 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -88.2 | -28.7 | 173.4 | -71.5 | 167.4 | 0 | 0 | 0 | 112 | F1046 L1047 F1048 | F1046-L1050 HydrophobicContact CD1-CD1 3.86Å; F1046-L1050 HydrophobicContact CE1-CD1 3.85Å; F1046-L1050 HydrophobicContact CE1-CG 4.49Å; F1046-L1050 WeakPolarHBondContact O-CG 3.42Å; F1046-L1050 PolarHBondContact O-N 3.24Å; F1046-L1050 VanDerWaalsContact O-N 3.15Å; L1047-L1050 WeakPolarHBondContact O-CB 3.07Å; L1047-L1050 PolarHBondContact O-N 3.33Å; F1048-L1050 VanDerWaalsContact C-N 3.29Å; F1048-L1050 PolarHBondContact O-N 3.38Å |
| 1051 | S | 42.9 | Very low | 44.2 | Very low | 40 Ų | 40 | 77.8 Ų | 77.8 | 28% | 0.28 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -81.7 | -29.9 | 175.7 | 56 | 0 | 0 | 0 | 0 | 113.9 | L1047 F1048 S1053 | L1047-S1051 PolarHBondContact O-N 2.93Å; L1047-S1051 VanDerWaalsContact O-N 3.09Å; L1047-S1051 PolarHBondContact O-OG 3.36Å; F1048-S1051 PolarHBondContact O-N 2.99Å; F1048-S1051 PolarHBondContact O-OG 3.39Å; S1051-S1053 VanDerWaalsContact C-N 3.33Å; S1051-S1053 PolarHBondContact O-N 3.23Å |
| 1052 | S | 42.5 | Very low | 44.4 | Very low | 53 Ų | 53 | 80.7 Ų | 80.7 | 37% | 0.371 | 44% | 0.444 | S | S | . | . | trans | -77.7 | 69.8 | -174.2 | 68.8 | 0 | 0 | 0 | 0 | 113.5 | F1048 | F1048-S1052 WeakPolarHBondContact O-CB 3.37Å; F1048-S1052 PolarHBondContact O-N 2.93Å; F1048-S1052 VanDerWaalsContact O-N 3.08Å; F1048-S1052 PolarHBondContact O-OG 3.42Å | ||
| 1053 | S | 37.7 | Very low | 44.7 | Very low | 117 Ų | 117 | 85.8 Ų | 85.8 | 82% | 0.818 | 46% | 0.461 | S | S | * | . | trans | -99.8 | 29.4 | -170.5 | 61.3 | 0 | 0 | 0 | 0 | 116 | S1051 | S1051-S1053 VanDerWaalsContact C-N 3.33Å; S1051-S1053 PolarHBondContact O-N 3.23Å | ||
| 1054 | S | 36.2 | Very low | 45.1 | Very low | 90 Ų | 90 | 87 Ų | 87 | 63% | 0.629 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -136.4 | 145 | 178.7 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1055 | N | 29.7 | Very low | 45.4 | Very low | 172 Ų | 172 | 85.8 Ų | 85.8 | 92% | 0.92 | 46% | 0.458 | S | S | * | . | trans | -81.7 | 119.7 | -179.6 | -65.7 | -62.5 | 0 | 0 | 0 | 112.4 | ||||
| 1056 | G | 28.7 | Very low | 45.9 | Very low | 72 Ų | 72 | 85.4 Ų | 85.4 | 74% | 0.742 | 46% | 0.457 | S | S | * | . | trans | 77.1 | 89.6 | 151 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1057 | M | 31.8 | Very low | 46.5 | Very low | 156 Ų | 156 | 84.6 Ų | 84.6 | 77% | 0.768 | 45% | 0.454 | S | S | * | . | trans | -141.8 | 145.4 | 148.6 | -86.7 | -62 | -175 | 0 | 0 | 109.4 | H1059 | M1057-H1059 PolarHBondContact O-N 3.35Å; M1057-H1059 VanDerWaalsContact O-N 3.1Å | ||
| 1058 | D | 36.7 | Very low | 47.3 | Very low | 159 Ų | 159 | 84.2 Ų | 84.2 | 85% | 0.85 | 45% | 0.452 | S | S | * | . | trans | -82.5 | 84 | -172.5 | -60.4 | -55.9 | 0 | 0 | 0 | 112 | ||||
| 1059 | H | 45 | Very low | 48 | Very low | 113 Ų | 113 | 83.6 Ų | 83.6 | 52% | 0.523 | 45% | 0.449 | S | S | . | . | trans | -89.1 | 119.4 | 177.3 | -72.1 | -76.5 | 0 | 0 | 0 | 112.5 | M1057 Y1061 | M1057-H1059 PolarHBondContact O-N 3.35Å; M1057-H1059 VanDerWaalsContact O-N 3.1Å; H1059-Y1061 PolarHBondContact O-N 3.07Å | ||
| 1060 | H | 48.7 | Very low | 48.8 | Very low | 119 Ų | 119 | 80.1 Ų | 80.1 | 55% | 0.551 | 44% | 0.439 | S | S | * | . | trans | -76.6 | 101.5 | 178 | -65.1 | -54.4 | 0 | 0 | 0 | 112.5 | ||||
| 1061 | Y | 53.3 | Low | 49.9 | Very low | 68 Ų | 68 | 78.6 Ų | 78.6 | 27% | 0.267 | 43% | 0.429 | S | S | . | . | trans | -65 | 135.4 | 170.4 | -65.4 | -71.4 | 0 | 0 | 0 | 112.3 | L1013 D1014 H1059 T1109 | L1013-Y1061 HydrophobicContact CB-CD1 4.44Å; L1013-Y1061 HydrophobicContact CB-CE1 4.04Å; L1013-Y1061 HydrophobicContact CD2-CD1 4Å; L1013-Y1061 HydrophobicContact CD2-CE1 3.57Å; L1013-Y1061 HydrophobicContact CG-CE1 4.4Å; D1014-Y1061 WeakPolarHBondContact OD2-CA 3.22Å; H1059-Y1061 PolarHBondContact O-N 3.07Å; Y1061-T1109 WeakPolarHBondContact CD2-OG1 3.2Å; Y1061-T1109 HydrophobicContact CE2-CG2 4.04Å; Y1061-T1109 WeakPolarHBondContact CE2-OG1 3.45Å | ||
| 1062 | T | 56.2 | Low | 50.8 | Low | 62 Ų | 62 | 76.7 Ų | 76.7 | 38% | 0.38 | 42% | 0.416 | S | S | . | . | trans | -74 | 172.1 | 175.8 | 83.2 | 0 | 0 | 0 | 0 | 113.1 | D1014 K1064 S1065 S1066 | D1014-T1062 HydrophobicContact CB-CG2 4.06Å; D1014-T1062 VanDerWaalsContact CG-CG2 3.47Å; D1014-T1062 VanDerWaalsContact OD1-CB 3.29Å; D1014-T1062 WeakPolarHBondContact OD1-CB 3.25Å; D1014-T1062 PolarHBondContact OD1-N 2.77Å; D1014-T1062 PolarHBondContact OD1-OG1 2.9Å; D1014-T1062 PolarHBondContact OD2-N 3.4Å; T1062-K1064 PolarHBondContact O-N 2.81Å; T1062-K1064 PolarHBondContact OG1-N 2.96Å; T1062-K1064 VanDerWaalsContact OG1-N 3.09Å; T1062-S1065 PolarHBondContact O-OG 2.95Å; T1062-S1066 WeakPolarHBondContact O-CB 3.39Å; T1062-S1066 PolarHBondContact O-N 2.86Å; T1062-S1066 PolarHBondContact O-OG 3Å | ||
| 1063 | Y | 57.5 | Low | 51.9 | Low | 157 Ų | 157 | 74.2 Ų | 74.2 | 62% | 0.616 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59 | -22.3 | 171.1 | -176.1 | -97.3 | 0 | 0 | 0 | 114 | S1066 K1067 T1116 | Y1063-S1066 WeakPolarHBondContact CA-OG 3.22Å; Y1063-S1066 PolarHBondContact O-OG 2.69Å; Y1063-K1067 HydrophobicContact CE1-CD 4.31Å; Y1063-K1067 WeakPolarHBondContact O-CB 3.47Å; Y1063-K1067 PolarHBondContact O-N 2.76Å; Y1063-T1116 HydrophobicContact CE2-CG2 4.15Å |
| 1064 | K | 60.2 | Low | 53.2 | Low | 71 Ų | 71 | 71.4 Ų | 71.4 | 31% | 0.309 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -76.9 | -56 | -179.6 | -63.5 | -164.7 | -170.8 | -166.8 | 0 | 111.8 | E1018 E1028 T1062 K1067 L1068 | E1018-K1064 IonicContact OE1-NZ 2.83Å; E1018-K1064 PolarHBondContact OE1-NZ 2.83Å; E1028-K1064 VanDerWaalsContact OE1-CE 3.28Å; E1028-K1064 WeakPolarHBondContact OE1-CE 3.35Å; E1028-K1064 IonicContact OE1-NZ 3.76Å; E1028-K1064 PolarHBondContact OE1-NZ 2.88Å; T1062-K1064 PolarHBondContact O-N 2.81Å; T1062-K1064 PolarHBondContact OG1-N 2.96Å; T1062-K1064 VanDerWaalsContact OG1-N 3.09Å; K1064-K1067 PolarHBondContact O-N 2.8Å; K1064-L1068 PolarHBondContact O-N 2.84Å; K1064-L1068 VanDerWaalsContact O-N 3.08Å |
| 1065 | S | 59.5 | Low | 54.5 | Low | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 179.9 | 56.5 | 0 | 0 | 0 | 0 | 112.1 | D1014 T1062 K1067 L1068 L1069 | D1014-S1065 VanDerWaalsContact CG-OG 3.31Å; D1014-S1065 WeakPolarHBondContact OD1-CB 3.38Å; D1014-S1065 PolarHBondContact OD1-N 3.05Å; D1014-S1065 PolarHBondContact OD1-OG 2.8Å; D1014-S1065 PolarHBondContact OD2-OG 3.46Å; T1062-S1065 PolarHBondContact O-OG 2.95Å; S1065-K1067 VanDerWaalsContact C-N 3.3Å; S1065-K1067 PolarHBondContact O-N 3.31Å; S1065-L1068 WeakPolarHBondContact O-CB 3.37Å; S1065-L1068 PolarHBondContact O-N 2.93Å; S1065-L1068 VanDerWaalsContact O-N 3.07Å; S1065-L1069 WeakPolarHBondContact O-CD1 3.02Å; S1065-L1069 WeakPolarHBondContact O-CG 3.18Å; S1065-L1069 PolarHBondContact O-N 3.17Å |
| 1066 | S | 63.2 | Low | 56 | Low | 15 Ų | 15 | 61.6 Ų | 61.6 | 11% | 0.105 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.1 | -38.5 | 176 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | T1062 Y1063 L1069 I1070 | T1062-S1066 WeakPolarHBondContact O-CB 3.39Å; T1062-S1066 PolarHBondContact O-N 2.86Å; T1062-S1066 PolarHBondContact O-OG 3Å; Y1063-S1066 WeakPolarHBondContact CA-OG 3.22Å; Y1063-S1066 PolarHBondContact O-OG 2.69Å; S1066-L1069 PolarHBondContact O-N 2.94Å; S1066-I1070 WeakPolarHBondContact O-CD1 3.24Å; S1066-I1070 VanDerWaalsContact O-CG1 3.27Å; S1066-I1070 WeakPolarHBondContact O-CG1 3.35Å; S1066-I1070 PolarHBondContact O-N 2.76Å |
| 1067 | K | 62.1 | Low | 57.6 | Low | 63 Ų | 63 | 58.7 Ų | 58.7 | 27% | 0.274 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 173.3 | -175.9 | 175.9 | 178.3 | -173.2 | 0 | 112.4 | L1031 Y1063 K1064 S1065 I1070 H1071 | L1031-K1067 HydrophobicContact CD2-CD 3.91Å; L1031-K1067 HydrophobicContact CD2-CG 4.16Å; Y1063-K1067 HydrophobicContact CE1-CD 4.31Å; Y1063-K1067 WeakPolarHBondContact O-CB 3.47Å; Y1063-K1067 PolarHBondContact O-N 2.76Å; K1064-K1067 PolarHBondContact O-N 2.8Å; S1065-K1067 VanDerWaalsContact C-N 3.3Å; S1065-K1067 PolarHBondContact O-N 3.31Å; K1067-I1070 PolarHBondContact O-N 3.07Å; K1067-H1071 WeakPolarHBondContact CE-NE2 3.48Å; K1067-H1071 PolarHBondContact O-CD2 3.48Å; K1067-H1071 PolarHBondContact O-N 2.83Å; K1067-H1071 VanDerWaalsContact O-N 3.08Å |
| 1068 | L | 63.7 | Low | 58.8 | Low | 16 Ų | 16 | 57.4 Ų | 57.4 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 175.3 | -169.3 | 77.6 | 0 | 0 | 0 | 110.9 | T1017 W1020 K1064 S1065 I1070 H1071 L1072 | T1017-L1068 HydrophobicContact CG2-CD2 3.66Å; W1020-L1068 HydrophobicContact CE3-CD1 4.42Å; W1020-L1068 HydrophobicContact CH2-CD1 4.43Å; W1020-L1068 HydrophobicContact CZ3-CD1 3.75Å; K1064-L1068 PolarHBondContact O-N 2.84Å; K1064-L1068 VanDerWaalsContact O-N 3.08Å; S1065-L1068 WeakPolarHBondContact O-CB 3.37Å; S1065-L1068 PolarHBondContact O-N 2.93Å; S1065-L1068 VanDerWaalsContact O-N 3.07Å; L1068-I1070 VanDerWaalsContact C-N 3.32Å; L1068-I1070 PolarHBondContact O-N 2.94Å; L1068-H1071 PolarHBondContact O-N 2.82Å; L1068-L1072 HydrophobicContact CD2-CD1 4.2Å; L1068-L1072 HydrophobicContact CG-CD1 3.86Å; L1068-L1072 WeakPolarHBondContact O-CB 3.49Å; L1068-L1072 WeakPolarHBondContact O-CD1 3.25Å; L1068-L1072 PolarHBondContact O-N 3.26Å |
| 1069 | L | 64.3 | Low | 59.6 | Low | 13 Ų | 13 | 52.6 Ų | 52.6 | 7% | 0.068 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.6 | -37.9 | 176.3 | -76.4 | 153.3 | 0 | 0 | 0 | 112.6 | L1013 L1045 S1065 S1066 L1072 A1073 L1102 T1106 | L1013-L1069 HydrophobicContact CD2-CD1 4.16Å; L1045-L1069 HydrophobicContact CD1-CD2 3.44Å; L1045-L1069 VanDerWaalsContact CD1-CD2 3.44Å; L1045-L1069 HydrophobicContact CD1-CG 4.36Å; L1045-L1069 HydrophobicContact CD2-CD2 4Å; L1045-L1069 HydrophobicContact CG-CD2 4.4Å; S1065-L1069 WeakPolarHBondContact O-CD1 3.02Å; S1065-L1069 WeakPolarHBondContact O-CG 3.18Å; S1065-L1069 PolarHBondContact O-N 3.17Å; S1066-L1069 PolarHBondContact O-N 2.94Å; L1069-L1072 PolarHBondContact O-N 3.31Å; L1069-A1073 WeakPolarHBondContact O-CB 3.48Å; L1069-A1073 PolarHBondContact O-N 2.87Å; L1069-L1102 HydrophobicContact CD2-CD1 3.98Å; L1069-L1102 HydrophobicContact CD2-CD2 4.19Å; L1069-L1102 HydrophobicContact CD2-CG 4.14Å; L1069-T1106 HydrophobicContact CB-CG2 3.97Å; L1069-T1106 HydrophobicContact CD1-CG2 3.8Å; L1069-T1106 HydrophobicContact CD2-CG2 4.07Å; L1069-T1106 HydrophobicContact CG-CG2 4.17Å |
| 1070 | I | 64.6 | Low | 59.7 | Low | 38 Ų | 38 | 52.8 Ų | 52.8 | 20% | 0.195 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.4 | -48.1 | 172.7 | -71.2 | 161.9 | 0 | 0 | 0 | 111.4 | S1066 K1067 L1068 L1072 A1073 I1074 L1120 | S1066-I1070 WeakPolarHBondContact O-CD1 3.24Å; S1066-I1070 VanDerWaalsContact O-CG1 3.27Å; S1066-I1070 WeakPolarHBondContact O-CG1 3.35Å; S1066-I1070 PolarHBondContact O-N 2.76Å; K1067-I1070 PolarHBondContact O-N 3.07Å; L1068-I1070 VanDerWaalsContact C-N 3.32Å; L1068-I1070 PolarHBondContact O-N 2.94Å; I1070-L1072 VanDerWaalsContact C-N 3.28Å; I1070-L1072 PolarHBondContact O-N 3.07Å; I1070-A1073 PolarHBondContact O-N 2.82Å; I1070-I1074 HydrophobicContact CG2-CD1 3.79Å; I1070-I1074 VanDerWaalsContact O-CG1 3.29Å; I1070-I1074 WeakPolarHBondContact O-CG1 3.48Å; I1070-I1074 PolarHBondContact O-N 2.98Å; I1070-L1120 HydrophobicContact CD1-CD1 4.12Å; I1070-L1120 HydrophobicContact CD1-CD2 3.88Å; I1070-L1120 HydrophobicContact CD1-CG 3.91Å; I1070-L1120 HydrophobicContact CG1-CD2 3.61Å; I1070-L1120 HydrophobicContact CG1-CG 4.2Å |
| 1071 | H | 62.6 | Low | 59.2 | Low | 56 Ų | 56 | 53.9 Ų | 53.9 | 26% | 0.259 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63 | -35.2 | 177.7 | -75.6 | -75.8 | 0 | 0 | 0 | 112.1 | K1067 L1068 W1075 | K1067-H1071 WeakPolarHBondContact CE-NE2 3.48Å; K1067-H1071 PolarHBondContact O-CD2 3.48Å; K1067-H1071 PolarHBondContact O-N 2.83Å; K1067-H1071 VanDerWaalsContact O-N 3.08Å; L1068-H1071 PolarHBondContact O-N 2.82Å; H1071-W1075 WeakPolarHBondContact O-CB 3.13Å; H1071-W1075 PolarHBondContact O-N 3.11Å |
| 1072 | L | 63.7 | Low | 58 | Low | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 173.7 | -80.9 | 153.4 | 0 | 0 | 0 | 112.6 | L1038 A1041 L1042 L1045 L1068 L1069 I1070 I1074 W1075 L1076 | L1038-L1072 HydrophobicContact CD1-CD2 4.36Å; L1038-L1072 HydrophobicContact CD1-CG 4.37Å; L1038-L1072 HydrophobicContact CD2-CD2 3.76Å; L1038-L1072 HydrophobicContact CD2-CG 4.11Å; L1038-L1072 HydrophobicContact CG-CD2 3.62Å; L1038-L1072 HydrophobicContact CG-CG 4.11Å; A1041-L1072 HydrophobicContact CB-CD1 3.99Å; A1041-L1072 HydrophobicContact CB-CD2 4.14Å; A1041-L1072 HydrophobicContact CB-CG 4.49Å; L1042-L1072 HydrophobicContact CD2-CD2 3.71Å; L1042-L1072 HydrophobicContact CG-CD2 3.59Å; L1045-L1072 HydrophobicContact CD1-CD1 3.52Å; L1045-L1072 HydrophobicContact CG-CD1 4.19Å; L1068-L1072 HydrophobicContact CD2-CD1 4.2Å; L1068-L1072 HydrophobicContact CG-CD1 3.86Å; L1068-L1072 WeakPolarHBondContact O-CB 3.49Å; L1068-L1072 WeakPolarHBondContact O-CD1 3.25Å; L1068-L1072 PolarHBondContact O-N 3.26Å; L1069-L1072 PolarHBondContact O-N 3.31Å; I1070-L1072 VanDerWaalsContact C-N 3.28Å; I1070-L1072 PolarHBondContact O-N 3.07Å; L1072-I1074 VanDerWaalsContact C-N 3.34Å; L1072-I1074 PolarHBondContact O-N 3.32Å; L1072-W1075 PolarHBondContact O-N 3.49Å; L1072-L1076 WeakPolarHBondContact O-CG 3.37Å; L1072-L1076 PolarHBondContact O-N 3.26Å |
| 1073 | A | 63.8 | Low | 56.7 | Low | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1069 I1070 L1076 T1077 L1102 L1103 | L1069-A1073 WeakPolarHBondContact O-CB 3.48Å; L1069-A1073 PolarHBondContact O-N 2.87Å; I1070-A1073 PolarHBondContact O-N 2.82Å; A1073-L1076 PolarHBondContact O-N 3.18Å; A1073-T1077 WeakPolarHBondContact O-CG2 3.46Å; A1073-T1077 PolarHBondContact O-N 3.32Å; A1073-L1102 HydrophobicContact CB-CD2 4.3Å; A1073-L1103 HydrophobicContact CB-CD1 3.78Å; A1073-L1103 HydrophobicContact CB-CD2 4.22Å; A1073-L1103 HydrophobicContact CB-CG 3.77Å |
| 1074 | I | 65.3 | Low | 55.2 | Low | 59 Ų | 59 | 54.9 Ų | 54.9 | 30% | 0.303 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.2 | -50.7 | 175.6 | -69.2 | 165.8 | 0 | 0 | 0 | 110.4 | I1070 L1072 L1076 T1077 E1078 L1123 | I1070-I1074 HydrophobicContact CG2-CD1 3.79Å; I1070-I1074 VanDerWaalsContact O-CG1 3.29Å; I1070-I1074 WeakPolarHBondContact O-CG1 3.48Å; I1070-I1074 PolarHBondContact O-N 2.98Å; L1072-I1074 VanDerWaalsContact C-N 3.34Å; L1072-I1074 PolarHBondContact O-N 3.32Å; I1074-L1076 VanDerWaalsContact C-N 3.33Å; I1074-L1076 PolarHBondContact O-N 2.75Å; I1074-T1077 CarbonylContact O-C 3.57Å; I1074-T1077 WeakPolarHBondContact O-CA 3.49Å; I1074-T1077 PolarHBondContact O-N 3.48Å; I1074-T1077 PolarHBondContact O-OG1 2.78Å; I1074-E1078 HydrophobicContact CG2-CG 4.4Å; I1074-E1078 PolarHBondContact O-N 2.75Å; I1074-E1078 VanDerWaalsContact O-N 3.07Å; I1074-L1123 HydrophobicContact CG1-CD2 3.88Å |
| 1075 | W | 64.5 | Low | 53.6 | Low | 39 Ų | 39 | 58 Ų | 58 | 15% | 0.148 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.6 | -41.9 | 179.1 | -175.4 | 99 | 0 | 0 | 0 | 112.5 | L1038 L1042 H1071 L1072 T1077 E1078 I1079 | L1038-W1075 HydrophobicContact CD2-CB 3.24Å; L1038-W1075 VanDerWaalsContact CD2-CD1 3.45Å; L1038-W1075 HydrophobicContact CD2-CD2 3.74Å; L1038-W1075 HydrophobicContact CD2-CG 3.2Å; L1038-W1075 HydrophobicContact CG-CG 4.45Å; L1042-W1075 HydrophobicContact CD1-CE3 3.91Å; L1042-W1075 HydrophobicContact CD1-CH2 3.68Å; L1042-W1075 HydrophobicContact CD1-CZ3 3.33Å; H1071-W1075 WeakPolarHBondContact O-CB 3.13Å; H1071-W1075 PolarHBondContact O-N 3.11Å; L1072-W1075 PolarHBondContact O-N 3.49Å; W1075-T1077 PolarHBondContact O-N 3.07Å; W1075-E1078 PolarHBondContact O-N 3.41Å; W1075-E1078 VanDerWaalsContact O-N 3.08Å; W1075-I1079 HydrophobicContact CD2-CB 4.41Å; W1075-I1079 HydrophobicContact CD2-CD1 4.43Å; W1075-I1079 HydrophobicContact CD2-CG1 3.53Å; W1075-I1079 HydrophobicContact CE3-CB 4.3Å; W1075-I1079 HydrophobicContact CE3-CG1 3.91Å; W1075-I1079 HydrophobicContact CG-CG1 3.9Å; W1075-I1079 HydrophobicContact CH2-CG1 4.25Å; W1075-I1079 HydrophobicContact CH2-CG2 4.26Å; W1075-I1079 HydrophobicContact CZ2-CD1 4.17Å; W1075-I1079 HydrophobicContact CZ2-CG1 3.92Å; W1075-I1079 HydrophobicContact CZ3-CB 4.37Å; W1075-I1079 HydrophobicContact CZ3-CG1 4.22Å; W1075-I1079 HydrophobicContact CZ3-CG2 4.33Å; W1075-I1079 WeakPolarHBondContact O-CB 3.44Å; W1075-I1079 VanDerWaalsContact O-CG1 3.28Å; W1075-I1079 WeakPolarHBondContact O-CG1 3.46Å; W1075-I1079 PolarHBondContact O-N 2.79Å |
| 1076 | L | 61.7 | Low | 52.1 | Low | 17 Ų | 17 | 64.6 Ų | 64.6 | 9% | 0.089 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.4 | -23 | 174 | -72.1 | 169 | 0 | 0 | 0 | 113.3 | L1042 L1072 A1073 I1074 I1098 A1099 | L1042-L1076 HydrophobicContact CD2-CD1 4.4Å; L1042-L1076 HydrophobicContact CD2-CD2 4.32Å; L1072-L1076 WeakPolarHBondContact O-CG 3.37Å; L1072-L1076 PolarHBondContact O-N 3.26Å; A1073-L1076 PolarHBondContact O-N 3.18Å; I1074-L1076 VanDerWaalsContact C-N 3.33Å; I1074-L1076 PolarHBondContact O-N 2.75Å; L1076-I1098 HydrophobicContact CD1-CG2 4.34Å; L1076-A1099 HydrophobicContact CB-CB 4.04Å; L1076-A1099 HydrophobicContact CD1-CB 4.5Å |
| 1077 | T | 62.3 | Low | 50.7 | Low | 10 Ų | 10 | 71 Ų | 71 | 6% | 0.061 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -92.4 | -14.8 | 173.8 | 64.2 | 0 | 0 | 0 | 0 | 115 | F624 G625 A1073 I1074 W1075 A1099 L1127 | F624-T1077 HydrophobicContact CE1-CG2 4.29Å; F624-T1077 HydrophobicContact CZ-CG2 3.8Å; G625-T1077 WeakPolarHBondContact CA-O 3.22Å; A1073-T1077 WeakPolarHBondContact O-CG2 3.46Å; A1073-T1077 PolarHBondContact O-N 3.32Å; I1074-T1077 CarbonylContact O-C 3.57Å; I1074-T1077 WeakPolarHBondContact O-CA 3.49Å; I1074-T1077 PolarHBondContact O-N 3.48Å; I1074-T1077 PolarHBondContact O-OG1 2.78Å; W1075-T1077 PolarHBondContact O-N 3.07Å; T1077-A1099 HydrophobicContact CG2-CB 4.18Å; T1077-L1127 HydrophobicContact CG2-CD1 4.01Å; T1077-L1127 HydrophobicContact CG2-CD2 3.72Å; T1077-L1127 HydrophobicContact CG2-CG 4.01Å |
| 1078 | E | 56.4 | Low | 49.3 | Very low | 130 Ų | 130 | 73.7 Ų | 73.7 | 61% | 0.607 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -96.4 | -30.5 | 177.3 | -68.2 | -169.3 | 153.4 | 0 | 0 | 112.7 | I1074 W1075 | I1074-E1078 HydrophobicContact CG2-CG 4.4Å; I1074-E1078 PolarHBondContact O-N 2.75Å; I1074-E1078 VanDerWaalsContact O-N 3.07Å; W1075-E1078 PolarHBondContact O-N 3.41Å; W1075-E1078 VanDerWaalsContact O-N 3.08Å |
| 1079 | I | 53.1 | Low | 48.1 | Very low | 57 Ų | 57 | 79.3 Ų | 79.3 | 29% | 0.292 | 42% | 0.419 | S | S | . | . | trans | -84.4 | 118.3 | -174.2 | -67.6 | -74.6 | 0 | 0 | 0 | 112.2 | W1075 F1081 | W1075-I1079 HydrophobicContact CD2-CB 4.41Å; W1075-I1079 HydrophobicContact CD2-CD1 4.43Å; W1075-I1079 HydrophobicContact CD2-CG1 3.53Å; W1075-I1079 HydrophobicContact CE3-CB 4.3Å; W1075-I1079 HydrophobicContact CE3-CG1 3.91Å; W1075-I1079 HydrophobicContact CG-CG1 3.9Å; W1075-I1079 HydrophobicContact CH2-CG1 4.25Å; W1075-I1079 HydrophobicContact CH2-CG2 4.26Å; W1075-I1079 HydrophobicContact CZ2-CD1 4.17Å; W1075-I1079 HydrophobicContact CZ2-CG1 3.92Å; W1075-I1079 HydrophobicContact CZ3-CB 4.37Å; W1075-I1079 HydrophobicContact CZ3-CG1 4.22Å; W1075-I1079 HydrophobicContact CZ3-CG2 4.33Å; W1075-I1079 WeakPolarHBondContact O-CB 3.44Å; W1075-I1079 VanDerWaalsContact O-CG1 3.28Å; W1075-I1079 WeakPolarHBondContact O-CG1 3.46Å; W1075-I1079 PolarHBondContact O-N 2.79Å; I1079-F1081 HydrophobicContact CD1-CE2 4.19Å; I1079-F1081 HydrophobicContact CG2-CD2 3.46Å; I1079-F1081 VanDerWaalsContact CG2-CD2 3.46Å; I1079-F1081 HydrophobicContact CG2-CE2 4.01Å; I1079-F1081 HydrophobicContact CG2-CG 4.37Å | ||
| 1080 | R | 48 | Very low | 47 | Very low | 117 Ų | 117 | 85.7 Ų | 85.7 | 44% | 0.442 | 45% | 0.448 | S | S | . | . | trans | -121.2 | 90.8 | 160 | -90.1 | 174.1 | 137.4 | 179.4 | -9.7 | 109.1 | G625 I1082 N1092 | G625-R1080 WeakPolarHBondContact O-CD 3.38Å; G625-R1080 PolarHBondContact O-NH1 2.91Å; R1080-I1082 PolarHBondContact O-N 3.17Å; R1080-N1092 PolarHBondContact NE-OD1 3.07Å; R1080-N1092 PolarHBondContact NH2-OD1 2.92Å | ||
| 1081 | F | 37.3 | Very low | 46 | Very low | 143 Ų | 143 | 86 Ų | 86 | 63% | 0.627 | 45% | 0.454 | S | S | * | . | trans | -75.4 | 111.5 | 173.6 | -96.6 | -69.1 | 0 | 0 | 0 | 111.1 | I1079 G1083 | I1079-F1081 HydrophobicContact CD1-CE2 4.19Å; I1079-F1081 HydrophobicContact CG2-CD2 3.46Å; I1079-F1081 VanDerWaalsContact CG2-CD2 3.46Å; I1079-F1081 HydrophobicContact CG2-CE2 4.01Å; I1079-F1081 HydrophobicContact CG2-CG 4.37Å; F1081-G1083 PolarHBondContact O-N 3.08Å | ||
| 1082 | I | 27.4 | Very low | 45.1 | Very low | 113 Ų | 113 | 86 Ų | 86 | 58% | 0.579 | 46% | 0.456 | S | S | * | . | trans | 10.9 | 91.2 | 153.2 | -51.2 | 176.8 | 0 | 0 | 0 | 114.6 | S660 R1080 V1084 | S660-I1082 PolarHBondContact OG-O 3.21Å; R1080-I1082 PolarHBondContact O-N 3.17Å; I1082-V1084 HydrophobicContact CG2-CG2 3.74Å | ||
| 1083 | G | 29 | Very low | 44.5 | Very low | 74 Ų | 74 | 89.5 Ų | 89.5 | 76% | 0.763 | 47% | 0.471 | S | S | * | . | trans | -98.7 | 112.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | F1081 | F1081-G1083 PolarHBondContact O-N 3.08Š| ||
| 1084 | V | 26.8 | Very low | 44.3 | Very low | 120 Ų | 120 | 91.2 Ų | 91.2 | 73% | 0.727 | 48% | 0.48 | S | S | * | . | trans | -99.6 | 91.9 | 174.8 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | I1082 | I1082-V1084 HydrophobicContact CG2-CG2 3.74Š| ||
| 1085 | N | 27.4 | Very low | 44.2 | Very low | 136 Ų | 136 | 91.8 Ų | 91.8 | 73% | 0.727 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -166.9 | 166.2 | 144.7 | -92.2 | -29.8 | 0 | 0 | 0 | 108.5 | ||
| 1086 | N | 27 | Very low | 44.2 | Very low | 140 Ų | 140 | 91 Ų | 91 | 75% | 0.749 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -80.2 | 159.7 | 174.2 | -59.4 | -56.8 | 0 | 0 | 0 | 110.3 | D1088 | N1086-D1088 PolarHBondContact O-N 2.96Š|
| 1087 | D | 33.5 | Very low | 44.4 | Very low | 150 Ų | 150 | 92 Ų | 92 | 80% | 0.802 | 48% | 0.483 | S | S | * | . | S | Bend | trans | 81.9 | -24.7 | 167.7 | -49.6 | -34.5 | 0 | 0 | 0 | 118.7 | N1089 | D1087-N1089 PolarHBondContact O-N 2.86Å; D1087-N1089 PolarHBondContact O-ND2 3Å |
| 1088 | D | 32.9 | Very low | 44.6 | Very low | 120 Ų | 120 | 93.2 Ų | 93.2 | 64% | 0.642 | 49% | 0.489 | S | S | * | . | trans | -75.1 | 78.8 | -176.9 | -63.8 | -35.1 | 0 | 0 | 0 | 115.5 | N1086 E1090 S1091 | N1086-D1088 PolarHBondContact O-N 2.96Å; D1088-E1090 VanDerWaalsContact C-N 3.33Å; D1088-E1090 PolarHBondContact O-N 3Å; D1088-S1091 PolarHBondContact O-OG 3.05Å | ||
| 1089 | N | 39.8 | Very low | 45 | Very low | 133 Ų | 133 | 87 Ų | 87 | 71% | 0.711 | 46% | 0.46 | S | S | * | . | trans | -73.9 | -17.7 | 175.3 | -79.9 | -81.7 | 0 | 0 | 0 | 114.5 | D1087 N1092 | D1087-N1089 PolarHBondContact O-N 2.86Å; D1087-N1089 PolarHBondContact O-ND2 3Å; N1089-N1092 PolarHBondContact O-N 3.01Å | ||
| 1090 | E | 40.6 | Very low | 45.9 | Very low | 148 Ų | 148 | 84.3 Ų | 84.3 | 69% | 0.692 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -36.3 | -166.9 | -57.9 | -166.2 | 130 | 0 | 0 | 113.8 | D1088 N1092 K1093 | D1088-E1090 VanDerWaalsContact C-N 3.33Å; D1088-E1090 PolarHBondContact O-N 3Å; E1090-N1092 PolarHBondContact O-N 2.62Å; E1090-K1093 WeakPolarHBondContact O-CB 3.37Å; E1090-K1093 PolarHBondContact O-N 2.74Å |
| 1091 | S | 44 | Very low | 46.7 | Very low | 44 Ų | 44 | 80.6 Ų | 80.6 | 31% | 0.308 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -52.7 | -22.5 | 174.6 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | D1088 Y1095 | D1088-S1091 PolarHBondContact O-OG 3.05Å; S1091-Y1095 VanDerWaalsContact O-CD2 3.3Å; S1091-Y1095 WeakPolarHBondContact O-CD2 3.32Å; S1091-Y1095 WeakPolarHBondContact O-CE2 3.37Å |
| 1092 | N | 43 | Very low | 48.1 | Very low | 57 Ų | 57 | 75.3 Ų | 75.3 | 31% | 0.305 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -87 | -12.2 | -179.7 | -73.7 | -98 | 0 | 0 | 0 | 114.2 | R1080 N1089 E1090 N1096 | R1080-N1092 PolarHBondContact NE-OD1 3.07Å; R1080-N1092 PolarHBondContact NH2-OD1 2.92Å; N1089-N1092 PolarHBondContact O-N 3.01Å; E1090-N1092 PolarHBondContact O-N 2.62Å; N1092-N1096 PolarHBondContact O-ND2 2.93Å |
| 1093 | K | 51.4 | Low | 50.1 | Low | 72 Ų | 72 | 70 Ų | 70 | 31% | 0.313 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -73 | -50 | 175.7 | -67.9 | -176.6 | 162.3 | -172.6 | 0 | 110.6 | E1090 Y1095 N1096 L1097 E1134 E1135 | E1090-K1093 WeakPolarHBondContact O-CB 3.37Å; E1090-K1093 PolarHBondContact O-N 2.74Å; K1093-Y1095 PolarHBondContact O-N 2.87Å; K1093-N1096 PolarHBondContact O-N 3Å; K1093-L1097 PolarHBondContact O-N 3.26Å; K1093-E1134 IonicContact NZ-OE2 3.17Å; K1093-E1134 PolarHBondContact NZ-OE2 2.83Å; K1093-E1135 WeakPolarHBondContact CD-OE1 3.4Å; K1093-E1135 WeakPolarHBondContact CG-OE1 3.38Å |
| 1094 | N | 59.5 | Low | 51.9 | Low | 37 Ų | 37 | 67.4 Ų | 67.4 | 20% | 0.198 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.2 | -45.2 | -168.2 | -62.6 | 6.1 | 0 | 0 | 0 | 113.7 | Q668 N1096 L1097 I1098 | Q668-N1094 PolarHBondContact NE2-ND2 2.79Å; N1094-N1096 VanDerWaalsContact C-N 3.34Å; N1094-N1096 PolarHBondContact O-N 2.69Å; N1094-L1097 CarbonylContact O-C 3.59Å; N1094-L1097 WeakPolarHBondContact O-CA 3.44Å; N1094-L1097 WeakPolarHBondContact O-CB 3.46Å; N1094-L1097 PolarHBondContact O-N 2.84Å; N1094-I1098 HydrophobicContact CB-CD1 4.4Å; N1094-I1098 VanDerWaalsContact O-CG1 3.28Å; N1094-I1098 WeakPolarHBondContact O-CG1 3.32Å; N1094-I1098 PolarHBondContact O-N 3.37Å |
| 1095 | Y | 62.3 | Low | 53.4 | Low | 71 Ų | 71 | 66.1 Ų | 66.1 | 28% | 0.278 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.8 | -35.8 | -175.2 | -64.8 | -77 | 0 | 0 | 0 | 114.5 | I663 T664 S1091 K1093 I1098 A1099 | I663-Y1095 HydrophobicContact CG2-CE1 4.44Å; T664-Y1095 HydrophobicContact CG2-CE2 4.15Å; S1091-Y1095 VanDerWaalsContact O-CD2 3.3Å; S1091-Y1095 WeakPolarHBondContact O-CD2 3.32Å; S1091-Y1095 WeakPolarHBondContact O-CE2 3.37Å; K1093-Y1095 PolarHBondContact O-N 2.87Å; Y1095-I1098 HydrophobicContact CD1-CD1 4.49Å; Y1095-A1099 WeakPolarHBondContact O-CB 3.32Å; Y1095-A1099 PolarHBondContact O-N 2.83Å; Y1095-A1099 VanDerWaalsContact O-N 3.08Å |
| 1096 | N | 64.3 | Low | 55 | Low | 22 Ų | 22 | 60.2 Ų | 60.2 | 12% | 0.118 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.8 | -36.7 | 174.4 | -66.1 | -67.5 | 0 | 0 | 0 | 111.4 | N1092 K1093 N1094 A1099 F1100 L1127 L1131 | N1092-N1096 PolarHBondContact O-ND2 2.93Å; K1093-N1096 PolarHBondContact O-N 3Å; N1094-N1096 VanDerWaalsContact C-N 3.34Å; N1094-N1096 PolarHBondContact O-N 2.69Å; N1096-A1099 PolarHBondContact O-N 3.04Å; N1096-F1100 VanDerWaalsContact O-CB 3.3Å; N1096-F1100 WeakPolarHBondContact O-CB 3.42Å; N1096-F1100 PolarHBondContact O-N 2.9Å; N1096-L1127 HydrophobicContact CB-CD2 4.12Å; N1096-L1131 HydrophobicContact CB-CD2 4.07Å |
| 1097 | L | 66.5 | Low | 56.8 | Low | 37 Ų | 37 | 54.2 Ų | 54.2 | 19% | 0.194 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 176.8 | -164.6 | 68.6 | 0 | 0 | 0 | 111.4 | K1093 N1094 F1100 N1101 L1131 E1135 Q1139 | K1093-L1097 PolarHBondContact O-N 3.26Å; N1094-L1097 CarbonylContact O-C 3.59Å; N1094-L1097 WeakPolarHBondContact O-CA 3.44Å; N1094-L1097 WeakPolarHBondContact O-CB 3.46Å; N1094-L1097 PolarHBondContact O-N 2.84Å; L1097-F1100 PolarHBondContact O-N 2.97Å; L1097-N1101 WeakPolarHBondContact O-CB 3.24Å; L1097-N1101 PolarHBondContact O-N 3.48Å; L1097-N1101 PolarHBondContact O-ND2 3.29Å; L1097-L1131 HydrophobicContact CB-CD2 4.44Å; L1097-L1131 HydrophobicContact CD1-CD2 4.12Å; L1097-E1135 HydrophobicContact CD1-CB 4.33Å; L1097-E1135 HydrophobicContact CD1-CG 4.44Å; L1097-Q1139 HydrophobicContact CD1-CG 4.13Å |
| 1098 | I | 66.1 | Low | 58 | Low | 36 Ų | 36 | 50.6 Ų | 50.6 | 19% | 0.185 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.2 | -49.6 | 174 | -64 | 162 | 0 | 0 | 0 | 110.2 | E667 L1076 N1094 Y1095 F1100 N1101 L1102 | E667-I1098 WeakPolarHBondContact OE2-CD1 3.41Å; E667-I1098 WeakPolarHBondContact OE2-CG1 3.28Å; L1076-I1098 HydrophobicContact CD1-CG2 4.34Å; N1094-I1098 HydrophobicContact CB-CD1 4.4Å; N1094-I1098 VanDerWaalsContact O-CG1 3.28Å; N1094-I1098 WeakPolarHBondContact O-CG1 3.32Å; N1094-I1098 PolarHBondContact O-N 3.37Å; Y1095-I1098 HydrophobicContact CD1-CD1 4.49Å; I1098-F1100 VanDerWaalsContact C-N 3.34Å; I1098-F1100 PolarHBondContact O-N 2.94Å; I1098-N1101 PolarHBondContact O-N 3.43Å; I1098-L1102 WeakPolarHBondContact O-CB 3.39Å; I1098-L1102 PolarHBondContact O-N 2.69Å |
| 1099 | A | 65.4 | Low | 58.9 | Low | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.8 | -38.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1076 T1077 Y1095 N1096 L1103 L1127 | L1076-A1099 HydrophobicContact CB-CB 4.04Å; L1076-A1099 HydrophobicContact CD1-CB 4.5Å; T1077-A1099 HydrophobicContact CG2-CB 4.18Å; Y1095-A1099 WeakPolarHBondContact O-CB 3.32Å; Y1095-A1099 PolarHBondContact O-N 2.83Å; Y1095-A1099 VanDerWaalsContact O-N 3.08Å; N1096-A1099 PolarHBondContact O-N 3.04Å; A1099-L1103 WeakPolarHBondContact O-CB 3.28Å; A1099-L1103 PolarHBondContact O-N 3.25Å; A1099-L1127 HydrophobicContact CB-CD1 3.97Å; A1099-L1127 HydrophobicContact CB-CD2 4.15Å |
| 1100 | F | 71.6 | Confident | 59.7 | Low | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.3 | -42.8 | 175.1 | 178.1 | -94.2 | 0 | 0 | 0 | 112.6 | N1096 L1097 I1098 L1103 T1104 R1124 L1127 W1128 L1131 Q1139 F1149 | N1096-F1100 VanDerWaalsContact O-CB 3.3Å; N1096-F1100 WeakPolarHBondContact O-CB 3.42Å; N1096-F1100 PolarHBondContact O-N 2.9Å; L1097-F1100 PolarHBondContact O-N 2.97Å; I1098-F1100 VanDerWaalsContact C-N 3.34Å; I1098-F1100 PolarHBondContact O-N 2.94Å; F1100-L1103 PolarHBondContact O-N 2.96Å; F1100-T1104 WeakPolarHBondContact CZ-OG1 3.33Å; F1100-T1104 WeakPolarHBondContact O-CB 3.34Å; F1100-T1104 PolarHBondContact O-N 3.23Å; F1100-T1104 PolarHBondContact O-OG1 3.23Å; F1100-R1124 HydrophobicContact CD2-CG 4.2Å; F1100-R1124 HydrophobicContact CE2-CG 3.73Å; F1100-L1127 HydrophobicContact CD2-CB 4.31Å; F1100-W1128 HydrophobicContact CD2-CE3 4.44Å; F1100-W1128 HydrophobicContact CE1-CE3 4.13Å; F1100-W1128 HydrophobicContact CE1-CZ3 4.17Å; F1100-W1128 HydrophobicContact CE2-CB 4.2Å; F1100-W1128 HydrophobicContact CE2-CD2 4.49Å; F1100-W1128 AromaticContact CE2-CE3 3.63Å; F1100-W1128 HydrophobicContact CE2-CE3 3.63Å; F1100-W1128 HydrophobicContact CE2-CZ3 4.42Å; F1100-W1128 AromaticContact CZ-CE3 3.45Å; F1100-W1128 HydrophobicContact CZ-CE3 3.45Å; F1100-W1128 VanDerWaalsContact CZ-CE3 3.45Å; F1100-W1128 AromaticContact CZ-CZ3 3.78Å; F1100-W1128 HydrophobicContact CZ-CZ3 3.78Å; F1100-L1131 HydrophobicContact CD1-CD1 4.31Å; F1100-L1131 HydrophobicContact CD2-CD1 4.46Å; F1100-L1131 HydrophobicContact CG-CD1 4.15Å; F1100-Q1139 HydrophobicContact CE1-CG 4.28Å; F1100-F1149 HydrophobicContact CE2-CE2 4.42Å; F1100-F1149 HydrophobicContact CE2-CZ 4.34Å; F1100-F1149 HydrophobicContact CZ-CE2 4.08Å; F1100-F1149 HydrophobicContact CZ-CZ 4.41Å |
| 1101 | N | 66.2 | Low | 59.9 | Low | 39 Ų | 39 | 42.1 Ų | 42.1 | 21% | 0.209 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.4 | -42.6 | 176.5 | -73.3 | -11.3 | 0 | 0 | 0 | 111.4 | L1097 I1098 T1104 K1105 Q1139 | L1097-N1101 WeakPolarHBondContact O-CB 3.24Å; L1097-N1101 PolarHBondContact O-N 3.48Å; L1097-N1101 PolarHBondContact O-ND2 3.29Å; I1098-N1101 PolarHBondContact O-N 3.43Å; N1101-T1104 PolarHBondContact O-N 2.85Å; N1101-K1105 WeakPolarHBondContact O-CG 3.41Å; N1101-K1105 PolarHBondContact O-N 3.18Å; N1101-K1105 VanDerWaalsContact O-N 3.11Å; N1101-Q1139 PolarHBondContact OD1-NE2 2.74Å |
| 1102 | L | 65.9 | Low | 59.9 | Low | 32 Ų | 32 | 44 Ų | 44 | 17% | 0.168 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.9 | -55.5 | 174.1 | -167.1 | 82.9 | 0 | 0 | 0 | 110.3 | L1045 L1069 A1073 I1098 T1104 K1105 T1106 | L1045-L1102 HydrophobicContact CD1-CD1 4.36Å; L1069-L1102 HydrophobicContact CD2-CD1 3.98Å; L1069-L1102 HydrophobicContact CD2-CD2 4.19Å; L1069-L1102 HydrophobicContact CD2-CG 4.14Å; A1073-L1102 HydrophobicContact CB-CD2 4.3Å; I1098-L1102 WeakPolarHBondContact O-CB 3.39Å; I1098-L1102 PolarHBondContact O-N 2.69Å; L1102-T1104 VanDerWaalsContact C-N 3.33Å; L1102-T1104 PolarHBondContact O-N 3.06Å; L1102-K1105 PolarHBondContact O-N 2.91Å; L1102-T1106 WeakPolarHBondContact O-CG2 3.3Å; L1102-T1106 PolarHBondContact O-N 3.37Å |
| 1103 | L | 68.8 | Low | 60.2 | Low | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.1 | -40.5 | -179.6 | -86.6 | 161.9 | 0 | 0 | 0 | 112.9 | A1073 A1099 F1100 K1105 T1106 I1107 L1120 L1123 L1127 | A1073-L1103 HydrophobicContact CB-CD1 3.78Å; A1073-L1103 HydrophobicContact CB-CD2 4.22Å; A1073-L1103 HydrophobicContact CB-CG 3.77Å; A1099-L1103 WeakPolarHBondContact O-CB 3.28Å; A1099-L1103 PolarHBondContact O-N 3.25Å; F1100-L1103 PolarHBondContact O-N 2.96Å; L1103-K1105 PolarHBondContact O-N 3.42Å; L1103-T1106 WeakPolarHBondContact CA-OG1 3.48Å; L1103-T1106 PolarHBondContact O-N 2.96Å; L1103-T1106 PolarHBondContact O-OG1 2.86Å; L1103-I1107 WeakPolarHBondContact O-CB 3.15Å; L1103-I1107 WeakPolarHBondContact O-CD1 3.48Å; L1103-I1107 VanDerWaalsContact O-CG1 3.3Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.16Å; L1103-I1107 PolarHBondContact O-N 3.26Å; L1103-L1120 HydrophobicContact CD2-CD2 3.49Å; L1103-L1120 VanDerWaalsContact CD2-CD2 3.49Å; L1103-L1123 HydrophobicContact CD1-CD2 3.88Å; L1103-L1123 HydrophobicContact CD1-CG 3.87Å; L1103-L1123 HydrophobicContact CD2-CD2 4.36Å; L1103-L1127 HydrophobicContact CD1-CD1 3.39Å |
| 1104 | T | 66.8 | Low | 60 | Low | 19 Ų | 19 | 50.5 Ų | 50.5 | 12% | 0.117 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 179.2 | -61 | 0 | 0 | 0 | 0 | 111.2 | F1100 N1101 L1102 T1106 I1107 S1108 | F1100-T1104 WeakPolarHBondContact CZ-OG1 3.33Å; F1100-T1104 WeakPolarHBondContact O-CB 3.34Å; F1100-T1104 PolarHBondContact O-N 3.23Å; F1100-T1104 PolarHBondContact O-OG1 3.23Å; N1101-T1104 PolarHBondContact O-N 2.85Å; L1102-T1104 VanDerWaalsContact C-N 3.33Å; L1102-T1104 PolarHBondContact O-N 3.06Å; T1104-T1106 PolarHBondContact O-N 3.3Å; T1104-I1107 PolarHBondContact O-N 3.42Å; T1104-S1108 PolarHBondContact O-N 3.23Å; T1104-S1108 PolarHBondContact O-OG 3.11Å |
| 1105 | K | 59.4 | Low | 59.7 | Low | 93 Ų | 93 | 56.2 Ų | 56.2 | 40% | 0.404 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.8 | -29 | 176 | -65.5 | -167.5 | 179.4 | -157.8 | 0 | 113.6 | N1101 L1102 L1103 S1108 T1109 E1144 | N1101-K1105 WeakPolarHBondContact O-CG 3.41Å; N1101-K1105 PolarHBondContact O-N 3.18Å; N1101-K1105 VanDerWaalsContact O-N 3.11Å; L1102-K1105 PolarHBondContact O-N 2.91Å; L1103-K1105 PolarHBondContact O-N 3.42Å; K1105-S1108 PolarHBondContact O-OG 3.31Å; K1105-S1108 VanDerWaalsContact O-OG 3.06Å; K1105-T1109 PolarHBondContact O-OG1 3.16Å; K1105-E1144 VanDerWaalsContact CE-CD 3.46Å; K1105-E1144 WeakPolarHBondContact CE-OE1 3.46Å; K1105-E1144 WeakPolarHBondContact CE-OE2 3.36Å; K1105-E1144 VanDerWaalsContact NZ-CD 3.29Å; K1105-E1144 IonicContact NZ-OE1 3.91Å; K1105-E1144 PolarHBondContact NZ-OE1 3.31Å; K1105-E1144 IonicContact NZ-OE2 2.73Å; K1105-E1144 PolarHBondContact NZ-OE2 3.21Å; K1105-E1144 VanDerWaalsContact NZ-OE2 3.15Å |
| 1106 | T | 60.7 | Low | 59.3 | Low | 12 Ų | 12 | 55.5 Ų | 55.5 | 7% | 0.074 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -72.3 | -34.6 | 169.7 | 62.2 | 0 | 0 | 0 | 0 | 113.6 | L1069 L1102 L1103 T1104 T1109 I1110 | L1069-T1106 HydrophobicContact CB-CG2 3.97Å; L1069-T1106 HydrophobicContact CD1-CG2 3.8Å; L1069-T1106 HydrophobicContact CD2-CG2 4.07Å; L1069-T1106 HydrophobicContact CG-CG2 4.17Å; L1102-T1106 WeakPolarHBondContact O-CG2 3.3Å; L1102-T1106 PolarHBondContact O-N 3.37Å; L1103-T1106 WeakPolarHBondContact CA-OG1 3.48Å; L1103-T1106 PolarHBondContact O-N 2.96Å; L1103-T1106 PolarHBondContact O-OG1 2.86Å; T1104-T1106 PolarHBondContact O-N 3.3Å; T1106-T1109 PolarHBondContact O-N 3.44Å; T1106-T1109 PolarHBondContact O-OG1 3.08Å; T1106-I1110 WeakPolarHBondContact O-CD1 3.48Å; T1106-I1110 VanDerWaalsContact O-CG1 3.28Å; T1106-I1110 WeakPolarHBondContact O-CG1 3.28Å; T1106-I1110 PolarHBondContact O-N 3.04Å |
| 1107 | I | 64.7 | Low | 59 | Low | 15 Ų | 15 | 56 Ų | 56 | 8% | 0.077 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -79.2 | -26.2 | -177.7 | -68.3 | 161.7 | 0 | 0 | 0 | 111.2 | L1103 T1104 T1109 L1120 R1124 | L1103-I1107 WeakPolarHBondContact O-CB 3.15Å; L1103-I1107 WeakPolarHBondContact O-CD1 3.48Å; L1103-I1107 VanDerWaalsContact O-CG1 3.3Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.16Å; L1103-I1107 PolarHBondContact O-N 3.26Å; T1104-I1107 PolarHBondContact O-N 3.42Å; I1107-T1109 PolarHBondContact O-N 3.47Å; I1107-L1120 HydrophobicContact CD1-CB 4.14Å; I1107-L1120 HydrophobicContact CD1-CD2 4.29Å; I1107-L1120 HydrophobicContact CG1-CB 4.29Å; I1107-L1120 HydrophobicContact CG1-CD2 4.19Å; I1107-R1124 HydrophobicContact CD1-CB 3.95Å; I1107-R1124 HydrophobicContact CD1-CG 4.41Å |
| 1108 | S | 57.5 | Low | 58.9 | Low | 73 Ų | 73 | 59.3 Ų | 59.3 | 51% | 0.51 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -6.4 | 172.5 | 61.5 | 0 | 0 | 0 | 0 | 114.6 | T1104 K1105 | T1104-S1108 PolarHBondContact O-N 3.23Å; T1104-S1108 PolarHBondContact O-OG 3.11Å; K1105-S1108 PolarHBondContact O-OG 3.31Å; K1105-S1108 VanDerWaalsContact O-OG 3.06Å |
| 1109 | T | 53.5 | Low | 58.7 | Low | 45 Ų | 45 | 64.5 Ų | 64.5 | 28% | 0.276 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | -6.8 | -171.9 | 48.5 | 0 | 0 | 0 | 0 | 114.2 | Y1061 K1105 T1106 I1107 | Y1061-T1109 WeakPolarHBondContact CD2-OG1 3.2Å; Y1061-T1109 HydrophobicContact CE2-CG2 4.04Å; Y1061-T1109 WeakPolarHBondContact CE2-OG1 3.45Å; K1105-T1109 PolarHBondContact O-OG1 3.16Å; T1106-T1109 PolarHBondContact O-N 3.44Å; T1106-T1109 PolarHBondContact O-OG1 3.08Å; I1107-T1109 PolarHBondContact O-N 3.47Å |
| 1110 | I | 56.4 | Low | 58.7 | Low | 30 Ų | 30 | 64.8 Ų | 64.8 | 15% | 0.154 | 33% | 0.334 | C | S | . | . | trans | -98.3 | 96.4 | 170.3 | -58.8 | 162 | 0 | 0 | 0 | 108.1 | T1106 M1117 L1120 | T1106-I1110 WeakPolarHBondContact O-CD1 3.48Å; T1106-I1110 VanDerWaalsContact O-CG1 3.28Å; T1106-I1110 WeakPolarHBondContact O-CG1 3.28Å; T1106-I1110 PolarHBondContact O-N 3.04Å; I1110-M1117 HydrophobicContact CB-CE 3.84Å; I1110-M1117 HydrophobicContact CG2-CE 3.82Å; I1110-M1117 WeakPolarHBondContact O-CE 3.13Å; I1110-L1120 HydrophobicContact CD1-CD1 4.26Å | ||
| 1111 | E | 44.8 | Very low | 58.5 | Low | 148 Ų | 148 | 67 Ų | 67 | 69% | 0.692 | 35% | 0.345 | S | S | * | . | trans | -77.4 | 135.4 | 154.4 | -65.3 | -155.2 | 133.9 | 0 | 0 | 109 | ||||
| 1112 | L | 42.7 | Very low | 58.6 | Low | 85 Ų | 85 | 66.1 Ų | 66.1 | 45% | 0.445 | 34% | 0.34 | S | S | . | . | trans | 88.6 | 165.7 | 164.4 | -53.2 | 141.4 | 0 | 0 | 0 | 119 | Y956 | Y956-L1112 HydrophobicContact CE2-CD1 3.93Å; Y956-L1112 WeakPolarHBondContact OH-CD1 3.06Å; Y956-L1112 WeakPolarHBondContact OH-CD2 2.99Å | ||
| 1113 | Y | 50.3 | Low | 58.8 | Low | 159 Ų | 159 | 65.7 Ų | 65.7 | 62% | 0.624 | 34% | 0.338 | S | S | * | . | trans | 72.2 | 123.9 | -175.3 | -59.8 | -82 | 0 | 0 | 0 | 117.4 | ||||
| 1114 | S | 47.3 | Very low | 59 | Low | 106 Ų | 106 | 67.3 Ų | 67.3 | 74% | 0.741 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 25.7 | -149.7 | 61.6 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1115 | Q | 51.9 | Low | 59.4 | Low | 156 Ų | 156 | 67.2 Ų | 67.2 | 73% | 0.729 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.7 | -47.5 | 176 | -71.7 | -172.9 | -13.8 | 0 | 0 | 113.2 | M1117 N1118 | Q1115-M1117 VanDerWaalsContact C-N 3.28Å; Q1115-M1117 PolarHBondContact O-N 3.41Å; Q1115-N1118 PolarHBondContact O-N 3.35Å |
| 1116 | T | 53.7 | Low | 59.9 | Low | 57 Ų | 57 | 68.7 Ų | 68.7 | 35% | 0.35 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.7 | -39.2 | 173.4 | 39.9 | 0 | 0 | 0 | 0 | 112.2 | Y1063 N1118 H1119 L1120 | Y1063-T1116 HydrophobicContact CE2-CG2 4.15Å; T1116-N1118 VanDerWaalsContact C-N 3.26Å; T1116-N1118 PolarHBondContact O-N 3.06Å; T1116-H1119 PolarHBondContact O-N 2.98Å; T1116-H1119 VanDerWaalsContact O-N 3.11Å; T1116-L1120 PolarHBondContact O-N 2.92Å |
| 1117 | M | 58.8 | Low | 60.5 | Low | 32 Ų | 32 | 68.1 Ų | 68.1 | 16% | 0.158 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -53.2 | -38.7 | 175.9 | -89.2 | -63.6 | -169.9 | 0 | 0 | 113.7 | I1110 Q1115 H1119 L1120 I1121 | I1110-M1117 HydrophobicContact CB-CE 3.84Å; I1110-M1117 HydrophobicContact CG2-CE 3.82Å; I1110-M1117 WeakPolarHBondContact O-CE 3.13Å; Q1115-M1117 VanDerWaalsContact C-N 3.28Å; Q1115-M1117 PolarHBondContact O-N 3.41Å; M1117-H1119 VanDerWaalsContact C-N 3.34Å; M1117-H1119 PolarHBondContact O-N 2.94Å; M1117-L1120 PolarHBondContact O-N 3.38Å; M1117-L1120 HydrophobicContact SD-CD1 4.26Å; M1117-I1121 WeakPolarHBondContact O-CB 3.16Å; M1117-I1121 WeakPolarHBondContact O-CD1 3.29Å; M1117-I1121 WeakPolarHBondContact O-CG1 3.29Å; M1117-I1121 PolarHBondContact O-N 3.49Å |
| 1118 | N | 63.6 | Low | 61 | Low | 107 Ų | 107 | 67.7 Ų | 67.7 | 57% | 0.572 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.5 | -37.6 | -179.5 | -63.7 | -34.4 | 0 | 0 | 0 | 111.7 | Q1115 T1116 D1122 | Q1115-N1118 PolarHBondContact O-N 3.35Å; T1116-N1118 VanDerWaalsContact C-N 3.26Å; T1116-N1118 PolarHBondContact O-N 3.06Å; N1118-D1122 WeakPolarHBondContact O-CB 3.37Å; N1118-D1122 PolarHBondContact O-N 3.18Å |
| 1119 | H | 63 | Low | 61.8 | Low | 144 Ų | 144 | 67.1 Ų | 67.1 | 67% | 0.667 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -73.2 | -37.5 | 175.3 | -67.1 | -70.6 | 0 | 0 | 0 | 112.5 | T1116 M1117 L1123 | T1116-H1119 PolarHBondContact O-N 2.98Å; T1116-H1119 VanDerWaalsContact O-N 3.11Å; M1117-H1119 VanDerWaalsContact C-N 3.34Å; M1117-H1119 PolarHBondContact O-N 2.94Å; H1119-L1123 WeakPolarHBondContact O-CB 3.31Å; H1119-L1123 PolarHBondContact O-N 2.88Å |
| 1120 | L | 64.9 | Low | 62.5 | Low | 7 Ų | 7 | 67.1 Ų | 67.1 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 172.1 | -89.1 | 165.1 | 0 | 0 | 0 | 111.9 | I1070 L1103 I1107 I1110 T1116 M1117 L1123 R1124 | I1070-L1120 HydrophobicContact CD1-CD1 4.12Å; I1070-L1120 HydrophobicContact CD1-CD2 3.88Å; I1070-L1120 HydrophobicContact CD1-CG 3.91Å; I1070-L1120 HydrophobicContact CG1-CD2 3.61Å; I1070-L1120 HydrophobicContact CG1-CG 4.2Å; L1103-L1120 HydrophobicContact CD2-CD2 3.49Å; L1103-L1120 VanDerWaalsContact CD2-CD2 3.49Å; I1107-L1120 HydrophobicContact CD1-CB 4.14Å; I1107-L1120 HydrophobicContact CD1-CD2 4.29Å; I1107-L1120 HydrophobicContact CG1-CB 4.29Å; I1107-L1120 HydrophobicContact CG1-CD2 4.19Å; I1110-L1120 HydrophobicContact CD1-CD1 4.26Å; T1116-L1120 PolarHBondContact O-N 2.92Å; M1117-L1120 PolarHBondContact O-N 3.38Å; M1117-L1120 HydrophobicContact SD-CD1 4.26Å; L1120-L1123 PolarHBondContact O-N 3.25Å; L1120-R1124 WeakPolarHBondContact O-CB 3.38Å; L1120-R1124 PolarHBondContact O-N 2.72Å |
| 1121 | I | 67.7 | Low | 63.2 | Low | 45 Ų | 45 | 66.2 Ų | 66.2 | 23% | 0.231 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.3 | -41.4 | -179.2 | -68.9 | 164.5 | 0 | 0 | 0 | 110.9 | M1117 H1125 P1152 | M1117-I1121 WeakPolarHBondContact O-CB 3.16Å; M1117-I1121 WeakPolarHBondContact O-CD1 3.29Å; M1117-I1121 WeakPolarHBondContact O-CG1 3.29Å; M1117-I1121 PolarHBondContact O-N 3.49Å; I1121-H1125 WeakPolarHBondContact O-CB 3.42Å; I1121-H1125 PolarHBondContact O-N 3.3Å; I1121-P1152 HydrophobicContact CG2-CB 4.02Å; I1121-P1152 HydrophobicContact CG2-CG 4.02Å |
| 1122 | D | 68.8 | Low | 64.3 | Low | 21 Ų | 21 | 60.7 Ų | 60.7 | 11% | 0.112 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 172.6 | -178.6 | 24 | 0 | 0 | 0 | 111.7 | N1118 H1125 R1126 | N1118-D1122 WeakPolarHBondContact O-CB 3.37Å; N1118-D1122 PolarHBondContact O-N 3.18Å; D1122-H1125 WeakPolarHBondContact O-CB 3.12Å; D1122-H1125 PolarHBondContact O-N 3.37Å; D1122-R1126 WeakPolarHBondContact O-CB 3.33Å; D1122-R1126 VanDerWaalsContact O-CG 3.24Å; D1122-R1126 WeakPolarHBondContact O-CG 3.37Å; D1122-R1126 PolarHBondContact O-N 3.07Å; D1122-R1126 IonicContact OD1-CZ 3.94Å; D1122-R1126 IonicContact OD1-NE 3.18Å; D1122-R1126 PolarHBondContact OD1-NE 3.45Å; D1122-R1126 IonicContact OD1-NH2 2.67Å; D1122-R1126 IonicContact OD2-CZ 2.76Å; D1122-R1126 IonicContact OD2-NE 3.95Å; D1122-R1126 PolarHBondContact OD2-NE 3.03Å; D1122-R1126 VanDerWaalsContact OD2-NE 3.1Å; D1122-R1126 IonicContact OD2-NH2 3.17Å; D1122-R1126 PolarHBondContact OD2-NH2 3.19Å |
| 1123 | L | 69.8 | Low | 65.3 | Low | 24 Ų | 24 | 62.8 Ų | 62.8 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 176 | -173.7 | 62 | 0 | 0 | 0 | 112.3 | F624 I1074 L1103 H1119 L1120 H1125 R1126 L1127 | F624-L1123 HydrophobicContact CE2-CD1 4.24Å; F624-L1123 HydrophobicContact CZ-CD1 4.4Å; I1074-L1123 HydrophobicContact CG1-CD2 3.88Å; L1103-L1123 HydrophobicContact CD1-CD2 3.88Å; L1103-L1123 HydrophobicContact CD1-CG 3.87Å; L1103-L1123 HydrophobicContact CD2-CD2 4.36Å; H1119-L1123 WeakPolarHBondContact O-CB 3.31Å; H1119-L1123 PolarHBondContact O-N 2.88Å; L1120-L1123 PolarHBondContact O-N 3.25Å; L1123-H1125 VanDerWaalsContact C-N 3.27Å; L1123-H1125 PolarHBondContact O-N 2.89Å; L1123-R1126 PolarHBondContact O-N 3.48Å; L1123-L1127 PolarHBondContact O-N 2.8Å |
| 1124 | R | 73.2 | Confident | 66 | Low | 36 Ų | 36 | 59.6 Ų | 59.6 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.1 | -40.9 | 172.5 | -177.3 | 177.9 | 66 | 179.4 | 1.4 | 111.2 | F1100 I1107 L1120 L1127 W1128 | F1100-R1124 HydrophobicContact CD2-CG 4.2Å; F1100-R1124 HydrophobicContact CE2-CG 3.73Å; I1107-R1124 HydrophobicContact CD1-CB 3.95Å; I1107-R1124 HydrophobicContact CD1-CG 4.41Å; L1120-R1124 WeakPolarHBondContact O-CB 3.38Å; L1120-R1124 PolarHBondContact O-N 2.72Å; R1124-L1127 PolarHBondContact O-N 3.47Å; R1124-W1128 WeakPolarHBondContact O-CB 3.46Å; R1124-W1128 PolarHBondContact O-N 2.94Å |
| 1125 | H | 74.1 | Confident | 66.7 | Low | 16 Ų | 16 | 55.1 Ų | 55.1 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68 | -40.9 | 178.9 | -173.9 | 65.9 | 0 | 0 | 0 | 112.8 | I1121 D1122 L1123 W1128 C1129 P1152 C1158 | I1121-H1125 WeakPolarHBondContact O-CB 3.42Å; I1121-H1125 PolarHBondContact O-N 3.3Å; D1122-H1125 WeakPolarHBondContact O-CB 3.12Å; D1122-H1125 PolarHBondContact O-N 3.37Å; L1123-H1125 VanDerWaalsContact C-N 3.27Å; L1123-H1125 PolarHBondContact O-N 2.89Å; H1125-W1128 PolarHBondContact O-N 3.16Å; H1125-C1129 WeakPolarHBondContact O-CB 3.28Å; H1125-C1129 PolarHBondContact O-N 3.31Å; H1125-C1129 PolarHBondContact O-SG 3.27Å; H1125-P1152 HydrophobicContact CB-CG 4.41Å; H1125-C1158 PolarHBondContact CE1-SG 2.92Å; H1125-C1158 PolarHBondContact NE2-SG 3.42Å |
| 1126 | R | 71.3 | Confident | 67.5 | Low | 124 Ų | 124 | 49 Ų | 49 | 47% | 0.468 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.5 | -38.9 | 174.3 | -71.1 | 167.9 | -171.9 | -144.2 | 8 | 112.1 | F624 D1122 L1123 N1130 | F624-R1126 HydrophobicContact CE2-CB 4.48Å; F624-R1126 HydrophobicContact CZ-CB 4.39Å; D1122-R1126 WeakPolarHBondContact O-CB 3.33Å; D1122-R1126 VanDerWaalsContact O-CG 3.24Å; D1122-R1126 WeakPolarHBondContact O-CG 3.37Å; D1122-R1126 PolarHBondContact O-N 3.07Å; D1122-R1126 IonicContact OD1-CZ 3.94Å; D1122-R1126 IonicContact OD1-NE 3.18Å; D1122-R1126 PolarHBondContact OD1-NE 3.45Å; D1122-R1126 IonicContact OD1-NH2 2.67Å; D1122-R1126 IonicContact OD2-CZ 2.76Å; D1122-R1126 IonicContact OD2-NE 3.95Å; D1122-R1126 PolarHBondContact OD2-NE 3.03Å; D1122-R1126 VanDerWaalsContact OD2-NE 3.1Å; D1122-R1126 IonicContact OD2-NH2 3.17Å; D1122-R1126 PolarHBondContact OD2-NH2 3.19Å; L1123-R1126 PolarHBondContact O-N 3.48Å; R1126-N1130 PolarHBondContact O-N 3.32Å; R1126-N1130 PolarHBondContact O-ND2 2.69Å |
| 1127 | L | 73.2 | Confident | 68 | Low | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65 | -50.1 | 173.5 | -95.1 | 162.6 | 0 | 0 | 0 | 111.8 | F624 T1077 N1096 A1099 F1100 L1103 L1123 R1124 C1129 N1130 L1131 | F624-L1127 HydrophobicContact CE1-CD2 4.39Å; F624-L1127 HydrophobicContact CE1-CG 4.37Å; F624-L1127 HydrophobicContact CZ-CG 4.16Å; T1077-L1127 HydrophobicContact CG2-CD1 4.01Å; T1077-L1127 HydrophobicContact CG2-CD2 3.72Å; T1077-L1127 HydrophobicContact CG2-CG 4.01Å; N1096-L1127 HydrophobicContact CB-CD2 4.12Å; A1099-L1127 HydrophobicContact CB-CD1 3.97Å; A1099-L1127 HydrophobicContact CB-CD2 4.15Å; F1100-L1127 HydrophobicContact CD2-CB 4.31Å; L1103-L1127 HydrophobicContact CD1-CD1 3.39Å; L1123-L1127 PolarHBondContact O-N 2.8Å; R1124-L1127 PolarHBondContact O-N 3.47Å; L1127-C1129 PolarHBondContact O-N 2.87Å; L1127-N1130 WeakPolarHBondContact O-CA 3.46Å; L1127-N1130 PolarHBondContact O-N 2.67Å; L1127-L1131 PolarHBondContact O-N 3.48Å; L1127-L1131 VanDerWaalsContact O-N 3.15Å |
| 1128 | W | 74.8 | Confident | 68.2 | Low | 7 Ų | 7 | 53.2 Ų | 53.2 | 3% | 0.027 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -52 | -44.5 | 174.3 | -176.9 | -96.8 | 0 | 0 | 0 | 112 | F1100 R1124 H1125 N1130 L1131 Q1136 Q1139 I1140 F1149 | F1100-W1128 HydrophobicContact CD2-CE3 4.44Å; F1100-W1128 HydrophobicContact CE1-CE3 4.13Å; F1100-W1128 HydrophobicContact CE1-CZ3 4.17Å; F1100-W1128 HydrophobicContact CE2-CB 4.2Å; F1100-W1128 HydrophobicContact CE2-CD2 4.49Å; F1100-W1128 AromaticContact CE2-CE3 3.63Å; F1100-W1128 HydrophobicContact CE2-CE3 3.63Å; F1100-W1128 HydrophobicContact CE2-CZ3 4.42Å; F1100-W1128 AromaticContact CZ-CE3 3.45Å; F1100-W1128 HydrophobicContact CZ-CE3 3.45Å; F1100-W1128 VanDerWaalsContact CZ-CE3 3.45Å; F1100-W1128 AromaticContact CZ-CZ3 3.78Å; F1100-W1128 HydrophobicContact CZ-CZ3 3.78Å; R1124-W1128 WeakPolarHBondContact O-CB 3.46Å; R1124-W1128 PolarHBondContact O-N 2.94Å; H1125-W1128 PolarHBondContact O-N 3.16Å; W1128-N1130 PolarHBondContact O-N 3.3Å; W1128-L1131 HydrophobicContact CE3-CD1 4.04Å; W1128-L1131 HydrophobicContact CZ3-CD1 4.48Å; W1128-L1131 PolarHBondContact O-N 2.79Å; W1128-Q1136 HydrophobicContact CD2-CG 4.3Å; W1128-Q1136 HydrophobicContact CH2-CB 4.15Å; W1128-Q1136 HydrophobicContact CH2-CG 4.28Å; W1128-Q1136 HydrophobicContact CZ2-CB 4.02Å; W1128-Q1136 HydrophobicContact CZ2-CG 3.97Å; W1128-Q1136 PolarHBondContact O-NE2 3.06Å; W1128-Q1139 HydrophobicContact CH2-CB 4.21Å; W1128-Q1139 HydrophobicContact CZ3-CB 3.9Å; W1128-Q1139 HydrophobicContact CZ3-CG 4.4Å; W1128-I1140 HydrophobicContact CH2-CD1 4.35Å; W1128-I1140 HydrophobicContact CH2-CG1 4.09Å; W1128-I1140 HydrophobicContact CZ2-CD1 4.3Å; W1128-I1140 HydrophobicContact CZ2-CG1 4.48Å; W1128-F1149 HydrophobicContact CB-CZ 4.15Å; W1128-F1149 HydrophobicContact CD2-CE1 4.19Å; W1128-F1149 HydrophobicContact CD2-CE2 4.31Å; W1128-F1149 AromaticContact CD2-CZ 3.63Å; W1128-F1149 HydrophobicContact CD2-CZ 3.63Å; W1128-F1149 HydrophobicContact CE3-CE2 4.1Å; W1128-F1149 AromaticContact CE3-CZ 3.81Å; W1128-F1149 HydrophobicContact CE3-CZ 3.81Å; W1128-F1149 HydrophobicContact CG-CE1 4.1Å; W1128-F1149 AromaticContact CG-CZ 3.8Å; W1128-F1149 HydrophobicContact CG-CZ 3.8Å; W1128-F1149 HydrophobicContact CZ3-CE2 4.32Å; W1128-F1149 HydrophobicContact CZ3-CZ 4.44Å |
| 1129 | C | 74.2 | Confident | 68.2 | Low | 61 Ų | 61 | 49 Ų | 49 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -2.8 | 177 | -63.4 | 0 | 0 | 0 | 0 | 115.2 | H1125 L1127 | H1125-C1129 WeakPolarHBondContact O-CB 3.28Å; H1125-C1129 PolarHBondContact O-N 3.31Å; H1125-C1129 PolarHBondContact O-SG 3.27Å; L1127-C1129 PolarHBondContact O-N 2.87Å |
| 1130 | N | 68.8 | Low | 68.1 | Low | 44 Ų | 44 | 47.7 Ų | 47.7 | 24% | 0.235 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -10.3 | 175.2 | -83.1 | -85.6 | 0 | 0 | 0 | 114.3 | F624 R627 R1126 L1127 W1128 | F624-N1130 HydrophobicContact CD1-CB 4.41Å; F624-N1130 WeakPolarHBondContact CD1-ND2 3.47Å; F624-N1130 HydrophobicContact CE1-CB 4.46Å; R627-N1130 PolarHBondContact NH1-OD1 3.19Å; R1126-N1130 PolarHBondContact O-N 3.32Å; R1126-N1130 PolarHBondContact O-ND2 2.69Å; L1127-N1130 WeakPolarHBondContact O-CA 3.46Å; L1127-N1130 PolarHBondContact O-N 2.67Å; W1128-N1130 PolarHBondContact O-N 3.3Å |
| 1131 | L | 70.6 | Confident | 67.5 | Low | 12 Ų | 12 | 54.1 Ų | 54.1 | 6% | 0.063 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -64.2 | 153.8 | 167 | -64.5 | 177.6 | 0 | 0 | 0 | 110.8 | N1096 L1097 F1100 L1127 W1128 E1135 Q1136 | N1096-L1131 HydrophobicContact CB-CD2 4.07Å; L1097-L1131 HydrophobicContact CB-CD2 4.44Å; L1097-L1131 HydrophobicContact CD1-CD2 4.12Å; F1100-L1131 HydrophobicContact CD1-CD1 4.31Å; F1100-L1131 HydrophobicContact CD2-CD1 4.46Å; F1100-L1131 HydrophobicContact CG-CD1 4.15Å; L1127-L1131 PolarHBondContact O-N 3.48Å; L1127-L1131 VanDerWaalsContact O-N 3.15Å; W1128-L1131 HydrophobicContact CE3-CD1 4.04Å; W1128-L1131 HydrophobicContact CZ3-CD1 4.48Å; W1128-L1131 PolarHBondContact O-N 2.79Å; L1131-E1135 WeakPolarHBondContact CA-OE2 3.46Å; L1131-E1135 HydrophobicContact CB-CB 4.01Å; L1131-E1135 HydrophobicContact CD2-CB 4.32Å; L1131-E1135 WeakPolarHBondContact CD2-OE2 3.28Å; L1131-Q1136 HydrophobicContact CB-CG 3.98Å |
| 1132 | S | 67.9 | Low | 66.8 | Low | 32 Ų | 32 | 54 Ų | 54 | 22% | 0.224 | 27% | 0.271 | C | S | . | . | trans | -72.1 | 164.6 | 169.6 | 76.2 | 0 | 0 | 0 | 0 | 112 | E1134 E1135 Q1136 | S1132-E1134 PolarHBondContact O-N 2.94Å; S1132-E1135 WeakPolarHBondContact CB-OE1 3.32Å; S1132-E1135 PolarHBondContact N-OE2 3.33Å; S1132-E1135 PolarHBondContact O-N 2.83Å; S1132-E1135 WeakPolarHBondContact OG-CG 3.25Å; S1132-E1135 PolarHBondContact OG-N 2.89Å; S1132-E1135 PolarHBondContact OG-OE1 3.36Å; S1132-Q1136 WeakPolarHBondContact O-CG 3.28Å; S1132-Q1136 PolarHBondContact O-N 2.95Å | ||
| 1133 | M | 63.2 | Low | 65.3 | Low | 128 Ų | 128 | 60 Ų | 60 | 63% | 0.631 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.2 | -34.8 | 174.8 | -70.9 | -74.4 | 176.2 | 0 | 0 | 111.7 | Q1137 | M1133-Q1137 WeakPolarHBondContact O-CB 3.26Å; M1133-Q1137 VanDerWaalsContact O-CG 3.24Å; M1133-Q1137 WeakPolarHBondContact O-CG 3.22Å; M1133-Q1137 PolarHBondContact O-N 3.45Å; M1133-Q1137 VanDerWaalsContact O-N 3.1Å; M1133-Q1137 PolarHBondContact O-OE1 2.79Å |
| 1134 | E | 64.4 | Low | 64.1 | Low | 92 Ų | 92 | 64 Ų | 64 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.6 | -50.4 | 173.8 | -65.6 | 140.4 | -141.6 | 0 | 0 | 110.8 | K1093 S1132 Q1137 Q1138 | K1093-E1134 IonicContact NZ-OE2 3.17Å; K1093-E1134 PolarHBondContact NZ-OE2 2.83Å; S1132-E1134 PolarHBondContact O-N 2.94Å; E1134-Q1137 PolarHBondContact O-N 3.09Å; E1134-Q1138 WeakPolarHBondContact O-CG 3.2Å; E1134-Q1138 PolarHBondContact O-N 2.66Å |
| 1135 | E | 63.9 | Low | 62.9 | Low | 13 Ų | 13 | 64.8 Ų | 64.8 | 6% | 0.061 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 178.2 | -73.7 | 140.7 | -126.2 | 0 | 0 | 111.9 | K1093 L1097 L1131 S1132 Q1137 Q1138 Q1139 | K1093-E1135 WeakPolarHBondContact CD-OE1 3.4Å; K1093-E1135 WeakPolarHBondContact CG-OE1 3.38Å; L1097-E1135 HydrophobicContact CD1-CB 4.33Å; L1097-E1135 HydrophobicContact CD1-CG 4.44Å; L1131-E1135 WeakPolarHBondContact CA-OE2 3.46Å; L1131-E1135 HydrophobicContact CB-CB 4.01Å; L1131-E1135 HydrophobicContact CD2-CB 4.32Å; L1131-E1135 WeakPolarHBondContact CD2-OE2 3.28Å; S1132-E1135 WeakPolarHBondContact CB-OE1 3.32Å; S1132-E1135 PolarHBondContact N-OE2 3.33Å; S1132-E1135 PolarHBondContact O-N 2.83Å; S1132-E1135 WeakPolarHBondContact OG-CG 3.25Å; S1132-E1135 PolarHBondContact OG-N 2.89Å; S1132-E1135 PolarHBondContact OG-OE1 3.36Å; E1135-Q1137 PolarHBondContact O-N 3.35Å; E1135-Q1138 PolarHBondContact O-N 2.82Å; E1135-Q1139 WeakPolarHBondContact O-CB 3.43Å; E1135-Q1139 VanDerWaalsContact O-CG 3.22Å; E1135-Q1139 WeakPolarHBondContact O-CG 3.33Å; E1135-Q1139 PolarHBondContact O-N 2.92Å |
| 1136 | Q | 66.8 | Low | 61.3 | Low | 27 Ų | 27 | 69.4 Ų | 69.4 | 13% | 0.126 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.6 | -35.1 | 175.6 | -73.8 | 177.6 | -0.6 | 0 | 0 | 111.8 | W1128 L1131 S1132 I1140 | W1128-Q1136 HydrophobicContact CD2-CG 4.3Å; W1128-Q1136 HydrophobicContact CH2-CB 4.15Å; W1128-Q1136 HydrophobicContact CH2-CG 4.28Å; W1128-Q1136 HydrophobicContact CZ2-CB 4.02Å; W1128-Q1136 HydrophobicContact CZ2-CG 3.97Å; W1128-Q1136 PolarHBondContact O-NE2 3.06Å; L1131-Q1136 HydrophobicContact CB-CG 3.98Å; S1132-Q1136 WeakPolarHBondContact O-CG 3.28Å; S1132-Q1136 PolarHBondContact O-N 2.95Å; Q1136-I1140 WeakPolarHBondContact O-CD1 3.46Å; Q1136-I1140 WeakPolarHBondContact O-CG1 3.24Å; Q1136-I1140 PolarHBondContact O-N 2.9Å |
| 1137 | Q | 64.5 | Low | 59.9 | Low | 48 Ų | 48 | 69.2 Ų | 69.2 | 22% | 0.224 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -82.4 | -36.3 | -178.7 | -73.2 | 168.3 | -20.8 | 0 | 0 | 113 | M1133 E1134 E1135 Q1139 I1140 L1141 N1679 | M1133-Q1137 WeakPolarHBondContact O-CB 3.26Å; M1133-Q1137 VanDerWaalsContact O-CG 3.24Å; M1133-Q1137 WeakPolarHBondContact O-CG 3.22Å; M1133-Q1137 PolarHBondContact O-N 3.45Å; M1133-Q1137 VanDerWaalsContact O-N 3.1Å; M1133-Q1137 PolarHBondContact O-OE1 2.79Å; E1134-Q1137 PolarHBondContact O-N 3.09Å; E1135-Q1137 PolarHBondContact O-N 3.35Å; Q1137-Q1139 VanDerWaalsContact C-N 3.26Å; Q1137-Q1139 PolarHBondContact O-N 2.81Å; Q1137-I1140 PolarHBondContact O-N 2.79Å; Q1137-L1141 WeakPolarHBondContact O-CB 3.43Å; Q1137-L1141 WeakPolarHBondContact O-CD1 3.41Å; Q1137-L1141 VanDerWaalsContact O-CG 3.27Å; Q1137-L1141 WeakPolarHBondContact O-CG 3.21Å; Q1137-L1141 PolarHBondContact O-N 3.27Å; Q1137-N1679 VanDerWaalsContact CD-CG 3.47Å; Q1137-N1679 PolarHBondContact NE2-O 2.69Å; Q1137-N1679 VanDerWaalsContact OE1-CG 3.26Å; Q1137-N1679 PolarHBondContact OE1-ND2 3.13Å |
| 1138 | Q | 64.4 | Low | 58.5 | Low | 129 Ų | 129 | 75 Ų | 75 | 60% | 0.603 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.3 | -38.8 | 168.3 | -71.7 | 174 | -4.5 | 0 | 0 | 111.1 | E1134 E1135 L1141 S1142 | E1134-Q1138 WeakPolarHBondContact O-CG 3.2Å; E1134-Q1138 PolarHBondContact O-N 2.66Å; E1135-Q1138 PolarHBondContact O-N 2.82Å; Q1138-L1141 PolarHBondContact O-N 2.78Å; Q1138-S1142 PolarHBondContact O-N 3.18Å; Q1138-S1142 VanDerWaalsContact O-N 3.15Å |
| 1139 | Q | 61.9 | Low | 57.4 | Low | 20 Ų | 20 | 76.6 Ų | 76.6 | 9% | 0.093 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.2 | -50.6 | 171.8 | -73.1 | -74.1 | -26.4 | 0 | 0 | 112 | L1097 F1100 N1101 W1128 E1135 Q1137 L1141 S1142 L1145 | L1097-Q1139 HydrophobicContact CD1-CG 4.13Å; F1100-Q1139 HydrophobicContact CE1-CG 4.28Å; N1101-Q1139 PolarHBondContact OD1-NE2 2.74Å; W1128-Q1139 HydrophobicContact CH2-CB 4.21Å; W1128-Q1139 HydrophobicContact CZ3-CB 3.9Å; W1128-Q1139 HydrophobicContact CZ3-CG 4.4Å; E1135-Q1139 WeakPolarHBondContact O-CB 3.43Å; E1135-Q1139 VanDerWaalsContact O-CG 3.22Å; E1135-Q1139 WeakPolarHBondContact O-CG 3.33Å; E1135-Q1139 PolarHBondContact O-N 2.92Å; Q1137-Q1139 VanDerWaalsContact C-N 3.26Å; Q1137-Q1139 PolarHBondContact O-N 2.81Å; Q1139-L1141 PolarHBondContact O-N 2.77Å; Q1139-S1142 WeakPolarHBondContact O-CB 3.44Å; Q1139-S1142 PolarHBondContact O-N 3.3Å; Q1139-S1142 PolarHBondContact O-OG 2.77Å; Q1139-L1145 HydrophobicContact CB-CD1 4.28Å; Q1139-L1145 WeakPolarHBondContact O-CD1 3.4Å |
| 1140 | I | 61.7 | Low | 56.2 | Low | 116 Ų | 116 | 79.2 Ų | 79.2 | 60% | 0.595 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -59.1 | -30.9 | 176.8 | -71.3 | 160.8 | 0 | 0 | 0 | 112.6 | W1128 Q1136 Q1137 | W1128-I1140 HydrophobicContact CH2-CD1 4.35Å; W1128-I1140 HydrophobicContact CH2-CG1 4.09Å; W1128-I1140 HydrophobicContact CZ2-CD1 4.3Å; W1128-I1140 HydrophobicContact CZ2-CG1 4.48Å; Q1136-I1140 WeakPolarHBondContact O-CD1 3.46Å; Q1136-I1140 WeakPolarHBondContact O-CG1 3.24Å; Q1136-I1140 PolarHBondContact O-N 2.9Å; Q1137-I1140 PolarHBondContact O-N 2.79Å |
| 1141 | L | 52.5 | Low | 55.3 | Low | 142 Ų | 142 | 77.9 Ų | 77.9 | 74% | 0.743 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -80.1 | -13.9 | 175.7 | -73.2 | 164.5 | 0 | 0 | 0 | 113.7 | Q1137 Q1138 Q1139 | Q1137-L1141 WeakPolarHBondContact O-CB 3.43Å; Q1137-L1141 WeakPolarHBondContact O-CD1 3.41Å; Q1137-L1141 VanDerWaalsContact O-CG 3.27Å; Q1137-L1141 WeakPolarHBondContact O-CG 3.21Å; Q1137-L1141 PolarHBondContact O-N 3.27Å; Q1138-L1141 PolarHBondContact O-N 2.78Å; Q1139-L1141 PolarHBondContact O-N 2.77Å |
| 1142 | S | 52.9 | Low | 54.5 | Low | 43 Ų | 43 | 79.8 Ų | 79.8 | 30% | 0.301 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -85.1 | 138.5 | 179.4 | 77.9 | 0 | 0 | 0 | 0 | 111.7 | Q1138 Q1139 E1144 | Q1138-S1142 PolarHBondContact O-N 3.18Å; Q1138-S1142 VanDerWaalsContact O-N 3.15Å; Q1139-S1142 WeakPolarHBondContact O-CB 3.44Å; Q1139-S1142 PolarHBondContact O-N 3.3Å; Q1139-S1142 PolarHBondContact O-OG 2.77Å; S1142-E1144 PolarHBondContact O-N 3.37Å; S1142-E1144 VanDerWaalsContact O-N 3.11Å |
| 1143 | T | 38.2 | Very low | 53.8 | Low | 146 Ų | 146 | 82.7 Ų | 82.7 | 90% | 0.896 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 5.6 | -171.9 | 45 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1144 | E | 43.8 | Very low | 52.9 | Low | 107 Ų | 107 | 81.3 Ų | 81.3 | 50% | 0.5 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -12.9 | -179.8 | -60.2 | -163.6 | 155.1 | 0 | 0 | 113.6 | K1105 S1142 S1146 | K1105-E1144 VanDerWaalsContact CE-CD 3.46Å; K1105-E1144 WeakPolarHBondContact CE-OE1 3.46Å; K1105-E1144 WeakPolarHBondContact CE-OE2 3.36Å; K1105-E1144 VanDerWaalsContact NZ-CD 3.29Å; K1105-E1144 IonicContact NZ-OE1 3.91Å; K1105-E1144 PolarHBondContact NZ-OE1 3.31Å; K1105-E1144 IonicContact NZ-OE2 2.73Å; K1105-E1144 PolarHBondContact NZ-OE2 3.21Å; K1105-E1144 VanDerWaalsContact NZ-OE2 3.15Å; S1142-E1144 PolarHBondContact O-N 3.37Å; S1142-E1144 VanDerWaalsContact O-N 3.11Å; E1144-S1146 VanDerWaalsContact C-N 3.33Å; E1144-S1146 PolarHBondContact O-N 2.83Å; E1144-S1146 VanDerWaalsContact O-N 3.08Å |
| 1145 | L | 47.5 | Very low | 51.9 | Low | 54 Ų | 54 | 85.9 Ų | 85.9 | 28% | 0.283 | 46% | 0.46 | S | S | . | . | trans | -86.4 | 63.6 | -179.3 | -87 | 150.1 | 0 | 0 | 0 | 112.9 | Q1139 F1149 | Q1139-L1145 HydrophobicContact CB-CD1 4.28Å; Q1139-L1145 WeakPolarHBondContact O-CD1 3.4Å; L1145-F1149 HydrophobicContact CD2-CD2 3.71Å; L1145-F1149 HydrophobicContact CD2-CE2 4.15Å | ||
| 1146 | S | 40.4 | Very low | 51.3 | Low | 112 Ų | 112 | 89.5 Ų | 89.5 | 78% | 0.783 | 48% | 0.479 | S | S | * | . | trans | -79.9 | -11.9 | -179.3 | 61.9 | 0 | 0 | 0 | 0 | 115.3 | E1144 | E1144-S1146 VanDerWaalsContact C-N 3.33Å; E1144-S1146 PolarHBondContact O-N 2.83Å; E1144-S1146 VanDerWaalsContact O-N 3.08Å | ||
| 1147 | Q | 42.5 | Very low | 50.2 | Low | 120 Ų | 120 | 92.9 Ų | 92.9 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -106.9 | 143.7 | 179.9 | -68.4 | -172.7 | -2.4 | 0 | 0 | 112.6 | F1149 | Q1147-F1149 PolarHBondContact O-N 2.79Š|
| 1148 | P | 44.2 | Very low | 49.3 | Very low | 122 Ų | 122 | 91.7 Ų | 91.7 | 79% | 0.792 | 49% | 0.492 | S | S | * | . | trans | -65.8 | 123.2 | 179.4 | 26.9 | -34.1 | 0 | 0 | 0 | 111.7 | L1150 | P1148-L1150 VanDerWaalsContact C-N 3.3Å; P1148-L1150 PolarHBondContact O-N 2.88Å | ||
| 1149 | F | 50.8 | Low | 48.6 | Very low | 40 Ų | 40 | 91.2 Ų | 91.2 | 18% | 0.175 | 49% | 0.489 | C | S | . | . | trans | -77.7 | 72.9 | -171.5 | -156.4 | -76.4 | 0 | 0 | 0 | 112 | F1100 W1128 L1145 Q1147 C1151 L1162 | F1100-F1149 HydrophobicContact CE2-CE2 4.42Å; F1100-F1149 HydrophobicContact CE2-CZ 4.34Å; F1100-F1149 HydrophobicContact CZ-CE2 4.08Å; F1100-F1149 HydrophobicContact CZ-CZ 4.41Å; W1128-F1149 HydrophobicContact CB-CZ 4.15Å; W1128-F1149 HydrophobicContact CD2-CE1 4.19Å; W1128-F1149 HydrophobicContact CD2-CE2 4.31Å; W1128-F1149 AromaticContact CD2-CZ 3.63Å; W1128-F1149 HydrophobicContact CD2-CZ 3.63Å; W1128-F1149 HydrophobicContact CE3-CE2 4.1Å; W1128-F1149 AromaticContact CE3-CZ 3.81Å; W1128-F1149 HydrophobicContact CE3-CZ 3.81Å; W1128-F1149 HydrophobicContact CG-CE1 4.1Å; W1128-F1149 AromaticContact CG-CZ 3.8Å; W1128-F1149 HydrophobicContact CG-CZ 3.8Å; W1128-F1149 HydrophobicContact CZ3-CE2 4.32Å; W1128-F1149 HydrophobicContact CZ3-CZ 4.44Å; L1145-F1149 HydrophobicContact CD2-CD2 3.71Å; L1145-F1149 HydrophobicContact CD2-CE2 4.15Å; Q1147-F1149 PolarHBondContact O-N 2.79Å; F1149-C1151 PolarHBondContact O-N 3.3Å; F1149-L1162 HydrophobicContact CB-CD2 3.91Å; F1149-L1162 HydrophobicContact CD1-CD1 3.37Å; F1149-L1162 HydrophobicContact CD1-CD2 3.84Å; F1149-L1162 HydrophobicContact CD1-CG 4.23Å; F1149-L1162 HydrophobicContact CE1-CD1 3.53Å; F1149-L1162 HydrophobicContact CG-CD1 4.41Å; F1149-L1162 HydrophobicContact CG-CD2 4.15Å | ||
| 1150 | L | 49.6 | Very low | 48.1 | Very low | 116 Ų | 116 | 91 Ų | 91 | 61% | 0.607 | 49% | 0.49 | S | S | * | . | trans | -69.3 | 124.7 | -175.5 | -155.1 | 76 | 0 | 0 | 0 | 111.6 | P1148 | P1148-L1150 VanDerWaalsContact C-N 3.3Å; P1148-L1150 PolarHBondContact O-N 2.88Å | ||
| 1151 | C | 49.4 | Very low | 47.4 | Very low | 16 Ų | 16 | 87.9 Ų | 87.9 | 11% | 0.108 | 49% | 0.487 | C | S | . | . | trans | -70.7 | 125.9 | 173.2 | -177 | 0 | 0 | 0 | 0 | 110 | F1149 Y1153 | F1149-C1151 PolarHBondContact O-N 3.3Å; C1151-Y1153 PolarHBondContact O-N 2.83Å | ||
| 1152 | P | 53.5 | Low | 47.1 | Very low | 52 Ų | 52 | 83.1 Ų | 83.1 | 34% | 0.338 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -70.4 | -8.8 | 179.4 | 29 | -35.9 | 0 | 0 | 0 | 113.8 | I1121 H1125 P1154 | I1121-P1152 HydrophobicContact CG2-CB 4.02Å; I1121-P1152 HydrophobicContact CG2-CG 4.02Å; H1125-P1152 HydrophobicContact CB-CG 4.41Å; P1152-P1154 VanDerWaalsContact C-CD 3.41Å; P1152-P1154 WeakPolarHBondContact O-CD 3.34Å |
| 1153 | Y | 53.9 | Low | 46.6 | Very low | 94 Ų | 94 | 84.1 Ų | 84.1 | 37% | 0.369 | 47% | 0.468 | S | S | . | . | trans | -122.5 | 61.5 | -176.9 | -57.7 | -63.4 | 0 | 0 | 0 | 112.7 | C1151 H1155 I1156 | C1151-Y1153 PolarHBondContact O-N 2.83Å; Y1153-H1155 PolarHBondContact O-N 3.16Å; Y1153-I1156 HydrophobicContact CD1-CD1 4.2Å; Y1153-I1156 HydrophobicContact CG-CD1 4.4Å; Y1153-I1156 PolarHBondContact O-N 3.39Å | ||
| 1154 | P | 44.4 | Very low | 46.6 | Very low | 99 Ų | 99 | 82.5 Ų | 82.5 | 64% | 0.643 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -22.7 | -179.1 | 28.2 | -35.6 | 0 | 0 | 0 | 113.7 | P1152 | P1152-P1154 VanDerWaalsContact C-CD 3.41Å; P1152-P1154 WeakPolarHBondContact O-CD 3.34Å |
| 1155 | H | 43.5 | Very low | 46.2 | Very low | 187 Ų | 187 | 81.1 Ų | 81.1 | 87% | 0.866 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 9.2 | 178.7 | -62.7 | -67.4 | 0 | 0 | 0 | 114.2 | Y1153 | Y1153-H1155 PolarHBondContact O-N 3.16Š|
| 1156 | I | 50.3 | Low | 45.3 | Very low | 90 Ų | 90 | 84.7 Ų | 84.7 | 46% | 0.462 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -126.8 | 131.7 | 173.1 | -52.5 | 177.7 | 0 | 0 | 0 | 106 | Y1153 C1158 L1630 | Y1153-I1156 HydrophobicContact CD1-CD1 4.2Å; Y1153-I1156 HydrophobicContact CG-CD1 4.4Å; Y1153-I1156 PolarHBondContact O-N 3.39Å; I1156-C1158 PolarHBondContact O-N 2.79Å; I1156-L1630 HydrophobicContact CG2-CD1 4.3Å; I1156-L1630 HydrophobicContact CG2-CD2 3.78Å |
| 1157 | Q | 45.1 | Very low | 44.7 | Very low | 98 Ų | 98 | 83.6 Ų | 83.6 | 46% | 0.458 | 47% | 0.468 | S | S | . | . | trans | -66.5 | 79.4 | 174.9 | -72.8 | 146.9 | -99.4 | 0 | 0 | 111 | H1159 P1629 L1630 | Q1157-H1159 PolarHBondContact O-N 3.3Å; Q1157-P1629 PolarHBondContact NE2-O 3.38Å; Q1157-P1629 VanDerWaalsContact NE2-O 3.12Å; Q1157-P1629 PolarHBondContact OE1-O 3.26Å; Q1157-L1630 HydrophobicContact CB-CB 3.71Å; Q1157-L1630 HydrophobicContact CB-CD1 3.95Å; Q1157-L1630 HydrophobicContact CB-CD2 4.42Å; Q1157-L1630 HydrophobicContact CB-CG 4.24Å; Q1157-L1630 HydrophobicContact CG-CB 4.35Å; Q1157-L1630 HydrophobicContact CG-CD1 4.32Å; Q1157-L1630 PolarHBondContact NE2-O 3.05Å | ||
| 1158 | C | 46 | Very low | 43.9 | Very low | 22 Ų | 22 | 82.9 Ų | 82.9 | 15% | 0.149 | 48% | 0.476 | C | S | . | . | trans | -63 | 125.9 | 168.6 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | H1125 I1156 C1160 S1163 | H1125-C1158 PolarHBondContact CE1-SG 2.92Å; H1125-C1158 PolarHBondContact NE2-SG 3.42Å; I1156-C1158 PolarHBondContact O-N 2.79Å; C1158-C1160 HydrophobicContact CB-CB 4.47Å; C1158-C1160 WeakPolarHBondContact CB-SG 3.22Å; C1158-C1160 PolarHBondContact O-N 3.2Å; C1158-C1160 WeakPolarHBondContact SG-CB 3.4Å; C1158-C1160 CovalentContact SG-SG 2.04Å; C1158-C1160 PolarHBondContact SG-SG 3.18Å; C1158-S1163 PolarHBondContact O-OG 3.22Å | ||
| 1159 | H | 49.7 | Very low | 43 | Very low | 119 Ų | 119 | 83.3 Ų | 83.3 | 55% | 0.551 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -74.1 | 1.5 | 176.9 | -104.6 | -78.6 | 0 | 0 | 0 | 114.5 | Q1157 G1161 N1632 | Q1157-H1159 PolarHBondContact O-N 3.3Å; H1159-G1161 PolarHBondContact O-N 3.22Å; H1159-N1632 PolarHBondContact CD2-N 3.17Å; H1159-N1632 VanDerWaalsContact CD2-N 3.28Å |
| 1160 | C | 49.6 | Very low | 41.8 | Very low | 16 Ų | 16 | 90.4 Ų | 90.4 | 11% | 0.108 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -67.7 | 9.8 | -174.7 | 50.9 | 0 | 0 | 0 | 0 | 115.9 | C1158 L1162 | C1158-C1160 HydrophobicContact CB-CB 4.47Å; C1158-C1160 WeakPolarHBondContact CB-SG 3.22Å; C1158-C1160 PolarHBondContact O-N 3.2Å; C1158-C1160 WeakPolarHBondContact SG-CB 3.4Å; C1158-C1160 CovalentContact SG-SG 2.04Å; C1158-C1160 PolarHBondContact SG-SG 3.18Å; C1160-L1162 HydrophobicContact CB-CD1 4.21Å; C1160-L1162 WeakPolarHBondContact O-CG 3.46Å; C1160-L1162 PolarHBondContact O-N 3.25Å |
| 1161 | G | 47.9 | Very low | 40.8 | Very low | 51 Ų | 51 | 92.5 Ų | 92.5 | 53% | 0.526 | 52% | 0.52 | S | S | . | . | S | Bend | trans | 72 | -41.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | H1159 S1163 K1164 | H1159-G1161 PolarHBondContact O-N 3.22Å; G1161-S1163 PolarHBondContact O-N 3.06Å; G1161-S1163 VanDerWaalsContact O-N 3.07Å; G1161-K1164 PolarHBondContact O-N 2.8Å; G1161-K1164 VanDerWaalsContact O-N 3.13Å |
| 1162 | L | 47 | Very low | 39.6 | Very low | 42 Ų | 42 | 100.6 Ų | 100.6 | 22% | 0.22 | 56% | 0.557 | C | S | . | * | G | 310 helix | trans | -56 | -24.1 | -175.7 | -67.6 | 151.2 | 0 | 0 | 0 | 114.8 | F1149 C1160 K1164 A1165 | F1149-L1162 HydrophobicContact CB-CD2 3.91Å; F1149-L1162 HydrophobicContact CD1-CD1 3.37Å; F1149-L1162 HydrophobicContact CD1-CD2 3.84Å; F1149-L1162 HydrophobicContact CD1-CG 4.23Å; F1149-L1162 HydrophobicContact CE1-CD1 3.53Å; F1149-L1162 HydrophobicContact CG-CD1 4.41Å; F1149-L1162 HydrophobicContact CG-CD2 4.15Å; C1160-L1162 HydrophobicContact CB-CD1 4.21Å; C1160-L1162 WeakPolarHBondContact O-CG 3.46Å; C1160-L1162 PolarHBondContact O-N 3.25Å; L1162-K1164 PolarHBondContact O-N 3.47Å; L1162-A1165 PolarHBondContact O-N 3.28Å |
| 1163 | S | 41.4 | Very low | 38.1 | Very low | 63 Ų | 63 | 103.5 Ų | 103.5 | 44% | 0.441 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -65 | -23.7 | 177.5 | 46.6 | 0 | 0 | 0 | 0 | 113.7 | C1158 G1161 | C1158-S1163 PolarHBondContact O-OG 3.22Å; G1161-S1163 PolarHBondContact O-N 3.06Å; G1161-S1163 VanDerWaalsContact O-N 3.07Å |
| 1164 | K | 37.2 | Very low | 36.7 | Very low | 113 Ų | 113 | 104 Ų | 104 | 49% | 0.491 | 60% | 0.596 | S | S | . | * | G | 310 helix | trans | -80.5 | -13.3 | 176.7 | -75.4 | -168.8 | 169.3 | -167.9 | 0 | 114.6 | G1161 L1162 N1166 S1167 Y1684 | G1161-K1164 PolarHBondContact O-N 2.8Å; G1161-K1164 VanDerWaalsContact O-N 3.13Å; L1162-K1164 PolarHBondContact O-N 3.47Å; K1164-N1166 PolarHBondContact O-N 2.94Å; K1164-S1167 PolarHBondContact O-OG 3.48Å; K1164-Y1684 PolarHBondContact NZ-OH 2.86Å |
| 1165 | A | 35.4 | Very low | 35.8 | Very low | 78 Ų | 78 | 107.4 Ų | 107.4 | 65% | 0.645 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -16.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1162 | L1162-A1165 PolarHBondContact O-N 3.28Š|
| 1166 | N | 29.9 | Very low | 34.9 | Very low | 128 Ų | 128 | 108.3 Ų | 108.3 | 68% | 0.684 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 2.1 | -173.2 | -71.7 | -5 | 0 | 0 | 0 | 114.3 | K1164 | K1164-N1166 PolarHBondContact O-N 2.94Š|
| 1167 | S | 27.3 | Very low | 33.7 | Very low | 90 Ų | 90 | 109.9 Ų | 109.9 | 63% | 0.629 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -93.3 | 127.3 | 168.4 | 49.5 | 0 | 0 | 0 | 0 | 110.1 | K1164 | K1164-S1167 PolarHBondContact O-OG 3.48Š|
| 1168 | S | 26.1 | Very low | 32.6 | Very low | 105 Ų | 105 | 114.1 Ų | 114.1 | 73% | 0.734 | 64% | 0.639 | S | S | * | * | trans | -65.9 | 157.5 | -172.8 | 55.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1169 | T | 25.7 | Very low | 31.7 | Very low | 131 Ų | 131 | 118.7 Ų | 118.7 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 66.1 | 72.8 | 166.4 | 63.9 | 0 | 0 | 0 | 0 | 118 | ||
| 1170 | E | 24.7 | Very low | 30.4 | Very low | 189 Ų | 189 | 118.3 Ų | 118.3 | 88% | 0.883 | 67% | 0.673 | S | S | * | * | trans | -161.2 | 176.9 | 141.2 | -115.6 | 162.2 | -149.3 | 0 | 0 | 111.1 | ||||
| 1171 | I | 28.9 | Very low | 29.2 | Very low | 159 Ų | 159 | 124.2 Ų | 124.2 | 82% | 0.815 | 70% | 0.704 | S | S | * | * | trans | 63.9 | 60.4 | -178 | -37.5 | -178.6 | 0 | 0 | 0 | 114.9 | ||||
| 1172 | Q | 23.3 | Very low | 28.1 | Very low | 187 Ų | 187 | 127.9 Ų | 127.9 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | trans | -93 | 145.3 | 138.1 | -80 | -168.8 | -21.2 | 0 | 0 | 108.9 | ||||
| 1173 | S | 23.2 | Very low | 27 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | trans | 64.8 | 139.2 | -167 | 78 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1174 | S | 24 | Very low | 26.2 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | cis | -139.5 | -174.4 | 22.6 | 60.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 1175 | L | 26.1 | Very low | 25.6 | Very low | 169 Ų | 169 | 140.2 Ų | 140.2 | 89% | 0.885 | 76% | 0.757 | S | S | * | * | trans | 71.3 | 58.8 | 173.3 | -69.3 | 158.8 | 0 | 0 | 0 | 118.1 | ||||
| 1176 | F | 24.1 | Very low | 25.1 | Very low | 206 Ų | 206 | 146.6 Ų | 146.6 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | trans | -85.8 | 149.5 | 144.3 | -112.7 | -96.1 | 0 | 0 | 0 | 109.8 | ||||
| 1177 | V | 24.3 | Very low | 24.7 | Very low | 123 Ų | 123 | 151.5 Ų | 151.5 | 75% | 0.745 | 78% | 0.776 | S | S | * | * | trans | 152.1 | 135.6 | 138.2 | 158 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1178 | K | 23.2 | Very low | 24.5 | Very low | 187 Ų | 187 | 156.2 Ų | 156.2 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | 77.9 | 127.8 | -176.5 | -62.5 | 159.5 | -176.9 | 177.5 | 0 | 114.5 | ||||
| 1179 | T | 25.9 | Very low | 24.5 | Very low | 119 Ų | 119 | 159.5 Ų | 159.5 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | cis | -150 | 108.6 | -0.5 | -0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1180 | T | 23.8 | Very low | 24.5 | Very low | 110 Ų | 110 | 160.8 Ų | 160.8 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | trans | 58.4 | 123.5 | 132.4 | 56.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1181 | N | 23.4 | Very low | 24.4 | Very low | 141 Ų | 141 | 160.7 Ų | 160.7 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | 80 | 136.1 | 147.9 | -53.6 | -18 | 0 | 0 | 0 | 117 | ||||
| 1182 | N | 25.1 | Very low | 24.1 | Very low | 128 Ų | 128 | 160.6 Ų | 160.6 | 68% | 0.684 | 78% | 0.784 | S | S | * | * | cis | -149.7 | 140.5 | 18.3 | -116.4 | -38.9 | 0 | 0 | 0 | 114.4 | ||||
| 1183 | K | 24.9 | Very low | 24.2 | Very low | 166 Ų | 166 | 158.4 Ų | 158.4 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | 69.1 | 97.2 | 148.1 | -63.6 | 173.2 | -176 | 177.6 | 0 | 121.9 | ||||
| 1184 | N | 23.8 | Very low | 24.1 | Very low | 119 Ų | 119 | 160.6 Ų | 160.6 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | 40.7 | 141.3 | 115.9 | -38.5 | -6.5 | 0 | 0 | 0 | 119.9 | |||||
| 1185 | Y | 24.4 | Very low | 24 | Very low | 191 Ų | 191 | 159.9 Ų | 159.9 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | cis | -162.9 | 157.2 | 46.2 | -106.2 | -69.6 | 0 | 0 | 0 | 115.1 | ||||
| 1186 | Y | 25.6 | Very low | 23.8 | Very low | 212 Ų | 212 | 160.7 Ų | 160.7 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | trans | 100.8 | 91.1 | 159.9 | -73.8 | -69.7 | 0 | 0 | 0 | 120.4 | ||||
| 1187 | Y | 21.5 | Very low | 23.7 | Very low | 232 Ų | 232 | 157.4 Ų | 157.4 | 91% | 0.91 | 76% | 0.756 | S | S | * | * | trans | -149.9 | 113.1 | 152.9 | -133.3 | -76.8 | 0 | 0 | 0 | 107.8 | ||||
| 1188 | Q | 23.4 | Very low | 23.7 | Very low | 188 Ų | 188 | 162.4 Ų | 162.4 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | trans | 161.7 | 115.4 | 156.6 | -97.3 | 178.7 | 3.1 | 0 | 0 | 111.7 | ||||
| 1189 | Q | 25.4 | Very low | 23.7 | Very low | 174 Ų | 174 | 159.2 Ų | 159.2 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | -152.8 | 112.6 | 119.4 | -116.3 | 177.2 | 30.4 | 0 | 0 | 112.3 | |||||
| 1190 | Q | 25.8 | Very low | 23.4 | Very low | 158 Ų | 158 | 156.7 Ų | 156.7 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | 55.6 | 104.4 | 144.4 | -65.1 | 174.2 | 5.8 | 0 | 0 | 119.8 | ||||
| 1191 | Q | 21.9 | Very low | 23.4 | Very low | 188 Ų | 188 | 158.6 Ų | 158.6 | 88% | 0.879 | 75% | 0.754 | S | S | * | * | trans | -47.1 | 140.9 | 142.2 | -56.9 | 159.8 | -23.5 | 0 | 0 | 110.8 | ||||
| 1192 | Q | 23.5 | Very low | 23.3 | Very low | 156 Ų | 156 | 157.3 Ų | 157.3 | 73% | 0.729 | 76% | 0.756 | S | S | * | * | trans | -155.5 | 113.3 | 140 | -121.8 | 166.9 | 75.3 | 0 | 0 | 113.9 | ||||
| 1193 | Q | 24.1 | Very low | 23.2 | Very low | 141 Ų | 141 | 158.6 Ų | 158.6 | 66% | 0.659 | 76% | 0.762 | S | S | * | * | trans | 69.9 | 133.6 | 141.8 | -70.7 | 172.9 | 25.5 | 0 | 0 | 122 | ||||
| 1194 | Q | 22.8 | Very low | 23.1 | Very low | 159 Ų | 159 | 161.5 Ų | 161.5 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | trans | 73.6 | 93.8 | 138.6 | -68.7 | 162 | 22.3 | 0 | 0 | 119.1 | ||||
| 1195 | S | 21.1 | Very low | 23.1 | Very low | 90 Ų | 90 | 164.7 Ų | 164.7 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | 35.1 | 125.4 | 119.8 | 59.4 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1196 | F | 21.9 | Very low | 22.9 | Very low | 186 Ų | 186 | 161.6 Ų | 161.6 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | -172.5 | 135.3 | 109.8 | -99.6 | -67.9 | 0 | 0 | 0 | 112.2 | |||||
| 1197 | N | 22.3 | Very low | 22.9 | Very low | 138 Ų | 138 | 158.8 Ų | 158.8 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | 22.9 | 126.8 | 153 | -57 | 2.5 | 0 | 0 | 0 | 121.5 | ||||
| 1198 | Y | 23.4 | Very low | 22.9 | Very low | 227 Ų | 227 | 155.8 Ų | 155.8 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | -56.1 | 148.8 | 143.4 | -70.8 | -89.4 | 0 | 0 | 0 | 110.3 | ||||
| 1199 | P | 23 | Very low | 22.9 | Very low | 121 Ų | 121 | 156.7 Ų | 156.7 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | -143.8 | -164.1 | 107.2 | 40.2 | -25.9 | 0 | 0 | 0 | 113.5 | |||||
| 1200 | S | 21.3 | Very low | 22.7 | Very low | 65 Ų | 65 | 152.8 Ų | 152.8 | 46% | 0.455 | 76% | 0.758 | S | S | . | * | trans | -94.7 | -158.8 | -165.4 | 60.2 | 0 | 0 | 0 | 0 | 115.1 | E576 | E576-S1200 VanDerWaalsContact OE1-CB 3.25Å; E576-S1200 WeakPolarHBondContact OE1-CB 3.38Å; E576-S1200 PolarHBondContact OE1-OG 2.91Å | ||
| 1201 | L | 22.6 | Very low | 22.6 | Very low | 151 Ų | 151 | 154.1 Ų | 154.1 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | 78.4 | 110.9 | -177.4 | -82.8 | 79.4 | 0 | 0 | 0 | 118.5 | ||||
| 1202 | S | 21.3 | Very low | 22.6 | Very low | 114 Ų | 114 | 152 Ų | 152 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | -54.1 | 132.3 | 146.9 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1203 | N | 23.9 | Very low | 22.6 | Very low | 154 Ų | 154 | 148.5 Ų | 148.5 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | trans | -150.8 | 157.4 | 148.1 | -143.3 | -21.6 | 0 | 0 | 0 | 112.3 | ||||
| 1204 | R | 22 | Very low | 22.6 | Very low | 227 Ų | 227 | 149.1 Ų | 149.1 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | trans | -71.7 | 140.8 | 176.2 | -59 | 172.4 | 174.6 | -175.2 | -3.1 | 109.8 | ||||
| 1205 | Q | 24.1 | Very low | 22.6 | Very low | 186 Ų | 186 | 148 Ų | 148 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | -173.9 | 145.7 | 109.3 | -100.7 | 166.1 | 11.1 | 0 | 0 | 113.7 | |||||
| 1206 | T | 21.2 | Very low | 22.7 | Very low | 127 Ų | 127 | 149.8 Ų | 149.8 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | trans | -54.2 | 143.6 | 162 | 45.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1207 | I | 24.4 | Very low | 22.7 | Very low | 152 Ų | 152 | 148.1 Ų | 148.1 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | trans | -163.5 | 145.2 | 131.4 | -102.6 | 150.7 | 0 | 0 | 0 | 109.9 | Y1209 | I1207-Y1209 HydrophobicContact CG2-CD2 3.98Å; I1207-Y1209 HydrophobicContact CG2-CE2 3.92Å | ||
| 1208 | Q | 20.8 | Very low | 22.8 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | -92.4 | 133 | 177.9 | -54.7 | 154.2 | -86.9 | 0 | 0 | 110.6 | ||||
| 1209 | Y | 24.5 | Very low | 22.8 | Very low | 207 Ų | 207 | 143.2 Ų | 143.2 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | trans | -152.7 | 120.9 | 145.4 | -72.2 | -70.3 | 0 | 0 | 0 | 105.5 | I1207 | I1207-Y1209 HydrophobicContact CG2-CD2 3.98Å; I1207-Y1209 HydrophobicContact CG2-CE2 3.92Å | ||
| 1210 | T | 21.5 | Very low | 22.8 | Very low | 92 Ų | 92 | 144.1 Ų | 144.1 | 56% | 0.564 | 73% | 0.73 | S | S | * | * | 59.2 | 133.3 | 50.5 | 80.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 1211 | Y | 23.2 | Very low | 22.8 | Very low | 186 Ų | 186 | 147.5 Ų | 147.5 | 73% | 0.729 | 74% | 0.743 | S | S | * | * | cis | -164.2 | 167.2 | 36.4 | -114.8 | -47.9 | 0 | 0 | 0 | 113.4 | ||||
| 1212 | Q | 22.9 | Very low | 22.9 | Very low | 142 Ų | 142 | 145 Ų | 145 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | trans | 38.6 | 117.8 | 143.6 | -72.8 | 150.9 | -15.9 | 0 | 0 | 119.6 | ||||
| 1213 | S | 22.6 | Very low | 22.9 | Very low | 84 Ų | 84 | 148.2 Ų | 148.2 | 59% | 0.587 | 74% | 0.739 | S | S | * | * | 75.5 | 126.3 | 56.8 | 81.6 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1214 | N | 24.3 | Very low | 22.8 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -172.9 | 115.3 | 144.4 | -85.8 | -33.8 | 0 | 0 | 0 | 104.9 | ||||
| 1215 | I | 21.9 | Very low | 22.9 | Very low | 137 Ų | 137 | 147.6 Ų | 147.6 | 70% | 0.703 | 74% | 0.737 | S | S | * | * | 52.8 | 86.1 | 56.8 | -49.1 | -177.8 | 0 | 0 | 0 | 112 | |||||
| 1216 | N | 23.3 | Very low | 23 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 67% | 0.674 | 73% | 0.727 | S | S | * | * | -177.8 | 114.7 | 127.1 | -93.5 | -42.6 | 0 | 0 | 0 | 108.3 | |||||
| 1217 | Q | 23.2 | Very low | 23.1 | Very low | 151 Ų | 151 | 142.9 Ų | 142.9 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | 79.6 | 120.1 | 97.6 | -79.7 | -170.3 | 17.3 | 0 | 0 | 115.2 | |||||
| 1218 | N | 22.9 | Very low | 23.1 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 68% | 0.684 | 72% | 0.721 | S | S | * | * | trans | 75.3 | 141.8 | 147.4 | -53.8 | -24 | 0 | 0 | 0 | 119.8 | ||||
| 1219 | N | 23.7 | Very low | 23.3 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | trans | 71.6 | 109.5 | 148.4 | -65.7 | -10.1 | 0 | 0 | 0 | 119.8 | ||||
| 1220 | L | 22.4 | Very low | 23.4 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 73% | 0.728 | 72% | 0.715 | S | S | * | * | 67 | 125.9 | 121.5 | -67.3 | 163.7 | 0 | 0 | 0 | 119 | |||||
| 1221 | N | 22.9 | Very low | 23.6 | Very low | 136 Ų | 136 | 135.1 Ų | 135.1 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | 71.4 | 104.9 | 146.9 | -56.6 | -13.5 | 0 | 0 | 0 | 118.1 | ||||
| 1222 | S | 23.2 | Very low | 23.7 | Very low | 99 Ų | 99 | 130.7 Ų | 130.7 | 69% | 0.692 | 72% | 0.718 | S | S | * | * | 89.1 | 142 | 124.7 | 78.4 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 1223 | F | 22.3 | Very low | 23.8 | Very low | 182 Ų | 182 | 128.5 Ų | 128.5 | 80% | 0.798 | 72% | 0.718 | S | S | * | * | trans | 70.4 | 130.6 | 160 | -70.1 | -70.5 | 0 | 0 | 0 | 120.7 | ||||
| 1224 | N | 22.1 | Very low | 23.9 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | trans | 82.9 | 92.8 | 148.7 | -54.5 | -16.7 | 0 | 0 | 0 | 120.6 | ||||
| 1225 | Y | 22.9 | Very low | 23.9 | Very low | 225 Ų | 225 | 130.7 Ų | 130.7 | 88% | 0.882 | 73% | 0.732 | S | S | * | * | -17.8 | 165.2 | 121.4 | -83.1 | -66 | 0 | 0 | 0 | 117.6 | |||||
| 1226 | P | 27.1 | Very low | 24 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | cis | -144.7 | -160.9 | -4.3 | 32.2 | -6.5 | 0 | 0 | 0 | 116.3 | ||||
| 1227 | T | 23.5 | Very low | 24.1 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | trans | 90.3 | 112.5 | 139.7 | 40.8 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1228 | I | 24.4 | Very low | 24.1 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | 67 | 116.7 | 123.1 | -60.4 | 168.1 | 0 | 0 | 0 | 121.9 | |||||
| 1229 | S | 24.8 | Very low | 24.2 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | 173.1 | 138 | 117.3 | 34.8 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 1230 | S | 26 | Very low | 24.3 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | cis | 77.9 | 130.3 | 36.2 | 79.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1231 | S | 25.4 | Very low | 24.4 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | cis | -168.4 | 173.3 | 6.7 | 53.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1232 | S | 25.9 | Very low | 24.5 | Very low | 94 Ų | 94 | 131 Ų | 131 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | trans | 70.5 | 115 | 134.5 | 62.2 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 1233 | S | 25.9 | Very low | 24.5 | Very low | 95 Ų | 95 | 132.9 Ų | 132.9 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | 86.5 | 131.3 | 116.1 | 71.8 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 1234 | N | 23.4 | Very low | 24.6 | Very low | 150 Ų | 150 | 127.8 Ų | 127.8 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | trans | 61.6 | 125.7 | 141.2 | -58.9 | -6.6 | 0 | 0 | 0 | 122.1 | ||||
| 1235 | C | 25 | Very low | 24.7 | Very low | 134 Ų | 134 | 124.2 Ų | 124.2 | 91% | 0.905 | 72% | 0.718 | S | S | * | * | 179.4 | 165.2 | 110.3 | -86.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1236 | L | 23.2 | Very low | 24.7 | Very low | 174 Ų | 174 | 119.2 Ų | 119.2 | 91% | 0.911 | 70% | 0.703 | S | S | * | * | trans | -91.4 | 148.1 | -180 | -71.4 | 156.8 | 0 | 0 | 0 | 112.9 | ||||
| 1237 | S | 26.5 | Very low | 24.5 | Very low | 119 Ų | 119 | 120.5 Ų | 120.5 | 83% | 0.832 | 71% | 0.709 | S | S | * | * | trans | -168.5 | 156.4 | 144.7 | 40.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1238 | F | 22.5 | Very low | 24.6 | Very low | 151 Ų | 151 | 119.5 Ų | 119.5 | 66% | 0.662 | 71% | 0.707 | S | S | * | * | trans | -84.5 | 148.3 | 169.9 | -73.1 | -158 | 0 | 0 | 0 | 109.7 | V1318 | F1238-V1318 HydrophobicContact CD1-CG1 4.35Å; F1238-V1318 HydrophobicContact CD1-CG2 3.89Å; F1238-V1318 HydrophobicContact CE1-CG1 3.78Å; F1238-V1318 HydrophobicContact CE1-CG2 3.97Å | ||
| 1239 | N | 25.1 | Very low | 24.6 | Very low | 125 Ų | 125 | 118.3 Ų | 118.3 | 67% | 0.668 | 71% | 0.706 | S | S | * | * | 177.8 | 155.7 | 109.6 | -104.2 | 35.7 | 0 | 0 | 0 | 114.2 | |||||
| 1240 | D | 25 | Very low | 24.7 | Very low | 116 Ų | 116 | 118.1 Ų | 118.1 | 62% | 0.62 | 71% | 0.705 | S | S | * | * | trans | 58.4 | 104.2 | 142.5 | -62.5 | -35.7 | 0 | 0 | 0 | 122.9 | ||||
| 1241 | N | 25.5 | Very low | 24.6 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 67% | 0.674 | 71% | 0.709 | S | S | * | * | 67.2 | 116.8 | 112.3 | -71 | -53.1 | 0 | 0 | 0 | 122.5 | |||||
| 1242 | I | 25.4 | Very low | 24.6 | Very low | 148 Ų | 148 | 125.9 Ų | 125.9 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | trans | 76.7 | 114.5 | 131.3 | -60.6 | 169.5 | 0 | 0 | 0 | 118.5 | ||||
| 1243 | V | 22.9 | Very low | 24.6 | Very low | 138 Ų | 138 | 126.7 Ų | 126.7 | 84% | 0.836 | 71% | 0.707 | S | S | * | * | trans | -60.4 | 131.5 | 165.5 | 171.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1244 | S | 23.7 | Very low | 24.6 | Very low | 75 Ų | 75 | 130.5 Ų | 130.5 | 52% | 0.524 | 71% | 0.714 | S | S | . | * | trans | -163 | 126.3 | 140.7 | -7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1245 | V | 24 | Very low | 24.7 | Very low | 67 Ų | 67 | 127.9 Ų | 127.9 | 41% | 0.406 | 71% | 0.707 | S | S | . | * | 94.7 | 102.1 | 119.8 | 169.2 | 0 | 0 | 0 | 0 | 122.8 | P1271 | V1245-P1271 HydrophobicContact CB-CG 4.37Å; V1245-P1271 HydrophobicContact CG1-CG 4.07Å; V1245-P1271 HydrophobicContact CG2-CB 3.46Å; V1245-P1271 VanDerWaalsContact CG2-CB 3.46Å; V1245-P1271 HydrophobicContact CG2-CG 3.29Å | |||
| 1246 | Q | 22.9 | Very low | 24.7 | Very low | 120 Ų | 120 | 127 Ų | 127 | 56% | 0.561 | 70% | 0.698 | S | S | * | * | 74.9 | 157 | 126.9 | -67.3 | -177.4 | -15.4 | 0 | 0 | 123.4 | |||||
| 1247 | T | 24.5 | Very low | 24.7 | Very low | 128 Ų | 128 | 125 Ų | 125 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | trans | 76.2 | 141 | 161.5 | 65.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1248 | S | 25.1 | Very low | 24.6 | Very low | 92 Ų | 92 | 126 Ų | 126 | 64% | 0.643 | 69% | 0.693 | S | S | * | * | cis | -169.3 | 138.2 | -18.2 | 50.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1249 | T | 24.5 | Very low | 24.8 | Very low | 122 Ų | 122 | 129 Ų | 129 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | trans | 63 | 135 | 138.3 | 59.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1250 | S | 25.8 | Very low | 24.7 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | trans | 86 | 152.4 | 138.6 | 88 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1251 | R | 24.3 | Very low | 24.8 | Very low | 213 Ų | 213 | 127.6 Ų | 127.6 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | cis | -164.8 | 159.1 | 4.4 | -136.3 | 168 | -169.1 | 172.9 | 3.8 | 111.7 | ||||
| 1252 | Q | 26.5 | Very low | 24.9 | Very low | 155 Ų | 155 | 128.7 Ų | 128.7 | 72% | 0.724 | 72% | 0.717 | S | S | * | * | trans | 69.2 | 150.7 | 158.7 | -63.5 | -177.7 | 0.9 | 0 | 0 | 117.4 | ||||
| 1253 | N | 25 | Very low | 25 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 59% | 0.594 | 71% | 0.714 | S | S | * | * | cis | -163 | 148.2 | -13.3 | -110.9 | -12.3 | 0 | 0 | 0 | 111.3 | ||||
| 1254 | Q | 25.7 | Very low | 25.2 | Very low | 174 Ų | 174 | 123.7 Ų | 123.7 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | trans | 66.3 | 147.3 | 150.5 | -68 | 167.5 | 10.1 | 0 | 0 | 118.2 | ||||
| 1255 | S | 26.4 | Very low | 25.6 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | cis | -157.2 | 133.3 | -4.9 | 48.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1256 | T | 23.4 | Very low | 25.7 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 71% | 0.712 | 73% | 0.728 | S | S | * | * | trans | 44.1 | 117.7 | 143.1 | 59.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1257 | C | 25 | Very low | 26 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 89% | 0.892 | 73% | 0.732 | S | S | * | * | -151.9 | 152 | 101.5 | -92.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1258 | N | 23.6 | Very low | 26.3 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | trans | -104.6 | 148.2 | -169.1 | -58.9 | -35.6 | 0 | 0 | 0 | 112.1 | ||||
| 1259 | F | 26.2 | Very low | 26.5 | Very low | 216 Ų | 216 | 130.8 Ų | 130.8 | 95% | 0.947 | 73% | 0.732 | S | S | * | * | -161.7 | 130.8 | 113.7 | -101 | -68.5 | 0 | 0 | 0 | 110.3 | |||||
| 1260 | S | 23.5 | Very low | 26.9 | Very low | 95 Ų | 95 | 130.5 Ų | 130.5 | 66% | 0.664 | 73% | 0.732 | S | S | * | * | trans | -124.1 | 161.2 | 176.7 | 58.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1261 | P | 27.7 | Very low | 27.2 | Very low | 116 Ų | 116 | 128.2 Ų | 128.2 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | -124.9 | 140.6 | 101.1 | -1.2 | 23.6 | 0 | 0 | 0 | 112.8 | |||||
| 1262 | I | 27.2 | Very low | 27.5 | Very low | 149 Ų | 149 | 121.1 Ų | 121.1 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | 71.4 | 131.2 | 80.9 | -66.6 | 170.1 | 0 | 0 | 0 | 111.9 | |||||
| 1263 | S | 27.4 | Very low | 27.6 | Very low | 99 Ų | 99 | 119.8 Ų | 119.8 | 69% | 0.692 | 70% | 0.695 | S | S | * | * | cis | -179.4 | 163.4 | -4.6 | 56.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1264 | S | 27.7 | Very low | 27.7 | Very low | 82 Ų | 82 | 120.5 Ų | 120.5 | 57% | 0.573 | 70% | 0.703 | S | S | * | * | cis | 176.9 | 168.2 | -13.9 | 50.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1265 | H | 30.5 | Very low | 27.9 | Very low | 153 Ų | 153 | 117.5 Ų | 117.5 | 71% | 0.708 | 70% | 0.699 | S | S | * | * | trans | 82.1 | 125.9 | 161.1 | -60 | -45.4 | 0 | 0 | 0 | 118.2 | ||||
| 1266 | N | 27.6 | Very low | 28.2 | Very low | 147 Ų | 147 | 118 Ų | 118 | 79% | 0.786 | 70% | 0.7 | S | S | * | * | cis | 91.9 | 149.3 | 40.9 | -67.7 | 16.3 | 0 | 0 | 0 | 111.7 | ||||
| 1267 | A | 29.1 | Very low | 28.3 | Very low | 78 Ų | 78 | 118.4 Ų | 118.4 | 65% | 0.645 | 70% | 0.701 | S | S | * | * | cis | -168.9 | -172.5 | -21.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1268 | D | 29.7 | Very low | 28.4 | Very low | 142 Ų | 142 | 119.3 Ų | 119.3 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | cis | -150.9 | 146.2 | 6.1 | -104.1 | -50.8 | 0 | 0 | 0 | 106.7 | ||||
| 1269 | V | 30.1 | Very low | 28.6 | Very low | 110 Ų | 110 | 116.9 Ų | 116.9 | 67% | 0.667 | 69% | 0.691 | S | S | * | * | 66 | 133.9 | 83.4 | -175.8 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1270 | P | 32.6 | Very low | 28.5 | Very low | 116 Ų | 116 | 110.7 Ų | 110.7 | 75% | 0.753 | 67% | 0.671 | S | S | * | * | trans | -107.1 | -118.2 | -166.9 | 32 | -9.2 | 0 | 0 | 0 | 112.5 | ||||
| 1271 | P | 32.9 | Very low | 28.5 | Very low | 54 Ų | 54 | 114.1 Ų | 114.1 | 35% | 0.351 | 68% | 0.678 | S | S | . | * | cis | -147.5 | 166.8 | -2.8 | 44.2 | -23.1 | 0 | 0 | 0 | 120.4 | V1245 | V1245-P1271 HydrophobicContact CB-CG 4.37Å; V1245-P1271 HydrophobicContact CG1-CG 4.07Å; V1245-P1271 HydrophobicContact CG2-CB 3.46Å; V1245-P1271 VanDerWaalsContact CG2-CB 3.46Å; V1245-P1271 HydrophobicContact CG2-CG 3.29Å | ||
| 1272 | S | 28.8 | Very low | 28.4 | Very low | 64 Ų | 64 | 112 Ų | 112 | 45% | 0.448 | 66% | 0.66 | S | S | . | * | trans | 72.1 | 168.1 | 137 | 71.6 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 1273 | I | 28.7 | Very low | 28.3 | Very low | 128 Ų | 128 | 109.1 Ų | 109.1 | 66% | 0.656 | 65% | 0.653 | S | S | * | * | trans | 106.5 | 89.7 | 154 | -66.4 | 171.4 | 0 | 0 | 0 | 121.1 | ||||
| 1274 | T | 27 | Very low | 28 | Very low | 125 Ų | 125 | 107 Ų | 107 | 77% | 0.767 | 64% | 0.638 | S | S | * | * | trans | 83.7 | 144.4 | 134.9 | 58 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 1275 | P | 31.3 | Very low | 27.9 | Very low | 112 Ų | 112 | 107.5 Ų | 107.5 | 73% | 0.727 | 64% | 0.641 | S | S | * | * | trans | -109.7 | -143.1 | 171.1 | 44.1 | -30.1 | 0 | 0 | 0 | 110.4 | ||||
| 1276 | P | 33 | Very low | 27.6 | Very low | 106 Ų | 106 | 104.4 Ų | 104.4 | 69% | 0.688 | 64% | 0.636 | S | S | * | * | cis | -140.5 | -165.3 | -10.4 | 30.6 | -4.2 | 0 | 0 | 0 | 117 | ||||
| 1277 | V | 25.5 | Very low | 27.5 | Very low | 123 Ų | 123 | 101.9 Ų | 101.9 | 75% | 0.745 | 63% | 0.631 | S | S | * | * | trans | 87.4 | 136.7 | 153 | -142.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 1278 | L | 25.3 | Very low | 27.2 | Very low | 152 Ų | 152 | 103.8 Ų | 103.8 | 80% | 0.796 | 64% | 0.638 | S | S | * | * | trans | 104.8 | 136.6 | 137 | -115.2 | 155.1 | 0 | 0 | 0 | 120.9 | ||||
| 1279 | S | 27.8 | Very low | 26.9 | Very low | 88 Ų | 88 | 101.8 Ų | 101.8 | 62% | 0.615 | 64% | 0.635 | S | S | * | * | trans | 69.8 | 98.7 | 156.4 | 33.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1280 | T | 24.2 | Very low | 26.6 | Very low | 85 Ų | 85 | 103.5 Ų | 103.5 | 52% | 0.521 | 64% | 0.64 | S | S | . | * | 36.2 | 120.5 | 116.6 | 58.6 | 0 | 0 | 0 | 0 | 120.1 | N589 | N589-T1280 WeakPolarHBondContact ND2-CG2 3.46Å; N589-T1280 WeakPolarHBondContact OD1-CG2 3.32Å | |||
| 1281 | M | 25.4 | Very low | 26.2 | Very low | 167 Ų | 167 | 102.5 Ų | 102.5 | 82% | 0.823 | 63% | 0.627 | S | S | * | * | -168.1 | 125.9 | 115.5 | -96.5 | -162.2 | -172.8 | 0 | 0 | 108.7 | |||||
| 1282 | I | 25 | Very low | 25.8 | Very low | 71 Ų | 71 | 102.8 Ų | 102.8 | 36% | 0.364 | 62% | 0.622 | S | S | . | * | 73.5 | 130.8 | 89.7 | -65.1 | 176.9 | 0 | 0 | 0 | 114.4 | N591 D592 | N591-I1282 HydrophobicContact CB-CD1 3.7Å; N591-I1282 HydrophobicContact CB-CG1 3.99Å; N591-I1282 HydrophobicContact CB-CG2 4.41Å; D592-I1282 VanDerWaalsContact OD2-CA 3.26Å; D592-I1282 WeakPolarHBondContact OD2-CA 3.45Å | |||
| 1283 | S | 24.7 | Very low | 25.9 | Very low | 90 Ų | 90 | 103.6 Ų | 103.6 | 63% | 0.629 | 63% | 0.626 | S | S | * | * | trans | 94.4 | 97.4 | 155.7 | 63.5 | 0 | 0 | 0 | 0 | 119.9 | D592 | D592-S1283 WeakPolarHBondContact OD1-CA 3.29Å; D592-S1283 PolarHBondContact OD1-N 3.2Å; D592-S1283 PolarHBondContact OD2-N 2.94Å | ||
| 1284 | C | 21.9 | Very low | 25.9 | Very low | 55 Ų | 55 | 101.1 Ų | 101.1 | 37% | 0.372 | 62% | 0.618 | S | S | . | * | 44.4 | 141.7 | 100.8 | -81.1 | 0 | 0 | 0 | 0 | 122.5 | D592 K594 | D592-C1284 PolarHBondContact OD1-N 3.44Å; D592-C1284 PolarHBondContact OD1-SG 3.37Å; K594-C1284 HydrophobicContact CD-CB 4.18Å; K594-C1284 VanDerWaalsContact NZ-CB 3.33Å; K594-C1284 PolarHBondContact NZ-SG 2.96Å; K594-C1284 VanDerWaalsContact NZ-SG 3.45Å | |||
| 1285 | S | 24.4 | Very low | 25.9 | Very low | 92 Ų | 92 | 101.4 Ų | 101.4 | 64% | 0.643 | 61% | 0.614 | S | S | * | * | trans | 102.7 | 134.5 | 147.5 | -57.4 | 0 | 0 | 0 | 0 | 116.9 | K594 | K594-S1285 PolarHBondContact NZ-OG 2.87Š| ||
| 1286 | S | 25 | Very low | 25.8 | Very low | 87 Ų | 87 | 100.1 Ų | 100.1 | 61% | 0.608 | 62% | 0.621 | S | S | * | * | cis | 168.7 | -165.2 | -12.2 | 48.1 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1287 | S | 25 | Very low | 25.6 | Very low | 95 Ų | 95 | 102 Ų | 102 | 66% | 0.664 | 63% | 0.625 | S | S | * | * | trans | 65.8 | 106.6 | 155.3 | 32 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1288 | C | 22.2 | Very low | 25.8 | Very low | 117 Ų | 117 | 100.6 Ų | 100.6 | 79% | 0.791 | 62% | 0.618 | S | S | * | * | 37.5 | 143 | 107.1 | -51.6 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1289 | S | 23.9 | Very low | 26 | Very low | 100 Ų | 100 | 99.2 Ų | 99.2 | 70% | 0.699 | 62% | 0.619 | S | S | * | * | trans | 62.1 | 115.5 | 151 | 59.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1290 | N | 23.3 | Very low | 26 | Very low | 147 Ų | 147 | 100.2 Ų | 100.2 | 79% | 0.786 | 62% | 0.62 | S | S | * | * | trans | 67.9 | 156.7 | 138.9 | -62 | -10.9 | 0 | 0 | 0 | 120.4 | ||||
| 1291 | I | 24.7 | Very low | 26.1 | Very low | 94 Ų | 94 | 103.2 Ų | 103.2 | 48% | 0.482 | 63% | 0.634 | S | S | . | * | trans | 70.3 | 94.5 | 164.3 | -55 | 128.7 | 0 | 0 | 0 | 116.8 | E147 | E147-I1291 HydrophobicContact CB-CG1 4.28Å; E147-I1291 HydrophobicContact CB-CG2 3.8Å; E147-I1291 HydrophobicContact CG-CG2 3.93Å | ||
| 1292 | Y | 25.3 | Very low | 26.2 | Very low | 60 Ų | 60 | 99.7 Ų | 99.7 | 24% | 0.235 | 63% | 0.625 | C | S | . | * | 92.4 | 172.4 | 121.8 | -50.5 | -102.2 | 0 | 0 | 0 | 119.8 | D149 Y150 V151 T152 | D149-Y1292 VanDerWaalsContact C-CB 3.48Å; D149-Y1292 WeakPolarHBondContact O-CD1 3.48Å; D149-Y1292 WeakPolarHBondContact O-CE1 3.41Å; Y150-Y1292 AromaticContact CD1-CD1 2.93Å; Y150-Y1292 HydrophobicContact CD1-CD1 2.93Å; Y150-Y1292 AromaticContact CD1-CE1 3.92Å; Y150-Y1292 HydrophobicContact CD1-CE1 3.92Å; Y150-Y1292 AromaticContact CD1-CG 3.64Å; Y150-Y1292 HydrophobicContact CD1-CG 3.64Å; Y150-Y1292 AromaticContact CD2-CD1 4Å; Y150-Y1292 HydrophobicContact CD2-CD1 4Å; Y150-Y1292 AromaticContact CD2-CG 3.52Å; Y150-Y1292 HydrophobicContact CD2-CG 3.52Å; Y150-Y1292 AromaticContact CE1-CD1 3.83Å; Y150-Y1292 HydrophobicContact CE1-CD1 3.83Å; Y150-Y1292 VanDerWaalsContact CE2-C 3.46Å; Y150-Y1292 HydrophobicContact CE2-CG 4.47Å; Y150-Y1292 WeakPolarHBondContact CE2-O 3.03Å; Y150-Y1292 AromaticContact CG-CD1 2.98Å; Y150-Y1292 HydrophobicContact CG-CD1 2.98Å; Y150-Y1292 AromaticContact CG-CD2 3.98Å; Y150-Y1292 HydrophobicContact CG-CD2 3.98Å; Y150-Y1292 HydrophobicContact CG-CE1 4.13Å; Y150-Y1292 AromaticContact CG-CG 2.93Å; Y150-Y1292 HydrophobicContact CG-CG 2.93Å; Y150-Y1292 PolarHBondContact N-OH 3.47Å; Y150-Y1292 WeakPolarHBondContact O-CE2 3.31Å; V151-Y1292 HydrophobicContact CB-CE2 4.45Å; V151-Y1292 HydrophobicContact CG2-CE2 3.96Å; V151-Y1292 PolarHBondContact N-OH 3.29Å; T152-Y1292 PolarHBondContact OG1-OH 3.1Å; T152-Y1292 VanDerWaalsContact OG1-OH 3.09Å | |||
| 1293 | P | 31.4 | Very low | 26.2 | Very low | 81 Ų | 81 | 102.6 Ų | 102.6 | 53% | 0.526 | 64% | 0.64 | S | S | . | * | trans | -121.6 | -137.4 | 138.6 | 40.1 | -30.7 | 0 | 0 | 0 | 109.3 | Y150 | Y150-P1293 HydrophobicContact CE1-CG 4.34Š| ||
| 1294 | P | 28.3 | Very low | 26.3 | Very low | 76 Ų | 76 | 102.6 Ų | 102.6 | 49% | 0.494 | 63% | 0.633 | S | S | . | * | cis | -147 | 175.8 | 35.6 | 44.7 | -23 | 0 | 0 | 0 | 119 | D149 | D149-P1294 WeakPolarHBondContact OD2-CB 3.31Š| ||
| 1295 | L | 25.7 | Very low | 26.5 | Very low | 131 Ų | 131 | 105.5 Ų | 105.5 | 69% | 0.686 | 64% | 0.641 | S | S | * | * | trans | 48.2 | 106.5 | 142 | -69.9 | 162 | 0 | 0 | 0 | 121.8 | L1297 | L1295-L1297 HydrophobicContact CD2-CD1 4.45Å; L1295-L1297 HydrophobicContact CD2-CD2 3.9Å; L1295-L1297 HydrophobicContact CD2-CG 4.02Å | ||
| 1296 | G | 30.1 | Very low | 26.6 | Very low | 85 Ų | 85 | 105 Ų | 105 | 88% | 0.876 | 64% | 0.637 | S | S | * | * | trans | -119 | 109.1 | 150.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1297 | L | 28.9 | Very low | 26.5 | Very low | 145 Ų | 145 | 107.7 Ų | 107.7 | 76% | 0.759 | 65% | 0.645 | S | S | * | * | trans | -87.4 | 162.8 | -162.4 | -81.8 | 163.8 | 0 | 0 | 0 | 115.8 | L1295 | L1295-L1297 HydrophobicContact CD2-CD1 4.45Å; L1295-L1297 HydrophobicContact CD2-CD2 3.9Å; L1295-L1297 HydrophobicContact CD2-CG 4.02Å | ||
| 1298 | P | 30.5 | Very low | 26.5 | Very low | 95 Ų | 95 | 110.5 Ų | 110.5 | 62% | 0.617 | 65% | 0.652 | S | S | * | * | trans | -95.6 | -179 | -167.6 | 40.3 | -39.5 | 0 | 0 | 0 | 114.9 | V1300 | P1298-V1300 HydrophobicContact CG-CG2 4.34Š| ||
| 1299 | P | 28.9 | Very low | 26.5 | Very low | 123 Ų | 123 | 109.6 Ų | 109.6 | 80% | 0.799 | 65% | 0.647 | S | S | * | * | -127.1 | 136.3 | 114.7 | 6.1 | 15.1 | 0 | 0 | 0 | 111.9 | |||||
| 1300 | V | 27 | Very low | 26.6 | Very low | 108 Ų | 108 | 110.4 Ų | 110.4 | 66% | 0.655 | 65% | 0.653 | S | S | * | * | 89.4 | 120.2 | 50 | 169.3 | 0 | 0 | 0 | 0 | 113.2 | P1298 | P1298-V1300 HydrophobicContact CG-CG2 4.34Š| |||
| 1301 | N | 26.1 | Very low | 26.7 | Very low | 149 Ų | 149 | 107.3 Ų | 107.3 | 80% | 0.797 | 65% | 0.647 | S | S | * | * | trans | 71.1 | 147 | 164.2 | -70.7 | -12.5 | 0 | 0 | 0 | 118.1 | ||||
| 1302 | S | 27.5 | Very low | 26.8 | Very low | 92 Ų | 92 | 111.9 Ų | 111.9 | 64% | 0.643 | 66% | 0.663 | S | S | * | * | cis | -170.1 | 150 | -2.8 | 42.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1303 | I | 26.2 | Very low | 26.9 | Very low | 132 Ų | 132 | 117.7 Ų | 117.7 | 68% | 0.677 | 69% | 0.693 | S | S | * | * | trans | 76.8 | 122.1 | 138.2 | -72.4 | 166.1 | 0 | 0 | 0 | 120.8 | ||||
| 1304 | N | 25.3 | Very low | 26.5 | Very low | 90 Ų | 90 | 121.7 Ų | 121.7 | 48% | 0.481 | 71% | 0.709 | S | S | . | * | trans | 77 | 107.5 | 147.8 | -75.2 | 11.2 | 0 | 0 | 0 | 124.9 | ||||
| 1305 | Q | 26.6 | Very low | 26.5 | Very low | 117 Ų | 117 | 123.4 Ų | 123.4 | 55% | 0.547 | 72% | 0.72 | S | S | . | * | 84.4 | 133.1 | 114.4 | -70.6 | 175.9 | -21.2 | 0 | 0 | 122.8 | A1376 | Q1305-A1376 HydrophobicContact CB-CB 4.1Å; Q1305-A1376 HydrophobicContact CG-CB 4.43Å | |||
| 1306 | S | 26.1 | Very low | 26.6 | Very low | 80 Ų | 80 | 121.9 Ų | 121.9 | 56% | 0.559 | 72% | 0.72 | S | S | * | * | trans | 82.7 | 99.8 | 143.3 | 59.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1307 | N | 23.3 | Very low | 26.4 | Very low | 145 Ų | 145 | 123.8 Ų | 123.8 | 78% | 0.775 | 71% | 0.714 | S | S | * | * | 71.1 | 162.8 | 118 | -63.8 | -1.4 | 0 | 0 | 0 | 122.2 | |||||
| 1308 | L | 24.4 | Very low | 26.4 | Very low | 154 Ų | 154 | 121.4 Ų | 121.4 | 81% | 0.806 | 71% | 0.706 | S | S | * | * | trans | 72.1 | 89.6 | 170.9 | -90.5 | 68.3 | 0 | 0 | 0 | 118.2 | ||||
| 1309 | S | 24 | Very low | 26.2 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 69% | 0.685 | 71% | 0.71 | S | S | * | * | 42.6 | 130.1 | 115 | 65.3 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 1310 | S | 25.5 | Very low | 26.1 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | 133.3 | 154.7 | 116 | 73.1 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1311 | A | 25.5 | Very low | 26 | Very low | 81 Ų | 81 | 122.6 Ų | 122.6 | 67% | 0.669 | 71% | 0.714 | S | S | * | * | trans | 68.3 | 101.2 | 151.3 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 1312 | K | 25.8 | Very low | 26 | Very low | 190 Ų | 190 | 120.1 Ų | 120.1 | 83% | 0.826 | 71% | 0.706 | S | S | * | * | 78.9 | 141.4 | 119.8 | -70.4 | 179.3 | 177.3 | -179.6 | 0 | 122.3 | |||||
| 1313 | Q | 27.4 | Very low | 25.9 | Very low | 183 Ų | 183 | 124.4 Ų | 124.4 | 86% | 0.855 | 72% | 0.72 | S | S | * | * | trans | 89.8 | 102.6 | 146.5 | -78.3 | 160.5 | -50.5 | 0 | 0 | 121.5 | ||||
| 1314 | L | 23.7 | Very low | 26 | Very low | 165 Ų | 165 | 125.7 Ų | 125.7 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | trans | -48.9 | 169.6 | 152.1 | -80.9 | 141.9 | 0 | 0 | 0 | 114.1 | ||||
| 1315 | P | 28.4 | Very low | 25.8 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | cis | -130.9 | -170.7 | 26.3 | 39.1 | -17.7 | 0 | 0 | 0 | 114.5 | ||||
| 1316 | S | 27 | Very low | 25.8 | Very low | 98 Ų | 98 | 126.8 Ų | 126.8 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | cis | -153.7 | 158.3 | 18.5 | -38.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1317 | V | 27.2 | Very low | 25.8 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | trans | 1.1 | 130.3 | 133.6 | -164.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 1318 | V | 27.8 | Very low | 25.9 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 58% | 0.582 | 75% | 0.754 | S | S | * | * | -134.7 | 150.7 | 54.2 | 170.4 | 0 | 0 | 0 | 0 | 114 | F1238 | F1238-V1318 HydrophobicContact CD1-CG1 4.35Å; F1238-V1318 HydrophobicContact CD1-CG2 3.89Å; F1238-V1318 HydrophobicContact CE1-CG1 3.78Å; F1238-V1318 HydrophobicContact CE1-CG2 3.97Å | |||
| 1319 | T | 26.3 | Very low | 25.9 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | -117.6 | 153.3 | 178.3 | 54.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 1320 | P | 27.5 | Very low | 26 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | -123.5 | 169.3 | 106.1 | 36.6 | -31.8 | 0 | 0 | 0 | 112.2 | P1322 | P1320-P1322 WeakPolarHBondContact O-CD 3.05Š| |||
| 1321 | P | 24.3 | Very low | 26 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 81% | 0.805 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 123.9 | -144.1 | 30.5 | -35.6 | 0 | 0 | 0 | 115.8 | ||
| 1322 | P | 26.9 | Very low | 26 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 62% | 0.623 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -88 | 133.1 | 161.8 | 34.1 | -29.7 | 0 | 0 | 0 | 110.9 | P1320 L1324 | P1320-P1322 WeakPolarHBondContact O-CD 3.05Å; P1322-L1324 HydrophobicContact CB-CD1 4.37Å |
| 1323 | L | 24.5 | Very low | 26 | Very low | 182 Ų | 182 | 132.5 Ų | 132.5 | 95% | 0.953 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 119.1 | 157.2 | -72.4 | 169.4 | 0 | 0 | 0 | 107 | ||
| 1324 | L | 27.6 | Very low | 25.8 | Very low | 159 Ų | 159 | 131.6 Ų | 131.6 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | trans | -132 | 134.2 | -179.2 | -94.3 | 165.9 | 0 | 0 | 0 | 110 | P1322 | P1322-L1324 HydrophobicContact CB-CD1 4.37Š| ||
| 1325 | D | 23 | Very low | 25.9 | Very low | 157 Ų | 157 | 131.5 Ų | 131.5 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | trans | -81.9 | 169.3 | -179.5 | -78.2 | -63.4 | 0 | 0 | 0 | 113.7 | ||||
| 1326 | A | 26 | Very low | 25.7 | Very low | 73 Ų | 73 | 134.1 Ų | 134.1 | 60% | 0.603 | 73% | 0.727 | S | S | * | * | trans | 65.8 | 109.5 | 145.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1327 | N | 25.3 | Very low | 25.5 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | 174.9 | 138.1 | 85.3 | -88.9 | -50 | 0 | 0 | 0 | 116.1 | |||||
| 1328 | Y | 26 | Very low | 25.4 | Very low | 192 Ų | 192 | 135.3 Ų | 135.3 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | trans | 58.3 | 119.3 | 140.8 | -78.6 | -115.9 | 0 | 0 | 0 | 123.1 | ||||
| 1329 | N | 25.1 | Very low | 25.2 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 68% | 0.679 | 74% | 0.737 | S | S | * | * | trans | 63.2 | 140.8 | 135.1 | -61.3 | 3.1 | 0 | 0 | 0 | 119.7 | ||||
| 1330 | N | 25.7 | Very low | 25.1 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 65% | 0.647 | 74% | 0.743 | S | S | * | * | cis | -156.3 | 155.7 | 11.9 | -132.8 | -0.6 | 0 | 0 | 0 | 113.5 | ||||
| 1331 | N | 25.5 | Very low | 25 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | trans | 68.5 | 128.7 | 153.6 | -63 | -17.9 | 0 | 0 | 0 | 122.4 | ||||
| 1332 | N | 25.8 | Very low | 25.1 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | trans | 80.6 | 100.2 | 143.3 | -60.7 | -10 | 0 | 0 | 0 | 121.3 | ||||
| 1333 | N | 24.3 | Very low | 24.9 | Very low | 149 Ų | 149 | 151 Ų | 151 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | 53.9 | 88.8 | 130.5 | -60.8 | -6.6 | 0 | 0 | 0 | 119.3 | ||||
| 1334 | R | 24.7 | Very low | 25 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 62% | 0.619 | 74% | 0.743 | S | S | * | * | trans | -148.2 | 122.3 | 130.7 | -107.5 | 167.8 | -154 | -128.2 | -1.5 | 110.1 | N1029 H1030 | N1029-R1334 PolarHBondContact O-NH1 2.98Å; H1030-R1334 PolarHBondContact CE1-NH2 3.08Å; H1030-R1334 PolarHBondContact NE2-NH2 3.3Å | ||
| 1335 | N | 24.3 | Very low | 24.9 | Very low | 162 Ų | 162 | 148 Ų | 148 | 87% | 0.866 | 74% | 0.737 | S | S | * | * | trans | -80.8 | 131.3 | 177.1 | -66.7 | -46.2 | 0 | 0 | 0 | 110.1 | ||||
| 1336 | Y | 24.7 | Very low | 25 | Very low | 168 Ų | 168 | 145.7 Ų | 145.7 | 66% | 0.659 | 73% | 0.73 | S | S | * | * | trans | -113.6 | 131.2 | 151 | -79.4 | -77.8 | 0 | 0 | 0 | 108.6 | D1032 V1338 | D1032-Y1336 PolarHBondContact OD2-OH 3.2Å; Y1336-V1338 PolarHBondContact O-N 3.36Å | ||
| 1337 | P | 23.9 | Very low | 24.9 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 71% | 0.714 | 74% | 0.742 | S | S | * | * | trans | -85 | 104.7 | -164.2 | 31.8 | -35.2 | 0 | 0 | 0 | 113 | M1339 | P1337-M1339 PolarHBondContact O-N 2.93Š| ||
| 1338 | V | 24.1 | Very low | 25 | Very low | 137 Ų | 137 | 147.5 Ų | 147.5 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | trans | -68.7 | 113.9 | 152.2 | -179.7 | 0 | 0 | 0 | 0 | 107 | Y1336 N1340 | Y1336-V1338 PolarHBondContact O-N 3.36Å; V1338-N1340 PolarHBondContact O-N 3.37Å | ||
| 1339 | M | 24.6 | Very low | 25 | Very low | 140 Ų | 140 | 143.8 Ų | 143.8 | 69% | 0.69 | 74% | 0.739 | S | S | * | * | trans | -65.5 | 95.6 | -170 | -75.4 | -167.4 | -177.2 | 0 | 0 | 113.5 | P1337 H1341 | P1337-M1339 PolarHBondContact O-N 2.93Å; M1339-H1341 VanDerWaalsContact C-N 3.27Å; M1339-H1341 PolarHBondContact O-N 3.29Å | ||
| 1340 | N | 23.7 | Very low | 25.1 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | trans | -74.8 | 79.3 | 160.8 | -94.2 | -27.3 | 0 | 0 | 0 | 110.6 | V1338 | V1338-N1340 PolarHBondContact O-N 3.37Š| ||
| 1341 | H | 26.2 | Very low | 25.2 | Very low | 158 Ų | 158 | 147.2 Ų | 147.2 | 73% | 0.731 | 76% | 0.756 | S | S | * | * | trans | -134.7 | 127.1 | 170.1 | -84 | -8.9 | 0 | 0 | 0 | 109.4 | M1339 | M1339-H1341 VanDerWaalsContact C-N 3.27Å; M1339-H1341 PolarHBondContact O-N 3.29Å | ||
| 1342 | R | 24.5 | Very low | 25.2 | Very low | 208 Ų | 208 | 149 Ų | 149 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | cis | -136.2 | 142.4 | 10.2 | -67.9 | -176.1 | 168.8 | 167.4 | -5.6 | 112.8 | V1344 | R1342-V1344 PolarHBondContact O-N 3.42Š| ||
| 1343 | Y | 24.4 | Very low | 25.3 | Very low | 209 Ų | 209 | 145.3 Ų | 145.3 | 82% | 0.82 | 76% | 0.76 | S | S | * | * | trans | -57.7 | 127.9 | 144.2 | -108.6 | -93.3 | 0 | 0 | 0 | 108.8 | Q1345 | Y1343-Q1345 HydrophobicContact CD1-CG 4.09Å; Y1343-Q1345 PolarHBondContact O-N 3.17Å | ||
| 1344 | V | 25.6 | Very low | 25.4 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 76% | 0.758 | 76% | 0.758 | S | S | * | * | trans | -94.1 | 83.8 | 157.9 | -179.1 | 0 | 0 | 0 | 0 | 106.8 | R1342 | R1342-V1344 PolarHBondContact O-N 3.42Š| ||
| 1345 | Q | 25.5 | Very low | 25.5 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 72% | 0.715 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 147.4 | 162.2 | -96.7 | 177.6 | -27.9 | 0 | 0 | 109.5 | Y1343 | Y1343-Q1345 HydrophobicContact CD1-CG 4.09Å; Y1343-Q1345 PolarHBondContact O-N 3.17Å |
| 1346 | P | 25.7 | Very low | 25.5 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 157.8 | -177.9 | 31.1 | -35.7 | 0 | 0 | 0 | 111.8 | ||
| 1347 | P | 23.4 | Very low | 25.6 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 128.8 | 178.9 | 30.3 | -34.5 | 0 | 0 | 0 | 111.8 | ||
| 1348 | S | 27.4 | Very low | 25.7 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | -156.1 | 98.2 | 162.3 | 54.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1349 | N | 27 | Very low | 25.9 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | trans | -91.5 | 130.3 | 162.3 | -92.7 | -25.1 | 0 | 0 | 0 | 108.7 | Q653 | Q653-N1349 PolarHBondContact OE1-ND2 3.49Š| ||
| 1350 | N | 26.8 | Very low | 26 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | 40.4 | 104 | 155.2 | -58 | -13.5 | 0 | 0 | 0 | 118.9 | ||||
| 1351 | L | 27 | Very low | 26.1 | Very low | 172 Ų | 172 | 130.9 Ų | 130.9 | 90% | 0.901 | 75% | 0.751 | S | S | * | * | trans | -149 | 153.1 | 136.4 | -115.4 | 149.5 | 0 | 0 | 0 | 111.7 | ||||
| 1352 | L | 26.3 | Very low | 26.1 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 85% | 0.848 | 76% | 0.756 | S | S | * | * | trans | -79.8 | 164.5 | -158.7 | -72.2 | 61.8 | 0 | 0 | 0 | 114.1 | ||||
| 1353 | G | 26.6 | Very low | 26.2 | Very low | 60 Ų | 60 | 125 Ų | 125 | 62% | 0.619 | 74% | 0.743 | S | S | * | * | trans | 118.7 | 108 | 155.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1354 | S | 26.2 | Very low | 26.4 | Very low | 108 Ų | 108 | 122 Ų | 122 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | 60.2 | 114.3 | 76.7 | 73.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1355 | D | 26.7 | Very low | 26.6 | Very low | 143 Ų | 143 | 121.5 Ų | 121.5 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | cis | -151.3 | 169.6 | 36.8 | -120.1 | -53.8 | 0 | 0 | 0 | 117.5 | ||||
| 1356 | S | 25.8 | Very low | 26.8 | Very low | 90 Ų | 90 | 121.2 Ų | 121.2 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | trans | -42.7 | 162.7 | 163.2 | 55.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1357 | V | 26.2 | Very low | 26.9 | Very low | 115 Ų | 115 | 124 Ų | 124 | 70% | 0.697 | 75% | 0.746 | S | S | * | * | -164.6 | 125.7 | 66.8 | 161.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1358 | S | 26.7 | Very low | 27.2 | Very low | 116 Ų | 116 | 123.4 Ų | 123.4 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | trans | 61.3 | 169 | 153.3 | 80.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1359 | G | 26.7 | Very low | 27.2 | Very low | 67 Ų | 67 | 123 Ų | 123 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | trans | -179.1 | -30.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1360 | N | 27.4 | Very low | 27.2 | Very low | 143 Ų | 143 | 123.7 Ų | 123.7 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | trans | 60.5 | 126.5 | 177.9 | -66.6 | -14.7 | 0 | 0 | 0 | 117.7 | ||||
| 1361 | S | 26.7 | Very low | 27.4 | Very low | 105 Ų | 105 | 122.2 Ų | 122.2 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | 66.7 | 150.5 | 134.5 | 70.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1362 | M | 25.6 | Very low | 27.4 | Very low | 169 Ų | 169 | 118.3 Ų | 118.3 | 83% | 0.833 | 74% | 0.736 | S | S | * | * | cis | -153.2 | 119.5 | -17.1 | -114.1 | 173.5 | -178.6 | 0 | 0 | 104.4 | ||||
| 1363 | S | 27.1 | Very low | 27.6 | Very low | 74 Ų | 74 | 115.7 Ų | 115.7 | 52% | 0.517 | 73% | 0.732 | S | S | . | * | 67.3 | 147.1 | 93.3 | 80.3 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1364 | N | 28.4 | Very low | 27.9 | Very low | 146 Ų | 146 | 118.4 Ų | 118.4 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | trans | 77.5 | 144 | 157.5 | -55.3 | -18.5 | 0 | 0 | 0 | 115.7 | ||||
| 1365 | V | 28.8 | Very low | 28.3 | Very low | 114 Ų | 114 | 118.9 Ų | 118.9 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | cis | -155.8 | 143.8 | -4.3 | 111.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1366 | L | 29.8 | Very low | 28.3 | Very low | 146 Ų | 146 | 113.6 Ų | 113.6 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | trans | 24.9 | 127.3 | 150.8 | -52.7 | 160.5 | 0 | 0 | 0 | 121.9 | ||||
| 1367 | M | 29.2 | Very low | 28.4 | Very low | 166 Ų | 166 | 117.5 Ų | 117.5 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | 2.6 | 147.2 | 113.7 | -67.7 | -174.9 | 71.4 | 0 | 0 | 117.8 | |||||
| 1368 | P | 29.1 | Very low | 28.5 | Very low | 120 Ų | 120 | 116.1 Ų | 116.1 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | -144.4 | -141.3 | 80 | 38.2 | -14.7 | 0 | 0 | 0 | 114 | |||||
| 1369 | P | 27.4 | Very low | 28.5 | Very low | 106 Ų | 106 | 113.7 Ų | 113.7 | 69% | 0.688 | 71% | 0.705 | S | S | * | * | -130.6 | 168.5 | -109.7 | 40.5 | -21.2 | 0 | 0 | 0 | 118.2 | |||||
| 1370 | V | 27.8 | Very low | 28.4 | Very low | 129 Ų | 129 | 118.1 Ų | 118.1 | 78% | 0.782 | 71% | 0.708 | S | S | * | * | trans | -17.4 | 144.7 | 137.1 | 166 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1371 | P | 28.9 | Very low | 28.3 | Very low | 116 Ų | 116 | 117.9 Ų | 117.9 | 75% | 0.753 | 70% | 0.704 | S | S | * | * | cis | -144.6 | -174.9 | 30.9 | 34.4 | -10.3 | 0 | 0 | 0 | 119 | ||||
| 1372 | A | 28.1 | Very low | 28.2 | Very low | 89 Ų | 89 | 119 Ų | 119 | 74% | 0.736 | 70% | 0.701 | S | S | * | * | trans | 70.2 | 116.9 | 140.5 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1373 | S | 29.7 | Very low | 28.3 | Very low | 108 Ų | 108 | 116.9 Ų | 116.9 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | trans | -25.5 | 170.7 | 134.7 | 57.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1374 | P | 34.5 | Very low | 28.2 | Very low | 117 Ų | 117 | 118.7 Ų | 118.7 | 76% | 0.76 | 70% | 0.701 | S | S | * | * | cis | -127 | -145.7 | -6.2 | 44 | -26 | 0 | 0 | 0 | 109.9 | ||||
| 1375 | P | 33.1 | Very low | 28.1 | Very low | 118 Ų | 118 | 120 Ų | 120 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | cis | -124.3 | -107.5 | -20.1 | 36.3 | -15.1 | 0 | 0 | 0 | 113 | ||||
| 1376 | A | 27.6 | Very low | 28 | Very low | 32 Ų | 32 | 117.8 Ų | 117.8 | 26% | 0.264 | 70% | 0.7 | S | S | . | * | trans | -156.9 | 148.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1305 | Q1305-A1376 HydrophobicContact CB-CB 4.1Å; Q1305-A1376 HydrophobicContact CG-CB 4.43Å | ||
| 1377 | Q | 28.5 | Very low | 28 | Very low | 171 Ų | 171 | 119 Ų | 119 | 80% | 0.799 | 70% | 0.701 | S | S | * | * | trans | 178.6 | 152.1 | 141.2 | -102.9 | 175.9 | 19.5 | 0 | 0 | 114.3 | ||||
| 1378 | S | 26.7 | Very low | 27.9 | Very low | 87 Ų | 87 | 116.7 Ų | 116.7 | 61% | 0.608 | 69% | 0.693 | S | S | * | * | trans | 15.7 | 104 | 158.7 | 59.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 1379 | A | 27.2 | Very low | 27.8 | Very low | 64 Ų | 64 | 118.4 Ų | 118.4 | 53% | 0.529 | 69% | 0.693 | S | S | . | * | 51.8 | 156.3 | 102.4 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 1380 | Q | 25.8 | Very low | 27.9 | Very low | 161 Ų | 161 | 116.9 Ų | 116.9 | 75% | 0.752 | 70% | 0.697 | S | S | * | * | trans | 86.4 | 101.9 | 158.7 | -67.4 | -161.2 | 1.8 | 0 | 0 | 121.1 | ||||
| 1381 | M | 23.9 | Very low | 27.8 | Very low | 138 Ų | 138 | 114 Ų | 114 | 68% | 0.68 | 69% | 0.693 | S | S | * | * | 112.5 | 107.7 | 109.1 | -81.8 | -168.6 | -179.3 | 0 | 0 | 121.2 | |||||
| 1382 | I | 25.2 | Very low | 27.7 | Very low | 129 Ų | 129 | 113.8 Ų | 113.8 | 66% | 0.662 | 70% | 0.695 | S | S | * | * | trans | 68.6 | 150.4 | 132.2 | -42.4 | 160.8 | 0 | 0 | 0 | 118.1 | ||||
| 1383 | T | 27.8 | Very low | 27.6 | Very low | 123 Ų | 123 | 117.3 Ų | 117.3 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | trans | 82 | 142.9 | 166.3 | 67.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1384 | N | 25.2 | Very low | 27.6 | Very low | 112 Ų | 112 | 118.5 Ų | 118.5 | 60% | 0.599 | 70% | 0.703 | S | S | * | * | cis | -167.8 | 153.9 | -42.3 | -130.5 | -16.9 | 0 | 0 | 0 | 108.7 | ||||
| 1385 | F | 25.6 | Very low | 27.2 | Very low | 175 Ų | 175 | 116.8 Ų | 116.8 | 77% | 0.768 | 69% | 0.692 | S | S | * | * | trans | 51.4 | 115.2 | 168 | -48.2 | -60.1 | 0 | 0 | 0 | 116.2 | ||||
| 1386 | G | 27.4 | Very low | 26.7 | Very low | 66 Ų | 66 | 116.4 Ų | 116.4 | 68% | 0.68 | 69% | 0.692 | S | S | * | * | cis | 100.5 | 175.5 | 22.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1387 | H | 30.3 | Very low | 26.7 | Very low | 171 Ų | 171 | 122.9 Ų | 122.9 | 79% | 0.792 | 72% | 0.715 | S | S | * | * | trans | 66.8 | 151 | -175.7 | -76.5 | 63.7 | 0 | 0 | 0 | 116.2 | ||||
| 1388 | N | 26.3 | Very low | 26.7 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | cis | -170.5 | 172 | -35 | -143.2 | -30.2 | 0 | 0 | 0 | 108.5 | ||||
| 1389 | I | 27.8 | Very low | 26.7 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 80% | 0.795 | 72% | 0.715 | S | S | * | * | trans | 66.8 | 137.3 | 154.9 | -62 | 154.9 | 0 | 0 | 0 | 117.7 | ||||
| 1390 | G | 27.6 | Very low | 26.5 | Very low | 75 Ų | 75 | 126.9 Ų | 126.9 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | 87.9 | 117.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1391 | G | 27.1 | Very low | 26.7 | Very low | 68 Ų | 68 | 125.3 Ų | 125.3 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | cis | 111.1 | 141 | 2.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1392 | S | 26 | Very low | 26.9 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | 58.9 | 111.3 | 175.1 | 53.2 | 0 | 0 | 0 | 0 | 119.2 | P1394 | S1392-P1394 WeakPolarHBondContact O-CD 3.43Š| ||
| 1393 | M | 27.3 | Very low | 26.8 | Very low | 163 Ų | 163 | 126.7 Ų | 126.7 | 80% | 0.803 | 74% | 0.736 | S | S | * | * | trans | 32.3 | 92.7 | 134.6 | -60.1 | 170.1 | 66 | 0 | 0 | 117.9 | P1395 | M1393-P1395 WeakPolarHBondContact O-CD 3.19Š| ||
| 1394 | P | 29.2 | Very low | 26.8 | Very low | 133 Ų | 133 | 126.1 Ų | 126.1 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | -49.1 | 110 | 116 | 40.7 | -24.2 | 0 | 0 | 0 | 120 | S1392 | S1392-P1394 WeakPolarHBondContact O-CD 3.43Š| |||
| 1395 | P | 25.9 | Very low | 26.9 | Very low | 82 Ų | 82 | 131.3 Ų | 131.3 | 53% | 0.532 | 75% | 0.748 | S | S | . | * | trans | -104.2 | 169.7 | 155.7 | 37.7 | -31.3 | 0 | 0 | 0 | 112.8 | M1393 | M1393-P1395 WeakPolarHBondContact O-CD 3.19Š| ||
| 1396 | S | 23 | Very low | 27 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | -21.9 | 127.5 | 168.2 | 56.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1397 | F | 27.2 | Very low | 27 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 74% | 0.737 | 76% | 0.759 | S | S | * | * | trans | -138.3 | 108.9 | 159.2 | -104.7 | -94.9 | 0 | 0 | 0 | 112.6 | ||||
| 1398 | Q | 27.3 | Very low | 26.8 | Very low | 168 Ų | 168 | 129.2 Ų | 129.2 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | 61.7 | 145.5 | 137.6 | -61.7 | -176.1 | -4.9 | 0 | 0 | 119.2 | ||||
| 1399 | S | 26.9 | Very low | 26.8 | Very low | 89 Ų | 89 | 129.6 Ų | 129.6 | 62% | 0.622 | 76% | 0.762 | S | S | * | * | cis | -158.3 | 148.4 | 18.8 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1400 | L | 24.6 | Very low | 26.6 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | trans | 63.9 | 131 | 153.5 | -56 | 155.7 | 0 | 0 | 0 | 116.7 | ||||
| 1401 | N | 29.6 | Very low | 26.5 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 68% | 0.679 | 76% | 0.76 | S | S | * | * | cis | -153.3 | 152 | 10.5 | -111.5 | -26.9 | 0 | 0 | 0 | 113 | ||||
| 1402 | T | 27.9 | Very low | 26.5 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 48.6 | 104.4 | 153.7 | 53.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1403 | M | 23.2 | Very low | 26.4 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | trans | -49.9 | 160.9 | 135.7 | -92 | -172.8 | -178.1 | 0 | 0 | 112 | ||||
| 1404 | P | 28.2 | Very low | 26.2 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -149.7 | 174.9 | 47.9 | 41.8 | -20.9 | 0 | 0 | 0 | 119.7 | ||||
| 1405 | Y | 27.5 | Very low | 26 | Very low | 221 Ų | 221 | 135.3 Ų | 135.3 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | trans | -0.1 | 135.6 | 146.4 | -64.4 | -105.3 | 0 | 0 | 0 | 119 | ||||
| 1406 | G | 27 | Very low | 26.2 | Very low | 78 Ų | 78 | 136.8 Ų | 136.8 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 164.2 | 109.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1407 | M | 26.7 | Very low | 26.5 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 89% | 0.887 | 76% | 0.755 | S | S | * | * | trans | -55.5 | 146 | 149 | -73 | -87.9 | -80.7 | 0 | 0 | 108.7 | ||||
| 1408 | P | 26.4 | Very low | 26.6 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 71% | 0.714 | 75% | 0.753 | S | S | * | * | -150.4 | -178.2 | 57.5 | 42.1 | -22.4 | 0 | 0 | 0 | 117.2 | |||||
| 1409 | T | 25.9 | Very low | 26.6 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | trans | -58.5 | 143.1 | 153.2 | 43.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1410 | P | 24.6 | Very low | 26.6 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | -154.8 | -178.6 | 84 | 41.1 | -21 | 0 | 0 | 0 | 116.7 | |||||
| 1411 | T | 25.7 | Very low | 26.7 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | trans | -66.5 | 171.2 | 153.7 | 51.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1412 | P | 26.9 | Very low | 26.7 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 66% | 0.662 | 74% | 0.74 | S | S | * | * | cis | -153.9 | -173.3 | 27.2 | 43.6 | -20.3 | 0 | 0 | 0 | 118.9 | ||||
| 1413 | Q | 23.4 | Very low | 26.7 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 73% | 0.729 | 73% | 0.727 | S | S | * | * | trans | 56.2 | 130.2 | 137.3 | -82.3 | 176.7 | -17.4 | 0 | 0 | 125.4 | ||||
| 1414 | F | 23.7 | Very low | 26.9 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 81% | 0.807 | 72% | 0.717 | S | S | * | * | trans | 63.1 | 162.6 | 143.4 | -73 | -64 | 0 | 0 | 0 | 118.3 | ||||
| 1415 | N | 25.3 | Very low | 26.9 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | cis | -155 | -166.4 | 24.3 | -155.8 | -10.3 | 0 | 0 | 0 | 112.4 | ||||
| 1416 | V | 29.7 | Very low | 26.8 | Very low | 114 Ų | 114 | 133 Ų | 133 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | trans | 83.4 | 125.4 | 168.2 | -177.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1417 | Q | 29.5 | Very low | 26.8 | Very low | 147 Ų | 147 | 136.5 Ų | 136.5 | 69% | 0.687 | 70% | 0.7 | S | S | * | * | cis | -159.6 | 147 | -8.7 | -117.2 | 171.6 | 0.1 | 0 | 0 | 110.7 | ||||
| 1418 | Q | 29.5 | Very low | 26.7 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 70% | 0.696 | 70% | 0.698 | S | S | * | * | trans | 60 | 146.5 | 149.2 | -67.4 | 172.8 | 7.2 | 0 | 0 | 119.8 | ||||
| 1419 | Q | 27.1 | Very low | 26.8 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | cis | -161.9 | 143 | -13.9 | -125.9 | 169.4 | -38.5 | 0 | 0 | 110.1 | ||||
| 1420 | Q | 26.9 | Very low | 26.7 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 66% | 0.659 | 70% | 0.695 | S | S | * | * | trans | 60.3 | 145.9 | 151.9 | -71.6 | 164.2 | -87.2 | 0 | 0 | 118.7 | ||||
| 1421 | E | 27.2 | Very low | 26.8 | Very low | 138 Ų | 138 | 141 Ų | 141 | 65% | 0.645 | 70% | 0.698 | S | S | * | * | cis | -152.7 | 162 | -0.5 | -138.5 | 158.9 | -130.1 | 0 | 0 | 112.9 | ||||
| 1422 | H | 29.4 | Very low | 26.9 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 67% | 0.667 | 69% | 0.691 | S | S | * | * | trans | 37.2 | 138.4 | 148.9 | -77.1 | 3.5 | 0 | 0 | 0 | 122 | ||||
| 1423 | N | 27.2 | Very low | 26.7 | Very low | 96 Ų | 96 | 140.4 Ų | 140.4 | 51% | 0.513 | 69% | 0.694 | S | S | . | * | cis | -163.6 | 150.7 | 6.8 | -120.1 | -16.5 | 0 | 0 | 0 | 113.2 | ||||
| 1424 | Q | 27.3 | Very low | 26.9 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 61% | 0.612 | 69% | 0.692 | S | S | * | * | trans | 47.1 | 137.4 | 135.2 | -64.7 | 170.3 | 42.3 | 0 | 0 | 120 | ||||
| 1425 | Q | 28.9 | Very low | 27 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 61% | 0.607 | 69% | 0.689 | S | S | * | * | cis | -163.7 | 156.3 | 11.6 | -124 | 156.4 | 17.3 | 0 | 0 | 111.9 | ||||
| 1426 | Q | 25.5 | Very low | 26.9 | Very low | 147 Ų | 147 | 136 Ų | 136 | 69% | 0.687 | 69% | 0.685 | S | S | * | * | trans | 29.1 | 141.6 | 133.2 | -63.8 | 172.3 | 1.7 | 0 | 0 | 120.3 | ||||
| 1427 | M | 25.3 | Very low | 26.6 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 75% | 0.749 | 69% | 0.685 | S | S | * | * | cis | -164.2 | 166.5 | 7.9 | -126.4 | -173.6 | -55.6 | 0 | 0 | 114 | ||||
| 1428 | R | 24.7 | Very low | 26.3 | Very low | 225 Ų | 225 | 137.2 Ų | 137.2 | 85% | 0.849 | 68% | 0.681 | S | S | * | * | trans | -30.8 | 172.4 | 145.7 | -82.4 | -176.7 | 173.5 | -169.2 | -1.1 | 116.1 | ||||
| 1429 | P | 30 | Very low | 26 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 65% | 0.649 | 68% | 0.675 | S | S | * | * | cis | -144.4 | -156.7 | -33 | 40.4 | -20.1 | 0 | 0 | 0 | 112.6 | ||||
| 1430 | L | 22.3 | Very low | 25.8 | Very low | 146 Ų | 146 | 136.6 Ų | 136.6 | 76% | 0.764 | 68% | 0.677 | S | S | * | * | trans | 62.4 | 114 | 150.7 | -72 | 170.6 | 0 | 0 | 0 | 120.8 | ||||
| 1431 | L | 27.3 | Very low | 25.6 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 82% | 0.822 | 68% | 0.681 | S | S | * | * | trans | 61.7 | -179.9 | 147.2 | -101.5 | 68 | 0 | 0 | 0 | 116.2 | ||||
| 1432 | P | 27.3 | Very low | 25.3 | Very low | 97 Ų | 97 | 133 Ų | 133 | 63% | 0.63 | 68% | 0.683 | S | S | * | * | cis | -127.2 | -158.3 | -28.8 | 31.5 | -10.6 | 0 | 0 | 0 | 111.3 | ||||
| 1433 | T | 22.5 | Very low | 25 | Very low | 117 Ų | 117 | 134 Ų | 134 | 72% | 0.718 | 69% | 0.69 | S | S | * | * | trans | 61.6 | 120.2 | 147.5 | 47.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 1434 | L | 28 | Very low | 24.7 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 69% | 0.686 | 70% | 0.704 | S | S | * | * | 8.8 | 134.2 | 115.7 | -83.7 | 153.7 | 0 | 0 | 0 | 116.4 | Q1436 | L1434-Q1436 HydrophobicContact CD2-CB 4.28Å; L1434-Q1436 HydrophobicContact CD2-CG 3.78Å | |||
| 1435 | P | 25.6 | Very low | 25.1 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 74% | 0.74 | 71% | 0.712 | S | S | * | * | -130.2 | 149.9 | 66.1 | 44.2 | -34.5 | 0 | 0 | 0 | 112.1 | |||||
| 1436 | Q | 23.9 | Very low | 25.1 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 67% | 0.673 | 72% | 0.722 | S | S | * | * | 41.4 | 112.7 | 77.5 | -80.9 | 178.8 | 19.8 | 0 | 0 | 110.4 | L1434 | L1434-Q1436 HydrophobicContact CD2-CB 4.28Å; L1434-Q1436 HydrophobicContact CD2-CG 3.78Å | |||
| 1437 | K | 23.5 | Very low | 25 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 70% | 0.704 | 72% | 0.716 | S | S | * | * | -159.3 | 141.9 | 64.1 | -88.2 | -176.2 | 156.8 | -162 | 0 | 111.6 | |||||
| 1438 | Q | 23 | Very low | 25 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 58% | 0.584 | 72% | 0.724 | S | S | * | * | 55.1 | 135.1 | 123.3 | -53.6 | -176.6 | -74.2 | 0 | 0 | 118.5 | |||||
| 1439 | H | 23.9 | Very low | 25 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 58% | 0.579 | 72% | 0.719 | S | S | * | * | cis | -170 | 162.7 | -3.4 | -113.5 | -27.8 | 0 | 0 | 0 | 108.9 | ||||
| 1440 | Q | 23.2 | Very low | 25 | Very low | 146 Ų | 146 | 135 Ų | 135 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | trans | 59.5 | 122.6 | 140.7 | -68.7 | 155.6 | -21.6 | 0 | 0 | 116.8 | ||||
| 1441 | S | 21.1 | Very low | 25.8 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | 44.6 | 133.3 | 78.3 | 78.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1442 | S | 21.7 | Very low | 25.9 | Very low | 98 Ų | 98 | 130.7 Ų | 130.7 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | cis | -158.5 | 154.6 | 33.4 | 52.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1443 | M | 22.5 | Very low | 25.8 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | 39.4 | 147.1 | 109.8 | -55.9 | -174.7 | 161.9 | 0 | 0 | 118.6 | |||||
| 1444 | M | 21.8 | Very low | 25.9 | Very low | 165 Ų | 165 | 134 Ų | 134 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | trans | 78.7 | 115.5 | 172 | -61 | 164.5 | -178.1 | 0 | 0 | 113.5 | ||||
| 1445 | T | 35.6 | Very low | 25.8 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | 58.4 | 132.4 | 66.8 | 68.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1446 | P | 28.1 | Very low | 25.8 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | cis | -117.5 | -170.1 | 31 | 33.1 | -14 | 0 | 0 | 0 | 112.6 | ||||
| 1447 | G | 24.9 | Very low | 25.8 | Very low | 55 Ų | 55 | 132.7 Ų | 132.7 | 57% | 0.567 | 72% | 0.723 | S | S | * | * | cis | 106.5 | 138.3 | 4.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1448 | W | 24.3 | Very low | 25.9 | Very low | 241 Ų | 241 | 133.8 Ų | 133.8 | 91% | 0.913 | 73% | 0.728 | S | S | * | * | trans | 65.2 | 134.9 | 177.5 | -54.8 | 67 | 0 | 0 | 0 | 113.8 | ||||
| 1449 | N | 25.5 | Very low | 26.3 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | cis | -148.6 | 162.7 | 17.5 | -69.5 | -82.4 | 0 | 0 | 0 | 112.8 | ||||
| 1450 | D | 30 | Very low | 26.3 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | -66.6 | -171.8 | 148.4 | -74.8 | -59.4 | 0 | 0 | 0 | 112 | ||||
| 1451 | P | 38.6 | Very low | 26.4 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | cis | -115.6 | -118.7 | -26.4 | 17.4 | 9.5 | 0 | 0 | 0 | 106.2 | ||||
| 1452 | P | 29.8 | Very low | 26.6 | Very low | 95 Ų | 95 | 135.6 Ų | 135.6 | 62% | 0.617 | 74% | 0.736 | S | S | * | * | cis | -141.1 | -174.5 | -22.2 | 44.7 | -27.1 | 0 | 0 | 0 | 116.3 | ||||
| 1453 | I | 25.5 | Very low | 26.7 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | trans | 70.9 | 137.6 | 152.5 | -77.5 | 165.8 | 0 | 0 | 0 | 116.3 | ||||
| 1454 | L | 24.3 | Very low | 26.8 | Very low | 133 Ų | 133 | 135 Ų | 135 | 70% | 0.696 | 74% | 0.737 | S | S | * | * | cis | -175.6 | 154.4 | -24.1 | -114.8 | 178.6 | 0 | 0 | 0 | 105.1 | ||||
| 1455 | T | 24.8 | Very low | 27 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 73% | 0.73 | 73% | 0.733 | S | S | * | * | trans | 61 | 157.9 | 160 | 53.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1456 | T | 25.6 | Very low | 26.5 | Very low | 115 Ų | 115 | 135 Ų | 135 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | cis | -155.9 | 160.7 | -11.3 | 12.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1457 | D | 24.9 | Very low | 26.9 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 67% | 0.674 | 73% | 0.734 | S | S | * | * | trans | 18.9 | 123.1 | 154.2 | -66.2 | -73.9 | 0 | 0 | 0 | 123.2 | ||||
| 1458 | K | 25 | Very low | 27.3 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 81% | 0.809 | 74% | 0.741 | S | S | * | * | 41 | 159.6 | 115.7 | -75.9 | 175.2 | 179.6 | 172.1 | 0 | 121.7 | |||||
| 1459 | P | 31.4 | Very low | 27.6 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | cis | -139.6 | -176.7 | -14.4 | 38 | -18 | 0 | 0 | 0 | 116.2 | ||||
| 1460 | R | 24.4 | Very low | 27.8 | Very low | 175 Ų | 175 | 136 Ų | 136 | 66% | 0.66 | 72% | 0.724 | S | S | * | * | trans | 60 | 127.1 | 152 | -87.7 | -174.7 | 172.1 | -137.7 | 7.9 | 121.9 | ||||
| 1461 | Q | 25.7 | Very low | 27.9 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 61% | 0.607 | 71% | 0.711 | S | S | * | * | trans | 57.2 | 121.9 | 139.4 | -60.5 | 171 | -62.8 | 0 | 0 | 118.2 | ||||
| 1462 | T | 25.1 | Very low | 27.5 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | -167.2 | 148.8 | 77.4 | 22.6 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1463 | T | 24 | Very low | 27.2 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 73% | 0.73 | 72% | 0.72 | S | S | * | * | trans | 43.8 | 120.2 | 148.5 | 58.5 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1464 | V | 24.1 | Very low | 27.1 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 81% | 0.806 | 71% | 0.707 | S | S | * | * | 57.1 | 104.9 | 126.4 | -174 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1465 | S | 25 | Very low | 27.1 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | 173.3 | 147.5 | 108.2 | 43.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1466 | H | 24.8 | Very low | 27.2 | Very low | 185 Ų | 185 | 136.7 Ų | 136.7 | 86% | 0.856 | 71% | 0.709 | S | S | * | * | trans | 23.4 | 135.6 | 157.5 | -63.4 | -72.6 | 0 | 0 | 0 | 125.7 | ||||
| 1467 | N | 37.2 | Very low | 27.2 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | trans | -36.8 | 162.5 | 141.5 | -105.6 | -17 | 0 | 0 | 0 | 114.6 | ||||
| 1468 | P | 33.8 | Very low | 27.1 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 71% | 0.714 | 71% | 0.711 | S | S | * | * | cis | -151.8 | -162.3 | 49.8 | 42.4 | -19.5 | 0 | 0 | 0 | 118 | ||||
| 1469 | Y | 30.4 | Very low | 27.2 | Very low | 204 Ų | 204 | 133 Ų | 133 | 80% | 0.8 | 71% | 0.709 | S | S | * | * | trans | -56.5 | 179.7 | 178.3 | -70 | -98.2 | 0 | 0 | 0 | 117 | ||||
| 1470 | Y | 29.9 | Very low | 26.9 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 51% | 0.506 | 71% | 0.714 | S | S | . | * | -178.2 | 156.1 | 124.3 | -107 | -138.9 | 0 | 0 | 0 | 114.2 | E1474 | Y1470-E1474 HydrophobicContact CE1-CB 3.86Å; Y1470-E1474 HydrophobicContact CE1-CG 4.26Å; Y1470-E1474 WeakPolarHBondContact OH-CA 3.35Å; Y1470-E1474 WeakPolarHBondContact OH-CB 3.34Å; Y1470-E1474 WeakPolarHBondContact OH-CG 3.41Å; Y1470-E1474 PolarHBondContact OH-N 3.11Å; Y1470-E1474 PolarHBondContact OH-OE1 3.06Å | |||
| 1471 | N | 32.6 | Very low | 27 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 52% | 0.519 | 72% | 0.715 | S | S | . | * | cis | -152.1 | 178 | -4.3 | -145 | 0.8 | 0 | 0 | 0 | 108.8 | M1473 | N1471-M1473 PolarHBondContact OD1-N 2.97Š| ||
| 1472 | P | 28.6 | Very low | 26.9 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | S | Bend | cis | -130.7 | 111.7 | 37.6 | 35 | -13.7 | 0 | 0 | 0 | 116.4 | ||
| 1473 | M | 23.8 | Very low | 26.9 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | 179.5 | 84.6 | 126.1 | -96 | -71.4 | -83.5 | 0 | 0 | 111.1 | N1471 | N1471-M1473 PolarHBondContact OD1-N 2.97Š| |||
| 1474 | E | 23.9 | Very low | 26.8 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 52% | 0.519 | 72% | 0.717 | S | S | . | * | trans | -95.1 | 128.2 | 145.1 | -119.1 | 150.2 | -130 | 0 | 0 | 107.2 | Y1470 | Y1470-E1474 HydrophobicContact CE1-CB 3.86Å; Y1470-E1474 HydrophobicContact CE1-CG 4.26Å; Y1470-E1474 WeakPolarHBondContact OH-CA 3.35Å; Y1470-E1474 WeakPolarHBondContact OH-CB 3.34Å; Y1470-E1474 WeakPolarHBondContact OH-CG 3.41Å; Y1470-E1474 PolarHBondContact OH-N 3.11Å; Y1470-E1474 PolarHBondContact OH-OE1 3.06Å | ||
| 1475 | F | 25 | Very low | 26.8 | Very low | 185 Ų | 185 | 133 Ų | 133 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | trans | -123.1 | 118.1 | 133.2 | -107.9 | -98.9 | 0 | 0 | 0 | 107.4 | ||||
| 1476 | V | 26.7 | Very low | 26.7 | Very low | 107 Ų | 107 | 133 Ų | 133 | 65% | 0.648 | 71% | 0.714 | S | S | * | * | trans | 61.9 | 91.6 | 149.3 | -176.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 1477 | N | 24.6 | Very low | 26.8 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 64% | 0.642 | 71% | 0.711 | S | S | * | * | 34.4 | 105.6 | 100.1 | -61 | -41.5 | 0 | 0 | 0 | 119.4 | |||||
| 1478 | S | 24.1 | Very low | 26.1 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | trans | 64 | 161.6 | 136.5 | 72.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1479 | P | 26.2 | Very low | 25.9 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 77% | 0.766 | 71% | 0.707 | S | S | * | * | cis | -125 | -162.7 | -11.1 | 36 | -16 | 0 | 0 | 0 | 113 | ||||
| 1480 | L | 25.1 | Very low | 25.6 | Very low | 156 Ų | 156 | 123.1 Ų | 123.1 | 82% | 0.817 | 70% | 0.701 | S | S | * | * | trans | -66.8 | 176.8 | 161.2 | -53 | 83.3 | 0 | 0 | 0 | 111 | ||||
| 1481 | P | 25.6 | Very low | 25.4 | Very low | 106 Ų | 106 | 124.5 Ų | 124.5 | 69% | 0.688 | 72% | 0.717 | S | S | * | * | cis | -137.2 | 161.3 | -0.3 | 40.8 | -23.8 | 0 | 0 | 0 | 117.1 | ||||
| 1482 | Q | 24.9 | Very low | 25.2 | Very low | 151 Ų | 151 | 127.1 Ų | 127.1 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | 63.4 | 154.6 | 161 | -67.1 | -178.5 | 10.3 | 0 | 0 | 116 | ||||
| 1483 | P | 24.6 | Very low | 25.2 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 87% | 0.87 | 73% | 0.728 | S | S | * | * | -115.9 | 130.9 | 73.9 | -0.8 | 21.7 | 0 | 0 | 0 | 113.5 | |||||
| 1484 | N | 22 | Very low | 25.8 | Very low | 105 Ų | 105 | 126 Ų | 126 | 56% | 0.561 | 72% | 0.718 | S | S | * | * | trans | -67.1 | 161.5 | 147.5 | -90.6 | -35.1 | 0 | 0 | 0 | 109.6 | ||||
| 1485 | N | 24.3 | Very low | 25.8 | Very low | 138 Ų | 138 | 126.3 Ų | 126.3 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | trans | 61.6 | 109.4 | 155.2 | -61.6 | -14.7 | 0 | 0 | 0 | 118.4 | ||||
| 1486 | S | 23.5 | Very low | 25.7 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | 78.2 | 162.4 | 120.6 | 75.1 | 0 | 0 | 0 | 0 | 120 | |||||
| 1487 | V | 25.3 | Very low | 25.7 | Very low | 131 Ų | 131 | 123.8 Ų | 123.8 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | trans | 65.7 | 103.1 | 171.1 | -141.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1488 | S | 22.7 | Very low | 25.6 | Very low | 101 Ų | 101 | 124.7 Ų | 124.7 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | trans | -48.6 | -170.2 | 147.6 | 55.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 1489 | P | 29.2 | Very low | 25.5 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 68% | 0.675 | 71% | 0.713 | S | S | * | * | cis | -133.7 | -172.1 | -1.3 | 36.3 | -15.8 | 0 | 0 | 0 | 113.6 | ||||
| 1490 | S | 24.9 | Very low | 25.5 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | trans | 63.9 | 148.4 | 143.1 | 70.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1491 | N | 26.5 | Very low | 25.4 | Very low | 158 Ų | 158 | 125.4 Ų | 125.4 | 85% | 0.845 | 70% | 0.703 | S | S | * | * | cis | -142.5 | 154.5 | 23.4 | -127.3 | -26.7 | 0 | 0 | 0 | 113.7 | ||||
| 1492 | F | 28 | Very low | 25.4 | Very low | 153 Ų | 153 | 126 Ų | 126 | 67% | 0.671 | 71% | 0.705 | S | S | * | * | trans | -84.9 | 177.9 | 178.6 | -109.3 | -76.5 | 0 | 0 | 0 | 111.6 | Q1494 | F1492-Q1494 HydrophobicContact CD1-CB 4.37Å; F1492-Q1494 HydrophobicContact CD1-CG 3.8Å; F1492-Q1494 HydrophobicContact CE1-CG 3.8Å; F1492-Q1494 HydrophobicContact CG-CG 4.34Å; F1492-Q1494 HydrophobicContact CZ-CG 4.35Å | ||
| 1493 | P | 29.1 | Very low | 25.4 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 84% | 0.838 | 70% | 0.702 | S | S | * | * | -129.3 | 103 | 103.8 | 35.4 | -28.8 | 0 | 0 | 0 | 113.9 | |||||
| 1494 | Q | 35.1 | Very low | 25.5 | Very low | 124 Ų | 124 | 124 Ų | 124 | 58% | 0.579 | 70% | 0.699 | S | S | * | * | trans | -70.3 | 172.3 | 138.7 | -78.6 | 175.8 | -28.7 | 0 | 0 | 108.4 | F1492 | F1492-Q1494 HydrophobicContact CD1-CB 4.37Å; F1492-Q1494 HydrophobicContact CD1-CG 3.8Å; F1492-Q1494 HydrophobicContact CE1-CG 3.8Å; F1492-Q1494 HydrophobicContact CG-CG 4.34Å; F1492-Q1494 HydrophobicContact CZ-CG 4.35Å | ||
| 1495 | P | 25 | Very low | 26.1 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 77% | 0.766 | 70% | 0.702 | S | S | * | * | -122 | 143.8 | 110.6 | -5 | 24.5 | 0 | 0 | 0 | 114.4 | |||||
| 1496 | M | 22.9 | Very low | 26.4 | Very low | 134 Ų | 134 | 122.6 Ų | 122.6 | 66% | 0.66 | 70% | 0.703 | S | S | * | * | trans | 62.4 | 90.7 | 137.1 | -54.7 | -63.7 | -79.4 | 0 | 0 | 117.9 | ||||
| 1497 | T | 26.1 | Very low | 26.6 | Very low | 104 Ų | 104 | 124.4 Ų | 124.4 | 64% | 0.638 | 70% | 0.704 | S | S | * | * | 21.7 | 129.3 | 91.9 | -29.6 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1498 | E | 22.3 | Very low | 27.1 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 65% | 0.65 | 70% | 0.701 | S | S | * | * | 176.1 | 124.5 | 107.4 | -92.8 | -173.8 | 179.1 | 0 | 0 | 115.4 | |||||
| 1499 | L | 23 | Very low | 27.4 | Very low | 111 Ų | 111 | 124.5 Ų | 124.5 | 58% | 0.581 | 71% | 0.705 | S | S | * | * | trans | 67 | 168.1 | 133.2 | -59.7 | 166.8 | 0 | 0 | 0 | 121.4 | ||||
| 1500 | Y | 25.1 | Very low | 27.4 | Very low | 181 Ų | 181 | 122.9 Ų | 122.9 | 71% | 0.71 | 71% | 0.707 | S | S | * | * | trans | 64.5 | 95.5 | 165.9 | -52.1 | -59.2 | 0 | 0 | 0 | 116.8 | ||||
| 1501 | T | 23.5 | Very low | 27.5 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 68% | 0.675 | 72% | 0.719 | S | S | * | * | 72.3 | 168.4 | 70.3 | 69.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1502 | T | 24.8 | Very low | 27.6 | Very low | 118 Ų | 118 | 127.2 Ų | 127.2 | 72% | 0.724 | 71% | 0.713 | S | S | * | * | trans | 57.5 | 90.1 | 166.6 | 47.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1503 | S | 25.4 | Very low | 27.6 | Very low | 93 Ų | 93 | 126.1 Ų | 126.1 | 65% | 0.65 | 72% | 0.718 | S | S | * | * | 87 | 135.2 | 65.8 | 69.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1504 | N | 26.3 | Very low | 27.4 | Very low | 152 Ų | 152 | 126.5 Ų | 126.5 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | trans | 84.5 | 148.2 | 149.5 | -71.2 | -3.7 | 0 | 0 | 0 | 121 | ||||
| 1505 | P | 35.7 | Very low | 27.3 | Very low | 95 Ų | 95 | 124.5 Ų | 124.5 | 62% | 0.617 | 73% | 0.731 | S | S | * | * | trans | -92.6 | -174.5 | -178 | 42.9 | -39.5 | 0 | 0 | 0 | 111.7 | L1507 | P1505-L1507 HydrophobicContact CG-CD1 4.43Š| ||
| 1506 | P | 30 | Very low | 27.4 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | -131.4 | 162.2 | 86.1 | 17.3 | 5.8 | 0 | 0 | 0 | 112.1 | |||||
| 1507 | L | 27.4 | Very low | 27.8 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | cis | 64.6 | 151.8 | 48.9 | -65.2 | 162.8 | 0 | 0 | 0 | 113.7 | P1505 | P1505-L1507 HydrophobicContact CG-CD1 4.43Š| ||
| 1508 | P | 36.5 | Very low | 27.9 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | -116.7 | -106 | -60.1 | 28.4 | -10.8 | 0 | 0 | 0 | 109.5 | |||||
| 1509 | P | 28.9 | Very low | 28.1 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | -116.1 | 179.9 | -67.8 | 37.2 | -22.6 | 0 | 0 | 0 | 113.9 | |||||
| 1510 | G | 28.9 | Very low | 28.5 | Very low | 70 Ų | 70 | 129.4 Ų | 129.4 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | 126.9 | 99.1 | 135 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1511 | Y | 27.2 | Very low | 28.8 | Very low | 234 Ų | 234 | 127.4 Ų | 127.4 | 92% | 0.918 | 77% | 0.769 | S | S | * | * | trans | -54.9 | 148.7 | 149.8 | -67.8 | -95.5 | 0 | 0 | 0 | 110.4 | ||||
| 1512 | P | 28.3 | Very low | 29.3 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | -151 | 145.5 | 87.9 | 40.9 | -23.1 | 0 | 0 | 0 | 117.6 | |||||
| 1513 | V | 27.7 | Very low | 29.7 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | 63.3 | 139.3 | 121.2 | -177.1 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1514 | T | 26.4 | Very low | 30.3 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | -31.4 | 141.1 | 170.2 | 58.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1515 | G | 31.3 | Very low | 30.9 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -158 | 142.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1516 | L | 27.5 | Very low | 30.9 | Very low | 162 Ų | 162 | 127.6 Ų | 127.6 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | -99.3 | 159.7 | -179.3 | -85 | 161 | 0 | 0 | 0 | 112.3 | ||||
| 1517 | N | 31.2 | Very low | 31.4 | Very low | 137 Ų | 137 | 127.2 Ų | 127.2 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | 81.5 | 110.8 | 155.3 | -63.9 | -24.1 | 0 | 0 | 0 | 121.5 | ||||
| 1518 | V | 27.8 | Very low | 31.7 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | 82.2 | 140 | 121.6 | 174.6 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 1519 | C | 27 | Very low | 31.3 | Very low | 107 Ų | 107 | 127 Ų | 127 | 72% | 0.723 | 79% | 0.79 | S | S | * | * | trans | 82.7 | 117.1 | 165.1 | -86.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1520 | Q | 31.8 | Very low | 31.4 | Very low | 176 Ų | 176 | 130.5 Ų | 130.5 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | 45.9 | 106.5 | 140.5 | -66.3 | 180 | -37.9 | 0 | 0 | 119.8 | ||||
| 1521 | P | 32.4 | Very low | 31.3 | Very low | 138 Ų | 138 | 133.6 Ų | 133.6 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | trans | -83.1 | 134.6 | 170.9 | 33 | -32.7 | 0 | 0 | 0 | 113.2 | ||||
| 1522 | A | 32.4 | Very low | 31.5 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | -148.1 | 160.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1523 | P | 34.2 | Very low | 31.5 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -103.5 | -158.6 | -167.5 | 41.1 | -35.2 | 0 | 0 | 0 | 113.3 | ||||
| 1524 | P | 38.6 | Very low | 32.1 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | -114.5 | -177.3 | -56.9 | 36.3 | -20.9 | 0 | 0 | 0 | 111.6 | |||||
| 1525 | P | 37.4 | Very low | 32.4 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | -158.3 | 179.5 | 105.9 | 40 | -20.1 | 0 | 0 | 0 | 116.8 | |||||
| 1526 | P | 36.1 | Very low | 32.2 | Very low | 124 Ų | 124 | 130.7 Ų | 130.7 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | trans | -117.2 | -145.9 | -176.2 | 47.7 | -35.1 | 0 | 0 | 0 | 114.1 | ||||
| 1527 | P | 41 | Very low | 32.3 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | trans | -115.6 | -174.2 | -130.8 | 41.9 | -23.3 | 0 | 0 | 0 | 115.8 | ||||
| 1528 | P | 34.1 | Very low | 32.2 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | -129.2 | 164.1 | 155 | 38.2 | -26 | 0 | 0 | 0 | 115.2 | ||||
| 1529 | V | 27.8 | Very low | 32.4 | Very low | 122 Ų | 122 | 128 Ų | 128 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | trans | -131.3 | 142.7 | 178.7 | 169.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 1530 | Q | 30.5 | Very low | 32.7 | Very low | 195 Ų | 195 | 129 Ų | 129 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | trans | -168.6 | 153.7 | 145.5 | -110.8 | 157.8 | 14.7 | 0 | 0 | 117.6 | ||||
| 1531 | N | 27.5 | Very low | 32.6 | Very low | 135 Ų | 135 | 127.4 Ų | 127.4 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | -89 | 154.6 | -171.7 | -41.8 | -45.4 | 0 | 0 | 0 | 114.3 | ||||
| 1532 | S | 31.2 | Very low | 32.5 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | -175.6 | 110.2 | 135.3 | 51.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1533 | I | 28.3 | Very low | 32.3 | Very low | 151 Ų | 151 | 129 Ų | 129 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | 80 | 125.4 | 67.6 | -67.1 | 173.9 | 0 | 0 | 0 | 113.1 | |||||
| 1534 | P | 39.1 | Very low | 31.9 | Very low | 112 Ų | 112 | 131 Ų | 131 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -104.9 | 175.1 | -167.1 | 42.3 | -39 | 0 | 0 | 0 | 115.6 | ||||
| 1535 | P | 32.9 | Very low | 31.3 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -138.3 | 139.7 | 141.7 | 27.3 | -8.4 | 0 | 0 | 0 | 112.8 | ||||
| 1536 | I | 27.1 | Very low | 30.7 | Very low | 146 Ų | 146 | 134 Ų | 134 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | cis | 110.5 | 148.7 | 49.6 | -84.1 | 164.9 | 0 | 0 | 0 | 111.8 | ||||
| 1537 | N | 29.1 | Very low | 30.4 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | 77 | 146.8 | 170 | -72.6 | -10.4 | 0 | 0 | 0 | 118.9 | ||||
| 1538 | A | 30.8 | Very low | 30.2 | Very low | 72 Ų | 72 | 135.9 Ų | 135.9 | 60% | 0.595 | 76% | 0.756 | S | S | * | * | cis | -164.7 | 163.3 | -21.6 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 1539 | D | 31.2 | Very low | 30 | Very low | 144 Ų | 144 | 135 Ų | 135 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | 160.6 | 157.2 | 69.5 | -112.7 | -25.1 | 0 | 0 | 0 | 105.6 | |||||
| 1540 | I | 32.2 | Very low | 30.1 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | cis | -164.4 | 157 | -3.3 | -146.5 | 167.9 | 0 | 0 | 0 | 110 | ||||
| 1541 | I | 31.2 | Very low | 30.2 | Very low | 141 Ų | 141 | 132.9 Ų | 132.9 | 72% | 0.723 | 75% | 0.748 | S | S | * | * | trans | 65.6 | 115.9 | 164.9 | -68.2 | 166.1 | 0 | 0 | 0 | 117.1 | ||||
| 1542 | H | 29.5 | Very low | 30.1 | Very low | 177 Ų | 177 | 131.2 Ų | 131.2 | 82% | 0.819 | 74% | 0.743 | S | S | * | * | 64.5 | 157.3 | 62.8 | -87 | -65.4 | 0 | 0 | 0 | 116.1 | |||||
| 1543 | P | 28 | Very low | 29.8 | Very low | 89 Ų | 89 | 133.9 Ų | 133.9 | 58% | 0.578 | 74% | 0.743 | S | S | * | * | cis | -133.5 | 177 | 4 | 42.8 | -26.4 | 0 | 0 | 0 | 116.9 | ||||
| 1544 | Q | 26.7 | Very low | 29.6 | Very low | 162 Ų | 162 | 131.6 Ų | 131.6 | 76% | 0.757 | 74% | 0.736 | S | S | * | * | trans | 56.3 | 126.2 | 147.1 | -71 | 149.9 | -0.2 | 0 | 0 | 120 | ||||
| 1545 | Q | 25.7 | Very low | 29 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | 54.4 | 140.5 | 77.2 | -78.1 | -170.9 | -18.7 | 0 | 0 | 115 | |||||
| 1546 | P | 25.4 | Very low | 28.5 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | cis | -136.1 | -163.6 | 13.4 | 36.2 | -13.2 | 0 | 0 | 0 | 115.1 | ||||
| 1547 | L | 30.3 | Very low | 28.3 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | trans | -72.1 | 172.7 | 155.1 | -51.1 | 85.9 | 0 | 0 | 0 | 109.7 | ||||
| 1548 | P | 34.8 | Very low | 28 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | cis | -120.7 | -135.1 | -2.5 | 33.1 | -8.3 | 0 | 0 | 0 | 108.3 | ||||
| 1549 | P | 30.4 | Very low | 27.6 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | cis | -134.4 | -167.6 | -14.7 | 43.1 | -24.1 | 0 | 0 | 0 | 115.2 | ||||
| 1550 | L | 31.2 | Very low | 27.2 | Very low | 138 Ų | 138 | 130.3 Ų | 130.3 | 72% | 0.723 | 72% | 0.716 | S | S | * | * | trans | -68.2 | 142.9 | 159.7 | -103.5 | 74.1 | 0 | 0 | 0 | 111.7 | T1552 | L1550-T1552 HydrophobicContact CB-CG2 4.46Å; L1550-T1552 HydrophobicContact CD2-CG2 3.91Å; L1550-T1552 PolarHBondContact O-N 2.94Å | ||
| 1551 | P | 31.6 | Very low | 26.8 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 86% | 0.864 | 71% | 0.71 | S | S | * | * | trans | -87.6 | 76.2 | 151 | 34.9 | -30 | 0 | 0 | 0 | 109.9 | H1553 | P1551-H1553 PolarHBondContact O-N 3.26Š| ||
| 1552 | T | 24.6 | Very low | 26.4 | Very low | 101 Ų | 101 | 128 Ų | 128 | 62% | 0.62 | 71% | 0.712 | S | S | * | * | trans | -64.4 | 130.3 | 152.9 | 47.4 | 0 | 0 | 0 | 0 | 108 | L1550 | L1550-T1552 HydrophobicContact CB-CG2 4.46Å; L1550-T1552 HydrophobicContact CD2-CG2 3.91Å; L1550-T1552 PolarHBondContact O-N 2.94Å | ||
| 1553 | H | 26 | Very low | 26.2 | Very low | 168 Ų | 168 | 127.2 Ų | 127.2 | 78% | 0.778 | 71% | 0.71 | S | S | * | * | trans | -165.3 | 137 | 139.1 | -121.7 | -123.9 | 0 | 0 | 0 | 111.5 | P1551 | P1551-H1553 PolarHBondContact O-N 3.26Š| ||
| 1554 | V | 23.9 | Very low | 26.1 | Very low | 103 Ų | 103 | 134 Ų | 134 | 62% | 0.624 | 72% | 0.724 | S | S | * | * | trans | 41.2 | 120.1 | 135.8 | 176.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1555 | Q | 25.4 | Very low | 26.8 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | cis | -149.2 | 138.6 | 49.6 | -159.5 | 134.3 | -11 | 0 | 0 | 114.5 | ||||
| 1556 | Q | 24.2 | Very low | 26.8 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 59% | 0.593 | 71% | 0.71 | S | S | * | * | trans | 40.5 | 119.2 | 145.3 | -73.9 | 171.5 | -38.5 | 0 | 0 | 120.5 | ||||
| 1557 | Q | 22.8 | Very low | 26.8 | Very low | 160 Ų | 160 | 127.5 Ų | 127.5 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | 76.1 | 142.2 | 117.4 | -67.1 | 169.9 | -19.2 | 0 | 0 | 118.6 | |||||
| 1558 | S | 22.6 | Very low | 26.6 | Very low | 92 Ų | 92 | 128.6 Ų | 128.6 | 64% | 0.643 | 71% | 0.705 | S | S | * | * | cis | -167.6 | -178.8 | -10.5 | 46.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 1559 | S | 22.3 | Very low | 26.3 | Very low | 78 Ų | 78 | 130.8 Ų | 130.8 | 55% | 0.545 | 71% | 0.705 | S | S | . | * | trans | 53.1 | 85 | 138 | 62 | 0 | 0 | 0 | 0 | 115.7 | S1561 | S1559-S1561 PolarHBondContact O-OG 3.13Š| ||
| 1560 | S | 22.9 | Very low | 26.2 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | 76.7 | -157.2 | 87.9 | 70.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1561 | S | 23.7 | Very low | 25.7 | Very low | 78 Ų | 78 | 128 Ų | 128 | 55% | 0.545 | 70% | 0.697 | S | S | . | * | trans | 53.3 | 126.1 | 143.7 | 50.2 | 0 | 0 | 0 | 0 | 119.6 | S1559 | S1559-S1561 PolarHBondContact O-OG 3.13Š| ||
| 1562 | L | 23.2 | Very low | 25.4 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 75% | 0.749 | 70% | 0.697 | S | S | * | * | cis | -179.7 | 161.1 | -6.7 | -125.2 | 144.1 | 0 | 0 | 0 | 105.4 | ||||
| 1563 | M | 24.9 | Very low | 25.3 | Very low | 161 Ų | 161 | 131.8 Ų | 131.8 | 79% | 0.793 | 70% | 0.698 | S | S | * | * | trans | 68.4 | 138.5 | 166.7 | -60.2 | 170 | 173.2 | 0 | 0 | 114.7 | ||||
| 1564 | R | 25.2 | Very low | 25.2 | Very low | 230 Ų | 230 | 132.2 Ų | 132.2 | 87% | 0.868 | 70% | 0.7 | S | S | * | * | cis | 74.7 | 145.8 | 31.2 | -150.5 | -139.7 | 179.8 | -179.2 | 1.9 | 111.9 | ||||
| 1565 | P | 41.1 | Very low | 25.2 | Very low | 81 Ų | 81 | 132.9 Ų | 132.9 | 53% | 0.526 | 71% | 0.705 | S | S | . | * | -93.3 | -169.5 | -99.7 | 38.3 | -19.1 | 0 | 0 | 0 | 112 | I1567 | P1565-I1567 HydrophobicContact CG-CD1 3.86Å; P1565-I1567 HydrophobicContact CG-CG1 4.03Å | |||
| 1566 | P | 26.8 | Very low | 25.1 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | -129.4 | 152.5 | 95.1 | 13.4 | 8.9 | 0 | 0 | 0 | 111.4 | |||||
| 1567 | I | 25.7 | Very low | 25.3 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 64% | 0.636 | 73% | 0.726 | S | S | * | * | 66.5 | 122.5 | 52.5 | -55.7 | 165.1 | 0 | 0 | 0 | 108.3 | P1565 | P1565-I1567 HydrophobicContact CG-CD1 3.86Å; P1565-I1567 HydrophobicContact CG-CG1 4.03Å | |||
| 1568 | Q | 24.7 | Very low | 25.5 | Very low | 179 Ų | 179 | 131.5 Ų | 131.5 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | cis | -156.6 | 159.3 | 45.7 | -145 | 139.8 | 21.1 | 0 | 0 | 114.4 | ||||
| 1569 | Q | 30 | Very low | 25.9 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | trans | -66 | 171.4 | 155.3 | -74.7 | 170.2 | -17.7 | 0 | 0 | 110.5 | ||||
| 1570 | P | 27.5 | Very low | 26 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | cis | -129.1 | 167.4 | 35.1 | 17.7 | 9.7 | 0 | 0 | 0 | 115.2 | ||||
| 1571 | S | 21.7 | Very low | 26 | Very low | 76 Ų | 76 | 136.3 Ų | 136.3 | 53% | 0.531 | 73% | 0.728 | S | S | . | * | cis | 90.6 | 144.1 | 33 | -49.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1572 | Y | 23.9 | Very low | 26 | Very low | 221 Ų | 221 | 139.2 Ų | 139.2 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | trans | 76.2 | 144.7 | 173.5 | -55.5 | -73.4 | 0 | 0 | 0 | 116.4 | ||||
| 1573 | S | 23 | Very low | 25.9 | Very low | 91 Ų | 91 | 139.6 Ų | 139.6 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | cis | -164.5 | 161 | -7.3 | 39.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1574 | Q | 23.1 | Very low | 25.8 | Very low | 177 Ų | 177 | 140 Ų | 140 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | trans | 21.3 | 136.2 | 140.2 | -57 | 165 | -35.2 | 0 | 0 | 118.5 | ||||
| 1575 | V | 24.6 | Very low | 26 | Very low | 118 Ų | 118 | 139.4 Ų | 139.4 | 72% | 0.715 | 73% | 0.731 | S | S | * | * | -171.1 | 118.5 | 77.5 | 154 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 1576 | Q | 24.1 | Very low | 25.4 | Very low | 188 Ų | 188 | 140.6 Ų | 140.6 | 88% | 0.879 | 74% | 0.738 | S | S | * | * | 73.4 | 109.5 | 93 | -146.6 | 174.2 | -7.4 | 0 | 0 | 114.2 | |||||
| 1577 | G | 26.7 | Very low | 25.3 | Very low | 83 Ų | 83 | 140.7 Ų | 140.7 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | trans | -171.6 | 46.4 | -172 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1578 | V | 27.6 | Very low | 25.2 | Very low | 136 Ų | 136 | 143.6 Ų | 143.6 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | trans | -86.3 | 155.2 | 179.2 | 148.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1579 | P | 30.7 | Very low | 25.2 | Very low | 88 Ų | 88 | 143 Ų | 143 | 57% | 0.571 | 73% | 0.732 | S | S | * | * | cis | -146.9 | -154.8 | -24.4 | 41 | -19.2 | 0 | 0 | 0 | 114 | ||||
| 1580 | H | 25 | Very low | 25 | Very low | 154 Ų | 154 | 143.3 Ų | 143.3 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | trans | 72.2 | 161.4 | 149.2 | -72.5 | -0.1 | 0 | 0 | 0 | 118.1 | ||||
| 1581 | Q | 23.1 | Very low | 25.3 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | cis | -158 | 169 | -5 | -125.3 | 160.1 | -2 | 0 | 0 | 111.2 | ||||
| 1582 | Q | 22.7 | Very low | 25.2 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | trans | 68.2 | 130.2 | 151.1 | -82.1 | 151.7 | -17.9 | 0 | 0 | 118.1 | ||||
| 1583 | E | 22.4 | Very low | 25.2 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | 58.6 | 129 | 89 | -61.1 | 176.4 | -159.7 | 0 | 0 | 112.2 | |||||
| 1584 | Q | 22 | Very low | 25.2 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | cis | -163.3 | 156.5 | 46 | -126.4 | 146.2 | 49.1 | 0 | 0 | 112 | ||||
| 1585 | Y | 29.2 | Very low | 25.2 | Very low | 218 Ų | 218 | 140.9 Ų | 140.9 | 86% | 0.855 | 73% | 0.729 | S | S | * | * | trans | -61.5 | 152.2 | 153.1 | -84 | -85.1 | 0 | 0 | 0 | 109.1 | ||||
| 1586 | P | 29.6 | Very low | 25.1 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | -163.6 | 162.8 | 71.9 | 44 | -22.1 | 0 | 0 | 0 | 121.3 | |||||
| 1587 | N | 24.1 | Very low | 25.1 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 65% | 0.647 | 72% | 0.72 | S | S | * | * | trans | 47.5 | 151.2 | 130.6 | -57.7 | -15.2 | 0 | 0 | 0 | 126.4 | ||||
| 1588 | Y | 24.2 | Very low | 24.9 | Very low | 186 Ų | 186 | 140.5 Ų | 140.5 | 73% | 0.729 | 72% | 0.717 | S | S | * | * | trans | 71 | 152 | 144 | -71.4 | -45.8 | 0 | 0 | 0 | 119 | ||||
| 1589 | F | 24.7 | Very low | 24.7 | Very low | 167 Ų | 167 | 142.3 Ų | 142.3 | 73% | 0.732 | 71% | 0.714 | S | S | * | * | cis | -140.8 | 161.5 | 3.5 | -119.5 | -60.5 | 0 | 0 | 0 | 112.3 | ||||
| 1590 | Q | 25.2 | Very low | 24.4 | Very low | 168 Ų | 168 | 143.2 Ų | 143.2 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | trans | -77.2 | -171 | 165.7 | -68.9 | 177.4 | -78.8 | 0 | 0 | 112.1 | ||||
| 1591 | P | 32.6 | Very low | 24.4 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | cis | -131.2 | -161.1 | -48.7 | 32.8 | -12.9 | 0 | 0 | 0 | 111.8 | ||||
| 1592 | S | 21.7 | Very low | 24.6 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 75% | 0.748 | 73% | 0.725 | S | S | * | * | trans | 75.8 | 159.9 | 151.8 | -60.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1593 | V | 23.2 | Very low | 24.8 | Very low | 115 Ų | 115 | 141 Ų | 141 | 70% | 0.697 | 73% | 0.732 | S | S | * | * | cis | -157.8 | 137.8 | -23.1 | 130.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1594 | E | 22.4 | Very low | 25.2 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | trans | 50.4 | 161.7 | 154.9 | -71 | -175.4 | -155.8 | 0 | 0 | 125 | ||||
| 1595 | Q | 23 | Very low | 25.5 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | trans | 75 | 99.5 | 146.9 | -81.9 | 174.2 | 67.1 | 0 | 0 | 121.5 | ||||
| 1596 | T | 22.7 | Very low | 25.5 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | 72.6 | 104.1 | 128.4 | 55.1 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1597 | S | 24 | Very low | 25.3 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | 85.5 | 124.2 | 116 | 74.1 | 0 | 0 | 0 | 0 | 122 | |||||
| 1598 | Q | 23.1 | Very low | 25.4 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | 89 | 103.9 | 138 | -73.5 | -177.3 | 14 | 0 | 0 | 122.2 | ||||
| 1599 | F | 23.5 | Very low | 25.6 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 76% | 0.763 | 75% | 0.745 | S | S | * | * | trans | 73 | 108.4 | 133.9 | -70.4 | -62.9 | 0 | 0 | 0 | 123.2 | ||||
| 1600 | S | 24.6 | Very low | 25.7 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | 69.5 | 154.1 | 139.1 | 77.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1601 | N | 25.1 | Very low | 25.7 | Very low | 141 Ų | 141 | 128.3 Ų | 128.3 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | cis | -164.5 | 172.6 | -1.3 | -124.4 | -10.8 | 0 | 0 | 0 | 107.6 | ||||
| 1602 | I | 26.5 | Very low | 25.3 | Very low | 131 Ų | 131 | 130 Ų | 130 | 67% | 0.672 | 76% | 0.759 | S | S | * | * | cis | -158 | 161.5 | 5.4 | -144.3 | 160.7 | 0 | 0 | 0 | 109.5 | ||||
| 1603 | S | 26.7 | Very low | 25.4 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | 64.4 | 146.6 | 170.3 | 70.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1604 | S | 30.7 | Very low | 25.4 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | cis | -142.9 | 145 | 25.7 | 46.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1605 | S | 29.8 | Very low | 25.5 | Very low | 97 Ų | 97 | 127.3 Ų | 127.3 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | 47 | 95.3 | 153.2 | 57.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1606 | L | 28.3 | Very low | 25.5 | Very low | 161 Ų | 161 | 126.8 Ų | 126.8 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | 57.6 | 142.3 | 119.8 | -63.3 | 155.1 | 0 | 0 | 0 | 121.4 | |||||
| 1607 | P | 25.3 | Very low | 25.6 | Very low | 111 Ų | 111 | 126.3 Ų | 126.3 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | cis | -140.9 | 110 | -37.8 | 33.9 | -13.9 | 0 | 0 | 0 | 114 | ||||
| 1608 | P | 26.4 | Very low | 25.6 | Very low | 119 Ų | 119 | 132 Ų | 132 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | -85.8 | 171.2 | 151.4 | 34.7 | -31.2 | 0 | 0 | 0 | 110.8 | ||||
| 1609 | M | 27.6 | Very low | 25.7 | Very low | 191 Ų | 191 | 129 Ų | 129 | 94% | 0.941 | 76% | 0.758 | S | S | * | * | trans | 72.9 | 92.5 | -179.8 | -56.6 | -63.8 | -176 | 0 | 0 | 116.9 | ||||
| 1610 | S | 27.2 | Very low | 25.6 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 88% | 0.881 | 76% | 0.757 | S | S | * | * | trans | -138.7 | 140.3 | 136.6 | 61.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 1611 | S | 25.5 | Very low | 25.5 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -100.2 | 125.6 | -165.5 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1612 | V | 25.1 | Very low | 25.3 | Very low | 140 Ų | 140 | 130.4 Ų | 130.4 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | trans | -130.7 | 84.3 | 154.2 | -173.8 | 0 | 0 | 0 | 0 | 108.6 | P1614 | V1612-P1614 WeakPolarHBondContact O-CD 3.47Š| ||
| 1613 | V | 23.7 | Very low | 25.2 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | trans | -73 | 121.8 | 158.1 | 172.4 | 0 | 0 | 0 | 0 | 106.6 | P1615 | V1613-P1615 VanDerWaalsContact O-CD 3.23Å; V1613-P1615 WeakPolarHBondContact O-CD 3.14Å | ||
| 1614 | P | 23.5 | Very low | 25.1 | Very low | 102 Ų | 102 | 137 Ų | 137 | 66% | 0.662 | 76% | 0.761 | S | S | * | * | trans | -70.4 | 111.9 | 155.5 | 29.5 | -28.3 | 0 | 0 | 0 | 106.5 | V1612 N1616 | V1612-P1614 WeakPolarHBondContact O-CD 3.47Å; P1614-N1616 PolarHBondContact O-N 3.45Å | ||
| 1615 | P | 23.8 | Very low | 24.9 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | trans | -66.2 | 126.5 | 177.4 | 28.7 | -33.4 | 0 | 0 | 0 | 108.2 | V1613 P1617 | V1613-P1615 VanDerWaalsContact O-CD 3.23Å; V1613-P1615 WeakPolarHBondContact O-CD 3.14Å; P1615-P1617 WeakPolarHBondContact O-CD 3.34Å | ||
| 1616 | N | 23.7 | Very low | 24.6 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | -100.1 | 80.5 | 167.2 | -94.8 | -5.9 | 0 | 0 | 0 | 109 | P1614 Y1618 | P1614-N1616 PolarHBondContact O-N 3.45Å; N1616-Y1618 PolarHBondContact O-N 2.99Å | ||
| 1617 | P | 24.8 | Very low | 24.3 | Very low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | trans | -78.7 | 66.3 | 171.8 | 36 | -36.9 | 0 | 0 | 0 | 110.2 | P1615 S1619 | P1615-P1617 WeakPolarHBondContact O-CD 3.34Å; P1617-S1619 PolarHBondContact O-N 2.71Å; P1617-S1619 VanDerWaalsContact O-N 3.13Å | ||
| 1618 | Y | 23.4 | Very low | 24.3 | Very low | 220 Ų | 220 | 137.9 Ų | 137.9 | 86% | 0.863 | 77% | 0.772 | S | S | * | * | trans | -81.9 | 68.3 | 158.6 | -87.5 | -76.1 | 0 | 0 | 0 | 108.6 | N1616 | N1616-Y1618 PolarHBondContact O-N 2.99Š| ||
| 1619 | S | 24.2 | Very low | 24.2 | Very low | 101 Ų | 101 | 136 Ų | 136 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -90.6 | 141.6 | 174.5 | 51.8 | 0 | 0 | 0 | 0 | 111 | P1617 | P1617-S1619 PolarHBondContact O-N 2.71Å; P1617-S1619 VanDerWaalsContact O-N 3.13Å | ||
| 1620 | Q | 21.3 | Very low | 24 | Very low | 158 Ų | 158 | 131 Ų | 131 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | trans | -68.2 | -171.7 | -171.8 | -59.3 | 144.9 | -51.7 | 0 | 0 | 114.1 | ||||
| 1621 | F | 22.4 | Very low | 23.8 | Very low | 170 Ų | 170 | 129.4 Ų | 129.4 | 75% | 0.746 | 73% | 0.725 | S | S | * | * | trans | 82.1 | 140.6 | 170.4 | -61.2 | -91.8 | 0 | 0 | 0 | 117 | ||||
| 1622 | N | 22.7 | Very low | 23.7 | Very low | 123 Ų | 123 | 131 Ų | 131 | 66% | 0.658 | 73% | 0.725 | S | S | * | * | cis | -168.7 | 162.4 | -30.4 | -127.1 | 5.6 | 0 | 0 | 0 | 112 | ||||
| 1623 | I | 24.4 | Very low | 23.7 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | trans | 74.4 | 152.4 | 148.9 | -67.1 | 161.6 | 0 | 0 | 0 | 119 | ||||
| 1624 | W | 23.4 | Very low | 23.7 | Very low | 231 Ų | 231 | 131.2 Ų | 131.2 | 88% | 0.875 | 73% | 0.727 | S | S | * | * | trans | -88.8 | 176.1 | -177.8 | -101.1 | 40.7 | 0 | 0 | 0 | 111.8 | ||||
| 1625 | P | 26.7 | Very low | 23.8 | Very low | 110 Ų | 110 | 136 Ų | 136 | 71% | 0.714 | 74% | 0.737 | S | S | * | * | cis | -153.9 | -173.6 | 38.9 | 45.4 | -23.7 | 0 | 0 | 0 | 119 | ||||
| 1626 | A | 22.5 | Very low | 23.8 | Very low | 91 Ų | 91 | 136.8 Ų | 136.8 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | trans | 63 | 134.8 | 144.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1627 | A | 23.4 | Very low | 23.8 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -67.1 | 142.6 | -175 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1628 | Q | 25 | Very low | 23.9 | Very low | 194 Ų | 194 | 134.8 Ų | 134.8 | 91% | 0.907 | 74% | 0.742 | S | S | * | * | trans | -151.7 | 163.4 | 131.9 | -104.4 | 176.1 | 23.5 | 0 | 0 | 109.3 | ||||
| 1629 | P | 24.7 | Very low | 23.9 | Very low | 80 Ų | 80 | 132.5 Ų | 132.5 | 52% | 0.519 | 74% | 0.743 | S | S | . | * | trans | -110 | 164.4 | -149.8 | 41.2 | -36.5 | 0 | 0 | 0 | 117.1 | Q1157 | Q1157-P1629 PolarHBondContact NE2-O 3.38Å; Q1157-P1629 VanDerWaalsContact NE2-O 3.12Å; Q1157-P1629 PolarHBondContact OE1-O 3.26Å | ||
| 1630 | L | 22.3 | Very low | 23.9 | Very low | 85 Ų | 85 | 134 Ų | 134 | 45% | 0.445 | 74% | 0.743 | S | S | . | * | trans | 55.5 | 126.5 | 161.5 | -58.8 | 126.1 | 0 | 0 | 0 | 119.7 | I1156 Q1157 | I1156-L1630 HydrophobicContact CG2-CD1 4.3Å; I1156-L1630 HydrophobicContact CG2-CD2 3.78Å; Q1157-L1630 HydrophobicContact CB-CB 3.71Å; Q1157-L1630 HydrophobicContact CB-CD1 3.95Å; Q1157-L1630 HydrophobicContact CB-CD2 4.42Å; Q1157-L1630 HydrophobicContact CB-CG 4.24Å; Q1157-L1630 HydrophobicContact CG-CB 4.35Å; Q1157-L1630 HydrophobicContact CG-CD1 4.32Å; Q1157-L1630 PolarHBondContact NE2-O 3.05Å | ||
| 1631 | S | 24.6 | Very low | 24 | Very low | 93 Ų | 93 | 133 Ų | 133 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | trans | 179.4 | 126.2 | 132.4 | 55.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1632 | N | 23.2 | Very low | 24.1 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | trans | -96 | 108.7 | 178.5 | -77.1 | -38 | 0 | 0 | 0 | 112.5 | H1159 | H1159-N1632 PolarHBondContact CD2-N 3.17Å; H1159-N1632 VanDerWaalsContact CD2-N 3.28Å | ||
| 1633 | T | 24.1 | Very low | 24.1 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | trans | -155.8 | 111 | 144.9 | 40.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1634 | V | 24 | Very low | 24.2 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 88% | 0.879 | 74% | 0.737 | S | S | * | * | trans | -134.5 | 105.7 | 155.2 | 178 | 0 | 0 | 0 | 0 | 107.7 | S1636 | V1634-S1636 PolarHBondContact O-N 3.34Š| ||
| 1635 | K | 24.6 | Very low | 24.1 | Very low | 202 Ų | 202 | 125.3 Ų | 125.3 | 88% | 0.878 | 73% | 0.727 | S | S | * | * | trans | -65.5 | 119 | 168.5 | -75.2 | -177.2 | 175 | -178.4 | 0 | 108.4 | G1637 | K1635-G1637 PolarHBondContact O-N 2.92Š| ||
| 1636 | S | 23.9 | Very low | 23.8 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | trans | -74.9 | 73.2 | 164 | 53.8 | 0 | 0 | 0 | 0 | 109.6 | V1634 I1638 | V1634-S1636 PolarHBondContact O-N 3.34Å; S1636-I1638 PolarHBondContact O-N 3.32Å; S1636-I1638 VanDerWaalsContact O-N 3.12Å | ||
| 1637 | G | 25.3 | Very low | 23.8 | Very low | 64 Ų | 64 | 124.7 Ų | 124.7 | 66% | 0.66 | 72% | 0.715 | S | S | * | * | trans | -69.4 | 100.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K1635 | K1635-G1637 PolarHBondContact O-N 2.92Š| ||
| 1638 | I | 25.8 | Very low | 23.8 | Very low | 141 Ų | 141 | 128 Ų | 128 | 72% | 0.723 | 72% | 0.717 | S | S | * | * | trans | -7.2 | 118.4 | 156.2 | -66.7 | 159.4 | 0 | 0 | 0 | 115 | S1636 N1640 | S1636-I1638 PolarHBondContact O-N 3.32Å; S1636-I1638 VanDerWaalsContact O-N 3.12Å; I1638-N1640 VanDerWaalsContact C-N 3.32Å; I1638-N1640 HydrophobicContact CG2-CB 3.58Å; I1638-N1640 PolarHBondContact O-N 2.99Å | ||
| 1639 | I | 22.9 | Very low | 23.6 | Very low | 171 Ų | 171 | 123.4 Ų | 123.4 | 88% | 0.877 | 71% | 0.706 | S | S | * | * | trans | -81.3 | 85.8 | 156.4 | -59.5 | 179.6 | 0 | 0 | 0 | 107.7 | ||||
| 1640 | N | 23.8 | Very low | 23.5 | Very low | 133 Ų | 133 | 124 Ų | 124 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | trans | -135.6 | 87.7 | 157.2 | -86.7 | -20 | 0 | 0 | 0 | 106.8 | I1638 | I1638-N1640 VanDerWaalsContact C-N 3.32Å; I1638-N1640 HydrophobicContact CG2-CB 3.58Å; I1638-N1640 PolarHBondContact O-N 2.99Å | ||
| 1641 | Q | 24.1 | Very low | 23.6 | Very low | 138 Ų | 138 | 126.3 Ų | 126.3 | 65% | 0.645 | 73% | 0.725 | S | S | * | * | trans | -131.7 | 68.5 | 163.7 | -76.1 | -163.3 | -15.9 | 0 | 0 | 109.8 | I1643 | Q1641-I1643 HydrophobicContact CB-CG1 4.47Å; Q1641-I1643 PolarHBondContact O-N 3.21Å | ||
| 1642 | T | 24.3 | Very low | 23.5 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 77% | 0.767 | 73% | 0.733 | S | S | * | * | trans | -62.6 | 88.8 | 147.9 | 44.3 | 0 | 0 | 0 | 0 | 108.1 | V1644 | T1642-V1644 VanDerWaalsContact C-N 3.28Å; T1642-V1644 PolarHBondContact O-N 2.84Å | ||
| 1643 | I | 23.2 | Very low | 23.4 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 58% | 0.579 | 74% | 0.736 | S | S | * | * | trans | -68.9 | 93.7 | 166.8 | -61.5 | 178.4 | 0 | 0 | 0 | 106.6 | Q1641 E1645 | Q1641-I1643 HydrophobicContact CB-CG1 4.47Å; Q1641-I1643 PolarHBondContact O-N 3.21Å; I1643-E1645 VanDerWaalsContact C-N 3.35Å; I1643-E1645 HydrophobicContact CG2-CG 4.23Å; I1643-E1645 PolarHBondContact O-N 3.07Å; I1643-E1645 VanDerWaalsContact O-N 3.16Å | ||
| 1644 | V | 25.3 | Very low | 23.3 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 79% | 0.788 | 74% | 0.737 | S | S | * | * | trans | -80.3 | 89.1 | 169.7 | 180 | 0 | 0 | 0 | 0 | 107.5 | T1642 | T1642-V1644 VanDerWaalsContact C-N 3.28Å; T1642-V1644 PolarHBondContact O-N 2.84Å | ||
| 1645 | E | 21.3 | Very low | 23.4 | Very low | 144 Ų | 144 | 128.4 Ų | 128.4 | 67% | 0.673 | 74% | 0.738 | S | S | * | * | trans | -71.5 | 149.5 | 157.7 | -80.3 | -172.7 | 177.6 | 0 | 0 | 110.6 | I1643 | I1643-E1645 VanDerWaalsContact C-N 3.35Å; I1643-E1645 HydrophobicContact CG2-CG 4.23Å; I1643-E1645 PolarHBondContact O-N 3.07Å; I1643-E1645 VanDerWaalsContact O-N 3.16Å | ||
| 1646 | N | 22.5 | Very low | 23.3 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 64% | 0.642 | 73% | 0.73 | S | S | * | * | trans | 71.1 | 83.7 | 155.7 | -59.6 | -37.3 | 0 | 0 | 0 | 118.9 | ||||
| 1647 | A | 22.2 | Very low | 23.3 | Very low | 68 Ų | 68 | 124.6 Ų | 124.6 | 56% | 0.562 | 73% | 0.726 | S | S | * | * | 88.1 | 120.4 | 109.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1648 | I | 21.7 | Very low | 23.3 | Very low | 167 Ų | 167 | 128.4 Ų | 128.4 | 86% | 0.856 | 73% | 0.731 | S | S | * | * | 45.6 | 99.1 | 123.2 | -49.6 | 164.2 | 0 | 0 | 0 | 115.6 | |||||
| 1649 | S | 22 | Very low | 23.3 | Very low | 98 Ų | 98 | 127.8 Ų | 127.8 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | -150.3 | 122.5 | 123.2 | 57.9 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1650 | S | 23.3 | Very low | 23.5 | Very low | 93 Ų | 93 | 127 Ų | 127 | 65% | 0.65 | 72% | 0.722 | S | S | * | * | trans | -59.1 | 164.3 | 171.6 | 51.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1651 | N | 23.9 | Very low | 23.6 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | -179.1 | 85.6 | 111.5 | -86 | -7.5 | 0 | 0 | 0 | 112.1 | |||||
| 1652 | S | 21.7 | Very low | 23.7 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | -75.9 | 135.2 | 140.2 | 51 | 0 | 0 | 0 | 0 | 108 | ||||
| 1653 | F | 22 | Very low | 23.7 | Very low | 187 Ų | 187 | 125.4 Ų | 125.4 | 82% | 0.82 | 73% | 0.725 | S | S | * | * | trans | -72.8 | 140 | -176.7 | -99.5 | -104.8 | 0 | 0 | 0 | 112.8 | ||||
| 1654 | S | 22 | Very low | 23.8 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | trans | 44.7 | 112.5 | 150.1 | 61.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1655 | S | 25.3 | Very low | 23.8 | Very low | 130 Ų | 130 | 128 Ų | 128 | 91% | 0.909 | 74% | 0.737 | S | S | * | * | -169.6 | 168 | 105.2 | 35.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1656 | S | 23.2 | Very low | 23.8 | Very low | 100 Ų | 100 | 127.9 Ų | 127.9 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | -113.8 | 138.6 | -161.8 | 55 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1657 | N | 22.7 | Very low | 23.8 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | 41.3 | 126.8 | 143.8 | -53.4 | 6.9 | 0 | 0 | 0 | 119.7 | ||||
| 1658 | N | 26.1 | Very low | 23.7 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | -168 | 120.8 | 102 | -89.9 | -7.7 | 0 | 0 | 0 | 112.3 | |||||
| 1659 | D | 25.3 | Very low | 23.7 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | 54.1 | 125.5 | 128.4 | -59.7 | -2.4 | 0 | 0 | 0 | 123.8 | |||||
| 1660 | H | 27.6 | Very low | 23.6 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | trans | 82.9 | 109.3 | 136.9 | -78.5 | -53.7 | 0 | 0 | 0 | 122.5 | ||||
| 1661 | N | 26.1 | Very low | 23.6 | Very low | 129 Ų | 129 | 133 Ų | 133 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | trans | 77.8 | 140.6 | 137 | -52.9 | -7 | 0 | 0 | 0 | 117.1 | ||||
| 1662 | D | 25.9 | Very low | 23.6 | Very low | 150 Ų | 150 | 131.8 Ų | 131.8 | 80% | 0.802 | 75% | 0.745 | S | S | * | * | cis | -134 | 157.4 | 16.7 | -105.9 | -50.6 | 0 | 0 | 0 | 115.9 | ||||
| 1663 | A | 24.7 | Very low | 23.8 | Very low | 84 Ų | 84 | 130.2 Ų | 130.2 | 69% | 0.694 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 54.5 | 97.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||
| 1664 | Q | 25.3 | Very low | 24.1 | Very low | 198 Ų | 198 | 128 Ų | 128 | 93% | 0.925 | 73% | 0.73 | S | S | * | * | trans | 68.7 | 54.8 | 137.6 | -60.7 | -173.4 | -8.2 | 0 | 0 | 119.1 | ||||
| 1665 | S | 25.5 | Very low | 24.2 | Very low | 101 Ų | 101 | 130.7 Ų | 130.7 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | -81.8 | 175 | 133.2 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1666 | L | 19.8 | Very low | 24.5 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | trans | 89 | 145.1 | 165.1 | -60.5 | 151 | 0 | 0 | 0 | 119.4 | ||||
| 1667 | H | 23.2 | Very low | 24.6 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | trans | 77.8 | 127.7 | 169.8 | -54.4 | -60 | 0 | 0 | 0 | 118.6 | ||||
| 1668 | N | 21.2 | Very low | 24.7 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 67% | 0.674 | 72% | 0.724 | S | S | * | * | cis | -167.4 | 158.3 | -16.3 | -124.8 | 7.3 | 0 | 0 | 0 | 112.5 | ||||
| 1669 | L | 21.1 | Very low | 24.6 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 67% | 0.665 | 71% | 0.706 | S | S | * | * | trans | 70.1 | 106.1 | 151.1 | -62.5 | 161.8 | 0 | 0 | 0 | 120.5 | ||||
| 1670 | D | 20 | Very low | 24.8 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | 89 | 143.4 | 127.4 | -55.2 | -17.2 | 0 | 0 | 0 | 123.5 | |||||
| 1671 | S | 22.2 | Very low | 24.7 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | trans | 81.7 | 103.6 | 163.4 | 66.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1672 | T | 24.2 | Very low | 24.8 | Very low | 106 Ų | 106 | 125.1 Ų | 125.1 | 65% | 0.65 | 70% | 0.702 | S | S | * | * | trans | 62.9 | 111.4 | 139.4 | 55.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1673 | S | 25.5 | Very low | 24.8 | Very low | 86 Ų | 86 | 124.4 Ų | 124.4 | 60% | 0.601 | 70% | 0.699 | S | S | * | * | trans | 76.9 | 138.3 | 132.1 | 71.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 1674 | L | 28.5 | Very low | 25.3 | Very low | 141 Ų | 141 | 127.4 Ų | 127.4 | 74% | 0.738 | 69% | 0.693 | S | S | * | * | trans | 52.5 | 93.9 | 148.3 | -64.6 | 165.8 | 0 | 0 | 0 | 118.1 | ||||
| 1675 | N | 24.6 | Very low | 26 | Very low | 158 Ų | 158 | 122.5 Ų | 122.5 | 85% | 0.845 | 68% | 0.681 | S | S | * | * | trans | -143.6 | 155.7 | 154.8 | -79.1 | -56.6 | 0 | 0 | 0 | 109.5 | ||||
| 1676 | T | 32.6 | Very low | 27 | Very low | 100 Ų | 100 | 118.9 Ų | 118.9 | 61% | 0.613 | 65% | 0.653 | S | S | * | * | 179.2 | 115.1 | -68.8 | 36.7 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 1677 | D | 24.6 | Very low | 28.7 | Very low | 145 Ų | 145 | 114.5 Ų | 114.5 | 78% | 0.775 | 63% | 0.633 | S | S | * | * | trans | -70.2 | 141 | 175.8 | -69.8 | -72.4 | 0 | 0 | 0 | 112.3 | N1679 | D1677-N1679 PolarHBondContact O-N 2.72Š| ||
| 1678 | P | 24.3 | Very low | 30.3 | Very low | 109 Ų | 109 | 112.3 Ų | 112.3 | 71% | 0.708 | 63% | 0.631 | S | S | * | * | -119.8 | 59.7 | -125.2 | 37.1 | -25.6 | 0 | 0 | 0 | 111.9 | |||||
| 1679 | N | 25.3 | Very low | 32.5 | Very low | 75 Ų | 75 | 111.8 Ų | 111.8 | 40% | 0.401 | 62% | 0.624 | S | S | . | * | trans | -148.4 | 27.9 | -155.7 | -137.9 | -1.1 | 0 | 0 | 0 | 116.8 | Q1137 D1677 | Q1137-N1679 VanDerWaalsContact CD-CG 3.47Å; Q1137-N1679 PolarHBondContact NE2-O 2.69Å; Q1137-N1679 VanDerWaalsContact OE1-CG 3.26Å; Q1137-N1679 PolarHBondContact OE1-ND2 3.13Å; D1677-N1679 PolarHBondContact O-N 2.72Å | ||
| 1680 | N | 28 | Very low | 34.7 | Very low | 147 Ų | 147 | 106.6 Ų | 106.6 | 79% | 0.786 | 60% | 0.596 | S | S | * | * | trans | -109.3 | 64.5 | 172.4 | -168.5 | 19.7 | 0 | 0 | 0 | 111.7 | N1682 | N1680-N1682 PolarHBondContact O-N 3.26Š| ||
| 1681 | I | 25.5 | Very low | 37.1 | Very low | 130 Ų | 130 | 105 Ų | 105 | 67% | 0.667 | 58% | 0.584 | S | S | * | * | trans | -77.5 | 100.2 | 177.5 | -56.9 | 176.3 | 0 | 0 | 0 | 109.3 | ||||
| 1682 | N | 28.5 | Very low | 39.6 | Very low | 102 Ų | 102 | 103.2 Ų | 103.2 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | trans | -143.3 | 73.8 | 158.7 | -97.3 | -85.3 | 0 | 0 | 0 | 107.6 | N1680 Y1684 | N1680-N1682 PolarHBondContact O-N 3.26Å; N1682-Y1684 PolarHBondContact O-N 2.9Å | ||
| 1683 | N | 26.6 | Very low | 42.2 | Very low | 136 Ų | 136 | 98.2 Ų | 98.2 | 73% | 0.727 | 54% | 0.54 | S | S | * | . | trans | -71.9 | 94.1 | -176.1 | -70.8 | -23 | 0 | 0 | 0 | 111 | S1685 | N1683-S1685 PolarHBondContact O-N 2.83Š| ||
| 1684 | Y | 34.3 | Very low | 44.9 | Very low | 147 Ų | 147 | 97.3 Ų | 97.3 | 58% | 0.576 | 53% | 0.526 | S | S | * | . | trans | -72.7 | 79.2 | 155.3 | -71.3 | -75.5 | 0 | 0 | 0 | 108.5 | K1164 N1682 L1686 | K1164-Y1684 PolarHBondContact NZ-OH 2.86Å; N1682-Y1684 PolarHBondContact O-N 2.9Å; Y1684-L1686 PolarHBondContact O-N 2.97Å | ||
| 1685 | S | 39.6 | Very low | 47.4 | Very low | 95 Ų | 95 | 97.3 Ų | 97.3 | 66% | 0.664 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 127.8 | 173.9 | 51.5 | 0 | 0 | 0 | 0 | 109.8 | N1683 | N1683-S1685 PolarHBondContact O-N 2.83Š|
| 1686 | L | 47.7 | Very low | 50.3 | Low | 24 Ų | 24 | 90.5 Ų | 90.5 | 13% | 0.126 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -50.9 | 131.5 | 172 | -156.6 | 79.8 | 0 | 0 | 0 | 109.3 | Y1684 T1688 F1690 Q1694 F1727 | Y1684-L1686 PolarHBondContact O-N 2.97Å; L1686-T1688 PolarHBondContact O-N 2.89Å; L1686-F1690 HydrophobicContact CD2-CB 3.63Å; L1686-F1690 HydrophobicContact CG-CB 3.92Å; L1686-Q1694 HydrophobicContact CD2-CB 4.45Å; L1686-F1727 HydrophobicContact CD1-CB 4.16Å; L1686-F1727 HydrophobicContact CD1-CD1 4.27Å; L1686-F1727 WeakPolarHBondContact CD1-O 3.41Å; L1686-F1727 HydrophobicContact CD2-CD1 4.01Å |
| 1687 | P | 54.3 | Low | 52.7 | Low | 49 Ų | 49 | 85.8 Ų | 85.8 | 32% | 0.318 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 143.4 | 179.6 | -22.3 | 30.7 | 0 | 0 | 0 | 110.7 | E1689 F1690 | P1687-E1689 PolarHBondContact O-N 2.9Å; P1687-F1690 HydrophobicContact CB-CD2 4Å; P1687-F1690 HydrophobicContact CB-CE2 4.46Å; P1687-F1690 HydrophobicContact CG-CD2 4.09Å; P1687-F1690 HydrophobicContact CG-CE2 4.4Å; P1687-F1690 PolarHBondContact O-N 3.24Å |
| 1688 | T | 58 | Low | 55.6 | Low | 109 Ų | 109 | 80.9 Ų | 80.9 | 67% | 0.669 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26.4 | -172.6 | 43.9 | 0 | 0 | 0 | 0 | 113.2 | L1686 F1690 P1692 | L1686-T1688 PolarHBondContact O-N 2.89Å; T1688-F1690 VanDerWaalsContact C-N 3.31Å; T1688-F1690 PolarHBondContact O-N 3.35Å; T1688-P1692 VanDerWaalsContact O-CD 3.23Å; T1688-P1692 WeakPolarHBondContact O-CD 3.23Å |
| 1689 | E | 66.6 | Low | 58.5 | Low | 114 Ų | 114 | 78.9 Ų | 78.9 | 53% | 0.533 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -38.8 | 171.3 | -59.5 | 166.8 | -98.3 | 0 | 0 | 113.4 | P1687 M1742 | P1687-E1689 PolarHBondContact O-N 2.9Å; E1689-M1742 HydrophobicContact CB-CE 4.09Å |
| 1690 | F | 68.2 | Low | 61.3 | Low | 18 Ų | 18 | 75.3 Ų | 75.3 | 8% | 0.079 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -93.5 | -15.7 | -174 | -64.6 | -79.9 | 0 | 0 | 0 | 113.9 | L1686 P1687 T1688 I1693 Q1694 I1730 L1737 M1742 L1745 | L1686-F1690 HydrophobicContact CD2-CB 3.63Å; L1686-F1690 HydrophobicContact CG-CB 3.92Å; P1687-F1690 HydrophobicContact CB-CD2 4Å; P1687-F1690 HydrophobicContact CB-CE2 4.46Å; P1687-F1690 HydrophobicContact CG-CD2 4.09Å; P1687-F1690 HydrophobicContact CG-CE2 4.4Å; P1687-F1690 PolarHBondContact O-N 3.24Å; T1688-F1690 VanDerWaalsContact C-N 3.31Å; T1688-F1690 PolarHBondContact O-N 3.35Å; F1690-I1693 HydrophobicContact CD1-CD1 4.18Å; F1690-I1693 WeakPolarHBondContact O-CB 3.27Å; F1690-I1693 PolarHBondContact O-N 3.31Å; F1690-Q1694 WeakPolarHBondContact O-CB 3.39Å; F1690-Q1694 PolarHBondContact O-N 2.86Å; F1690-I1730 HydrophobicContact CD1-CD1 4.31Å; F1690-I1730 HydrophobicContact CD2-CG2 4.06Å; F1690-I1730 HydrophobicContact CE1-CD1 4.1Å; F1690-I1730 HydrophobicContact CE2-CG2 3.99Å; F1690-I1730 HydrophobicContact CG-CG2 4.45Å; F1690-I1730 HydrophobicContact CZ-CG2 4.29Å; F1690-L1737 HydrophobicContact CE1-CD1 3.88Å; F1690-L1737 HydrophobicContact CZ-CD1 4.08Å; F1690-M1742 HydrophobicContact CD1-CE 4.24Å; F1690-M1742 HydrophobicContact CE1-CE 3.6Å; F1690-M1742 HydrophobicContact CE1-SD 3.65Å; F1690-M1742 HydrophobicContact CE2-CE 4.1Å; F1690-M1742 HydrophobicContact CZ-CE 3.51Å; F1690-M1742 HydrophobicContact CZ-SD 3.78Å; F1690-L1745 HydrophobicContact CE1-CD2 4.46Å |
| 1691 | Q | 70.7 | Confident | 64 | Low | 105 Ų | 105 | 68.3 Ų | 68.3 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.1 | -48.1 | 175.3 | -70.4 | -173.1 | -18.2 | 0 | 0 | 114.2 | I1693 Q1694 K1695 | Q1691-I1693 VanDerWaalsContact C-N 3.35Å; Q1691-I1693 PolarHBondContact O-N 3.44Å; Q1691-Q1694 PolarHBondContact O-N 3.14Å; Q1691-K1695 PolarHBondContact O-N 3.26Å |
| 1692 | P | 74.4 | Confident | 66.6 | Low | 71 Ų | 71 | 66.2 Ų | 66.2 | 46% | 0.461 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.3 | -37.1 | 176.6 | 25.4 | -33.8 | 0 | 0 | 0 | 112.2 | T1688 K1695 V1696 | T1688-P1692 VanDerWaalsContact O-CD 3.23Å; T1688-P1692 WeakPolarHBondContact O-CD 3.23Å; P1692-K1695 PolarHBondContact O-N 3.07Å; P1692-V1696 WeakPolarHBondContact O-CG2 3.47Å; P1692-V1696 PolarHBondContact O-N 3.13Å |
| 1693 | I | 79.1 | Confident | 69.1 | Low | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 177 | -61.3 | 178.4 | 0 | 0 | 0 | 110.5 | F1690 Q1691 L1697 F1727 M1742 L1745 I1749 | F1690-I1693 HydrophobicContact CD1-CD1 4.18Å; F1690-I1693 WeakPolarHBondContact O-CB 3.27Å; F1690-I1693 PolarHBondContact O-N 3.31Å; Q1691-I1693 VanDerWaalsContact C-N 3.35Å; Q1691-I1693 PolarHBondContact O-N 3.44Å; I1693-L1697 HydrophobicContact CG2-CD1 4.14Å; I1693-L1697 WeakPolarHBondContact O-CG 3.35Å; I1693-L1697 PolarHBondContact O-N 3.49Å; I1693-F1727 HydrophobicContact CG2-CE1 4.44Å; I1693-F1727 HydrophobicContact CG2-CZ 4.33Å; I1693-M1742 HydrophobicContact CD1-CE 4.42Å; I1693-L1745 HydrophobicContact CD1-CD2 4.02Å; I1693-L1745 HydrophobicContact CG2-CD2 4.31Å; I1693-I1749 HydrophobicContact CG1-CG1 4.32Å; I1693-I1749 HydrophobicContact CG2-CD1 3.91Å; I1693-I1749 HydrophobicContact CG2-CG1 4.03Å |
| 1694 | Q | 81.9 | Confident | 71.6 | Confident | 66 Ų | 66 | 56.5 Ų | 56.5 | 31% | 0.308 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60 | -49.6 | 173.5 | -172.3 | -177.7 | 12.1 | 0 | 0 | 110.7 | L1686 F1690 Q1691 V1696 L1697 F1698 F1727 | L1686-Q1694 HydrophobicContact CD2-CB 4.45Å; F1690-Q1694 WeakPolarHBondContact O-CB 3.39Å; F1690-Q1694 PolarHBondContact O-N 2.86Å; Q1691-Q1694 PolarHBondContact O-N 3.14Å; Q1694-V1696 PolarHBondContact O-N 2.94Å; Q1694-L1697 PolarHBondContact O-N 3.32Å; Q1694-F1698 HydrophobicContact CG-CD2 3.75Å; Q1694-F1698 HydrophobicContact CG-CE2 3.87Å; Q1694-F1698 WeakPolarHBondContact O-CD2 3.49Å; Q1694-F1698 PolarHBondContact O-N 2.81Å; Q1694-F1727 HydrophobicContact CB-CD1 4.5Å; Q1694-F1727 HydrophobicContact CB-CE1 3.98Å; Q1694-F1727 HydrophobicContact CB-CE2 4.05Å; Q1694-F1727 HydrophobicContact CB-CZ 3.74Å; Q1694-F1727 HydrophobicContact CG-CD2 4.1Å; Q1694-F1727 HydrophobicContact CG-CE2 3.87Å; Q1694-F1727 HydrophobicContact CG-CZ 4.11Å |
| 1695 | K | 81.4 | Confident | 73.7 | Confident | 141 Ų | 141 | 51.8 Ų | 51.8 | 61% | 0.613 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -56.7 | -51.7 | -179 | -173.4 | -179.6 | 177 | -174.1 | 0 | 112.2 | Q1691 P1692 L1697 F1698 D1699 | Q1691-K1695 PolarHBondContact O-N 3.26Å; P1692-K1695 PolarHBondContact O-N 3.07Å; K1695-L1697 VanDerWaalsContact C-N 3.33Å; K1695-L1697 PolarHBondContact O-N 2.91Å; K1695-F1698 PolarHBondContact O-N 3.22Å; K1695-D1699 WeakPolarHBondContact O-CB 3.4Å; K1695-D1699 PolarHBondContact O-N 2.95Å |
| 1696 | V | 83.8 | Confident | 75.4 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.6 | -42.2 | -179.3 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | P1692 Q1694 L1700 I1749 I1752 E1753 M1798 | P1692-V1696 WeakPolarHBondContact O-CG2 3.47Å; P1692-V1696 PolarHBondContact O-N 3.13Å; Q1694-V1696 PolarHBondContact O-N 2.94Å; V1696-L1700 WeakPolarHBondContact O-CB 3.29Å; V1696-L1700 PolarHBondContact O-N 2.97Å; V1696-I1749 HydrophobicContact CB-CD1 4.43Å; V1696-I1749 HydrophobicContact CB-CG2 4.32Å; V1696-I1749 HydrophobicContact CG1-CD1 4.28Å; V1696-I1749 HydrophobicContact CG1-CG2 4.22Å; V1696-I1749 HydrophobicContact CG2-CG2 4.32Å; V1696-I1752 HydrophobicContact CG1-CB 4.45Å; V1696-I1752 HydrophobicContact CG1-CG2 3.84Å; V1696-E1753 HydrophobicContact CG1-CG 4.46Å; V1696-E1753 HydrophobicContact CG2-CG 4.32Å; V1696-M1798 HydrophobicContact CG1-CE 4.31Å |
| 1697 | L | 84.9 | Confident | 76.7 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.3 | -38.2 | 179 | -69.9 | 171.3 | 0 | 0 | 0 | 112.8 | I1693 Q1694 K1695 L1700 I1701 L1723 F1727 I1749 I1752 L1784 L1787 | I1693-L1697 HydrophobicContact CG2-CD1 4.14Å; I1693-L1697 WeakPolarHBondContact O-CG 3.35Å; I1693-L1697 PolarHBondContact O-N 3.49Å; Q1694-L1697 PolarHBondContact O-N 3.32Å; K1695-L1697 VanDerWaalsContact C-N 3.33Å; K1695-L1697 PolarHBondContact O-N 2.91Å; L1697-L1700 PolarHBondContact O-N 3.3Å; L1697-I1701 VanDerWaalsContact O-CG1 3.29Å; L1697-I1701 WeakPolarHBondContact O-CG1 3.47Å; L1697-I1701 PolarHBondContact O-N 2.83Å; L1697-L1723 HydrophobicContact CD1-CD2 4.11Å; L1697-F1727 HydrophobicContact CD1-CZ 4.17Å; L1697-I1749 HydrophobicContact CD1-CD1 4.15Å; L1697-I1749 HydrophobicContact CD2-CD1 4.02Å; L1697-I1749 HydrophobicContact CG-CD1 3.77Å; L1697-I1752 HydrophobicContact CD2-CD1 4.34Å; L1697-L1784 HydrophobicContact CD1-CD2 4.02Å; L1697-L1784 HydrophobicContact CD2-CD2 3.61Å; L1697-L1787 HydrophobicContact CD2-CD2 3.95Å |
| 1698 | F | 85.4 | Confident | 77.4 | Confident | 43 Ų | 43 | 54.9 Ų | 54.9 | 19% | 0.189 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73.7 | -37.4 | 177 | -85.7 | -97.9 | 0 | 0 | 0 | 112.5 | Q1694 K1695 L1700 I1701 Q1702 E1720 F1727 | Q1694-F1698 HydrophobicContact CG-CD2 3.75Å; Q1694-F1698 HydrophobicContact CG-CE2 3.87Å; Q1694-F1698 WeakPolarHBondContact O-CD2 3.49Å; Q1694-F1698 PolarHBondContact O-N 2.81Å; K1695-F1698 PolarHBondContact O-N 3.22Å; F1698-L1700 VanDerWaalsContact C-N 3.32Å; F1698-L1700 PolarHBondContact O-N 3.24Å; F1698-I1701 PolarHBondContact O-N 3.11Å; F1698-Q1702 WeakPolarHBondContact O-CG 3.47Å; F1698-Q1702 PolarHBondContact O-N 3.14Å; F1698-E1720 HydrophobicContact CE1-CG 4.04Å; F1698-E1720 HydrophobicContact CZ-CG 4.49Å; F1698-F1727 HydrophobicContact CE2-CD2 4.31Å; F1698-F1727 HydrophobicContact CE2-CE2 4.16Å |
| 1699 | D | 83.4 | Confident | 77.9 | Confident | 66 Ų | 66 | 55.3 Ų | 55.3 | 35% | 0.353 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 171 | -79.1 | -29.3 | 0 | 0 | 0 | 110.9 | K1695 Q1702 N1703 M1798 | K1695-D1699 WeakPolarHBondContact O-CB 3.4Å; K1695-D1699 PolarHBondContact O-N 2.95Å; D1699-Q1702 PolarHBondContact O-N 2.76Å; D1699-N1703 WeakPolarHBondContact O-CB 3.29Å; D1699-N1703 VanDerWaalsContact O-CG 3.29Å; D1699-N1703 PolarHBondContact O-N 2.7Å; D1699-N1703 PolarHBondContact O-ND2 2.82Å; D1699-M1798 HydrophobicContact CB-CE 4.15Å |
| 1700 | L | 84.6 | Confident | 78 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.5 | -42 | 173.6 | -170 | 68.3 | 0 | 0 | 0 | 112.2 | V1696 L1697 F1698 N1703 C1704 I1752 Y1757 L1787 A1791 M1798 | V1696-L1700 WeakPolarHBondContact O-CB 3.29Å; V1696-L1700 PolarHBondContact O-N 2.97Å; L1697-L1700 PolarHBondContact O-N 3.3Å; F1698-L1700 VanDerWaalsContact C-N 3.32Å; F1698-L1700 PolarHBondContact O-N 3.24Å; L1700-N1703 PolarHBondContact O-N 2.84Å; L1700-C1704 WeakPolarHBondContact O-CB 3.42Å; L1700-C1704 PolarHBondContact O-N 2.91Å; L1700-C1704 PolarHBondContact O-SG 3.43Å; L1700-I1752 HydrophobicContact CD1-CG2 4.34Å; L1700-I1752 HydrophobicContact CD2-CD1 4.3Å; L1700-I1752 HydrophobicContact CD2-CG2 3.93Å; L1700-Y1757 HydrophobicContact CD1-CE1 4.26Å; L1700-L1787 HydrophobicContact CD2-CD1 4.48Å; L1700-L1787 HydrophobicContact CD2-CD2 4.03Å; L1700-L1787 HydrophobicContact CD2-CG 3.92Å; L1700-L1787 HydrophobicContact CG-CG 4.49Å; L1700-A1791 HydrophobicContact CD1-CB 3.93Å; L1700-A1791 HydrophobicContact CD2-CB 4.27Å; L1700-A1791 HydrophobicContact CG-CB 4.35Å; L1700-M1798 HydrophobicContact CD1-SD 4.41Å |
| 1701 | I | 84.7 | Confident | 78.2 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61 | -44.4 | 173.7 | -71.9 | 163.7 | 0 | 0 | 0 | 111 | L1697 F1698 C1704 R1705 V1719 E1720 L1723 L1787 | L1697-I1701 VanDerWaalsContact O-CG1 3.29Å; L1697-I1701 WeakPolarHBondContact O-CG1 3.47Å; L1697-I1701 PolarHBondContact O-N 2.83Å; F1698-I1701 PolarHBondContact O-N 3.11Å; I1701-C1704 PolarHBondContact O-N 3.36Å; I1701-R1705 WeakPolarHBondContact O-CB 3.34Å; I1701-R1705 WeakPolarHBondContact O-CG 3.44Å; I1701-R1705 PolarHBondContact O-N 2.79Å; I1701-V1719 HydrophobicContact CD1-CG1 4.46Å; I1701-E1720 HydrophobicContact CD1-CB 4.4Å; I1701-L1723 HydrophobicContact CD1-CD1 3.88Å; I1701-L1787 HydrophobicContact CD1-CD2 4.48Å; I1701-L1787 HydrophobicContact CG1-CD1 3.69Å; I1701-L1787 HydrophobicContact CG1-CD2 4.04Å |
| 1702 | Q | 81 | Confident | 78.2 | Confident | 87 Ų | 87 | 59 Ų | 59 | 41% | 0.407 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 178.8 | -71.2 | -66.2 | -1.3 | 0 | 0 | 112 | F1698 D1699 R1705 K1706 | F1698-Q1702 WeakPolarHBondContact O-CG 3.47Å; F1698-Q1702 PolarHBondContact O-N 3.14Å; D1699-Q1702 PolarHBondContact O-N 2.76Å; Q1702-R1705 WeakPolarHBondContact O-CB 3.4Å; Q1702-R1705 PolarHBondContact O-N 3.33Å; Q1702-K1706 WeakPolarHBondContact O-CG 3.5Å; Q1702-K1706 PolarHBondContact O-N 3.25Å; Q1702-K1706 VanDerWaalsContact O-N 3.08Å |
| 1703 | N | 80.7 | Confident | 78.2 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.7 | -40.1 | 175.5 | -66.6 | -24.3 | 0 | 0 | 0 | 111.7 | D1699 L1700 R1705 K1706 V1707 I1796 | D1699-N1703 WeakPolarHBondContact O-CB 3.29Å; D1699-N1703 VanDerWaalsContact O-CG 3.29Å; D1699-N1703 PolarHBondContact O-N 2.7Å; D1699-N1703 PolarHBondContact O-ND2 2.82Å; L1700-N1703 PolarHBondContact O-N 2.84Å; N1703-R1705 VanDerWaalsContact C-N 3.27Å; N1703-R1705 PolarHBondContact O-N 2.78Å; N1703-K1706 PolarHBondContact O-N 3.07Å; N1703-K1706 PolarHBondContact OD1-NZ 3.39Å; N1703-V1707 PolarHBondContact O-N 3.31Å; N1703-I1796 HydrophobicContact CB-CG2 3.75Å |
| 1704 | C | 78.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.6 | -33.9 | 169.9 | -75.1 | 0 | 0 | 0 | 0 | 112.9 | L1700 I1701 G1708 L1716 L1794 I1796 | L1700-C1704 WeakPolarHBondContact O-CB 3.42Å; L1700-C1704 PolarHBondContact O-N 2.91Å; L1700-C1704 PolarHBondContact O-SG 3.43Å; I1701-C1704 PolarHBondContact O-N 3.36Å; C1704-G1708 WeakPolarHBondContact O-CA 2.98Å; C1704-G1708 PolarHBondContact O-N 2.87Å; C1704-L1716 HydrophobicContact CB-CD1 3.64Å; C1704-L1716 HydrophobicContact CB-CD2 3.73Å; C1704-L1716 HydrophobicContact CB-CG 4.36Å; C1704-L1794 HydrophobicContact CB-CD1 4.42Å; C1704-I1796 HydrophobicContact CB-CD1 4.18Å; C1704-I1796 WeakPolarHBondContact SG-CD1 3.31Å |
| 1705 | R | 78.3 | Confident | 77.5 | Confident | 48 Ų | 48 | 67.7 Ų | 67.7 | 18% | 0.181 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.3 | -36.8 | 175.6 | -79.6 | 174 | 166.5 | 158.5 | -0.2 | 113.4 | I1701 Q1702 N1703 R1713 L1716 E1720 | I1701-R1705 WeakPolarHBondContact O-CB 3.34Å; I1701-R1705 WeakPolarHBondContact O-CG 3.44Å; I1701-R1705 PolarHBondContact O-N 2.79Å; Q1702-R1705 WeakPolarHBondContact O-CB 3.4Å; Q1702-R1705 PolarHBondContact O-N 3.33Å; N1703-R1705 VanDerWaalsContact C-N 3.27Å; N1703-R1705 PolarHBondContact O-N 2.78Å; R1705-R1713 PolarHBondContact O-NE 2.89Å; R1705-R1713 PolarHBondContact O-NH2 3.28Å; R1705-R1713 VanDerWaalsContact O-NH2 3.14Å; R1705-L1716 HydrophobicContact CG-CD1 4.08Å; R1705-E1720 IonicContact CZ-OE1 2.76Å; R1705-E1720 IonicContact CZ-OE2 3.57Å; R1705-E1720 IonicContact NH1-OE1 2.83Å; R1705-E1720 PolarHBondContact NH1-OE1 3.13Å; R1705-E1720 IonicContact NH1-OE2 2.81Å; R1705-E1720 IonicContact NH2-OE1 2.78Å; R1705-E1720 PolarHBondContact NH2-OE1 3.05Å; R1705-E1720 IonicContact NH2-OE2 3.95Å; R1705-E1720 PolarHBondContact NH2-OE2 2.9Å |
| 1706 | K | 76 | Confident | 77.5 | Confident | 144 Ų | 144 | 61 Ų | 61 | 63% | 0.626 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.8 | -47.2 | 176.5 | -68.8 | 164.9 | -162.8 | 165.2 | 0 | 111.1 | Q1702 N1703 | Q1702-K1706 WeakPolarHBondContact O-CG 3.5Å; Q1702-K1706 PolarHBondContact O-N 3.25Å; Q1702-K1706 VanDerWaalsContact O-N 3.08Å; N1703-K1706 PolarHBondContact O-N 3.07Å; N1703-K1706 PolarHBondContact OD1-NZ 3.39Å |
| 1707 | V | 75.3 | Confident | 77.3 | Confident | 87 Ų | 87 | 63.6 Ų | 63.6 | 53% | 0.527 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -87.5 | -30.3 | -174.9 | -169.8 | 0 | 0 | 0 | 0 | 113.1 | N1703 L1794 I1796 | N1703-V1707 PolarHBondContact O-N 3.31Å; V1707-L1794 HydrophobicContact CG1-CB 4.24Å; V1707-L1794 HydrophobicContact CG1-CD2 4.16Å; V1707-I1796 HydrophobicContact CG2-CG1 4.34Å |
| 1708 | G | 67.3 | Low | 77.1 | Confident | 2 Ų | 2 | 66 Ų | 66 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | trans | -80.3 | 140.4 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | C1704 R1713 | C1704-G1708 WeakPolarHBondContact O-CA 2.98Å; C1704-G1708 PolarHBondContact O-N 2.87Å; G1708-R1713 PolarHBondContact O-NE 3.08Å | ||
| 1709 | D | 68.5 | Low | 77.1 | Confident | 118 Ų | 118 | 64 Ų | 64 | 63% | 0.631 | 31% | 0.306 | S | S | * | . | trans | -52.5 | 160.6 | 171 | -71.4 | -55.1 | 0 | 0 | 0 | 114.6 | H1711 N1712 R1713 | D1709-H1711 PolarHBondContact O-N 3.24Å; D1709-H1711 VanDerWaalsContact O-N 3.08Å; D1709-N1712 WeakPolarHBondContact O-CA 3.33Å; D1709-N1712 PolarHBondContact O-N 3.23Å; D1709-R1713 WeakPolarHBondContact O-CG 3.34Å; D1709-R1713 PolarHBondContact O-N 3.33Å | ||
| 1710 | K | 70.7 | Confident | 77.1 | Confident | 178 Ų | 178 | 63 Ų | 63 | 77% | 0.774 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -49.6 | -37.3 | 175.5 | -168.2 | 173.7 | -176.8 | 176.4 | 0 | 113.5 | Q1714 | K1710-Q1714 PolarHBondContact O-N 3.28Å |
| 1711 | H | 70.7 | Confident | 77 | Confident | 120 Ų | 120 | 68.6 Ų | 68.6 | 56% | 0.556 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -72.9 | -30.3 | 177 | -177.7 | 56.7 | 0 | 0 | 0 | 113.4 | D1709 K1715 | D1709-H1711 PolarHBondContact O-N 3.24Å; D1709-H1711 VanDerWaalsContact O-N 3.08Å; H1711-K1715 PolarHBondContact CD2-NZ 2.83Å; H1711-K1715 WeakPolarHBondContact NE2-CE 3.49Å; H1711-K1715 PolarHBondContact NE2-NZ 2.85Å; H1711-K1715 WeakPolarHBondContact O-CG 3.35Å |
| 1712 | N | 70.8 | Confident | 76.9 | Confident | 16 Ų | 16 | 73 Ų | 73 | 9% | 0.086 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -79.3 | -35 | 174.1 | -70.9 | -18.5 | 0 | 0 | 0 | 111.3 | D1709 Q1714 K1715 L1716 | D1709-N1712 WeakPolarHBondContact O-CA 3.33Å; D1709-N1712 PolarHBondContact O-N 3.23Å; N1712-Q1714 VanDerWaalsContact C-N 3.32Å; N1712-Q1714 PolarHBondContact O-N 2.83Å; N1712-K1715 WeakPolarHBondContact O-CB 3.49Å; N1712-K1715 PolarHBondContact O-N 2.89Å; N1712-K1715 PolarHBondContact OD1-NZ 3.03Å; N1712-L1716 VanDerWaalsContact O-CG 3.31Å; N1712-L1716 WeakPolarHBondContact O-CG 2.93Å; N1712-L1716 PolarHBondContact O-N 3.06Å |
| 1713 | R | 74.1 | Confident | 76.9 | Confident | 130 Ų | 130 | 69 Ų | 69 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.3 | -42 | 174 | -67.2 | 177.7 | -173.2 | -154.5 | -5 | 112.7 | R1705 G1708 D1709 L1716 T1717 | R1705-R1713 PolarHBondContact O-NE 2.89Å; R1705-R1713 PolarHBondContact O-NH2 3.28Å; R1705-R1713 VanDerWaalsContact O-NH2 3.14Å; G1708-R1713 PolarHBondContact O-NE 3.08Å; D1709-R1713 WeakPolarHBondContact O-CG 3.34Å; D1709-R1713 PolarHBondContact O-N 3.33Å; R1713-L1716 PolarHBondContact O-N 3.42Å; R1713-T1717 PolarHBondContact O-N 3.34Å; R1713-T1717 PolarHBondContact O-OG1 3.14Å |
| 1714 | Q | 73.7 | Confident | 76.9 | Confident | 135 Ų | 135 | 70.4 Ų | 70.4 | 63% | 0.631 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.1 | -32.7 | 174.8 | -73.5 | -177.4 | -42 | 0 | 0 | 113.9 | K1710 N1712 T1717 | K1710-Q1714 PolarHBondContact O-N 3.28Å; N1712-Q1714 VanDerWaalsContact C-N 3.32Å; N1712-Q1714 PolarHBondContact O-N 2.83Å; Q1714-T1717 WeakPolarHBondContact CA-OG1 3.49Å; Q1714-T1717 PolarHBondContact O-OG1 3.36Å |
| 1715 | K | 73.8 | Confident | 76.8 | Confident | 57 Ų | 57 | 74.6 Ų | 74.6 | 25% | 0.248 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71.2 | -36.6 | 173.3 | -65.5 | 170.4 | -167.7 | 165.6 | 0 | 111.5 | H1711 N1712 T1717 D1718 V1719 | H1711-K1715 PolarHBondContact CD2-NZ 2.83Å; H1711-K1715 WeakPolarHBondContact NE2-CE 3.49Å; H1711-K1715 PolarHBondContact NE2-NZ 2.85Å; H1711-K1715 WeakPolarHBondContact O-CG 3.35Å; N1712-K1715 WeakPolarHBondContact O-CB 3.49Å; N1712-K1715 PolarHBondContact O-N 2.89Å; N1712-K1715 PolarHBondContact OD1-NZ 3.03Å; K1715-T1717 VanDerWaalsContact C-N 3.32Å; K1715-T1717 PolarHBondContact O-N 2.91Å; K1715-D1718 PolarHBondContact O-N 2.88Å; K1715-V1719 WeakPolarHBondContact O-CG2 3.34Å; K1715-V1719 PolarHBondContact O-N 3.43Å; K1715-V1719 VanDerWaalsContact O-N 3.07Å |
| 1716 | L | 82 | Confident | 76.9 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.2 | -29.1 | 178.9 | -69.6 | 161.9 | 0 | 0 | 0 | 112.4 | C1704 R1705 N1712 R1713 E1720 L1787 | C1704-L1716 HydrophobicContact CB-CD1 3.64Å; C1704-L1716 HydrophobicContact CB-CD2 3.73Å; C1704-L1716 HydrophobicContact CB-CG 4.36Å; R1705-L1716 HydrophobicContact CG-CD1 4.08Å; N1712-L1716 VanDerWaalsContact O-CG 3.31Å; N1712-L1716 WeakPolarHBondContact O-CG 2.93Å; N1712-L1716 PolarHBondContact O-N 3.06Å; R1713-L1716 PolarHBondContact O-N 3.42Å; L1716-E1720 VanDerWaalsContact O-CB 3.29Å; L1716-E1720 WeakPolarHBondContact O-CB 3.33Å; L1716-E1720 PolarHBondContact O-N 2.9Å; L1716-L1787 HydrophobicContact CD2-CD1 3.76Å |
| 1717 | T | 78.6 | Confident | 77.2 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 42% | 0.423 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.8 | -35.1 | 171.6 | 39 | 0 | 0 | 0 | 0 | 113.8 | R1713 Q1714 K1715 H1721 | R1713-T1717 PolarHBondContact O-N 3.34Å; R1713-T1717 PolarHBondContact O-OG1 3.14Å; Q1714-T1717 WeakPolarHBondContact CA-OG1 3.49Å; Q1714-T1717 PolarHBondContact O-OG1 3.36Å; K1715-T1717 VanDerWaalsContact C-N 3.32Å; K1715-T1717 PolarHBondContact O-N 2.91Å; T1717-H1721 WeakPolarHBondContact O-CB 3.36Å; T1717-H1721 PolarHBondContact O-N 3.13Å |
| 1718 | D | 81.4 | Confident | 77 | Confident | 53 Ų | 53 | 66.4 Ų | 66.4 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 170.8 | 163.4 | 50.1 | 0 | 0 | 0 | 110.9 | K1715 H1721 R1722 R1786 | K1715-D1718 PolarHBondContact O-N 2.88Å; D1718-H1721 PolarHBondContact O-N 2.8Å; D1718-R1722 WeakPolarHBondContact O-CG 3.38Å; D1718-R1722 PolarHBondContact O-N 3.2Å; D1718-R1722 IonicContact OD1-CZ 2.69Å; D1718-R1722 IonicContact OD1-NE 3.43Å; D1718-R1722 PolarHBondContact OD1-NE 2.95Å; D1718-R1722 IonicContact OD1-NH2 3.1Å; D1718-R1722 IonicContact OD2-NE 2.67Å; D1718-R1786 IonicContact OD2-NH1 3.24Å; D1718-R1786 PolarHBondContact OD2-NH1 2.81Å |
| 1719 | V | 84.4 | Confident | 77.1 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 174.5 | 168.2 | 0 | 0 | 0 | 0 | 112.2 | I1701 K1715 R1722 L1723 A1783 R1786 L1787 | I1701-V1719 HydrophobicContact CD1-CG1 4.46Å; K1715-V1719 WeakPolarHBondContact O-CG2 3.34Å; K1715-V1719 PolarHBondContact O-N 3.43Å; K1715-V1719 VanDerWaalsContact O-N 3.07Å; V1719-R1722 PolarHBondContact O-N 2.63Å; V1719-L1723 HydrophobicContact CG1-CD1 3.9Å; V1719-L1723 WeakPolarHBondContact O-CB 3.36Å; V1719-L1723 PolarHBondContact O-N 3.31Å; V1719-A1783 HydrophobicContact CG2-CB 4.41Å; V1719-R1786 HydrophobicContact CG2-CB 4.28Å; V1719-R1786 HydrophobicContact CG2-CG 4.24Å; V1719-L1787 HydrophobicContact CG1-CB 4.04Å; V1719-L1787 HydrophobicContact CG1-CD1 4.34Å; V1719-L1787 HydrophobicContact CG1-CD2 4.44Å |
| 1720 | E | 83.3 | Confident | 77.3 | Confident | 44 Ų | 44 | 63.1 Ų | 63.1 | 21% | 0.206 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 177.6 | 179.1 | -179.9 | -110.4 | 0 | 0 | 112.1 | F1698 I1701 R1705 L1716 L1723 N1724 | F1698-E1720 HydrophobicContact CE1-CG 4.04Å; F1698-E1720 HydrophobicContact CZ-CG 4.49Å; I1701-E1720 HydrophobicContact CD1-CB 4.4Å; R1705-E1720 IonicContact CZ-OE1 2.76Å; R1705-E1720 IonicContact CZ-OE2 3.57Å; R1705-E1720 IonicContact NH1-OE1 2.83Å; R1705-E1720 PolarHBondContact NH1-OE1 3.13Å; R1705-E1720 IonicContact NH1-OE2 2.81Å; R1705-E1720 IonicContact NH2-OE1 2.78Å; R1705-E1720 PolarHBondContact NH2-OE1 3.05Å; R1705-E1720 IonicContact NH2-OE2 3.95Å; R1705-E1720 PolarHBondContact NH2-OE2 2.9Å; L1716-E1720 VanDerWaalsContact O-CB 3.29Å; L1716-E1720 WeakPolarHBondContact O-CB 3.33Å; L1716-E1720 PolarHBondContact O-N 2.9Å; E1720-L1723 PolarHBondContact O-N 2.97Å; E1720-N1724 WeakPolarHBondContact O-CB 3.38Å; E1720-N1724 PolarHBondContact O-N 3.29Å; E1720-N1724 PolarHBondContact O-ND2 3.01Å |
| 1721 | H | 83 | Confident | 77.1 | Confident | 118 Ų | 118 | 55.6 Ų | 55.6 | 55% | 0.546 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 176.9 | -171.6 | 69 | 0 | 0 | 0 | 111.8 | T1717 D1718 N1724 Q1725 | T1717-H1721 WeakPolarHBondContact O-CB 3.36Å; T1717-H1721 PolarHBondContact O-N 3.13Å; D1718-H1721 PolarHBondContact O-N 2.8Å; H1721-N1724 PolarHBondContact O-N 3.04Å; H1721-Q1725 PolarHBondContact NE2-NE2 2.83Å; H1721-Q1725 PolarHBondContact O-N 3.45Å |
| 1722 | R | 82.5 | Confident | 76.7 | Confident | 93 Ų | 93 | 54.3 Ų | 54.3 | 35% | 0.351 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 176.1 | -70.7 | 174 | -174.8 | -102.8 | -3.1 | 113 | D1718 V1719 Q1725 F1726 C1779 Y1780 A1783 | D1718-R1722 WeakPolarHBondContact O-CG 3.38Å; D1718-R1722 PolarHBondContact O-N 3.2Å; D1718-R1722 IonicContact OD1-CZ 2.69Å; D1718-R1722 IonicContact OD1-NE 3.43Å; D1718-R1722 PolarHBondContact OD1-NE 2.95Å; D1718-R1722 IonicContact OD1-NH2 3.1Å; D1718-R1722 IonicContact OD2-NE 2.67Å; V1719-R1722 PolarHBondContact O-N 2.63Å; R1722-Q1725 PolarHBondContact O-N 2.89Å; R1722-F1726 PolarHBondContact O-N 3Å; R1722-C1779 PolarHBondContact NH1-O 3Å; R1722-Y1780 WeakPolarHBondContact O-CD1 3.34Å; R1722-Y1780 WeakPolarHBondContact O-CE1 3.45Å; R1722-A1783 HydrophobicContact CB-CB 3.9Å; R1722-A1783 HydrophobicContact CG-CB 4.46Å |
| 1723 | L | 81.9 | Confident | 76.4 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.7 | -37.6 | 176 | -82.6 | 167.6 | 0 | 0 | 0 | 112.1 | L1697 I1701 V1719 E1720 F1726 F1727 L1784 L1787 | L1697-L1723 HydrophobicContact CD1-CD2 4.11Å; I1701-L1723 HydrophobicContact CD1-CD1 3.88Å; V1719-L1723 HydrophobicContact CG1-CD1 3.9Å; V1719-L1723 WeakPolarHBondContact O-CB 3.36Å; V1719-L1723 PolarHBondContact O-N 3.31Å; E1720-L1723 PolarHBondContact O-N 2.97Å; L1723-F1726 HydrophobicContact CD2-CD1 4.48Å; L1723-F1726 WeakPolarHBondContact O-CB 3.34Å; L1723-F1726 PolarHBondContact O-N 3.16Å; L1723-F1727 HydrophobicContact CD2-CE2 4.37Å; L1723-F1727 WeakPolarHBondContact O-CD2 3.48Å; L1723-F1727 PolarHBondContact O-N 3.31Å; L1723-L1784 HydrophobicContact CD2-CD1 4.36Å; L1723-L1784 HydrophobicContact CD2-CD2 4.47Å; L1723-L1784 HydrophobicContact CD2-CG 4.15Å; L1723-L1787 HydrophobicContact CD1-CD2 4.27Å |
| 1724 | N | 80.4 | Confident | 75.7 | Confident | 61 Ų | 61 | 56.1 Ų | 56.1 | 33% | 0.326 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 170.2 | -80.6 | -66.7 | 0 | 0 | 0 | 111.5 | E1720 H1721 F1726 F1727 M1728 | E1720-N1724 WeakPolarHBondContact O-CB 3.38Å; E1720-N1724 PolarHBondContact O-N 3.29Å; E1720-N1724 PolarHBondContact O-ND2 3.01Å; H1721-N1724 PolarHBondContact O-N 3.04Å; N1724-F1726 VanDerWaalsContact C-N 3.33Å; N1724-F1726 PolarHBondContact O-N 3.13Å; N1724-F1727 PolarHBondContact O-N 3.3Å; N1724-M1728 WeakPolarHBondContact O-CB 3.43Å; N1724-M1728 WeakPolarHBondContact O-CG 3.42Å; N1724-M1728 PolarHBondContact O-N 3.13Å |
| 1725 | Q | 75.4 | Confident | 75.2 | Confident | 88 Ų | 88 | 50 Ų | 50 | 41% | 0.411 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.7 | -36.3 | 174.2 | -71.2 | -168.3 | 19.4 | 0 | 0 | 113.1 | H1721 R1722 M1728 N1729 Y1780 | H1721-Q1725 PolarHBondContact NE2-NE2 2.83Å; H1721-Q1725 PolarHBondContact O-N 3.45Å; R1722-Q1725 PolarHBondContact O-N 2.89Å; Q1725-M1728 PolarHBondContact O-N 2.86Å; Q1725-N1729 WeakPolarHBondContact O-CB 3.32Å; Q1725-N1729 PolarHBondContact O-N 3.22Å; Q1725-N1729 PolarHBondContact O-OD1 3.17Å; Q1725-Y1780 HydrophobicContact CB-CE1 3.99Å |
| 1726 | F | 82 | Confident | 74.7 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.009 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.3 | -51.1 | 174.3 | 178.1 | -110.3 | 0 | 0 | 0 | 111.8 | R1722 L1723 N1724 M1728 N1729 I1730 L1735 L1737 Y1780 | R1722-F1726 PolarHBondContact O-N 3Å; L1723-F1726 HydrophobicContact CD2-CD1 4.48Å; L1723-F1726 WeakPolarHBondContact O-CB 3.34Å; L1723-F1726 PolarHBondContact O-N 3.16Å; N1724-F1726 VanDerWaalsContact C-N 3.33Å; N1724-F1726 PolarHBondContact O-N 3.13Å; F1726-M1728 VanDerWaalsContact C-N 3.35Å; F1726-M1728 PolarHBondContact O-N 2.71Å; F1726-N1729 PolarHBondContact O-N 2.83Å; F1726-I1730 HydrophobicContact CD1-CD1 4.01Å; F1726-I1730 HydrophobicContact CD2-CD1 4.38Å; F1726-I1730 HydrophobicContact CE1-CD1 3.61Å; F1726-I1730 HydrophobicContact CE2-CD1 4.02Å; F1726-I1730 HydrophobicContact CG-CD1 4.39Å; F1726-I1730 HydrophobicContact CZ-CD1 3.63Å; F1726-I1730 WeakPolarHBondContact O-CG1 3.3Å; F1726-I1730 PolarHBondContact O-N 2.95Å; F1726-I1730 VanDerWaalsContact O-N 3.09Å; F1726-L1735 HydrophobicContact CE2-CD2 4.26Å; F1726-L1737 HydrophobicContact CZ-CD1 4.24Å; F1726-Y1780 HydrophobicContact CB-CD1 3.71Å; F1726-Y1780 HydrophobicContact CB-CE1 4.01Å; F1726-Y1780 HydrophobicContact CB-CG 4.02Å; F1726-Y1780 HydrophobicContact CD2-CD1 4.37Å; F1726-Y1780 AromaticContact CD2-CD2 3.8Å; F1726-Y1780 HydrophobicContact CD2-CD2 3.8Å; F1726-Y1780 HydrophobicContact CD2-CE2 4.39Å; F1726-Y1780 AromaticContact CD2-CG 3.8Å; F1726-Y1780 HydrophobicContact CD2-CG 3.8Å; F1726-Y1780 HydrophobicContact CG-CD1 4.48Å; F1726-Y1780 HydrophobicContact CG-CG 4.31Å |
| 1727 | F | 80.9 | Confident | 74 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 1% | 0.013 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.9 | -35 | 177.8 | -70.3 | -62.4 | 0 | 0 | 0 | 112.8 | L1686 I1693 Q1694 L1697 F1698 L1723 N1724 I1730 S1731 | L1686-F1727 HydrophobicContact CD1-CB 4.16Å; L1686-F1727 HydrophobicContact CD1-CD1 4.27Å; L1686-F1727 WeakPolarHBondContact CD1-O 3.41Å; L1686-F1727 HydrophobicContact CD2-CD1 4.01Å; I1693-F1727 HydrophobicContact CG2-CE1 4.44Å; I1693-F1727 HydrophobicContact CG2-CZ 4.33Å; Q1694-F1727 HydrophobicContact CB-CD1 4.5Å; Q1694-F1727 HydrophobicContact CB-CE1 3.98Å; Q1694-F1727 HydrophobicContact CB-CE2 4.05Å; Q1694-F1727 HydrophobicContact CB-CZ 3.74Å; Q1694-F1727 HydrophobicContact CG-CD2 4.1Å; Q1694-F1727 HydrophobicContact CG-CE2 3.87Å; Q1694-F1727 HydrophobicContact CG-CZ 4.11Å; L1697-F1727 HydrophobicContact CD1-CZ 4.17Å; F1698-F1727 HydrophobicContact CE2-CD2 4.31Å; F1698-F1727 HydrophobicContact CE2-CE2 4.16Å; L1723-F1727 HydrophobicContact CD2-CE2 4.37Å; L1723-F1727 WeakPolarHBondContact O-CD2 3.48Å; L1723-F1727 PolarHBondContact O-N 3.31Å; N1724-F1727 PolarHBondContact O-N 3.3Å; F1727-I1730 PolarHBondContact O-N 3.44Å; F1727-S1731 PolarHBondContact O-N 3.26Å; F1727-S1731 PolarHBondContact O-OG 2.89Å |
| 1728 | M | 72.1 | Confident | 73.7 | Confident | 102 Ų | 102 | 56.2 Ų | 56.2 | 50% | 0.502 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 173.4 | -70.1 | -73.9 | 104.6 | 0 | 0 | 112.4 | N1724 Q1725 F1726 I1730 S1731 N1732 | N1724-M1728 WeakPolarHBondContact O-CB 3.43Å; N1724-M1728 WeakPolarHBondContact O-CG 3.42Å; N1724-M1728 PolarHBondContact O-N 3.13Å; Q1725-M1728 PolarHBondContact O-N 2.86Å; F1726-M1728 VanDerWaalsContact C-N 3.35Å; F1726-M1728 PolarHBondContact O-N 2.71Å; M1728-I1730 VanDerWaalsContact C-N 3.3Å; M1728-I1730 PolarHBondContact O-N 3.19Å; M1728-S1731 WeakPolarHBondContact CA-OG 3.08Å; M1728-S1731 PolarHBondContact O-N 3.39Å; M1728-S1731 PolarHBondContact O-OG 2.71Å; M1728-N1732 VanDerWaalsContact O-CB 3.3Å; M1728-N1732 WeakPolarHBondContact O-CB 3.39Å; M1728-N1732 PolarHBondContact O-N 3.32Å; M1728-N1732 PolarHBondContact O-ND2 3.19Å; M1728-N1732 PolarHBondContact O-OD1 2.96Å |
| 1729 | N | 68.4 | Low | 73.2 | Confident | 34 Ų | 34 | 59 Ų | 59 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72 | -26.4 | 179.4 | -72.8 | 14.1 | 0 | 0 | 0 | 112.4 | Q1725 F1726 Q1734 L1735 Y1780 | Q1725-N1729 WeakPolarHBondContact O-CB 3.32Å; Q1725-N1729 PolarHBondContact O-N 3.22Å; Q1725-N1729 PolarHBondContact O-OD1 3.17Å; F1726-N1729 PolarHBondContact O-N 2.83Å; N1729-Q1734 PolarHBondContact O-N 3.18Å; N1729-L1735 HydrophobicContact CB-CB 4.1Å; N1729-L1735 HydrophobicContact CB-CD1 4.3Å; N1729-L1735 PolarHBondContact O-N 3.19Å; N1729-Y1780 PolarHBondContact ND2-OH 3.39Å |
| 1730 | I | 72.4 | Confident | 72.6 | Confident | 18 Ų | 18 | 62.2 Ų | 62.2 | 9% | 0.092 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.7 | -49.1 | 166.8 | -68.3 | 168.5 | 0 | 0 | 0 | 110.6 | F1690 F1726 F1727 M1728 N1732 G1733 L1737 | F1690-I1730 HydrophobicContact CD1-CD1 4.31Å; F1690-I1730 HydrophobicContact CD2-CG2 4.06Å; F1690-I1730 HydrophobicContact CE1-CD1 4.1Å; F1690-I1730 HydrophobicContact CE2-CG2 3.99Å; F1690-I1730 HydrophobicContact CG-CG2 4.45Å; F1690-I1730 HydrophobicContact CZ-CG2 4.29Å; F1726-I1730 HydrophobicContact CD1-CD1 4.01Å; F1726-I1730 HydrophobicContact CD2-CD1 4.38Å; F1726-I1730 HydrophobicContact CE1-CD1 3.61Å; F1726-I1730 HydrophobicContact CE2-CD1 4.02Å; F1726-I1730 HydrophobicContact CG-CD1 4.39Å; F1726-I1730 HydrophobicContact CZ-CD1 3.63Å; F1726-I1730 WeakPolarHBondContact O-CG1 3.3Å; F1726-I1730 PolarHBondContact O-N 2.95Å; F1726-I1730 VanDerWaalsContact O-N 3.09Å; F1727-I1730 PolarHBondContact O-N 3.44Å; M1728-I1730 VanDerWaalsContact C-N 3.3Å; M1728-I1730 PolarHBondContact O-N 3.19Å; I1730-N1732 PolarHBondContact O-N 3.35Å; I1730-G1733 PolarHBondContact O-N 2.98Å; I1730-L1737 HydrophobicContact CD1-CD1 4.08Å |
| 1731 | S | 68.5 | Low | 72.1 | Confident | 20 Ų | 20 | 60.2 Ų | 60.2 | 14% | 0.14 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.3 | -28.6 | 179 | 62.7 | 0 | 0 | 0 | 0 | 113.5 | F1727 M1728 G1733 | F1727-S1731 PolarHBondContact O-N 3.26Å; F1727-S1731 PolarHBondContact O-OG 2.89Å; M1728-S1731 WeakPolarHBondContact CA-OG 3.08Å; M1728-S1731 PolarHBondContact O-N 3.39Å; M1728-S1731 PolarHBondContact O-OG 2.71Å; S1731-G1733 VanDerWaalsContact C-N 3.26Å; S1731-G1733 PolarHBondContact O-N 2.89Å |
| 1732 | N | 61.5 | Low | 71.8 | Confident | 93 Ų | 93 | 55.9 Ų | 55.9 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -1.3 | 175.9 | -64.9 | -16.9 | 0 | 0 | 0 | 113.4 | M1728 I1730 Q1734 | M1728-N1732 VanDerWaalsContact O-CB 3.3Å; M1728-N1732 WeakPolarHBondContact O-CB 3.39Å; M1728-N1732 PolarHBondContact O-N 3.32Å; M1728-N1732 PolarHBondContact O-ND2 3.19Å; M1728-N1732 PolarHBondContact O-OD1 2.96Å; I1730-N1732 PolarHBondContact O-N 3.35Å; N1732-Q1734 HydrophobicContact CB-CG 4.05Å; N1732-Q1734 PolarHBondContact O-N 3.36Å |
| 1733 | G | 64.8 | Low | 71.6 | Confident | 51 Ų | 51 | 56.5 Ų | 56.5 | 53% | 0.526 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 8.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | I1730 S1731 | I1730-G1733 PolarHBondContact O-N 2.98Å; S1731-G1733 VanDerWaalsContact C-N 3.26Å; S1731-G1733 PolarHBondContact O-N 2.89Å |
| 1734 | Q | 58.3 | Low | 71.6 | Confident | 132 Ų | 132 | 59.5 Ų | 59.5 | 62% | 0.617 | 32% | 0.317 | S | S | * | . | trans | -77.9 | -23 | -177.4 | -65.4 | -176 | -64 | 0 | 0 | 112.7 | N1729 N1732 | N1729-Q1734 PolarHBondContact O-N 3.18Å; N1732-Q1734 HydrophobicContact CB-CG 4.05Å; N1732-Q1734 PolarHBondContact O-N 3.36Å | ||
| 1735 | L | 64 | Low | 71.7 | Confident | 8 Ų | 8 | 56.8 Ų | 56.8 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | trans | -123.7 | 88.7 | -173.7 | -157.2 | 152.9 | 0 | 0 | 0 | 110.3 | F1726 N1729 L1737 D1776 I1777 Y1780 | F1726-L1735 HydrophobicContact CE2-CD2 4.26Å; N1729-L1735 HydrophobicContact CB-CB 4.1Å; N1729-L1735 HydrophobicContact CB-CD1 4.3Å; N1729-L1735 PolarHBondContact O-N 3.19Å; L1735-L1737 HydrophobicContact CD2-CD2 3.87Å; L1735-L1737 HydrophobicContact CD2-CG 4.07Å; L1735-D1776 HydrophobicContact CD1-CB 4Å; L1735-I1777 HydrophobicContact CD2-CD1 4.38Å; L1735-I1777 HydrophobicContact CD2-CG1 4.23Å; L1735-Y1780 HydrophobicContact CD1-CD2 4.17Å; L1735-Y1780 HydrophobicContact CD1-CE2 3.67Å | ||
| 1736 | Q | 62.7 | Low | 72.1 | Confident | 162 Ų | 162 | 56.7 Ų | 56.7 | 76% | 0.757 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -78.7 | 130.6 | 173.1 | -65.2 | -173.6 | -1.1 | 0 | 0 | 110.1 | ||
| 1737 | L | 67.3 | Low | 72.2 | Confident | 35 Ų | 35 | 62.7 Ų | 62.7 | 18% | 0.183 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -100.7 | 131.1 | 179.6 | -72.4 | 168.2 | 0 | 0 | 0 | 110.6 | F1690 F1726 I1730 L1735 F1767 I1777 | F1690-L1737 HydrophobicContact CE1-CD1 3.88Å; F1690-L1737 HydrophobicContact CZ-CD1 4.08Å; F1726-L1737 HydrophobicContact CZ-CD1 4.24Å; I1730-L1737 HydrophobicContact CD1-CD1 4.08Å; L1735-L1737 HydrophobicContact CD2-CD2 3.87Å; L1735-L1737 HydrophobicContact CD2-CG 4.07Å; L1737-F1767 HydrophobicContact CD2-CE2 4.35Å; L1737-I1777 HydrophobicContact CD2-CD1 3.79Å |
| 1738 | N | 72.2 | Confident | 72.3 | Confident | 60 Ų | 60 | 62.7 Ų | 62.7 | 32% | 0.321 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 145.1 | 173.6 | -55.2 | 14.3 | 0 | 0 | 0 | 109.7 | T1740 S1741 M1742 | N1738-T1740 PolarHBondContact O-N 3.36Å; N1738-S1741 WeakPolarHBondContact O-CA 3.27Å; N1738-S1741 WeakPolarHBondContact O-CB 3.32Å; N1738-S1741 PolarHBondContact O-N 3.08Å; N1738-M1742 PolarHBondContact O-N 3.01Å |
| 1739 | P | 71.3 | Confident | 72.8 | Confident | 110 Ų | 110 | 58.4 Ų | 58.4 | 71% | 0.714 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -57.9 | -36.2 | 180 | 21.3 | -32.5 | 0 | 0 | 0 | 112.8 | S1741 M1742 E1743 | P1739-S1741 PolarHBondContact O-N 3.36Å; P1739-M1742 WeakPolarHBondContact O-CB 3.43Å; P1739-M1742 PolarHBondContact O-N 2.82Å; P1739-E1743 PolarHBondContact O-N 3.05Å |
| 1740 | T | 72.7 | Confident | 73.5 | Confident | 70 Ų | 70 | 62.5 Ų | 62.5 | 43% | 0.429 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.3 | -37 | 173.3 | -11.4 | 0 | 0 | 0 | 0 | 112.7 | N1738 E1743 Y1744 | N1738-T1740 PolarHBondContact O-N 3.36Å; T1740-E1743 PolarHBondContact O-N 3.14Å; T1740-Y1744 HydrophobicContact CG2-CE2 4.23Å; T1740-Y1744 WeakPolarHBondContact O-CD2 3.23Å; T1740-Y1744 PolarHBondContact O-N 3.28Å; T1740-Y1744 VanDerWaalsContact O-N 3.13Å |
| 1741 | S | 72.1 | Confident | 73.9 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.007 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -72.2 | -33 | 176.2 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | N1738 P1739 L1745 F1767 S1770 | N1738-S1741 WeakPolarHBondContact O-CA 3.27Å; N1738-S1741 WeakPolarHBondContact O-CB 3.32Å; N1738-S1741 PolarHBondContact O-N 3.08Å; P1739-S1741 PolarHBondContact O-N 3.36Å; S1741-L1745 WeakPolarHBondContact O-CB 3.5Å; S1741-L1745 PolarHBondContact O-N 3.45Å; S1741-L1745 VanDerWaalsContact O-N 3.08Å; S1741-F1767 WeakPolarHBondContact O-CD2 3.33Å; S1741-S1770 PolarHBondContact OG-OG 3.05Å |
| 1742 | M | 75.6 | Confident | 74.5 | Confident | 27 Ų | 27 | 61.3 Ų | 61.3 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 171.7 | -167.7 | 62.4 | 166.2 | 0 | 0 | 111.3 | E1689 F1690 I1693 N1738 P1739 L1745 H1746 | E1689-M1742 HydrophobicContact CB-CE 4.09Å; F1690-M1742 HydrophobicContact CD1-CE 4.24Å; F1690-M1742 HydrophobicContact CE1-CE 3.6Å; F1690-M1742 HydrophobicContact CE1-SD 3.65Å; F1690-M1742 HydrophobicContact CE2-CE 4.1Å; F1690-M1742 HydrophobicContact CZ-CE 3.51Å; F1690-M1742 HydrophobicContact CZ-SD 3.78Å; I1693-M1742 HydrophobicContact CD1-CE 4.42Å; N1738-M1742 PolarHBondContact O-N 3.01Å; P1739-M1742 WeakPolarHBondContact O-CB 3.43Å; P1739-M1742 PolarHBondContact O-N 2.82Å; M1742-L1745 WeakPolarHBondContact O-CB 3.38Å; M1742-L1745 PolarHBondContact O-N 2.71Å; M1742-L1745 HydrophobicContact SD-CD2 4.3Å; M1742-H1746 PolarHBondContact O-CD2 3.06Å; M1742-H1746 PolarHBondContact O-N 3.43Å |
| 1743 | E | 79.6 | Confident | 75.3 | Confident | 107 Ų | 107 | 61.2 Ų | 61.2 | 50% | 0.5 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 175.2 | -171.6 | 172.3 | -146.7 | 0 | 0 | 112.1 | P1739 T1740 L1745 H1746 Y1747 | P1739-E1743 PolarHBondContact O-N 3.05Å; T1740-E1743 PolarHBondContact O-N 3.14Å; E1743-L1745 VanDerWaalsContact C-N 3.29Å; E1743-L1745 PolarHBondContact O-N 3.06Å; E1743-H1746 PolarHBondContact O-N 3.48Å; E1743-Y1747 HydrophobicContact CG-CD2 4Å; E1743-Y1747 HydrophobicContact CG-CE2 4.01Å; E1743-Y1747 WeakPolarHBondContact O-CD2 3.35Å; E1743-Y1747 PolarHBondContact O-N 3.33Å |
| 1744 | Y | 81.9 | Confident | 76 | Confident | 66 Ų | 66 | 62.3 Ų | 62.3 | 26% | 0.259 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62 | -34 | 173.5 | -65 | -50.2 | 0 | 0 | 0 | 113 | T1740 C1748 L1766 | T1740-Y1744 HydrophobicContact CG2-CE2 4.23Å; T1740-Y1744 WeakPolarHBondContact O-CD2 3.23Å; T1740-Y1744 PolarHBondContact O-N 3.28Å; T1740-Y1744 VanDerWaalsContact O-N 3.13Å; Y1744-C1748 VanDerWaalsContact O-CB 3.3Å; Y1744-C1748 WeakPolarHBondContact O-CB 3.36Å; Y1744-C1748 PolarHBondContact O-N 3.19Å; Y1744-L1766 HydrophobicContact CD1-CB 3.78Å; Y1744-L1766 HydrophobicContact CD1-CD1 4.23Å; Y1744-L1766 HydrophobicContact CD2-CB 4.31Å; Y1744-L1766 HydrophobicContact CE1-CB 3.84Å; Y1744-L1766 HydrophobicContact CE1-CD1 3.96Å; Y1744-L1766 HydrophobicContact CE1-CG 4.4Å; Y1744-L1766 HydrophobicContact CE2-CB 4.36Å; Y1744-L1766 HydrophobicContact CG-CB 4.06Å |
| 1745 | L | 81.8 | Confident | 76.9 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.3 | -46.2 | 175.9 | -166.7 | 75.3 | 0 | 0 | 0 | 111.1 | F1690 I1693 S1741 M1742 E1743 C1748 I1749 F1767 | F1690-L1745 HydrophobicContact CE1-CD2 4.46Å; I1693-L1745 HydrophobicContact CD1-CD2 4.02Å; I1693-L1745 HydrophobicContact CG2-CD2 4.31Å; S1741-L1745 WeakPolarHBondContact O-CB 3.5Å; S1741-L1745 PolarHBondContact O-N 3.45Å; S1741-L1745 VanDerWaalsContact O-N 3.08Å; M1742-L1745 WeakPolarHBondContact O-CB 3.38Å; M1742-L1745 PolarHBondContact O-N 2.71Å; M1742-L1745 HydrophobicContact SD-CD2 4.3Å; E1743-L1745 VanDerWaalsContact C-N 3.29Å; E1743-L1745 PolarHBondContact O-N 3.06Å; L1745-C1748 WeakPolarHBondContact O-CB 3.38Å; L1745-C1748 PolarHBondContact O-N 3.32Å; L1745-I1749 WeakPolarHBondContact O-CG1 3.38Å; L1745-I1749 PolarHBondContact O-N 3.19Å; L1745-F1767 HydrophobicContact CD1-CD2 4.49Å; L1745-F1767 HydrophobicContact CD1-CE2 4.22Å; L1745-F1767 HydrophobicContact CD1-CZ 4.48Å |
| 1746 | H | 83.8 | Confident | 77.8 | Confident | 86 Ų | 86 | 60.9 Ų | 60.9 | 40% | 0.398 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 175.3 | -87.2 | -79.8 | 0 | 0 | 0 | 112.5 | M1742 E1743 C1748 I1749 H1750 | M1742-H1746 PolarHBondContact O-CD2 3.06Å; M1742-H1746 PolarHBondContact O-N 3.43Å; E1743-H1746 PolarHBondContact O-N 3.48Å; H1746-C1748 VanDerWaalsContact C-N 3.27Å; H1746-C1748 PolarHBondContact O-N 3.08Å; H1746-I1749 PolarHBondContact O-N 2.99Å; H1746-H1750 PolarHBondContact O-N 2.92Å |
| 1747 | Y | 83.9 | Confident | 78.9 | Confident | 128 Ų | 128 | 54.1 Ų | 54.1 | 50% | 0.502 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.6 | -35.2 | 175.1 | -89.8 | -70.2 | 0 | 0 | 0 | 112.5 | E1743 S1751 | E1743-Y1747 HydrophobicContact CG-CD2 4Å; E1743-Y1747 HydrophobicContact CG-CE2 4.01Å; E1743-Y1747 WeakPolarHBondContact O-CD2 3.35Å; E1743-Y1747 PolarHBondContact O-N 3.33Å; Y1747-S1751 WeakPolarHBondContact O-CB 3.49Å; Y1747-S1751 PolarHBondContact O-N 2.84Å; Y1747-S1751 PolarHBondContact O-OG 3.04Å |
| 1748 | C | 84.3 | Confident | 79.6 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.02 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67 | -41.6 | 173.9 | -170.6 | 0 | 0 | 0 | 0 | 112.4 | Y1744 L1745 H1746 S1751 I1752 Q1763 | Y1744-C1748 VanDerWaalsContact O-CB 3.3Å; Y1744-C1748 WeakPolarHBondContact O-CB 3.36Å; Y1744-C1748 PolarHBondContact O-N 3.19Å; L1745-C1748 WeakPolarHBondContact O-CB 3.38Å; L1745-C1748 PolarHBondContact O-N 3.32Å; H1746-C1748 VanDerWaalsContact C-N 3.27Å; H1746-C1748 PolarHBondContact O-N 3.08Å; C1748-S1751 PolarHBondContact O-N 3.08Å; C1748-I1752 WeakPolarHBondContact O-CG1 3.42Å; C1748-I1752 PolarHBondContact O-N 3.16Å; C1748-Q1763 HydrophobicContact CB-CB 3.89Å |
| 1749 | I | 82.4 | Confident | 80.1 | Confident | 13 Ų | 13 | 57.7 Ų | 57.7 | 7% | 0.067 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.7 | -46.1 | 176.8 | -70.1 | -71.9 | 0 | 0 | 0 | 110.9 | I1693 V1696 L1697 L1745 H1746 S1751 I1752 E1753 | I1693-I1749 HydrophobicContact CG1-CG1 4.32Å; I1693-I1749 HydrophobicContact CG2-CD1 3.91Å; I1693-I1749 HydrophobicContact CG2-CG1 4.03Å; V1696-I1749 HydrophobicContact CB-CD1 4.43Å; V1696-I1749 HydrophobicContact CB-CG2 4.32Å; V1696-I1749 HydrophobicContact CG1-CD1 4.28Å; V1696-I1749 HydrophobicContact CG1-CG2 4.22Å; V1696-I1749 HydrophobicContact CG2-CG2 4.32Å; L1697-I1749 HydrophobicContact CD1-CD1 4.15Å; L1697-I1749 HydrophobicContact CD2-CD1 4.02Å; L1697-I1749 HydrophobicContact CG-CD1 3.77Å; L1745-I1749 WeakPolarHBondContact O-CG1 3.38Å; L1745-I1749 PolarHBondContact O-N 3.19Å; H1746-I1749 PolarHBondContact O-N 2.99Å; I1749-S1751 VanDerWaalsContact C-N 3.26Å; I1749-S1751 PolarHBondContact O-N 3.38Å; I1749-I1752 WeakPolarHBondContact O-CA 3.44Å; I1749-I1752 WeakPolarHBondContact O-CB 3.15Å; I1749-I1752 PolarHBondContact O-N 3.36Å; I1749-E1753 PolarHBondContact O-N 3.14Å |
| 1750 | H | 82.4 | Confident | 80.7 | Confident | 119 Ų | 119 | 52.5 Ų | 52.5 | 55% | 0.551 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -65.5 | -30.7 | 178.9 | -163.4 | 48.5 | 0 | 0 | 0 | 112.6 | H1746 I1752 E1753 S1754 | H1746-H1750 PolarHBondContact O-N 2.92Å; H1750-I1752 VanDerWaalsContact C-N 3.29Å; H1750-I1752 PolarHBondContact O-N 3.45Å; H1750-E1753 IonicContact CE1-OE2 2.7Å; H1750-E1753 IonicContact CG-OE2 2.63Å; H1750-E1753 IonicContact ND1-OE2 2.96Å; H1750-E1753 PolarHBondContact ND1-OE2 3.04Å; H1750-E1753 PolarHBondContact O-N 3.33Å; H1750-S1754 PolarHBondContact O-N 2.86Å; H1750-S1754 VanDerWaalsContact O-N 3.08Å; H1750-S1754 PolarHBondContact O-OG 3.09Å |
| 1751 | S | 80.5 | Confident | 81.3 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.1 | -24.2 | 170.4 | -56.1 | 0 | 0 | 0 | 0 | 113.3 | Y1747 C1748 I1749 S1754 D1756 | Y1747-S1751 WeakPolarHBondContact O-CB 3.49Å; Y1747-S1751 PolarHBondContact O-N 2.84Å; Y1747-S1751 PolarHBondContact O-OG 3.04Å; C1748-S1751 PolarHBondContact O-N 3.08Å; I1749-S1751 VanDerWaalsContact C-N 3.26Å; I1749-S1751 PolarHBondContact O-N 3.38Å; S1751-S1754 WeakPolarHBondContact CA-OG 3.34Å; S1751-S1754 PolarHBondContact O-OG 3.13Å; S1751-D1756 CarbonylContact O-C 3.31Å; S1751-D1756 VanDerWaalsContact O-C 3.31Å; S1751-D1756 WeakPolarHBondContact O-CA 3.43Å; S1751-D1756 PolarHBondContact O-N 3.44Å |
| 1752 | I | 80.5 | Confident | 81.8 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -79.3 | -40.4 | 173.2 | -70.1 | 163.1 | 0 | 0 | 0 | 110.3 | V1696 L1697 L1700 C1748 I1749 H1750 S1754 N1755 A1760 I1788 | V1696-I1752 HydrophobicContact CG1-CB 4.45Å; V1696-I1752 HydrophobicContact CG1-CG2 3.84Å; L1697-I1752 HydrophobicContact CD2-CD1 4.34Å; L1700-I1752 HydrophobicContact CD1-CG2 4.34Å; L1700-I1752 HydrophobicContact CD2-CD1 4.3Å; L1700-I1752 HydrophobicContact CD2-CG2 3.93Å; C1748-I1752 WeakPolarHBondContact O-CG1 3.42Å; C1748-I1752 PolarHBondContact O-N 3.16Å; I1749-I1752 WeakPolarHBondContact O-CA 3.44Å; I1749-I1752 WeakPolarHBondContact O-CB 3.15Å; I1749-I1752 PolarHBondContact O-N 3.36Å; H1750-I1752 VanDerWaalsContact C-N 3.29Å; H1750-I1752 PolarHBondContact O-N 3.45Å; I1752-S1754 VanDerWaalsContact C-N 3.32Å; I1752-S1754 PolarHBondContact O-N 2.8Å; I1752-N1755 PolarHBondContact O-N 2.94Å; I1752-N1755 VanDerWaalsContact O-N 3.14Å; I1752-A1760 HydrophobicContact CG1-CB 4.07Å; I1752-I1788 HydrophobicContact CD1-CD1 4.44Å; I1752-I1788 HydrophobicContact CD1-CG1 4.21Å |
| 1753 | E | 79.5 | Confident | 82.1 | Confident | 90 Ų | 90 | 56.5 Ų | 56.5 | 42% | 0.421 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 175.1 | -65.7 | 177.3 | 142 | 0 | 0 | 112.6 | V1696 I1749 H1750 N1755 | V1696-E1753 HydrophobicContact CG1-CG 4.46Å; V1696-E1753 HydrophobicContact CG2-CG 4.32Å; I1749-E1753 PolarHBondContact O-N 3.14Å; H1750-E1753 IonicContact CE1-OE2 2.7Å; H1750-E1753 IonicContact CG-OE2 2.63Å; H1750-E1753 IonicContact ND1-OE2 2.96Å; H1750-E1753 PolarHBondContact ND1-OE2 3.04Å; H1750-E1753 PolarHBondContact O-N 3.33Å; E1753-N1755 PolarHBondContact O-N 2.65Å |
| 1754 | S | 79 | Confident | 82.1 | Confident | 75 Ų | 75 | 51.4 Ų | 51.4 | 52% | 0.524 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 5.4 | 176.4 | 65.8 | 0 | 0 | 0 | 0 | 114.4 | H1750 S1751 I1752 D1756 | H1750-S1754 PolarHBondContact O-N 2.86Å; H1750-S1754 VanDerWaalsContact O-N 3.08Å; H1750-S1754 PolarHBondContact O-OG 3.09Å; S1751-S1754 WeakPolarHBondContact CA-OG 3.34Å; S1751-S1754 PolarHBondContact O-OG 3.13Å; I1752-S1754 VanDerWaalsContact C-N 3.32Å; I1752-S1754 PolarHBondContact O-N 2.8Å; S1754-D1756 PolarHBondContact O-N 2.75Å |
| 1755 | N | 77.7 | Confident | 82 | Confident | 60 Ų | 60 | 51.1 Ų | 51.1 | 32% | 0.321 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 15.3 | -171.9 | -56.9 | -53.7 | 0 | 0 | 0 | 114.8 | I1752 E1753 Y1757 E1797 M1798 | I1752-N1755 PolarHBondContact O-N 2.94Å; I1752-N1755 VanDerWaalsContact O-N 3.14Å; E1753-N1755 PolarHBondContact O-N 2.65Å; N1755-Y1757 WeakPolarHBondContact O-CD2 3.39Å; N1755-Y1757 PolarHBondContact O-N 2.99Å; N1755-Y1757 VanDerWaalsContact O-N 3.11Å; N1755-E1797 WeakPolarHBondContact OD1-CA 3.42Å; N1755-M1798 PolarHBondContact OD1-N 2.7Å |
| 1756 | D | 83.7 | Confident | 81.9 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 27% | 0.267 | 27% | 0.269 | S | S | . | . | trans | -86.6 | 77.8 | 178.3 | -166 | -22.6 | 0 | 0 | 0 | 112.5 | S1751 S1754 I1758 N1759 A1760 | S1751-D1756 CarbonylContact O-C 3.31Å; S1751-D1756 VanDerWaalsContact O-C 3.31Å; S1751-D1756 WeakPolarHBondContact O-CA 3.43Å; S1751-D1756 PolarHBondContact O-N 3.44Å; S1754-D1756 PolarHBondContact O-N 2.75Å; D1756-I1758 PolarHBondContact O-N 2.91Å; D1756-I1758 WeakPolarHBondContact OD1-CA 3.25Å; D1756-I1758 WeakPolarHBondContact OD1-CB 3.49Å; D1756-I1758 PolarHBondContact OD1-N 3.44Å; D1756-N1759 HydrophobicContact CB-CB 4.38Å; D1756-N1759 PolarHBondContact O-N 3.11Å; D1756-N1759 PolarHBondContact OD1-N 3.38Å; D1756-N1759 PolarHBondContact OD2-ND2 2.87Å; D1756-A1760 WeakPolarHBondContact O-CB 3.46Å; D1756-A1760 PolarHBondContact O-N 2.68Å | ||
| 1757 | Y | 84.2 | Confident | 81.8 | Confident | 19 Ų | 19 | 49.8 Ų | 49.8 | 8% | 0.075 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -0.5 | 173.6 | -53.9 | -67.4 | 0 | 0 | 0 | 114.6 | L1700 N1755 L1761 I1788 A1791 K1792 I1796 | L1700-Y1757 HydrophobicContact CD1-CE1 4.26Å; N1755-Y1757 WeakPolarHBondContact O-CD2 3.39Å; N1755-Y1757 PolarHBondContact O-N 2.99Å; N1755-Y1757 VanDerWaalsContact O-N 3.11Å; Y1757-L1761 WeakPolarHBondContact O-CD1 3.29Å; Y1757-L1761 VanDerWaalsContact O-CG 3.28Å; Y1757-L1761 WeakPolarHBondContact O-CG 3.15Å; Y1757-I1788 HydrophobicContact CD1-CG2 4.28Å; Y1757-A1791 HydrophobicContact CD1-CB 3.86Å; Y1757-A1791 HydrophobicContact CE1-CB 3.44Å; Y1757-A1791 VanDerWaalsContact CE1-CB 3.44Å; Y1757-K1792 HydrophobicContact CG-CB 4.36Å; Y1757-I1796 WeakPolarHBondContact CE2-O 3.37Å; Y1757-I1796 PolarHBondContact OH-O 3.18Å |
| 1758 | I | 83.4 | Confident | 81.3 | Confident | 105 Ų | 105 | 46.6 Ų | 46.6 | 54% | 0.538 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -51 | 173.1 | -58.1 | -179.4 | 0 | 0 | 0 | 109.1 | D1756 L1761 Q1762 | D1756-I1758 PolarHBondContact O-N 2.91Å; D1756-I1758 WeakPolarHBondContact OD1-CA 3.25Å; D1756-I1758 WeakPolarHBondContact OD1-CB 3.49Å; D1756-I1758 PolarHBondContact OD1-N 3.44Å; I1758-L1761 PolarHBondContact O-N 3.14Å; I1758-Q1762 PolarHBondContact O-N 3.32Å |
| 1759 | N | 82.2 | Confident | 80.8 | Confident | 66 Ų | 66 | 52.5 Ų | 52.5 | 35% | 0.353 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 174.4 | -82.2 | -42 | 0 | 0 | 0 | 111.6 | D1756 L1761 Q1762 Q1763 | D1756-N1759 HydrophobicContact CB-CB 4.38Å; D1756-N1759 PolarHBondContact O-N 3.11Å; D1756-N1759 PolarHBondContact OD1-N 3.38Å; D1756-N1759 PolarHBondContact OD2-ND2 2.87Å; N1759-L1761 PolarHBondContact O-N 2.72Å; N1759-Q1762 PolarHBondContact O-N 2.96Å; N1759-Q1763 WeakPolarHBondContact O-CG 3.47Å; N1759-Q1763 PolarHBondContact O-N 3.04Å |
| 1760 | A | 82.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.3 | -37 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1752 D1756 I1764 I1788 | I1752-A1760 HydrophobicContact CG1-CB 4.07Å; D1756-A1760 WeakPolarHBondContact O-CB 3.46Å; D1756-A1760 PolarHBondContact O-N 2.68Å; A1760-I1764 WeakPolarHBondContact O-CB 3.24Å; A1760-I1764 PolarHBondContact O-N 2.86Å; A1760-I1788 HydrophobicContact CB-CD1 4.33Å; A1760-I1788 HydrophobicContact CB-CG2 3.85Å |
| 1761 | L | 85.4 | Confident | 79.2 | Confident | 29 Ų | 29 | 48.1 Ų | 48.1 | 15% | 0.152 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73.8 | -22 | 175.5 | -76.9 | 175.2 | 0 | 0 | 0 | 113.8 | Y1757 I1758 N1759 I1764 N1765 I1788 Q1789 K1792 | Y1757-L1761 WeakPolarHBondContact O-CD1 3.29Å; Y1757-L1761 VanDerWaalsContact O-CG 3.28Å; Y1757-L1761 WeakPolarHBondContact O-CG 3.15Å; I1758-L1761 PolarHBondContact O-N 3.14Å; N1759-L1761 PolarHBondContact O-N 2.72Å; L1761-I1764 HydrophobicContact CD2-CG2 4.45Å; L1761-N1765 PolarHBondContact O-ND2 2.91Å; L1761-I1788 HydrophobicContact CD2-CB 3.99Å; L1761-I1788 HydrophobicContact CD2-CG2 3.73Å; L1761-I1788 HydrophobicContact CG-CB 4.5Å; L1761-I1788 HydrophobicContact CG-CG2 3.68Å; L1761-Q1789 HydrophobicContact CD2-CG 4.02Å; L1761-K1792 HydrophobicContact CD1-CD 3.76Å |
| 1762 | Q | 82.6 | Confident | 78 | Confident | 117 Ų | 117 | 53.8 Ų | 53.8 | 55% | 0.547 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -76.6 | -49.8 | 169.6 | -72.9 | -173 | -28.1 | 0 | 0 | 110.7 | I1758 N1759 I1764 N1765 L1766 | I1758-Q1762 PolarHBondContact O-N 3.32Å; N1759-Q1762 PolarHBondContact O-N 2.96Å; Q1762-I1764 VanDerWaalsContact C-N 3.31Å; Q1762-I1764 PolarHBondContact O-N 3.47Å; Q1762-N1765 PolarHBondContact O-N 2.82Å; Q1762-L1766 PolarHBondContact O-N 2.91Å |
| 1763 | Q | 82.3 | Confident | 76.6 | Confident | 36 Ų | 36 | 62.2 Ų | 62.2 | 17% | 0.168 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61 | -37.5 | -177.9 | -60.7 | -61.5 | -11.2 | 0 | 0 | 112.5 | C1748 N1759 N1765 L1766 F1767 | C1748-Q1763 HydrophobicContact CB-CB 3.89Å; N1759-Q1763 WeakPolarHBondContact O-CG 3.47Å; N1759-Q1763 PolarHBondContact O-N 3.04Å; Q1763-N1765 VanDerWaalsContact C-N 3.27Å; Q1763-N1765 PolarHBondContact O-N 2.59Å; Q1763-L1766 PolarHBondContact O-N 3.24Å; Q1763-F1767 PolarHBondContact O-N 3.16Å |
| 1764 | I | 80.7 | Confident | 75.5 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.6 | -24.9 | 176.5 | -151.6 | 70.1 | 0 | 0 | 0 | 113.6 | A1760 L1761 Q1762 F1767 I1768 L1784 K1785 I1788 | A1760-I1764 WeakPolarHBondContact O-CB 3.24Å; A1760-I1764 PolarHBondContact O-N 2.86Å; L1761-I1764 HydrophobicContact CD2-CG2 4.45Å; Q1762-I1764 VanDerWaalsContact C-N 3.31Å; Q1762-I1764 PolarHBondContact O-N 3.47Å; I1764-F1767 HydrophobicContact CD1-CD1 4.33Å; I1764-I1768 WeakPolarHBondContact O-CD1 3.42Å; I1764-I1768 VanDerWaalsContact O-CG1 3.23Å; I1764-I1768 WeakPolarHBondContact O-CG1 3.49Å; I1764-I1768 PolarHBondContact O-N 3.49Å; I1764-L1784 HydrophobicContact CD1-CB 3.65Å; I1764-L1784 HydrophobicContact CD1-CD1 4.15Å; I1764-L1784 HydrophobicContact CD1-CD2 4.37Å; I1764-L1784 HydrophobicContact CD1-CG 4.27Å; I1764-L1784 HydrophobicContact CG1-CB 4.05Å; I1764-K1785 HydrophobicContact CG2-CB 4.32Å; I1764-K1785 HydrophobicContact CG2-CG 4.32Å; I1764-I1788 HydrophobicContact CB-CD1 4.02Å; I1764-I1788 HydrophobicContact CD1-CD1 4.34Å; I1764-I1788 HydrophobicContact CG1-CD1 4.16Å; I1764-I1788 HydrophobicContact CG2-CD1 4.26Å |
| 1765 | N | 79.2 | Confident | 74.4 | Confident | 59 Ų | 59 | 60.8 Ų | 60.8 | 32% | 0.316 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -77.1 | -36.6 | 172.6 | -70.3 | -51.4 | 0 | 0 | 0 | 111.5 | L1761 Q1762 Q1763 I1768 Q1769 K1785 | L1761-N1765 PolarHBondContact O-ND2 2.91Å; Q1762-N1765 PolarHBondContact O-N 2.82Å; Q1763-N1765 VanDerWaalsContact C-N 3.27Å; Q1763-N1765 PolarHBondContact O-N 2.59Å; N1765-I1768 PolarHBondContact O-N 2.85Å; N1765-Q1769 WeakPolarHBondContact O-CG 3.26Å; N1765-Q1769 PolarHBondContact O-N 3.42Å; N1765-K1785 WeakPolarHBondContact OD1-CE 3.43Å; N1765-K1785 PolarHBondContact OD1-NZ 2.77Å |
| 1766 | L | 80.4 | Confident | 73.4 | Confident | 61 Ų | 61 | 61.1 Ų | 61.1 | 32% | 0.319 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 173.6 | -68.2 | 169.2 | 0 | 0 | 0 | 111.4 | Y1744 Q1762 Q1763 I1768 Q1769 S1770 | Y1744-L1766 HydrophobicContact CD1-CB 3.78Å; Y1744-L1766 HydrophobicContact CD1-CD1 4.23Å; Y1744-L1766 HydrophobicContact CD2-CB 4.31Å; Y1744-L1766 HydrophobicContact CE1-CB 3.84Å; Y1744-L1766 HydrophobicContact CE1-CD1 3.96Å; Y1744-L1766 HydrophobicContact CE1-CG 4.4Å; Y1744-L1766 HydrophobicContact CE2-CB 4.36Å; Y1744-L1766 HydrophobicContact CG-CB 4.06Å; Q1762-L1766 PolarHBondContact O-N 2.91Å; Q1763-L1766 PolarHBondContact O-N 3.24Å; L1766-I1768 PolarHBondContact O-N 3.08Å; L1766-Q1769 PolarHBondContact O-N 2.78Å; L1766-S1770 WeakPolarHBondContact O-CB 3.45Å; L1766-S1770 PolarHBondContact O-N 3.21Å |
| 1767 | F | 80.9 | Confident | 72.2 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54 | -50.4 | 170.5 | 176 | -102.5 | 0 | 0 | 0 | 111.9 | L1737 S1741 L1745 Q1763 I1764 Q1769 S1770 A1771 I1777 | L1737-F1767 HydrophobicContact CD2-CE2 4.35Å; S1741-F1767 WeakPolarHBondContact O-CD2 3.33Å; L1745-F1767 HydrophobicContact CD1-CD2 4.49Å; L1745-F1767 HydrophobicContact CD1-CE2 4.22Å; L1745-F1767 HydrophobicContact CD1-CZ 4.48Å; Q1763-F1767 PolarHBondContact O-N 3.16Å; I1764-F1767 HydrophobicContact CD1-CD1 4.33Å; F1767-Q1769 VanDerWaalsContact C-N 3.32Å; F1767-Q1769 PolarHBondContact O-N 3.13Å; F1767-S1770 PolarHBondContact O-N 3Å; F1767-S1770 PolarHBondContact O-OG 2.78Å; F1767-A1771 PolarHBondContact O-N 3.19Å; F1767-I1777 HydrophobicContact CE1-CG2 3.75Å; F1767-I1777 HydrophobicContact CZ-CG2 3.95Å |
| 1768 | I | 73.9 | Confident | 71.1 | Confident | 62 Ų | 62 | 64.7 Ų | 64.7 | 32% | 0.318 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.2 | -37.4 | 177.6 | -68.7 | 166.6 | 0 | 0 | 0 | 111.9 | I1764 N1765 L1766 K1785 | I1764-I1768 WeakPolarHBondContact O-CD1 3.42Å; I1764-I1768 VanDerWaalsContact O-CG1 3.23Å; I1764-I1768 WeakPolarHBondContact O-CG1 3.49Å; I1764-I1768 PolarHBondContact O-N 3.49Å; N1765-I1768 PolarHBondContact O-N 2.85Å; L1766-I1768 PolarHBondContact O-N 3.08Å; I1768-K1785 HydrophobicContact CD1-CD 4.24Å |
| 1769 | Q | 74.1 | Confident | 70.2 | Confident | 126 Ų | 126 | 63 Ų | 63 | 59% | 0.589 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -71.9 | -32.8 | 176.5 | -74.4 | 172.5 | -23.3 | 0 | 0 | 113.1 | N1765 L1766 F1767 A1771 I1772 | N1765-Q1769 WeakPolarHBondContact O-CG 3.26Å; N1765-Q1769 PolarHBondContact O-N 3.42Å; L1766-Q1769 PolarHBondContact O-N 2.78Å; F1767-Q1769 VanDerWaalsContact C-N 3.32Å; F1767-Q1769 PolarHBondContact O-N 3.13Å; Q1769-A1771 PolarHBondContact O-N 3.42Å; Q1769-I1772 WeakPolarHBondContact O-CD1 3.49Å; Q1769-I1772 WeakPolarHBondContact O-CG1 3.49Å |
| 1770 | S | 68.9 | Low | 69.7 | Low | 36 Ų | 36 | 60.7 Ų | 60.7 | 25% | 0.252 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.9 | -20 | 176.7 | 75.9 | 0 | 0 | 0 | 0 | 113.6 | S1741 L1766 F1767 | S1741-S1770 PolarHBondContact OG-OG 3.05Å; L1766-S1770 WeakPolarHBondContact O-CB 3.45Å; L1766-S1770 PolarHBondContact O-N 3.21Å; F1767-S1770 PolarHBondContact O-N 3Å; F1767-S1770 PolarHBondContact O-OG 2.78Å |
| 1771 | A | 61.2 | Low | 69.3 | Low | 4 Ų | 4 | 60.8 Ų | 60.8 | 3% | 0.033 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 15 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115 | F1767 Q1769 Q1773 L1774 I1777 | F1767-A1771 PolarHBondContact O-N 3.19Å; Q1769-A1771 PolarHBondContact O-N 3.42Å; A1771-Q1773 PolarHBondContact O-N 2.93Å; A1771-L1774 PolarHBondContact O-N 3.31Å; A1771-I1777 HydrophobicContact CB-CB 3.8Å; A1771-I1777 HydrophobicContact CB-CD1 3.81Å; A1771-I1777 HydrophobicContact CB-CG1 4.38Å; A1771-I1777 HydrophobicContact CB-CG2 3.46Å; A1771-I1777 VanDerWaalsContact CB-CG2 3.46Å |
| 1772 | I | 56.4 | Low | 69 | Low | 132 Ų | 132 | 62.9 Ų | 62.9 | 68% | 0.677 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -24.4 | -173.5 | -69.6 | 167.7 | 0 | 0 | 0 | 113.4 | Q1769 | Q1769-I1772 WeakPolarHBondContact O-CD1 3.49Å; Q1769-I1772 WeakPolarHBondContact O-CG1 3.49Å |
| 1773 | Q | 49.5 | Very low | 68.9 | Low | 179 Ų | 179 | 57.5 Ų | 57.5 | 84% | 0.836 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -8.6 | 177.7 | -69.7 | 178.8 | -30.7 | 0 | 0 | 114.7 | A1771 | A1771-Q1773 PolarHBondContact O-N 2.93Š|
| 1774 | L | 56.7 | Low | 69 | Low | 46 Ų | 46 | 56 Ų | 56 | 24% | 0.241 | 30% | 0.301 | C | S | . | . | trans | -113 | 103.9 | -177.5 | -76.6 | 158.5 | 0 | 0 | 0 | 109.9 | A1771 D1776 I1777 | A1771-L1774 PolarHBondContact O-N 3.31Å; L1774-D1776 PolarHBondContact O-N 2.72Å; L1774-D1776 VanDerWaalsContact O-N 3.1Å; L1774-I1777 HydrophobicContact CB-CB 4.44Å; L1774-I1777 HydrophobicContact CB-CD1 3.92Å; L1774-I1777 HydrophobicContact CB-CG1 4.02Å; L1774-I1777 HydrophobicContact CD1-CD1 3.6Å; L1774-I1777 HydrophobicContact CD1-CG1 4.49Å; L1774-I1777 HydrophobicContact CG-CD1 4.38Å; L1774-I1777 PolarHBondContact O-N 2.76Å | ||
| 1775 | S | 56.9 | Low | 69.3 | Low | 89 Ų | 89 | 59.1 Ų | 59.1 | 62% | 0.622 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.4 | -40.9 | 176.4 | 42.4 | 0 | 0 | 0 | 0 | 112.7 | Q1778 | S1775-Q1778 WeakPolarHBondContact O-CB 3.23Å; S1775-Q1778 PolarHBondContact O-N 3.02Å |
| 1776 | D | 55.6 | Low | 69.5 | Low | 66 Ų | 66 | 61.2 Ų | 61.2 | 35% | 0.353 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -29.7 | -165.8 | -56.2 | 2.7 | 0 | 0 | 0 | 111.5 | L1735 L1774 Q1778 C1779 Y1780 | L1735-D1776 HydrophobicContact CD1-CB 4Å; L1774-D1776 PolarHBondContact O-N 2.72Å; L1774-D1776 VanDerWaalsContact O-N 3.1Å; D1776-Q1778 PolarHBondContact O-N 3.31Å; D1776-C1779 WeakPolarHBondContact O-CB 3.5Å; D1776-C1779 PolarHBondContact O-N 3.06Å; D1776-Y1780 HydrophobicContact CB-CE2 4.48Å; D1776-Y1780 WeakPolarHBondContact O-CD2 3.42Å; D1776-Y1780 VanDerWaalsContact O-CE2 3.24Å; D1776-Y1780 WeakPolarHBondContact O-CE2 3.48Å |
| 1777 | I | 58.9 | Low | 69.8 | Low | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.5 | -24.6 | 179.9 | -63 | -179.2 | 0 | 0 | 0 | 111.6 | L1735 L1737 F1767 A1771 L1774 C1779 Y1780 G1781 | L1735-I1777 HydrophobicContact CD2-CD1 4.38Å; L1735-I1777 HydrophobicContact CD2-CG1 4.23Å; L1737-I1777 HydrophobicContact CD2-CD1 3.79Å; F1767-I1777 HydrophobicContact CE1-CG2 3.75Å; F1767-I1777 HydrophobicContact CZ-CG2 3.95Å; A1771-I1777 HydrophobicContact CB-CB 3.8Å; A1771-I1777 HydrophobicContact CB-CD1 3.81Å; A1771-I1777 HydrophobicContact CB-CG1 4.38Å; A1771-I1777 HydrophobicContact CB-CG2 3.46Å; A1771-I1777 VanDerWaalsContact CB-CG2 3.46Å; L1774-I1777 HydrophobicContact CB-CB 4.44Å; L1774-I1777 HydrophobicContact CB-CD1 3.92Å; L1774-I1777 HydrophobicContact CB-CG1 4.02Å; L1774-I1777 HydrophobicContact CD1-CD1 3.6Å; L1774-I1777 HydrophobicContact CD1-CG1 4.49Å; L1774-I1777 HydrophobicContact CG-CD1 4.38Å; L1774-I1777 PolarHBondContact O-N 2.76Å; I1777-C1779 PolarHBondContact O-N 2.97Å; I1777-Y1780 PolarHBondContact O-N 2.97Å; I1777-Y1780 VanDerWaalsContact O-N 3.11Å; I1777-G1781 PolarHBondContact O-N 3.19Å |
| 1778 | Q | 60.3 | Low | 70 | Confident | 141 Ų | 141 | 58.3 Ų | 58.3 | 66% | 0.659 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -60.8 | -24.1 | 173.2 | -57.1 | -165.6 | 12.5 | 0 | 0 | 112.8 | S1775 D1776 P1782 | S1775-Q1778 WeakPolarHBondContact O-CB 3.23Å; S1775-Q1778 PolarHBondContact O-N 3.02Å; D1776-Q1778 PolarHBondContact O-N 3.31Å; Q1778-P1782 WeakPolarHBondContact O-CD 3.44Å; Q1778-P1782 WeakPolarHBondContact O-CG 3.15Å |
| 1779 | C | 65.1 | Low | 70.6 | Confident | 70 Ų | 70 | 59.8 Ų | 59.8 | 47% | 0.473 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -78 | -25.9 | 176.7 | -71.7 | 0 | 0 | 0 | 0 | 114.2 | R1722 D1776 I1777 | R1722-C1779 PolarHBondContact NH1-O 3Å; D1776-C1779 WeakPolarHBondContact O-CB 3.5Å; D1776-C1779 PolarHBondContact O-N 3.06Å; I1777-C1779 PolarHBondContact O-N 2.97Å |
| 1780 | Y | 72.5 | Confident | 71 | Confident | 17 Ų | 17 | 54.1 Ų | 54.1 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -103.9 | -38.5 | -171.1 | -53.5 | -65.3 | 0 | 0 | 0 | 113.7 | R1722 Q1725 F1726 N1729 L1735 D1776 I1777 P1782 A1783 L1784 | R1722-Y1780 WeakPolarHBondContact O-CD1 3.34Å; R1722-Y1780 WeakPolarHBondContact O-CE1 3.45Å; Q1725-Y1780 HydrophobicContact CB-CE1 3.99Å; F1726-Y1780 HydrophobicContact CB-CD1 3.71Å; F1726-Y1780 HydrophobicContact CB-CE1 4.01Å; F1726-Y1780 HydrophobicContact CB-CG 4.02Å; F1726-Y1780 HydrophobicContact CD2-CD1 4.37Å; F1726-Y1780 AromaticContact CD2-CD2 3.8Å; F1726-Y1780 HydrophobicContact CD2-CD2 3.8Å; F1726-Y1780 HydrophobicContact CD2-CE2 4.39Å; F1726-Y1780 AromaticContact CD2-CG 3.8Å; F1726-Y1780 HydrophobicContact CD2-CG 3.8Å; F1726-Y1780 HydrophobicContact CG-CD1 4.48Å; F1726-Y1780 HydrophobicContact CG-CG 4.31Å; N1729-Y1780 PolarHBondContact ND2-OH 3.39Å; L1735-Y1780 HydrophobicContact CD1-CD2 4.17Å; L1735-Y1780 HydrophobicContact CD1-CE2 3.67Å; D1776-Y1780 HydrophobicContact CB-CE2 4.48Å; D1776-Y1780 WeakPolarHBondContact O-CD2 3.42Å; D1776-Y1780 VanDerWaalsContact O-CE2 3.24Å; D1776-Y1780 WeakPolarHBondContact O-CE2 3.48Å; I1777-Y1780 PolarHBondContact O-N 2.97Å; I1777-Y1780 VanDerWaalsContact O-N 3.11Å; Y1780-P1782 VanDerWaalsContact C-CD 3.48Å; Y1780-P1782 VanDerWaalsContact C-N 3.33Å; Y1780-A1783 WeakPolarHBondContact O-CB 3.42Å; Y1780-A1783 PolarHBondContact O-N 3.24Å; Y1780-L1784 PolarHBondContact O-N 2.87Å |
| 1781 | G | 74.5 | Confident | 71.6 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -50.1 | -43.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I1777 A1783 K1785 | I1777-G1781 PolarHBondContact O-N 3.19Å; G1781-A1783 VanDerWaalsContact C-N 3.29Å; G1781-A1783 PolarHBondContact O-N 3.29Å; G1781-K1785 WeakPolarHBondContact O-CB 3.46Å; G1781-K1785 PolarHBondContact O-N 2.89Å |
| 1782 | P | 79.1 | Confident | 72.7 | Confident | 73 Ų | 73 | 57.1 Ų | 57.1 | 47% | 0.474 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.6 | -29.7 | 175.1 | -26.1 | 36.3 | 0 | 0 | 0 | 114.7 | Q1778 Y1780 R1786 | Q1778-P1782 WeakPolarHBondContact O-CD 3.44Å; Q1778-P1782 WeakPolarHBondContact O-CG 3.15Å; Y1780-P1782 VanDerWaalsContact C-CD 3.48Å; Y1780-P1782 VanDerWaalsContact C-N 3.33Å; P1782-R1786 VanDerWaalsContact O-CB 3.29Å; P1782-R1786 WeakPolarHBondContact O-CB 3.48Å; P1782-R1786 PolarHBondContact O-N 2.97Å |
| 1783 | A | 80.6 | Confident | 73.8 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 3% | 0.033 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.9 | -47.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1719 R1722 Y1780 G1781 R1786 L1787 | V1719-A1783 HydrophobicContact CG2-CB 4.41Å; R1722-A1783 HydrophobicContact CB-CB 3.9Å; R1722-A1783 HydrophobicContact CG-CB 4.46Å; Y1780-A1783 WeakPolarHBondContact O-CB 3.42Å; Y1780-A1783 PolarHBondContact O-N 3.24Å; G1781-A1783 VanDerWaalsContact C-N 3.29Å; G1781-A1783 PolarHBondContact O-N 3.29Å; A1783-R1786 WeakPolarHBondContact O-CB 3.35Å; A1783-R1786 PolarHBondContact O-N 3.11Å; A1783-L1787 PolarHBondContact O-N 3.07Å |
| 1784 | L | 83.3 | Confident | 75 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 173 | -90.6 | 155.1 | 0 | 0 | 0 | 111.6 | L1697 L1723 I1764 Y1780 R1786 L1787 I1788 | L1697-L1784 HydrophobicContact CD1-CD2 4.02Å; L1697-L1784 HydrophobicContact CD2-CD2 3.61Å; L1723-L1784 HydrophobicContact CD2-CD1 4.36Å; L1723-L1784 HydrophobicContact CD2-CD2 4.47Å; L1723-L1784 HydrophobicContact CD2-CG 4.15Å; I1764-L1784 HydrophobicContact CD1-CB 3.65Å; I1764-L1784 HydrophobicContact CD1-CD1 4.15Å; I1764-L1784 HydrophobicContact CD1-CD2 4.37Å; I1764-L1784 HydrophobicContact CD1-CG 4.27Å; I1764-L1784 HydrophobicContact CG1-CB 4.05Å; Y1780-L1784 PolarHBondContact O-N 2.87Å; L1784-R1786 VanDerWaalsContact C-N 3.3Å; L1784-R1786 PolarHBondContact O-N 3.21Å; L1784-L1787 WeakPolarHBondContact O-CB 3.28Å; L1784-L1787 PolarHBondContact O-N 2.65Å; L1784-L1787 VanDerWaalsContact O-N 3.16Å; L1784-I1788 WeakPolarHBondContact O-CG1 3.34Å; L1784-I1788 PolarHBondContact O-N 3.08Å; L1784-I1788 VanDerWaalsContact O-N 3.08Å |
| 1785 | K | 86.6 | Confident | 75.8 | Confident | 67 Ų | 67 | 53.3 Ų | 53.3 | 29% | 0.291 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.4 | -39.7 | 175.9 | -173.1 | 165.6 | 179 | 168 | 0 | 112.2 | I1764 N1765 I1768 G1781 Q1789 | I1764-K1785 HydrophobicContact CG2-CB 4.32Å; I1764-K1785 HydrophobicContact CG2-CG 4.32Å; N1765-K1785 WeakPolarHBondContact OD1-CE 3.43Å; N1765-K1785 PolarHBondContact OD1-NZ 2.77Å; I1768-K1785 HydrophobicContact CD1-CD 4.24Å; G1781-K1785 WeakPolarHBondContact O-CB 3.46Å; G1781-K1785 PolarHBondContact O-N 2.89Å; K1785-Q1789 WeakPolarHBondContact O-CB 3.38Å; K1785-Q1789 VanDerWaalsContact O-CG 3.24Å; K1785-Q1789 WeakPolarHBondContact O-CG 3.34Å; K1785-Q1789 PolarHBondContact O-N 3.08Å; K1785-Q1789 VanDerWaalsContact O-N 3.11Å |
| 1786 | R | 84.2 | Confident | 76.1 | Confident | 104 Ų | 104 | 49.6 Ų | 49.6 | 39% | 0.392 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.2 | -40.3 | 175 | -175 | -179.3 | -104.6 | -178.7 | -3.3 | 112 | D1718 V1719 P1782 A1783 L1784 Q1789 T1790 | D1718-R1786 IonicContact OD2-NH1 3.24Å; D1718-R1786 PolarHBondContact OD2-NH1 2.81Å; V1719-R1786 HydrophobicContact CG2-CB 4.28Å; V1719-R1786 HydrophobicContact CG2-CG 4.24Å; P1782-R1786 VanDerWaalsContact O-CB 3.29Å; P1782-R1786 WeakPolarHBondContact O-CB 3.48Å; P1782-R1786 PolarHBondContact O-N 2.97Å; A1783-R1786 WeakPolarHBondContact O-CB 3.35Å; A1783-R1786 PolarHBondContact O-N 3.11Å; L1784-R1786 VanDerWaalsContact C-N 3.3Å; L1784-R1786 PolarHBondContact O-N 3.21Å; R1786-Q1789 PolarHBondContact O-N 3.49Å; R1786-T1790 PolarHBondContact O-N 2.65Å; R1786-T1790 PolarHBondContact O-OG1 3.03Å; R1786-T1790 VanDerWaalsContact O-OG1 3.14Å |
| 1787 | L | 86.5 | Confident | 76.4 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.7 | -51 | 177.1 | -176.3 | 60.4 | 0 | 0 | 0 | 112 | L1697 L1700 I1701 L1716 V1719 L1723 A1783 L1784 Q1789 T1790 A1791 | L1697-L1787 HydrophobicContact CD2-CD2 3.95Å; L1700-L1787 HydrophobicContact CD2-CD1 4.48Å; L1700-L1787 HydrophobicContact CD2-CD2 4.03Å; L1700-L1787 HydrophobicContact CD2-CG 3.92Å; L1700-L1787 HydrophobicContact CG-CG 4.49Å; I1701-L1787 HydrophobicContact CD1-CD2 4.48Å; I1701-L1787 HydrophobicContact CG1-CD1 3.69Å; I1701-L1787 HydrophobicContact CG1-CD2 4.04Å; L1716-L1787 HydrophobicContact CD2-CD1 3.76Å; V1719-L1787 HydrophobicContact CG1-CB 4.04Å; V1719-L1787 HydrophobicContact CG1-CD1 4.34Å; V1719-L1787 HydrophobicContact CG1-CD2 4.44Å; L1723-L1787 HydrophobicContact CD1-CD2 4.27Å; A1783-L1787 PolarHBondContact O-N 3.07Å; L1784-L1787 WeakPolarHBondContact O-CB 3.28Å; L1784-L1787 PolarHBondContact O-N 2.65Å; L1784-L1787 VanDerWaalsContact O-N 3.16Å; L1787-Q1789 VanDerWaalsContact C-N 3.32Å; L1787-Q1789 PolarHBondContact O-N 2.82Å; L1787-T1790 WeakPolarHBondContact CA-OG1 3.44Å; L1787-T1790 PolarHBondContact O-N 3.03Å; L1787-T1790 VanDerWaalsContact O-N 3.13Å; L1787-T1790 PolarHBondContact O-OG1 2.94Å; L1787-A1791 PolarHBondContact O-N 3.21Å |
| 1788 | I | 85 | Confident | 76.2 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.6 | -37.1 | -179.2 | -56.9 | 163.1 | 0 | 0 | 0 | 110.4 | I1752 Y1757 A1760 L1761 I1764 L1784 A1791 K1792 | I1752-I1788 HydrophobicContact CD1-CD1 4.44Å; I1752-I1788 HydrophobicContact CD1-CG1 4.21Å; Y1757-I1788 HydrophobicContact CD1-CG2 4.28Å; A1760-I1788 HydrophobicContact CB-CD1 4.33Å; A1760-I1788 HydrophobicContact CB-CG2 3.85Å; L1761-I1788 HydrophobicContact CD2-CB 3.99Å; L1761-I1788 HydrophobicContact CD2-CG2 3.73Å; L1761-I1788 HydrophobicContact CG-CB 4.5Å; L1761-I1788 HydrophobicContact CG-CG2 3.68Å; I1764-I1788 HydrophobicContact CB-CD1 4.02Å; I1764-I1788 HydrophobicContact CD1-CD1 4.34Å; I1764-I1788 HydrophobicContact CG1-CD1 4.16Å; I1764-I1788 HydrophobicContact CG2-CD1 4.26Å; L1784-I1788 WeakPolarHBondContact O-CG1 3.34Å; L1784-I1788 PolarHBondContact O-N 3.08Å; L1784-I1788 VanDerWaalsContact O-N 3.08Å; I1788-A1791 PolarHBondContact O-N 3.4Å; I1788-K1792 WeakPolarHBondContact O-CB 3.4Å; I1788-K1792 PolarHBondContact O-N 3.12Å |
| 1789 | Q | 86.2 | Confident | 75.5 | Confident | 93 Ų | 93 | 54.3 Ų | 54.3 | 44% | 0.435 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 171.5 | -77.1 | 176.7 | -15.9 | 0 | 0 | 112.5 | L1761 K1785 R1786 L1787 Q1793 | L1761-Q1789 HydrophobicContact CD2-CG 4.02Å; K1785-Q1789 WeakPolarHBondContact O-CB 3.38Å; K1785-Q1789 VanDerWaalsContact O-CG 3.24Å; K1785-Q1789 WeakPolarHBondContact O-CG 3.34Å; K1785-Q1789 PolarHBondContact O-N 3.08Å; K1785-Q1789 VanDerWaalsContact O-N 3.11Å; R1786-Q1789 PolarHBondContact O-N 3.49Å; L1787-Q1789 VanDerWaalsContact C-N 3.32Å; L1787-Q1789 PolarHBondContact O-N 2.82Å; Q1789-Q1793 WeakPolarHBondContact O-CG 3.37Å; Q1789-Q1793 PolarHBondContact O-N 3.03Å; Q1789-Q1793 VanDerWaalsContact O-N 3.08Å |
| 1790 | T | 82.2 | Confident | 74 | Confident | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.043 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.1 | -38.7 | 175.2 | 43.4 | 0 | 0 | 0 | 0 | 113 | R1786 L1787 K1792 Q1793 L1794 | R1786-T1790 PolarHBondContact O-N 2.65Å; R1786-T1790 PolarHBondContact O-OG1 3.03Å; R1786-T1790 VanDerWaalsContact O-OG1 3.14Å; L1787-T1790 WeakPolarHBondContact CA-OG1 3.44Å; L1787-T1790 PolarHBondContact O-N 3.03Å; L1787-T1790 VanDerWaalsContact O-N 3.13Å; L1787-T1790 PolarHBondContact O-OG1 2.94Å; T1790-K1792 PolarHBondContact O-N 3.35Å; T1790-Q1793 PolarHBondContact O-N 3.38Å; T1790-L1794 WeakPolarHBondContact O-CB 3.47Å; T1790-L1794 VanDerWaalsContact O-CG 3.26Å; T1790-L1794 WeakPolarHBondContact O-CG 3.42Å; T1790-L1794 PolarHBondContact O-N 2.84Å |
| 1791 | A | 82.1 | Confident | 72.2 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1700 Y1757 L1787 I1788 Q1793 L1794 S1795 | L1700-A1791 HydrophobicContact CD1-CB 3.93Å; L1700-A1791 HydrophobicContact CD2-CB 4.27Å; L1700-A1791 HydrophobicContact CG-CB 4.35Å; Y1757-A1791 HydrophobicContact CD1-CB 3.86Å; Y1757-A1791 HydrophobicContact CE1-CB 3.44Å; Y1757-A1791 VanDerWaalsContact CE1-CB 3.44Å; L1787-A1791 PolarHBondContact O-N 3.21Å; I1788-A1791 PolarHBondContact O-N 3.4Å; A1791-Q1793 VanDerWaalsContact C-N 3.32Å; A1791-Q1793 PolarHBondContact O-N 3.38Å; A1791-L1794 PolarHBondContact O-N 2.89Å; A1791-S1795 PolarHBondContact O-N 3.19Å; A1791-S1795 VanDerWaalsContact O-N 3.12Å |
| 1792 | K | 84 | Confident | 70 | Confident | 102 Ų | 102 | 68.6 Ų | 68.6 | 44% | 0.443 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.4 | -35.4 | 172.8 | -173 | 170.6 | 179.1 | 172 | 0 | 113.4 | Y1757 L1761 I1788 T1790 | Y1757-K1792 HydrophobicContact CG-CB 4.36Å; L1761-K1792 HydrophobicContact CD1-CD 3.76Å; I1788-K1792 WeakPolarHBondContact O-CB 3.4Å; I1788-K1792 PolarHBondContact O-N 3.12Å; T1790-K1792 PolarHBondContact O-N 3.35Å |
| 1793 | Q | 80.7 | Confident | 67.8 | Low | 143 Ų | 143 | 71.7 Ų | 71.7 | 67% | 0.668 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -76 | -22.9 | 177.1 | -77.4 | 179.6 | -20.7 | 0 | 0 | 113.7 | Q1789 T1790 A1791 | Q1789-Q1793 WeakPolarHBondContact O-CG 3.37Å; Q1789-Q1793 PolarHBondContact O-N 3.03Å; Q1789-Q1793 VanDerWaalsContact O-N 3.08Å; T1790-Q1793 PolarHBondContact O-N 3.38Å; A1791-Q1793 VanDerWaalsContact C-N 3.32Å; A1791-Q1793 PolarHBondContact O-N 3.38Å |
| 1794 | L | 73.2 | Confident | 65.3 | Low | 25 Ų | 25 | 77.4 Ų | 77.4 | 13% | 0.131 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -104.5 | 1.6 | -175.5 | -64.4 | 171.6 | 0 | 0 | 0 | 113.7 | C1704 V1707 T1790 A1791 I1796 | C1704-L1794 HydrophobicContact CB-CD1 4.42Å; V1707-L1794 HydrophobicContact CG1-CB 4.24Å; V1707-L1794 HydrophobicContact CG1-CD2 4.16Å; T1790-L1794 WeakPolarHBondContact O-CB 3.47Å; T1790-L1794 VanDerWaalsContact O-CG 3.26Å; T1790-L1794 WeakPolarHBondContact O-CG 3.42Å; T1790-L1794 PolarHBondContact O-N 2.84Å; A1791-L1794 PolarHBondContact O-N 2.89Å; L1794-I1796 HydrophobicContact CB-CD1 3.8Å; L1794-I1796 HydrophobicContact CB-CG1 3.91Å; L1794-I1796 HydrophobicContact CD1-CD1 4.26Å; L1794-I1796 PolarHBondContact O-N 3.37Å |
| 1795 | S | 73.9 | Confident | 62.6 | Low | 110 Ų | 110 | 83.1 Ų | 83.1 | 77% | 0.769 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.4 | 58.6 | 178.5 | 58.5 | 0 | 0 | 0 | 0 | 113.2 | A1791 | A1791-S1795 PolarHBondContact O-N 3.19Å; A1791-S1795 VanDerWaalsContact O-N 3.12Å |
| 1796 | I | 64.4 | Low | 59.9 | Low | 10 Ų | 10 | 91.4 Ų | 91.4 | 5% | 0.051 | 50% | 0.501 | C | S | . | . | trans | -90.5 | 137.6 | -174.9 | -66.6 | 167.9 | 0 | 0 | 0 | 110.4 | N1703 C1704 V1707 Y1757 L1794 | N1703-I1796 HydrophobicContact CB-CG2 3.75Å; C1704-I1796 HydrophobicContact CB-CD1 4.18Å; C1704-I1796 WeakPolarHBondContact SG-CD1 3.31Å; V1707-I1796 HydrophobicContact CG2-CG1 4.34Å; Y1757-I1796 WeakPolarHBondContact CE2-O 3.37Å; Y1757-I1796 PolarHBondContact OH-O 3.18Å; L1794-I1796 HydrophobicContact CB-CD1 3.8Å; L1794-I1796 HydrophobicContact CB-CG1 3.91Å; L1794-I1796 HydrophobicContact CD1-CD1 4.26Å; L1794-I1796 PolarHBondContact O-N 3.37Å | ||
| 1797 | E | 60.3 | Low | 58.6 | Low | 143 Ų | 143 | 90.8 Ų | 90.8 | 67% | 0.668 | 51% | 0.506 | S | S | * | . | trans | -108.8 | 130.3 | 174 | -63.3 | -179.8 | 150.6 | 0 | 0 | 110.8 | N1755 N1799 | N1755-E1797 WeakPolarHBondContact OD1-CA 3.42Å; E1797-N1799 PolarHBondContact O-N 3.31Å | ||
| 1798 | M | 56.1 | Low | 57.2 | Low | 31 Ų | 31 | 95.5 Ų | 95.5 | 15% | 0.153 | 53% | 0.533 | C | S | . | . | trans | -80.8 | 93.2 | 174.4 | -70.8 | -69.2 | -76.1 | 0 | 0 | 110.6 | V1696 D1699 L1700 N1755 T1800 | V1696-M1798 HydrophobicContact CG1-CE 4.31Å; D1699-M1798 HydrophobicContact CB-CE 4.15Å; L1700-M1798 HydrophobicContact CD1-SD 4.41Å; N1755-M1798 PolarHBondContact OD1-N 2.7Å; M1798-T1800 PolarHBondContact O-N 2.93Å; M1798-T1800 VanDerWaalsContact O-N 3.14Å | ||
| 1799 | N | 45.4 | Very low | 55.6 | Low | 136 Ų | 136 | 100.8 Ų | 100.8 | 73% | 0.727 | 56% | 0.563 | S | S | * | * | trans | -69.6 | 105.4 | 178.6 | -82.2 | -29.6 | 0 | 0 | 0 | 112.4 | E1797 T1801 | E1797-N1799 PolarHBondContact O-N 3.31Å; N1799-T1801 PolarHBondContact O-N 3Å; N1799-T1801 VanDerWaalsContact O-N 3.11Å | ||
| 1800 | T | 33.5 | Very low | 53.8 | Low | 128 Ų | 128 | 101.3 Ų | 101.3 | 79% | 0.785 | 57% | 0.57 | S | S | * | * | trans | -74.6 | 91.7 | 176.5 | 54.4 | 0 | 0 | 0 | 0 | 112.1 | M1798 T1802 | M1798-T1800 PolarHBondContact O-N 2.93Å; M1798-T1800 VanDerWaalsContact O-N 3.14Å; T1800-T1802 PolarHBondContact O-N 3.48Å | ||
| 1801 | T | 34.9 | Very low | 52.1 | Low | 128 Ų | 128 | 107.2 Ų | 107.2 | 79% | 0.785 | 60% | 0.603 | S | S | * | * | trans | -94.7 | 88 | 173.7 | 43 | 0 | 0 | 0 | 0 | 112.5 | N1799 T1803 | N1799-T1801 PolarHBondContact O-N 3Å; N1799-T1801 VanDerWaalsContact O-N 3.11Å; T1801-T1803 PolarHBondContact O-N 3.39Å | ||
| 1802 | T | 27.9 | Very low | 50.1 | Low | 132 Ų | 132 | 114.3 Ų | 114.3 | 81% | 0.81 | 64% | 0.643 | S | S | * | * | trans | -70.8 | 116.5 | 167.3 | 50.2 | 0 | 0 | 0 | 0 | 111.1 | T1800 | T1800-T1802 PolarHBondContact O-N 3.48Š| ||
| 1803 | T | 32.3 | Very low | 47.6 | Very low | 139 Ų | 139 | 115.2 Ų | 115.2 | 85% | 0.853 | 66% | 0.658 | S | S | * | * | trans | -135.1 | 139.9 | 162.8 | 41.3 | 0 | 0 | 0 | 0 | 110.1 | T1801 | T1801-T1803 PolarHBondContact O-N 3.39Š| ||
| 1804 | T | 28 | Very low | 45.1 | Very low | 123 Ų | 123 | 113.1 Ų | 113.1 | 76% | 0.755 | 66% | 0.657 | S | S | * | * | trans | -110.1 | 154.8 | -167.3 | 50 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1805 | T | 26.4 | Very low | 42.7 | Very low | 125 Ų | 125 | 120.4 Ų | 120.4 | 77% | 0.767 | 70% | 0.701 | S | S | * | * | trans | 52.4 | 107.6 | 152.2 | 54.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1806 | N | 29.8 | Very low | 39.9 | Very low | 240 Ų | 240 | 121.4 Ų | 121.4 | 100% | 1.283 | 69% | 0.694 | S | S | * | * | -150.7 | 0 | 107.8 | -121.8 | 14.3 | 0 | 0 | 0 | 110.2 |
Retrieved 1,806 of 1,806 residues in 1814.5 ms
(Link to these results)