| 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 | 42.4 | Very low | 75.8 | Confident | 197 Ų | 197 | 93.4 Ų | 93.4 | 97% | 0.97 | 45% | 0.448 | S | S | * | . | 0 | -90.9 | 0 | -61 | -49.3 | -100.7 | 0 | 0 | 111.7 | Y3 L4 S5 | M1-Y3 PolarHBondContact O-N 3.32Å; M1-L4 WeakPolarHBondContact O-CB 3.4Å; M1-L4 PolarHBondContact O-N 3.35Å; M1-S5 PolarHBondContact O-N 3Å | |||
| 2 | G | 68.8 | Low | 76.9 | Confident | 45 Ų | 45 | 89.6 Ų | 89.6 | 46% | 0.464 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -39.6 | -51.5 | -166.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | L4 S5 D6 | G2-L4 VanDerWaalsContact C-N 3.28Å; G2-L4 PolarHBondContact O-N 3.2Å; G2-S5 WeakPolarHBondContact O-CA 3.43Å; G2-S5 VanDerWaalsContact O-CB 3.3Å; G2-S5 WeakPolarHBondContact O-CB 3.41Å; G2-S5 PolarHBondContact O-N 3.44Å; G2-D6 PolarHBondContact O-N 2.97Å |
| 3 | Y | 70.9 | Confident | 77.8 | Confident | 103 Ų | 103 | 92 Ų | 92 | 40% | 0.404 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -53.4 | -40.2 | 177.6 | -178.5 | -78.8 | 0 | 0 | 0 | 113.6 | M1 R7 S217 L218 | M1-Y3 PolarHBondContact O-N 3.32Å; Y3-R7 HydrophobicContact CE1-CB 4.28Å; Y3-R7 VanDerWaalsContact O-CB 3.29Å; Y3-R7 WeakPolarHBondContact O-CB 3.41Å; Y3-R7 PolarHBondContact O-N 3.32Å; Y3-S217 PolarHBondContact OH-O 3.19Å; Y3-L218 HydrophobicContact CD1-CD1 4.38Å; Y3-L218 HydrophobicContact CE1-CD1 3.38Å; Y3-L218 HydrophobicContact CE1-CG 3.89Å; Y3-L218 WeakPolarHBondContact OH-CB 3.45Å; Y3-L218 WeakPolarHBondContact OH-CD1 3.5Å; Y3-L218 VanDerWaalsContact OH-CG 3.3Å; Y3-L218 WeakPolarHBondContact OH-CG 3.42Å |
| 4 | L | 70.1 | Confident | 78.4 | Confident | 91 Ų | 91 | 87.7 Ų | 87.7 | 48% | 0.476 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69 | -39.7 | 176.5 | -73 | 169.7 | 0 | 0 | 0 | 111.3 | M1 G2 D6 R7 R8 | M1-L4 WeakPolarHBondContact O-CB 3.4Å; M1-L4 PolarHBondContact O-N 3.35Å; G2-L4 VanDerWaalsContact C-N 3.28Å; G2-L4 PolarHBondContact O-N 3.2Å; L4-D6 VanDerWaalsContact C-N 3.34Å; L4-D6 PolarHBondContact O-N 2.91Å; L4-R7 PolarHBondContact O-N 3.02Å; L4-R8 WeakPolarHBondContact O-CB 3.37Å; L4-R8 PolarHBondContact O-N 3.27Å |
| 5 | S | 74.1 | Confident | 79.2 | Confident | 58 Ų | 58 | 81.9 Ų | 81.9 | 41% | 0.406 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 175 | -49.4 | 0 | 0 | 0 | 0 | 111.7 | M1 G2 R8 K9 | M1-S5 PolarHBondContact O-N 3Å; G2-S5 WeakPolarHBondContact O-CA 3.43Å; G2-S5 VanDerWaalsContact O-CB 3.3Å; G2-S5 WeakPolarHBondContact O-CB 3.41Å; G2-S5 PolarHBondContact O-N 3.44Å; S5-R8 PolarHBondContact O-N 3.29Å; S5-K9 WeakPolarHBondContact O-CG 3.49Å; S5-K9 PolarHBondContact O-N 3.26Å |
| 6 | D | 78.6 | Confident | 79.7 | Confident | 68 Ų | 68 | 82.6 Ų | 82.6 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -76.6 | -32.8 | 179.5 | -63.6 | -32.8 | 0 | 0 | 0 | 112.7 | G2 L4 R8 K9 R10 | G2-D6 PolarHBondContact O-N 2.97Å; L4-D6 VanDerWaalsContact C-N 3.34Å; L4-D6 PolarHBondContact O-N 2.91Å; D6-R8 VanDerWaalsContact C-N 3.34Å; D6-K9 IonicContact OD1-NZ 2.76Å; D6-K9 PolarHBondContact OD1-NZ 3.42Å; D6-R10 WeakPolarHBondContact O-CB 3.37Å; D6-R10 VanDerWaalsContact O-CG 3.26Å; D6-R10 WeakPolarHBondContact O-CG 3.47Å; D6-R10 PolarHBondContact O-N 3.48Å |
| 7 | R | 81.8 | Confident | 79.9 | Confident | 106 Ų | 106 | 83.9 Ų | 83.9 | 40% | 0.4 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 167 | 178 | 177.3 | 170.6 | -173.3 | -5.8 | 111.1 | Y3 L4 R10 L11 | Y3-R7 HydrophobicContact CE1-CB 4.28Å; Y3-R7 VanDerWaalsContact O-CB 3.29Å; Y3-R7 WeakPolarHBondContact O-CB 3.41Å; Y3-R7 PolarHBondContact O-N 3.32Å; L4-R7 PolarHBondContact O-N 3.02Å; R7-R10 PolarHBondContact O-N 3.1Å; R7-L11 HydrophobicContact CG-CD1 4.03Å; R7-L11 WeakPolarHBondContact O-CG 3.29Å; R7-L11 PolarHBondContact O-N 2.84Å |
| 8 | R | 87.4 | Confident | 80.2 | Confident | 79 Ų | 79 | 79.3 Ų | 79.3 | 30% | 0.298 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.9 | -47.7 | 178.3 | -165.9 | -178.7 | 178.2 | -165.9 | 2.3 | 111.4 | L4 S5 D6 R10 L11 I12 P31 D32 | L4-R8 WeakPolarHBondContact O-CB 3.37Å; L4-R8 PolarHBondContact O-N 3.27Å; S5-R8 PolarHBondContact O-N 3.29Å; D6-R8 VanDerWaalsContact C-N 3.34Å; R8-R10 PolarHBondContact O-N 3.02Å; R8-L11 PolarHBondContact O-N 3.29Å; R8-L11 VanDerWaalsContact O-N 3.16Å; R8-I12 HydrophobicContact CG-CD1 3.99Å; R8-I12 VanDerWaalsContact O-CG1 3.3Å; R8-I12 WeakPolarHBondContact O-CG1 3.02Å; R8-I12 PolarHBondContact O-N 2.75Å; R8-P31 HydrophobicContact CG-CB 4.5Å; R8-P31 PolarHBondContact NE-O 2.79Å; R8-P31 PolarHBondContact NH2-O 3.07Å; R8-D32 WeakPolarHBondContact CD-O 3.36Å; R8-D32 PolarHBondContact NE-O 2.76Å |
| 9 | K | 84.9 | Confident | 80.6 | Confident | 114 Ų | 114 | 76.7 Ų | 76.7 | 50% | 0.496 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -53.8 | -53.1 | 173.6 | -71.8 | 171.2 | -168.8 | 159.4 | 0 | 111.9 | S5 D6 L11 I12 E13 | S5-K9 WeakPolarHBondContact O-CG 3.49Å; S5-K9 PolarHBondContact O-N 3.26Å; D6-K9 IonicContact OD1-NZ 2.76Å; D6-K9 PolarHBondContact OD1-NZ 3.42Å; K9-L11 PolarHBondContact O-N 3.42Å; K9-I12 WeakPolarHBondContact O-CB 3.45Å; K9-I12 PolarHBondContact O-N 3.16Å; K9-I12 VanDerWaalsContact O-N 3.09Å; K9-E13 WeakPolarHBondContact O-CG 3.08Å; K9-E13 PolarHBondContact O-N 3.35Å |
| 10 | R | 86.5 | Confident | 80.6 | Confident | 148 Ų | 148 | 76.5 Ų | 76.5 | 56% | 0.558 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -58.8 | -34.3 | 178.7 | -69.5 | 171.1 | -172.2 | 177.2 | 4.3 | 112.5 | D6 R7 R8 E13 Q14 | D6-R10 WeakPolarHBondContact O-CB 3.37Å; D6-R10 VanDerWaalsContact O-CG 3.26Å; D6-R10 WeakPolarHBondContact O-CG 3.47Å; D6-R10 PolarHBondContact O-N 3.48Å; R7-R10 PolarHBondContact O-N 3.1Å; R8-R10 PolarHBondContact O-N 3.02Å; R10-E13 WeakPolarHBondContact CA-OE2 3.46Å; R10-Q14 WeakPolarHBondContact O-CG 3.43Å; R10-Q14 PolarHBondContact O-N 3Å; R10-Q14 PolarHBondContact O-NE2 2.94Å |
| 11 | L | 88.4 | Confident | 80.1 | Confident | 18 Ų | 18 | 74.2 Ų | 74.2 | 9% | 0.094 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -74 | -39.9 | 175.4 | -76.3 | 167.6 | 0 | 0 | 0 | 112.4 | R7 R8 K9 E13 Q14 V15 P31 C35 F37 | R7-L11 HydrophobicContact CG-CD1 4.03Å; R7-L11 WeakPolarHBondContact O-CG 3.29Å; R7-L11 PolarHBondContact O-N 2.84Å; R8-L11 PolarHBondContact O-N 3.29Å; R8-L11 VanDerWaalsContact O-N 3.16Å; K9-L11 PolarHBondContact O-N 3.42Å; L11-E13 VanDerWaalsContact C-N 3.34Å; L11-E13 PolarHBondContact O-N 2.99Å; L11-Q14 PolarHBondContact O-N 2.96Å; L11-V15 WeakPolarHBondContact O-CB 3.31Å; L11-V15 WeakPolarHBondContact O-CG2 3.42Å; L11-V15 PolarHBondContact O-N 2.9Å; L11-P31 HydrophobicContact CB-CB 4.45Å; L11-P31 HydrophobicContact CB-CG 3.89Å; L11-C35 HydrophobicContact CD1-CB 3.83Å; L11-F37 HydrophobicContact CD2-CE1 4.31Å |
| 12 | I | 89.2 | Confident | 81.5 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.9 | -46.2 | 173.7 | -68.7 | 162.4 | 0 | 0 | 0 | 110.1 | R8 K9 Q14 V15 L16 I30 P31 | R8-I12 HydrophobicContact CG-CD1 3.99Å; R8-I12 VanDerWaalsContact O-CG1 3.3Å; R8-I12 WeakPolarHBondContact O-CG1 3.02Å; R8-I12 PolarHBondContact O-N 2.75Å; K9-I12 WeakPolarHBondContact O-CB 3.45Å; K9-I12 PolarHBondContact O-N 3.16Å; K9-I12 VanDerWaalsContact O-N 3.09Å; I12-Q14 PolarHBondContact O-N 3.23Å; I12-V15 PolarHBondContact O-N 3.18Å; I12-L16 HydrophobicContact CG2-CD1 3.76Å; I12-L16 HydrophobicContact CG2-CG 4.27Å; I12-L16 WeakPolarHBondContact O-CB 3.4Å; I12-L16 VanDerWaalsContact O-CG 3.3Å; I12-L16 WeakPolarHBondContact O-CG 3.29Å; I12-L16 PolarHBondContact O-N 3.3Å; I12-I30 HydrophobicContact CG1-CG2 4.07Å; I12-P31 HydrophobicContact CG1-CB 4.46Å; I12-P31 HydrophobicContact CG1-CG 4.2Å |
| 13 | E | 87.8 | Confident | 81.8 | Confident | 121 Ų | 121 | 68.3 Ų | 68.3 | 57% | 0.565 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -55.1 | -47.6 | 175.8 | -70.4 | 159.5 | -172.9 | 0 | 0 | 112 | K9 R10 L11 L16 E17 | K9-E13 WeakPolarHBondContact O-CG 3.08Å; K9-E13 PolarHBondContact O-N 3.35Å; R10-E13 WeakPolarHBondContact CA-OE2 3.46Å; L11-E13 VanDerWaalsContact C-N 3.34Å; L11-E13 PolarHBondContact O-N 2.99Å; E13-L16 PolarHBondContact O-N 2.72Å; E13-E17 WeakPolarHBondContact O-CB 3.47Å; E13-E17 PolarHBondContact O-N 2.97Å |
| 14 | Q | 87 | Confident | 82 | Confident | 32 Ų | 32 | 67.5 Ų | 67.5 | 15% | 0.15 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.4 | -38 | 178.2 | -73 | 163.8 | 77.4 | 0 | 0 | 113.2 | R10 L11 I12 W18 L112 K116 | R10-Q14 WeakPolarHBondContact O-CG 3.43Å; R10-Q14 PolarHBondContact O-N 3Å; R10-Q14 PolarHBondContact O-NE2 2.94Å; L11-Q14 PolarHBondContact O-N 2.96Å; I12-Q14 PolarHBondContact O-N 3.23Å; Q14-W18 VanDerWaalsContact O-CB 3.28Å; Q14-W18 WeakPolarHBondContact O-CB 3.42Å; Q14-W18 PolarHBondContact O-N 3.32Å; Q14-L112 HydrophobicContact CB-CD1 4.28Å; Q14-L112 HydrophobicContact CB-CD2 4.3Å; Q14-L112 HydrophobicContact CB-CG 4.48Å; Q14-K116 VanDerWaalsContact NE2-NZ 3.12Å |
| 15 | V | 89.8 | Confident | 82.4 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.9 | -39.5 | 176.8 | 160.9 | 0 | 0 | 0 | 0 | 110.9 | L11 I12 W18 N19 L28 P31 F37 | L11-V15 WeakPolarHBondContact O-CB 3.31Å; L11-V15 WeakPolarHBondContact O-CG2 3.42Å; L11-V15 PolarHBondContact O-N 2.9Å; I12-V15 PolarHBondContact O-N 3.18Å; V15-W18 PolarHBondContact O-N 2.81Å; V15-N19 WeakPolarHBondContact O-CB 3.48Å; V15-N19 PolarHBondContact O-N 3.35Å; V15-N19 PolarHBondContact O-OD1 2.78Å; V15-L28 HydrophobicContact CG1-CB 4.07Å; V15-L28 HydrophobicContact CG2-CB 4.33Å; V15-L28 HydrophobicContact CG2-CD1 4.25Å; V15-P31 HydrophobicContact CG2-CG 4.16Å; V15-F37 HydrophobicContact CG2-CD2 4.32Å |
| 16 | L | 87.9 | Confident | 82.9 | Confident | 92 Ų | 92 | 62.2 Ų | 62.2 | 48% | 0.482 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 175.1 | -68.8 | 172.5 | 0 | 0 | 0 | 111.8 | I12 E13 W18 N19 S20 | I12-L16 HydrophobicContact CG2-CD1 3.76Å; I12-L16 HydrophobicContact CG2-CG 4.27Å; I12-L16 WeakPolarHBondContact O-CB 3.4Å; I12-L16 VanDerWaalsContact O-CG 3.3Å; I12-L16 WeakPolarHBondContact O-CG 3.29Å; I12-L16 PolarHBondContact O-N 3.3Å; E13-L16 PolarHBondContact O-N 2.72Å; L16-W18 PolarHBondContact O-N 2.86Å; L16-N19 PolarHBondContact O-N 3.05Å; L16-S20 VanDerWaalsContact O-CB 3.24Å; L16-S20 WeakPolarHBondContact O-CB 3.26Å; L16-S20 PolarHBondContact O-N 3.32Å; L16-S20 PolarHBondContact O-OG 2.75Å |
| 17 | E | 82.9 | Confident | 83.2 | Confident | 105 Ų | 105 | 61.3 Ų | 61.3 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.3 | -47 | 172.1 | -177.4 | -179.3 | -154.3 | 0 | 0 | 111.2 | E13 S20 S21 | E13-E17 WeakPolarHBondContact O-CB 3.47Å; E13-E17 PolarHBondContact O-N 2.97Å; E17-S20 PolarHBondContact O-N 2.63Å; E17-S20 PolarHBondContact O-OG 2.98Å; E17-S21 PolarHBondContact O-OG 3.13Å |
| 18 | W | 84.9 | Confident | 83.6 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.5 | -48.4 | 176.2 | -180 | -79.7 | 0 | 0 | 0 | 112.9 | Q14 V15 L16 S21 R22 F26 L28 Q111 L112 | Q14-W18 VanDerWaalsContact O-CB 3.28Å; Q14-W18 WeakPolarHBondContact O-CB 3.42Å; Q14-W18 PolarHBondContact O-N 3.32Å; V15-W18 PolarHBondContact O-N 2.81Å; L16-W18 PolarHBondContact O-N 2.86Å; W18-S21 PolarHBondContact O-N 3.42Å; W18-S21 PolarHBondContact O-OG 2.87Å; W18-S21 VanDerWaalsContact O-OG 3.12Å; W18-R22 VanDerWaalsContact CD2-NH1 3.26Å; W18-R22 VanDerWaalsContact CE2-NH1 3.33Å; W18-R22 VanDerWaalsContact CH2-NH1 3.3Å; W18-R22 VanDerWaalsContact CH2-NH2 3.35Å; W18-F26 PolarHBondContact NE1-O 3.42Å; W18-F26 VanDerWaalsContact NE1-O 3.12Å; W18-L28 HydrophobicContact CB-CD1 4.27Å; W18-L28 VanDerWaalsContact CD1-CG 3.46Å; W18-L28 HydrophobicContact CD2-CD1 3.99Å; W18-L28 HydrophobicContact CG-CD1 3.66Å; W18-L28 HydrophobicContact CG-CG 4.13Å; W18-Q111 HydrophobicContact CH2-CB 4.33Å; W18-Q111 HydrophobicContact CH2-CG 3.65Å; W18-Q111 HydrophobicContact CZ2-CG 4.27Å; W18-Q111 WeakPolarHBondContact CZ3-O 3.16Å; W18-L112 HydrophobicContact CB-CD1 3.97Å; W18-L112 HydrophobicContact CD2-CD1 4.15Å; W18-L112 HydrophobicContact CE3-CD1 3.88Å; W18-L112 HydrophobicContact CG-CD1 4.22Å |
| 19 | N | 88 | Confident | 83.9 | Confident | 30 Ų | 30 | 55 Ų | 55 | 16% | 0.16 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.8 | -36.9 | -178.8 | -67.5 | -5.2 | 0 | 0 | 0 | 111.5 | V15 L16 S21 R22 E27 L28 | V15-N19 WeakPolarHBondContact O-CB 3.48Å; V15-N19 PolarHBondContact O-N 3.35Å; V15-N19 PolarHBondContact O-OD1 2.78Å; L16-N19 PolarHBondContact O-N 3.05Å; N19-S21 PolarHBondContact O-N 3.38Å; N19-R22 PolarHBondContact O-N 2.64Å; N19-E27 HydrophobicContact CB-CG 4.13Å; N19-E27 VanDerWaalsContact CG-CG 3.45Å; N19-E27 VanDerWaalsContact ND2-CG 3.3Å; N19-E27 WeakPolarHBondContact ND2-CG 3.2Å; N19-L28 PolarHBondContact ND2-O 3.39Å; N19-L28 PolarHBondContact OD1-N 3.2Å |
| 20 | S | 79.9 | Confident | 84.2 | Confident | 71 Ų | 71 | 54.7 Ų | 54.7 | 50% | 0.497 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -6.6 | 176.5 | 76.5 | 0 | 0 | 0 | 0 | 114.5 | L16 E17 Q270 | L16-S20 VanDerWaalsContact O-CB 3.24Å; L16-S20 WeakPolarHBondContact O-CB 3.26Å; L16-S20 PolarHBondContact O-N 3.32Å; L16-S20 PolarHBondContact O-OG 2.75Å; E17-S20 PolarHBondContact O-N 2.63Å; E17-S20 PolarHBondContact O-OG 2.98Å; S20-Q270 PolarHBondContact O-NE2 3.2Å |
| 21 | S | 71 | Confident | 84.4 | Confident | 29 Ų | 29 | 47.7 Ų | 47.7 | 20% | 0.203 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.7 | 18.7 | -174.1 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | E17 W18 N19 S262 | E17-S21 PolarHBondContact O-OG 3.13Å; W18-S21 PolarHBondContact O-N 3.42Å; W18-S21 PolarHBondContact O-OG 2.87Å; W18-S21 VanDerWaalsContact O-OG 3.12Å; N19-S21 PolarHBondContact O-N 3.38Å; S21-S262 WeakPolarHBondContact O-CA 3.4Å; S21-S262 WeakPolarHBondContact O-CB 3.47Å |
| 22 | R | 72.3 | Confident | 84.4 | Confident | 36 Ų | 36 | 48.6 Ų | 48.6 | 14% | 0.136 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -140.4 | 159.3 | 174.4 | -76.8 | -166.5 | 171.5 | 71.7 | 0.1 | 113.3 | W18 N19 F26 T260 | W18-R22 VanDerWaalsContact CD2-NH1 3.26Å; W18-R22 VanDerWaalsContact CE2-NH1 3.33Å; W18-R22 VanDerWaalsContact CH2-NH1 3.3Å; W18-R22 VanDerWaalsContact CH2-NH2 3.35Å; N19-R22 PolarHBondContact O-N 2.64Å; R22-F26 HydrophobicContact CB-CB 4.31Å; R22-T260 PolarHBondContact NE-O 3.38Å; R22-T260 VanDerWaalsContact NE-O 3.14Å |
| 23 | L | 74.3 | Confident | 84 | Confident | 82 Ų | 82 | 54.1 Ų | 54.1 | 43% | 0.429 | 28% | 0.279 | S | S | . | . | trans | -54.2 | 140.8 | 164.3 | -64.6 | 163.3 | 0 | 0 | 0 | 109.8 | L25 F26 D263 | L23-L25 HydrophobicContact CB-CB 4.4Å; L23-L25 PolarHBondContact O-N 2.77Å; L23-F26 HydrophobicContact CB-CD2 4.45Å; L23-F26 PolarHBondContact O-N 3.32Å; L23-D263 HydrophobicContact CD2-CB 3.85Å; L23-D263 HydrophobicContact CG-CB 4.19Å | ||
| 24 | D | 75.3 | Confident | 83.8 | Confident | 86 Ų | 86 | 53.7 Ų | 53.7 | 46% | 0.46 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -49.8 | -29.2 | 177.5 | -64.5 | 1.8 | 0 | 0 | 0 | 113.2 | F26 E27 | D24-F26 PolarHBondContact O-N 3.4Å; D24-F26 VanDerWaalsContact O-N 3.12Å; D24-E27 VanDerWaalsContact O-CB 3.28Å; D24-E27 WeakPolarHBondContact O-CB 3.43Å; D24-E27 PolarHBondContact O-N 2.87Å; D24-E27 VanDerWaalsContact O-N 3.11Å |
| 25 | L | 77.9 | Confident | 83.6 | Confident | 31 Ų | 31 | 52.5 Ų | 52.5 | 16% | 0.162 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -54.8 | -26.3 | 173.3 | -157.3 | 69.5 | 0 | 0 | 0 | 114.7 | L23 V40 T1976 Y1977 | L23-L25 HydrophobicContact CB-CB 4.4Å; L23-L25 PolarHBondContact O-N 2.77Å; L25-V40 WeakPolarHBondContact O-CB 3.42Å; L25-T1976 WeakPolarHBondContact CD1-O 3Å; L25-Y1977 HydrophobicContact CD1-CD2 3.76Å; L25-Y1977 HydrophobicContact CD1-CE1 4.16Å; L25-Y1977 HydrophobicContact CD1-CE2 3.35Å; L25-Y1977 HydrophobicContact CD1-CG 4.31Å; L25-Y1977 HydrophobicContact CD2-CE1 4.12Å; L25-Y1977 HydrophobicContact CG-CE2 4.21Å |
| 26 | F | 84.6 | Confident | 83.5 | Confident | 8 Ų | 8 | 55.7 Ų | 55.7 | 4% | 0.035 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -117.2 | 19.3 | -178.4 | -62.2 | -69.2 | 0 | 0 | 0 | 112.5 | W18 R22 L23 D24 V40 R42 | W18-F26 PolarHBondContact NE1-O 3.42Å; W18-F26 VanDerWaalsContact NE1-O 3.12Å; R22-F26 HydrophobicContact CB-CB 4.31Å; L23-F26 HydrophobicContact CB-CD2 4.45Å; L23-F26 PolarHBondContact O-N 3.32Å; D24-F26 PolarHBondContact O-N 3.4Å; D24-F26 VanDerWaalsContact O-N 3.12Å; F26-V40 HydrophobicContact CD1-CB 4.47Å; F26-V40 HydrophobicContact CD1-CG1 4.44Å; F26-V40 WeakPolarHBondContact CD1-O 3.23Å; F26-V40 HydrophobicContact CE1-CG1 4.37Å; F26-R42 HydrophobicContact CE1-CB 4.28Å |
| 27 | E | 85.4 | Confident | 83.8 | Confident | 49 Ų | 49 | 51.4 Ų | 51.4 | 23% | 0.229 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -62 | 137.7 | 171.7 | -162.7 | -162.2 | 154.5 | 0 | 0 | 110.8 | N19 D24 R1973 | N19-E27 HydrophobicContact CB-CG 4.13Å; N19-E27 VanDerWaalsContact CG-CG 3.45Å; N19-E27 VanDerWaalsContact ND2-CG 3.3Å; N19-E27 WeakPolarHBondContact ND2-CG 3.2Å; D24-E27 VanDerWaalsContact O-CB 3.28Å; D24-E27 WeakPolarHBondContact O-CB 3.43Å; D24-E27 PolarHBondContact O-N 2.87Å; D24-E27 VanDerWaalsContact O-N 3.11Å; E27-R1973 IonicContact OE1-CZ 3.36Å; E27-R1973 IonicContact OE1-NE 3.16Å; E27-R1973 IonicContact OE1-NH2 2.58Å; E27-R1973 PolarHBondContact OE1-NH2 3.22Å; E27-R1973 IonicContact OE2-CZ 3.7Å; E27-R1973 IonicContact OE2-NE 2.91Å; E27-R1973 PolarHBondContact OE2-NE 2.97Å; E27-R1973 IonicContact OE2-NH2 3.97Å; E27-R1973 PolarHBondContact OE2-NH2 3.26Å |
| 28 | L | 91 | Very high | 84.2 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -96.8 | 140.7 | 170.7 | -54.2 | 179.4 | 0 | 0 | 0 | 109.8 | V15 W18 N19 F37 N38 L108 L112 | V15-L28 HydrophobicContact CG1-CB 4.07Å; V15-L28 HydrophobicContact CG2-CB 4.33Å; V15-L28 HydrophobicContact CG2-CD1 4.25Å; W18-L28 HydrophobicContact CB-CD1 4.27Å; W18-L28 VanDerWaalsContact CD1-CG 3.46Å; W18-L28 HydrophobicContact CD2-CD1 3.99Å; W18-L28 HydrophobicContact CG-CD1 3.66Å; W18-L28 HydrophobicContact CG-CG 4.13Å; N19-L28 PolarHBondContact ND2-O 3.39Å; N19-L28 PolarHBondContact OD1-N 3.2Å; L28-F37 HydrophobicContact CB-CD2 4.4Å; L28-F37 HydrophobicContact CD1-CD2 4.36Å; L28-F37 HydrophobicContact CD1-CE2 4.12Å; L28-N38 WeakPolarHBondContact CA-O 3.49Å; L28-L108 HydrophobicContact CD2-CD1 3.87Å; L28-L108 HydrophobicContact CD2-CG 4.49Å; L28-L112 HydrophobicContact CD1-CD1 3.94Å |
| 29 | T | 92.6 | Very high | 84.5 | Confident | 50 Ų | 50 | 49.5 Ų | 49.5 | 31% | 0.307 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 149.6 | 173.7 | 65.3 | 0 | 0 | 0 | 0 | 111.1 | F37 N38 | T29-F37 VanDerWaalsContact O-CB 3.28Å; T29-F37 WeakPolarHBondContact O-CB 3.36Å; T29-F37 WeakPolarHBondContact OG1-CA 3.46Å; T29-N38 HydrophobicContact CG2-CB 4.24Å; T29-N38 PolarHBondContact N-O 3.13Å; T29-N38 PolarHBondContact OG1-N 3.48Å |
| 30 | I | 91.7 | Very high | 84.6 | Confident | 107 Ų | 107 | 49.3 Ų | 49.3 | 55% | 0.549 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 134.4 | 172.6 | -58.6 | 177.8 | 0 | 0 | 0 | 109.2 | I12 D32 | I12-I30 HydrophobicContact CG1-CG2 4.07Å; I30-D32 PolarHBondContact O-N 3.2Å |
| 31 | P | 89.8 | Confident | 85.1 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -56.5 | 129.6 | 178.8 | -28.5 | 34.3 | 0 | 0 | 0 | 114.6 | R8 L11 I12 V15 E36 F37 | R8-P31 HydrophobicContact CG-CB 4.5Å; R8-P31 PolarHBondContact NE-O 2.79Å; R8-P31 PolarHBondContact NH2-O 3.07Å; L11-P31 HydrophobicContact CB-CB 4.45Å; L11-P31 HydrophobicContact CB-CG 3.89Å; I12-P31 HydrophobicContact CG1-CB 4.46Å; I12-P31 HydrophobicContact CG1-CG 4.2Å; V15-P31 HydrophobicContact CG2-CG 4.16Å; P31-E36 WeakPolarHBondContact CA-O 3.27Å; P31-F37 HydrophobicContact CG-CB 4.37Å; P31-F37 HydrophobicContact CG-CD1 4.17Å; P31-F37 HydrophobicContact CG-CG 4.5Å |
| 32 | D | 88.4 | Confident | 86 | Confident | 37 Ų | 37 | 48 Ų | 48 | 20% | 0.198 | 24% | 0.236 | C | C | . | . | trans | -72.1 | -173.2 | 176.2 | 95.2 | -36.4 | 0 | 0 | 0 | 112.2 | R8 I30 K34 C35 E36 N873 | R8-D32 WeakPolarHBondContact CD-O 3.36Å; R8-D32 PolarHBondContact NE-O 2.76Å; I30-D32 PolarHBondContact O-N 3.2Å; D32-K34 VanDerWaalsContact C-N 3.31Å; D32-K34 PolarHBondContact O-N 3.19Å; D32-K34 VanDerWaalsContact OD1-CA 3.3Å; D32-K34 WeakPolarHBondContact OD1-CA 3.16Å; D32-K34 VanDerWaalsContact OD1-CB 3.29Å; D32-K34 WeakPolarHBondContact OD1-CB 3.31Å; D32-K34 PolarHBondContact OD1-N 3.23Å; D32-K34 PolarHBondContact OD2-N 3.28Å; D32-C35 WeakPolarHBondContact O-CA 3.28Å; D32-C35 PolarHBondContact O-N 3.33Å; D32-C35 PolarHBondContact OD1-N 3.02Å; D32-E36 PolarHBondContact N-O 3.41Å; D32-E36 PolarHBondContact OD1-N 3.41Å; D32-N873 PolarHBondContact OD2-ND2 2.66Å | ||
| 33 | E | 81.9 | Confident | 87 | Confident | 164 Ų | 164 | 46.3 Ų | 46.3 | 77% | 0.766 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -28.9 | 179.3 | -52.5 | -160.6 | 143.1 | 0 | 0 | 113.6 | C35 | E33-C35 PolarHBondContact O-N 2.91Š|
| 34 | K | 82.4 | Confident | 87.9 | Confident | 112 Ų | 112 | 43.3 Ų | 43.3 | 49% | 0.487 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -4 | 172.1 | -55.2 | 165.4 | -174.2 | 164.6 | 0 | 112.1 | D32 E36 I872 N873 | D32-K34 VanDerWaalsContact C-N 3.31Å; D32-K34 PolarHBondContact O-N 3.19Å; D32-K34 VanDerWaalsContact OD1-CA 3.3Å; D32-K34 WeakPolarHBondContact OD1-CA 3.16Å; D32-K34 VanDerWaalsContact OD1-CB 3.29Å; D32-K34 WeakPolarHBondContact OD1-CB 3.31Å; D32-K34 PolarHBondContact OD1-N 3.23Å; D32-K34 PolarHBondContact OD2-N 3.28Å; K34-E36 VanDerWaalsContact C-N 3.29Å; K34-E36 HydrophobicContact CB-CG 3.98Å; K34-E36 VanDerWaalsContact CD-OE2 3.29Å; K34-E36 WeakPolarHBondContact CD-OE2 3.37Å; K34-I872 PolarHBondContact NZ-O 2.68Å; K34-N873 PolarHBondContact NZ-ND2 3.4Å; K34-N873 PolarHBondContact NZ-OD1 3.02Å |
| 35 | C | 84.2 | Confident | 88.5 | Confident | 7 Ų | 7 | 39.8 Ų | 39.8 | 5% | 0.047 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 66 | 23.9 | -169.3 | -58.1 | 0 | 0 | 0 | 0 | 114.1 | L11 D32 E33 | L11-C35 HydrophobicContact CD1-CB 3.83Å; D32-C35 WeakPolarHBondContact O-CA 3.28Å; D32-C35 PolarHBondContact O-N 3.33Å; D32-C35 PolarHBondContact OD1-N 3.02Å; E33-C35 PolarHBondContact O-N 2.91Å |
| 36 | E | 87.8 | Confident | 88.9 | Confident | 68 Ų | 68 | 40.5 Ų | 40.5 | 32% | 0.318 | 20% | 0.197 | S | C | . | . | trans | -86.1 | 143.7 | 175 | -62.4 | -170.8 | 102.2 | 0 | 0 | 111.4 | P31 D32 K34 S61 S62 | P31-E36 WeakPolarHBondContact CA-O 3.27Å; D32-E36 PolarHBondContact N-O 3.41Å; D32-E36 PolarHBondContact OD1-N 3.41Å; K34-E36 VanDerWaalsContact C-N 3.29Å; K34-E36 HydrophobicContact CB-CG 3.98Å; K34-E36 VanDerWaalsContact CD-OE2 3.29Å; K34-E36 WeakPolarHBondContact CD-OE2 3.37Å; E36-S61 WeakPolarHBondContact CA-OG 3.4Å; E36-S62 WeakPolarHBondContact OE1-CB 3.48Å; E36-S62 PolarHBondContact OE1-OG 3.06Å | ||
| 37 | F | 92.7 | Very high | 88.3 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | trans | -148.8 | 152.2 | 176 | 59.1 | -83.2 | 0 | 0 | 0 | 111.2 | L11 V15 L28 T29 P31 S61 L108 L109 L112 | L11-F37 HydrophobicContact CD2-CE1 4.31Å; V15-F37 HydrophobicContact CG2-CD2 4.32Å; L28-F37 HydrophobicContact CB-CD2 4.4Å; L28-F37 HydrophobicContact CD1-CD2 4.36Å; L28-F37 HydrophobicContact CD1-CE2 4.12Å; T29-F37 VanDerWaalsContact O-CB 3.28Å; T29-F37 WeakPolarHBondContact O-CB 3.36Å; T29-F37 WeakPolarHBondContact OG1-CA 3.46Å; P31-F37 HydrophobicContact CG-CB 4.37Å; P31-F37 HydrophobicContact CG-CD1 4.17Å; P31-F37 HydrophobicContact CG-CG 4.5Å; F37-S61 PolarHBondContact N-OG 2.83Å; F37-S61 WeakPolarHBondContact O-CB 3.45Å; F37-S61 PolarHBondContact O-N 2.67Å; F37-S61 PolarHBondContact O-OG 3.33Å; F37-L108 HydrophobicContact CD2-CD2 3.64Å; F37-L108 HydrophobicContact CE2-CD2 3.55Å; F37-L108 HydrophobicContact CE2-CG 3.98Å; F37-L108 HydrophobicContact CZ-CD2 4.49Å; F37-L108 WeakPolarHBondContact O-CD2 3.2Å; F37-L109 HydrophobicContact CE1-CD2 4.02Å; F37-L109 HydrophobicContact CZ-CD2 3.74Å; F37-L109 HydrophobicContact CZ-CG 4.47Å; F37-L112 HydrophobicContact CE1-CD2 4.48Å; F37-L112 HydrophobicContact CE2-CD2 4.05Å; F37-L112 HydrophobicContact CZ-CD2 3.62Å | ||
| 38 | N | 92.5 | Very high | 87.5 | Confident | 66 Ų | 66 | 46 Ų | 46 | 35% | 0.353 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 151 | -177.2 | -67 | -74.6 | 0 | 0 | 0 | 110.9 | L28 T29 R58 V59 S60 | L28-N38 WeakPolarHBondContact CA-O 3.49Å; T29-N38 HydrophobicContact CG2-CB 4.24Å; T29-N38 PolarHBondContact N-O 3.13Å; T29-N38 PolarHBondContact OG1-N 3.48Å; N38-R58 HydrophobicContact CB-CG 4.48Å; N38-V59 WeakPolarHBondContact CA-O 3.29Å; N38-S60 WeakPolarHBondContact OD1-CA 3.14Å; N38-S60 WeakPolarHBondContact OD1-CB 3.47Å |
| 39 | G | 90.3 | Very high | 86.2 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 159.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | R58 V59 | G39-R58 CarbonylContact O-C 3.49Å; G39-R58 WeakPolarHBondContact O-CA 3.37Å; G39-V59 PolarHBondContact N-O 3.35Å; G39-V59 PolarHBondContact O-N 3.09Å |
| 40 | V | 90.5 | Very high | 85.1 | Confident | 26 Ų | 26 | 56 Ų | 56 | 16% | 0.158 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 127.1 | 169.2 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | L25 F26 C56 | L25-V40 WeakPolarHBondContact O-CB 3.42Å; F26-V40 HydrophobicContact CD1-CB 4.47Å; F26-V40 HydrophobicContact CD1-CG1 4.44Å; F26-V40 WeakPolarHBondContact CD1-O 3.23Å; F26-V40 HydrophobicContact CE1-CG1 4.37Å; V40-C56 HydrophobicContact CG1-CB 3.89Å |
| 41 | M | 91 | Very high | 83.9 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 139.3 | 177.4 | -66.2 | -169.1 | 68.6 | 0 | 0 | 110.4 | F43 C56 I57 V59 P107 L108 Q111 F123 | M41-F43 HydrophobicContact CB-CD2 4.13Å; M41-F43 HydrophobicContact CB-CE2 3.44Å; M41-F43 VanDerWaalsContact CB-CE2 3.44Å; M41-F43 HydrophobicContact CB-CZ 4.06Å; M41-F43 HydrophobicContact CE-CE1 4.4Å; M41-F43 HydrophobicContact CE-CE2 4.28Å; M41-F43 HydrophobicContact CE-CZ 3.71Å; M41-F43 HydrophobicContact CG-CE2 4.42Å; M41-F43 HydrophobicContact SD-CE2 4.24Å; M41-F43 HydrophobicContact SD-CZ 3.99Å; M41-C56 VanDerWaalsContact O-CA 3.28Å; M41-C56 WeakPolarHBondContact O-CA 3.46Å; M41-I57 PolarHBondContact N-O 3.32Å; M41-I57 PolarHBondContact O-N 3.02Å; M41-V59 HydrophobicContact CB-CG2 3.99Å; M41-V59 HydrophobicContact CG-CB 4.06Å; M41-V59 HydrophobicContact CG-CG2 3.9Å; M41-V59 HydrophobicContact SD-CB 3.69Å; M41-V59 HydrophobicContact SD-CG1 3.86Å; M41-V59 HydrophobicContact SD-CG2 3.71Å; M41-P107 HydrophobicContact CE-CB 3.67Å; M41-P107 WeakPolarHBondContact CE-O 3.5Å; M41-P107 HydrophobicContact SD-CB 4Å; M41-L108 HydrophobicContact CG-CD1 3.6Å; M41-L108 HydrophobicContact SD-CB 3.93Å; M41-L108 HydrophobicContact SD-CD1 3.71Å; M41-L108 HydrophobicContact SD-CG 4.46Å; M41-Q111 HydrophobicContact CE-CB 4.1Å; M41-Q111 HydrophobicContact CE-CG 4.49Å; M41-F123 HydrophobicContact CE-CD2 3.6Å; M41-F123 HydrophobicContact CE-CE2 3.23Å; M41-F123 HydrophobicContact CE-CZ 4.05Å |
| 42 | R | 90.4 | Very high | 83.2 | Confident | 73 Ų | 73 | 59.1 Ų | 59.1 | 28% | 0.275 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 120.8 | 175.1 | -173.6 | -175.2 | -68.1 | -80.9 | 6.6 | 110.1 | F26 F44 T54 T260 | F26-R42 HydrophobicContact CE1-CB 4.28Å; R42-F44 HydrophobicContact CG-CE2 4.04Å; R42-F44 HydrophobicContact CG-CZ 4.25Å; R42-T54 HydrophobicContact CG-CG2 3.48Å; R42-T54 VanDerWaalsContact CG-CG2 3.48Å; R42-T260 HydrophobicContact CB-CG2 3.81Å; R42-T260 HydrophobicContact CG-CG2 4.34Å |
| 43 | F | 92.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 152.2 | 176 | -66 | -91.2 | 0 | 0 | 0 | 110.8 | M41 T54 K55 I57 V59 V68 L72 F76 I90 P107 F123 | M41-F43 HydrophobicContact CB-CD2 4.13Å; M41-F43 HydrophobicContact CB-CE2 3.44Å; M41-F43 VanDerWaalsContact CB-CE2 3.44Å; M41-F43 HydrophobicContact CB-CZ 4.06Å; M41-F43 HydrophobicContact CE-CE1 4.4Å; M41-F43 HydrophobicContact CE-CE2 4.28Å; M41-F43 HydrophobicContact CE-CZ 3.71Å; M41-F43 HydrophobicContact CG-CE2 4.42Å; M41-F43 HydrophobicContact SD-CE2 4.24Å; M41-F43 HydrophobicContact SD-CZ 3.99Å; F43-T54 WeakPolarHBondContact O-CA 3.32Å; F43-T54 WeakPolarHBondContact O-CG2 3.45Å; F43-K55 PolarHBondContact N-O 2.8Å; F43-K55 PolarHBondContact O-N 2.9Å; F43-I57 HydrophobicContact CD2-CD1 3.97Å; F43-I57 HydrophobicContact CD2-CG1 3.73Å; F43-I57 HydrophobicContact CE2-CD1 3.74Å; F43-I57 HydrophobicContact CE2-CG1 3.68Å; F43-V59 HydrophobicContact CE2-CG2 4.12Å; F43-V68 HydrophobicContact CE1-CG1 4.08Å; F43-V68 HydrophobicContact CE2-CG1 4.08Å; F43-V68 HydrophobicContact CZ-CG1 3.6Å; F43-L72 HydrophobicContact CB-CD1 3.93Å; F43-L72 HydrophobicContact CB-CD2 3.74Å; F43-L72 HydrophobicContact CD1-CD1 3.47Å; F43-L72 VanDerWaalsContact CD1-CD1 3.47Å; F43-L72 HydrophobicContact CD2-CD1 3.99Å; F43-L72 HydrophobicContact CD2-CD2 3.86Å; F43-L72 HydrophobicContact CD2-CG 4.47Å; F43-L72 HydrophobicContact CE1-CD1 3.9Å; F43-L72 HydrophobicContact CE2-CD1 4.34Å; F43-L72 HydrophobicContact CG-CD1 3.53Å; F43-L72 HydrophobicContact CG-CD2 3.85Å; F43-L72 HydrophobicContact CG-CG 4.34Å; F43-L72 HydrophobicContact CZ-CD1 4.32Å; F43-F76 HydrophobicContact CB-CE2 4.46Å; F43-I90 HydrophobicContact CD1-CG2 4.45Å; F43-I90 HydrophobicContact CE1-CD1 4.16Å; F43-I90 HydrophobicContact CE1-CG2 4.2Å; F43-P107 HydrophobicContact CZ-CB 4.2Å; F43-F123 HydrophobicContact CD1-CB 3.37Å; F43-F123 HydrophobicContact CD1-CG 4.2Å; F43-F123 HydrophobicContact CE1-CB 3.56Å; F43-F123 HydrophobicContact CE1-CD2 4.12Å; F43-F123 AromaticContact CE1-CG 3.89Å; F43-F123 HydrophobicContact CE1-CG 3.89Å; F43-F123 HydrophobicContact CG-CB 4.35Å |
| 44 | F | 92 | Very high | 83.2 | Confident | 19 Ų | 19 | 58.8 Ų | 58.8 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 128 | 178.6 | -61.5 | -102.9 | 0 | 0 | 0 | 109.8 | R42 F52 R53 T54 K122 F123 V124 L125 | R42-F44 HydrophobicContact CG-CE2 4.04Å; R42-F44 HydrophobicContact CG-CZ 4.25Å; F44-F52 HydrophobicContact CB-CD1 4.35Å; F44-R53 CarbonylContact C-O 3.51Å; F44-R53 WeakPolarHBondContact CA-O 3.48Å; F44-T54 HydrophobicContact CD1-CG2 4.19Å; F44-T54 WeakPolarHBondContact CD1-OG1 3.4Å; F44-T54 HydrophobicContact CE1-CG2 4.02Å; F44-T54 VanDerWaalsContact CE1-OG1 3.31Å; F44-T54 WeakPolarHBondContact CE1-OG1 3.22Å; F44-T54 HydrophobicContact CZ-CG2 4.29Å; F44-K122 HydrophobicContact CD2-CB 4.01Å; F44-K122 HydrophobicContact CE2-CB 3.78Å; F44-F123 PolarHBondContact N-O 3.37Å; F44-V124 HydrophobicContact CB-CG2 4.39Å; F44-V124 CarbonylContact O-C 3.35Å; F44-V124 WeakPolarHBondContact O-CA 3.25Å; F44-L125 PolarHBondContact O-N 3.17Å |
| 45 | L | 89.2 | Confident | 83.4 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 6% | 0.058 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 136.2 | 164.8 | 172.4 | 62.8 | 0 | 0 | 0 | 108.2 | D47 F52 R53 F76 I78 F88 L125 | L45-D47 WeakPolarHBondContact CD2-OD1 3.18Å; L45-F52 VanDerWaalsContact O-CA 3.27Å; L45-F52 WeakPolarHBondContact O-CA 3.46Å; L45-R53 HydrophobicContact CB-CB 4.33Å; L45-R53 PolarHBondContact N-O 2.82Å; L45-R53 PolarHBondContact O-N 2.88Å; L45-F76 HydrophobicContact CB-CD1 3.81Å; L45-F76 HydrophobicContact CB-CD2 3.83Å; L45-F76 HydrophobicContact CB-CE1 3.83Å; L45-F76 HydrophobicContact CB-CE2 3.84Å; L45-F76 HydrophobicContact CB-CG 3.83Å; L45-F76 HydrophobicContact CB-CZ 3.85Å; L45-F76 HydrophobicContact CD2-CB 3.98Å; L45-F76 HydrophobicContact CD2-CD1 4.35Å; L45-F76 HydrophobicContact CD2-CG 4.14Å; L45-F76 VanDerWaalsContact N-CZ 3.32Å; L45-I78 HydrophobicContact CD1-CD1 3.98Å; L45-I78 HydrophobicContact CD2-CD1 4Å; L45-I78 HydrophobicContact CD2-CG1 4.26Å; L45-F88 HydrophobicContact CD1-CE1 4.32Å; L45-L125 HydrophobicContact CD1-CB 4.46Å; L45-L125 HydrophobicContact CD1-CD2 4.24Å |
| 46 | Q | 86.5 | Confident | 83.7 | Confident | 47 Ų | 47 | 58.7 Ų | 58.7 | 22% | 0.22 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 106.6 | 164.7 | -172.7 | -179.3 | -22.5 | 0 | 0 | 109.4 | F52 V124 L125 K126 | Q46-F52 HydrophobicContact CB-CD1 4.14Å; Q46-F52 HydrophobicContact CB-CE1 3.79Å; Q46-F52 HydrophobicContact CB-CZ 4.47Å; Q46-F52 HydrophobicContact CG-CD1 4.42Å; Q46-F52 HydrophobicContact CG-CE1 3.85Å; Q46-F52 HydrophobicContact CG-CZ 4.04Å; Q46-V124 HydrophobicContact CB-CG1 3.89Å; Q46-L125 PolarHBondContact N-O 2.67Å; Q46-L125 VanDerWaalsContact N-O 3.09Å; Q46-K126 HydrophobicContact CB-CG 4.33Å; Q46-K126 VanDerWaalsContact OE1-CE 3.28Å |
| 47 | D | 71.4 | Confident | 83.8 | Confident | 33 Ų | 33 | 56.5 Ų | 56.5 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | trans | -64.7 | 159.7 | 174.8 | -68.4 | 15.3 | 0 | 0 | 0 | 110.7 | L45 N49 R50 K51 R53 | L45-D47 WeakPolarHBondContact CD2-OD1 3.18Å; D47-N49 PolarHBondContact O-N 3.11Å; D47-N49 VanDerWaalsContact O-N 3.08Å; D47-R50 WeakPolarHBondContact O-CA 3.48Å; D47-R50 PolarHBondContact O-N 2.75Å; D47-K51 HydrophobicContact CB-CB 4.49Å; D47-K51 PolarHBondContact N-O 2.89Å; D47-R53 IonicContact OD1-CZ 3.55Å; D47-R53 IonicContact OD1-NE 3.73Å; D47-R53 PolarHBondContact OD1-NE 3.22Å; D47-R53 VanDerWaalsContact OD1-NE 3.1Å; D47-R53 IonicContact OD2-CZ 3.99Å; D47-R53 VanDerWaalsContact OD2-CZ 3.27Å; D47-R53 IonicContact OD2-NE 2.86Å; D47-R53 PolarHBondContact OD2-NE 3.43Å; D47-R53 IonicContact OD2-NH2 3.03Å; D47-R53 PolarHBondContact OD2-NH2 2.88Å | ||
| 48 | E | 68.9 | Low | 83.8 | Confident | 139 Ų | 139 | 66 Ų | 66 | 65% | 0.65 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -31.1 | 179.1 | -63.2 | -168.7 | 164.7 | 0 | 0 | 112.1 | R50 K86 | E48-R50 PolarHBondContact O-N 2.87Å; E48-R50 VanDerWaalsContact O-N 3.11Å; E48-K86 IonicContact OE1-NZ 3.7Å; E48-K86 PolarHBondContact OE1-NZ 3.31Å |
| 49 | N | 64.2 | Low | 83.8 | Confident | 136 Ų | 136 | 63.1 Ų | 63.1 | 73% | 0.727 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | 16 | 174.3 | -68.4 | -33.7 | 0 | 0 | 0 | 115.1 | D47 K51 | D47-N49 PolarHBondContact O-N 3.11Å; D47-N49 VanDerWaalsContact O-N 3.08Å; N49-K51 HydrophobicContact CB-CG 4.24Å; N49-K51 PolarHBondContact O-N 3.28Å |
| 50 | R | 67.7 | Low | 83.9 | Confident | 127 Ų | 127 | 63.9 Ų | 63.9 | 48% | 0.479 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 56.5 | 8.6 | -171.3 | -61.9 | -175.6 | 168.7 | -153.1 | -10.5 | 115 | D47 E48 F52 P249 D250 | D47-R50 WeakPolarHBondContact O-CA 3.48Å; D47-R50 PolarHBondContact O-N 2.75Å; E48-R50 PolarHBondContact O-N 2.87Å; E48-R50 VanDerWaalsContact O-N 3.11Å; R50-F52 WeakPolarHBondContact O-CE2 3.4Å; R50-P249 PolarHBondContact NH1-O 3.05Å; R50-D250 IonicContact CZ-OD1 3.59Å; R50-D250 IonicContact NH1-OD1 2.7Å; R50-D250 IonicContact NH2-OD1 2.7Å; R50-D250 PolarHBondContact NH2-OD1 2.93Å |
| 51 | K | 67.4 | Low | 84 | Confident | 88 Ų | 88 | 63.1 Ų | 63.1 | 38% | 0.383 | 29% | 0.285 | S | S | . | . | trans | -74.2 | 148.7 | 174.3 | -59.2 | -160.6 | -179.6 | -160.6 | 0 | 110.3 | D47 N49 N1257 D1258 | D47-K51 HydrophobicContact CB-CB 4.49Å; D47-K51 PolarHBondContact N-O 2.89Å; N49-K51 HydrophobicContact CB-CG 4.24Å; N49-K51 PolarHBondContact O-N 3.28Å; K51-N1257 PolarHBondContact NZ-O 2.97Å; K51-D1258 VanDerWaalsContact CE-O 3.22Å; K51-D1258 WeakPolarHBondContact CE-O 3.44Å; K51-D1258 PolarHBondContact NZ-O 3.35Å | ||
| 52 | F | 74.8 | Confident | 84 | Confident | 85 Ų | 85 | 65.6 Ų | 65.6 | 37% | 0.373 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 126.9 | -177.4 | -69.5 | -84.3 | 0 | 0 | 0 | 111.8 | F44 L45 Q46 R50 V124 | F44-F52 HydrophobicContact CB-CD1 4.35Å; L45-F52 VanDerWaalsContact O-CA 3.27Å; L45-F52 WeakPolarHBondContact O-CA 3.46Å; Q46-F52 HydrophobicContact CB-CD1 4.14Å; Q46-F52 HydrophobicContact CB-CE1 3.79Å; Q46-F52 HydrophobicContact CB-CZ 4.47Å; Q46-F52 HydrophobicContact CG-CD1 4.42Å; Q46-F52 HydrophobicContact CG-CE1 3.85Å; Q46-F52 HydrophobicContact CG-CZ 4.04Å; R50-F52 WeakPolarHBondContact O-CE2 3.4Å; F52-V124 HydrophobicContact CD1-CG1 4.49Å; F52-V124 HydrophobicContact CE1-CG1 3.98Å |
| 53 | R | 82.1 | Confident | 84.1 | Confident | 139 Ų | 139 | 63.5 Ų | 63.5 | 53% | 0.525 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 161.3 | 165.7 | -48.6 | -175.9 | -165 | -153 | -2.9 | 109.2 | F44 L45 D47 F76 | F44-R53 CarbonylContact C-O 3.51Å; F44-R53 WeakPolarHBondContact CA-O 3.48Å; L45-R53 HydrophobicContact CB-CB 4.33Å; L45-R53 PolarHBondContact N-O 2.82Å; L45-R53 PolarHBondContact O-N 2.88Å; D47-R53 IonicContact OD1-CZ 3.55Å; D47-R53 IonicContact OD1-NE 3.73Å; D47-R53 PolarHBondContact OD1-NE 3.22Å; D47-R53 VanDerWaalsContact OD1-NE 3.1Å; D47-R53 IonicContact OD2-CZ 3.99Å; D47-R53 VanDerWaalsContact OD2-CZ 3.27Å; D47-R53 IonicContact OD2-NE 2.86Å; D47-R53 PolarHBondContact OD2-NE 3.43Å; D47-R53 IonicContact OD2-NH2 3.03Å; D47-R53 PolarHBondContact OD2-NH2 2.88Å; R53-F76 HydrophobicContact CB-CD1 4.23Å; R53-F76 HydrophobicContact CB-CE1 3.97Å |
| 54 | T | 88.2 | Confident | 84.1 | Confident | 56 Ų | 56 | 68.5 Ų | 68.5 | 34% | 0.344 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 134.8 | -178.4 | -53.7 | 0 | 0 | 0 | 0 | 111 | R42 F43 F44 | R42-T54 HydrophobicContact CG-CG2 3.48Å; R42-T54 VanDerWaalsContact CG-CG2 3.48Å; F43-T54 WeakPolarHBondContact O-CA 3.32Å; F43-T54 WeakPolarHBondContact O-CG2 3.45Å; F44-T54 HydrophobicContact CD1-CG2 4.19Å; F44-T54 WeakPolarHBondContact CD1-OG1 3.4Å; F44-T54 HydrophobicContact CE1-CG2 4.02Å; F44-T54 VanDerWaalsContact CE1-OG1 3.31Å; F44-T54 WeakPolarHBondContact CE1-OG1 3.22Å; F44-T54 HydrophobicContact CZ-CG2 4.29Å |
| 55 | K | 86.5 | Confident | 84.1 | Confident | 81 Ų | 81 | 67.8 Ų | 67.8 | 35% | 0.352 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 152.2 | 166.4 | -76 | -160.7 | 177.4 | -174.6 | 0 | 110.6 | F43 K75 F76 | F43-K55 PolarHBondContact N-O 2.8Å; F43-K55 PolarHBondContact O-N 2.9Å; K55-K75 HydrophobicContact CD-CB 4.31Å; K55-K75 WeakPolarHBondContact CD-O 3.25Å; K55-K75 WeakPolarHBondContact CE-O 3.47Å; K55-K75 PolarHBondContact NZ-O 3.38Å; K55-F76 HydrophobicContact CB-CE1 4.04Å; K55-F76 HydrophobicContact CB-CZ 4.15Å; K55-F76 HydrophobicContact CG-CD1 4.26Å; K55-F76 HydrophobicContact CG-CE1 3.94Å |
| 56 | C | 90.2 | Very high | 84.2 | Confident | 36 Ų | 36 | 69.3 Ų | 69.3 | 24% | 0.243 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.7 | 171.6 | -74.1 | 0 | 0 | 0 | 0 | 108.4 | V40 M41 | V40-C56 HydrophobicContact CG1-CB 3.89Å; M41-C56 VanDerWaalsContact O-CA 3.28Å; M41-C56 WeakPolarHBondContact O-CA 3.46Å |
| 57 | I | 90.8 | Very high | 84.4 | Confident | 22 Ų | 22 | 71.2 Ų | 71.2 | 11% | 0.113 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 150.2 | 177.1 | 55.2 | 165.2 | 0 | 0 | 0 | 109.7 | M41 F43 V59 V68 V71 L72 K75 | M41-I57 PolarHBondContact N-O 3.32Å; M41-I57 PolarHBondContact O-N 3.02Å; F43-I57 HydrophobicContact CD2-CD1 3.97Å; F43-I57 HydrophobicContact CD2-CG1 3.73Å; F43-I57 HydrophobicContact CE2-CD1 3.74Å; F43-I57 HydrophobicContact CE2-CG1 3.68Å; I57-V59 HydrophobicContact CD1-CG2 3.87Å; I57-V59 HydrophobicContact CG1-CG2 3.85Å; I57-V68 HydrophobicContact CD1-CG1 4.11Å; I57-V71 HydrophobicContact CD1-CG1 4.32Å; I57-L72 HydrophobicContact CD1-CD2 3.68Å; I57-L72 HydrophobicContact CD1-CG 3.96Å; I57-L72 HydrophobicContact CG1-CD2 4.22Å; I57-K75 HydrophobicContact CG2-CG 4.43Å |
| 58 | R | 91.7 | Very high | 85.5 | Confident | 201 Ų | 201 | 69.9 Ų | 69.9 | 76% | 0.758 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 130 | 170.5 | -173.8 | 173.9 | -74.6 | 168.7 | -2.1 | 108.5 | N38 G39 | N38-R58 HydrophobicContact CB-CG 4.48Å; G39-R58 CarbonylContact O-C 3.49Å; G39-R58 WeakPolarHBondContact O-CA 3.37Å |
| 59 | V | 92.5 | Very high | 86.5 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.024 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 142 | -175.2 | -175.1 | 0 | 0 | 0 | 0 | 108.6 | N38 G39 M41 F43 I57 V68 L108 | N38-V59 WeakPolarHBondContact CA-O 3.29Å; G39-V59 PolarHBondContact N-O 3.35Å; G39-V59 PolarHBondContact O-N 3.09Å; M41-V59 HydrophobicContact CB-CG2 3.99Å; M41-V59 HydrophobicContact CG-CB 4.06Å; M41-V59 HydrophobicContact CG-CG2 3.9Å; M41-V59 HydrophobicContact SD-CB 3.69Å; M41-V59 HydrophobicContact SD-CG1 3.86Å; M41-V59 HydrophobicContact SD-CG2 3.71Å; F43-V59 HydrophobicContact CE2-CG2 4.12Å; I57-V59 HydrophobicContact CD1-CG2 3.87Å; I57-V59 HydrophobicContact CG1-CG2 3.85Å; V59-V68 HydrophobicContact CG1-CG2 3.88Å; V59-L108 HydrophobicContact CG1-CB 4.39Å |
| 60 | S | 92.9 | Very high | 87.6 | Confident | 18 Ų | 18 | 62.2 Ų | 62.2 | 13% | 0.126 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 152.3 | 171.7 | 178.1 | 0 | 0 | 0 | 0 | 111 | N38 S62 S63 | N38-S60 WeakPolarHBondContact OD1-CA 3.14Å; N38-S60 WeakPolarHBondContact OD1-CB 3.47Å; S60-S62 PolarHBondContact O-N 2.83Å; S60-S62 VanDerWaalsContact O-N 3.14Å; S60-S62 PolarHBondContact OG-N 3.49Å; S60-S62 VanDerWaalsContact OG-N 3.12Å; S60-S62 PolarHBondContact OG-OG 3.04Å; S60-S63 WeakPolarHBondContact CB-OG 3.34Å; S60-S63 PolarHBondContact N-OG 2.84Å; S60-S63 WeakPolarHBondContact O-CB 3.21Å; S60-S63 PolarHBondContact O-N 3.14Å |
| 61 | S | 93.1 | Very high | 88.6 | Confident | 11 Ų | 11 | 59 Ų | 59 | 8% | 0.077 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -20.7 | 165.5 | 57.5 | 0 | 0 | 0 | 0 | 113.7 | E36 F37 Y106 | E36-S61 WeakPolarHBondContact CA-OG 3.4Å; F37-S61 PolarHBondContact N-OG 2.83Å; F37-S61 WeakPolarHBondContact O-CB 3.45Å; F37-S61 PolarHBondContact O-N 2.67Å; F37-S61 PolarHBondContact O-OG 3.33Å; S61-Y106 WeakPolarHBondContact O-CD1 3.45Å |
| 62 | S | 91 | Very high | 89.7 | Confident | 51 Ų | 51 | 54.8 Ų | 54.8 | 36% | 0.357 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -4.5 | 176 | 46.3 | 0 | 0 | 0 | 0 | 114.6 | E36 S60 Y106 | E36-S62 WeakPolarHBondContact OE1-CB 3.48Å; E36-S62 PolarHBondContact OE1-OG 3.06Å; S60-S62 PolarHBondContact O-N 2.83Å; S60-S62 VanDerWaalsContact O-N 3.14Å; S60-S62 PolarHBondContact OG-N 3.49Å; S60-S62 VanDerWaalsContact OG-N 3.12Å; S60-S62 PolarHBondContact OG-OG 3.04Å; S62-Y106 VanDerWaalsContact O-CE1 3.32Å; S62-Y106 WeakPolarHBondContact O-CE1 3.43Å |
| 63 | S | 91.8 | Very high | 90.2 | Very high | 29 Ų | 29 | 53 Ų | 53 | 20% | 0.203 | 26% | 0.257 | C | S | . | . | trans | -77.1 | 127.2 | 176.2 | -56.2 | 0 | 0 | 0 | 0 | 112 | S60 E67 Y106 P107 | S60-S63 WeakPolarHBondContact CB-OG 3.34Å; S60-S63 PolarHBondContact N-OG 2.84Å; S60-S63 WeakPolarHBondContact O-CB 3.21Å; S60-S63 PolarHBondContact O-N 3.14Å; S63-E67 WeakPolarHBondContact CA-OE2 3.36Å; S63-Y106 WeakPolarHBondContact O-CD1 3.39Å; S63-P107 WeakPolarHBondContact O-CD 3.47Å | ||
| 64 | R | 93.6 | Very high | 90.2 | Very high | 105 Ų | 105 | 50.7 Ų | 50.7 | 40% | 0.396 | 25% | 0.252 | S | S | . | . | trans | -83.8 | 159.2 | 179.4 | -63.8 | -178.8 | 179 | 160 | 3.8 | 113 | S66 E67 V68 E105 Y106 | R64-S66 PolarHBondContact O-N 3.28Å; R64-E67 HydrophobicContact CB-CG 4.4Å; R64-E67 WeakPolarHBondContact CB-OE1 3.48Å; R64-E67 WeakPolarHBondContact CD-OE1 3.36Å; R64-E67 WeakPolarHBondContact CG-OE1 3.38Å; R64-E67 PolarHBondContact N-OE2 3.45Å; R64-E67 PolarHBondContact O-N 3.06Å; R64-E67 VanDerWaalsContact O-N 3.12Å; R64-V68 WeakPolarHBondContact O-CB 3.46Å; R64-V68 WeakPolarHBondContact O-CG2 3.47Å; R64-V68 PolarHBondContact O-N 3.42Å; R64-E105 CarbonylContact C-O 3.59Å; R64-Y106 HydrophobicContact CG-CD1 4.19Å; R64-Y106 HydrophobicContact CG-CE1 3.53Å; R64-Y106 PolarHBondContact NE-OH 2.78Å | ||
| 65 | T | 92.9 | Very high | 89.9 | Confident | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.3 | -33.9 | 177.7 | -67.2 | 0 | 0 | 0 | 0 | 112 | A69 I90 L101 T102 N103 E105 | T65-A69 WeakPolarHBondContact O-CB 3.2Å; T65-A69 PolarHBondContact O-N 3.47Å; T65-I90 HydrophobicContact CG2-CB 4.12Å; T65-I90 HydrophobicContact CG2-CD1 4.18Å; T65-I90 HydrophobicContact CG2-CG1 4.28Å; T65-L101 HydrophobicContact CG2-CB 3.78Å; T65-T102 VanDerWaalsContact CB-O 3.32Å; T65-T102 WeakPolarHBondContact CB-O 3.34Å; T65-T102 PolarHBondContact OG1-O 2.86Å; T65-N103 WeakPolarHBondContact CB-O 3.37Å; T65-N103 PolarHBondContact N-O 3.11Å; T65-E105 WeakPolarHBondContact CB-O 3.47Å; T65-E105 PolarHBondContact N-O 3.18Å; T65-E105 PolarHBondContact OG1-O 2.74Å |
| 66 | S | 90.4 | Very high | 89.8 | Confident | 43 Ų | 43 | 48.5 Ų | 48.5 | 30% | 0.301 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.7 | -48.3 | 172.4 | 48.5 | 0 | 0 | 0 | 0 | 112.9 | R64 A69 E70 N103 | R64-S66 PolarHBondContact O-N 3.28Å; S66-A69 PolarHBondContact O-N 3.34Å; S66-E70 PolarHBondContact O-N 3.23Å; S66-E70 VanDerWaalsContact O-N 3.12Å; S66-N103 PolarHBondContact N-O 3.15Å |
| 67 | E | 91.5 | Very high | 89.1 | Confident | 88 Ų | 88 | 48.5 Ų | 48.5 | 41% | 0.411 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.4 | -46.6 | -179.9 | -65.3 | 144.6 | -151 | 0 | 0 | 110.6 | S63 R64 A69 E70 V71 | S63-E67 WeakPolarHBondContact CA-OE2 3.36Å; R64-E67 HydrophobicContact CB-CG 4.4Å; R64-E67 WeakPolarHBondContact CB-OE1 3.48Å; R64-E67 WeakPolarHBondContact CD-OE1 3.36Å; R64-E67 WeakPolarHBondContact CG-OE1 3.38Å; R64-E67 PolarHBondContact N-OE2 3.45Å; R64-E67 PolarHBondContact O-N 3.06Å; R64-E67 VanDerWaalsContact O-N 3.12Å; E67-A69 VanDerWaalsContact C-N 3.29Å; E67-A69 PolarHBondContact O-N 3.2Å; E67-E70 PolarHBondContact O-N 2.94Å; E67-V71 WeakPolarHBondContact O-CG2 3.38Å; E67-V71 PolarHBondContact O-N 2.98Å |
| 68 | V | 92.7 | Very high | 88.2 | Confident | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.9 | -34.1 | 176.2 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | F43 I57 V59 R64 L72 I90 P107 | F43-V68 HydrophobicContact CE1-CG1 4.08Å; F43-V68 HydrophobicContact CE2-CG1 4.08Å; F43-V68 HydrophobicContact CZ-CG1 3.6Å; I57-V68 HydrophobicContact CD1-CG1 4.11Å; V59-V68 HydrophobicContact CG1-CG2 3.88Å; R64-V68 WeakPolarHBondContact O-CB 3.46Å; R64-V68 WeakPolarHBondContact O-CG2 3.47Å; R64-V68 PolarHBondContact O-N 3.42Å; V68-L72 HydrophobicContact CG1-CD1 3.83Å; V68-L72 HydrophobicContact CG1-CG 4.3Å; V68-L72 WeakPolarHBondContact O-CB 3.17Å; V68-L72 WeakPolarHBondContact O-CD1 3.31Å; V68-L72 WeakPolarHBondContact O-CG 3.47Å; V68-L72 PolarHBondContact O-N 3.33Å; V68-I90 HydrophobicContact CB-CD1 4.19Å; V68-I90 HydrophobicContact CG1-CD1 3.78Å; V68-P107 HydrophobicContact CB-CG 4.29Å; V68-P107 HydrophobicContact CG1-CG 4.32Å; V68-P107 HydrophobicContact CG2-CG 4.2Å |
| 69 | A | 90.5 | Very high | 86.3 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 5% | 0.05 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.1 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T65 S66 E67 L72 K73 I90 L125 | T65-A69 WeakPolarHBondContact O-CB 3.2Å; T65-A69 PolarHBondContact O-N 3.47Å; S66-A69 PolarHBondContact O-N 3.34Å; E67-A69 VanDerWaalsContact C-N 3.29Å; E67-A69 PolarHBondContact O-N 3.2Å; A69-L72 PolarHBondContact O-N 2.56Å; A69-K73 WeakPolarHBondContact O-CG 3.46Å; A69-K73 PolarHBondContact O-N 2.82Å; A69-I90 HydrophobicContact CB-CD1 4.24Å; A69-I90 HydrophobicContact CB-CG1 4.24Å; A69-L125 HydrophobicContact CB-CD1 4.41Å |
| 70 | E | 87.3 | Confident | 84.4 | Confident | 107 Ų | 107 | 49.1 Ų | 49.1 | 50% | 0.5 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.6 | -48 | 175.7 | -60.9 | -52.2 | 142.8 | 0 | 0 | 111.5 | S66 E67 L72 K73 E74 | S66-E70 PolarHBondContact O-N 3.23Å; S66-E70 VanDerWaalsContact O-N 3.12Å; E67-E70 PolarHBondContact O-N 2.94Å; E70-L72 PolarHBondContact O-N 3.02Å; E70-K73 WeakPolarHBondContact O-CB 3.43Å; E70-K73 PolarHBondContact O-N 3.48Å; E70-K73 WeakPolarHBondContact OE1-CE 3.46Å; E70-K73 IonicContact OE1-NZ 2.69Å; E70-K73 PolarHBondContact OE1-NZ 2.73Å; E70-K73 VanDerWaalsContact OE2-CE 3.28Å; E70-K73 WeakPolarHBondContact OE2-CE 3.27Å; E70-K73 IonicContact OE2-NZ 3.45Å; E70-K73 PolarHBondContact OE2-NZ 2.98Å; E70-E74 PolarHBondContact O-N 3.36Å; E70-E74 VanDerWaalsContact O-N 3.09Å |
| 71 | V | 88.7 | Confident | 82.1 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 36% | 0.358 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.4 | -33.3 | 174.5 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | I57 E67 K75 | I57-V71 HydrophobicContact CD1-CG1 4.32Å; E67-V71 WeakPolarHBondContact O-CG2 3.38Å; E67-V71 PolarHBondContact O-N 2.98Å; V71-K75 HydrophobicContact CG1-CG 4.27Å; V71-K75 WeakPolarHBondContact O-CB 3.39Å; V71-K75 WeakPolarHBondContact O-CG 3.35Å; V71-K75 PolarHBondContact O-N 3.26Å |
| 72 | L | 90.3 | Very high | 80.1 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -75.9 | -29.5 | 174.5 | -71.3 | 169.4 | 0 | 0 | 0 | 113.5 | F43 I57 V68 A69 E70 F76 I90 L125 | F43-L72 HydrophobicContact CB-CD1 3.93Å; F43-L72 HydrophobicContact CB-CD2 3.74Å; F43-L72 HydrophobicContact CD1-CD1 3.47Å; F43-L72 VanDerWaalsContact CD1-CD1 3.47Å; F43-L72 HydrophobicContact CD2-CD1 3.99Å; F43-L72 HydrophobicContact CD2-CD2 3.86Å; F43-L72 HydrophobicContact CD2-CG 4.47Å; F43-L72 HydrophobicContact CE1-CD1 3.9Å; F43-L72 HydrophobicContact CE2-CD1 4.34Å; F43-L72 HydrophobicContact CG-CD1 3.53Å; F43-L72 HydrophobicContact CG-CD2 3.85Å; F43-L72 HydrophobicContact CG-CG 4.34Å; F43-L72 HydrophobicContact CZ-CD1 4.32Å; I57-L72 HydrophobicContact CD1-CD2 3.68Å; I57-L72 HydrophobicContact CD1-CG 3.96Å; I57-L72 HydrophobicContact CG1-CD2 4.22Å; V68-L72 HydrophobicContact CG1-CD1 3.83Å; V68-L72 HydrophobicContact CG1-CG 4.3Å; V68-L72 WeakPolarHBondContact O-CB 3.17Å; V68-L72 WeakPolarHBondContact O-CD1 3.31Å; V68-L72 WeakPolarHBondContact O-CG 3.47Å; V68-L72 PolarHBondContact O-N 3.33Å; A69-L72 PolarHBondContact O-N 2.56Å; E70-L72 PolarHBondContact O-N 3.02Å; L72-F76 HydrophobicContact CB-CD2 4.24Å; L72-F76 HydrophobicContact CD2-CD2 4.36Å; L72-F76 HydrophobicContact CD2-CE2 3.98Å; L72-F76 VanDerWaalsContact O-CB 3.23Å; L72-F76 WeakPolarHBondContact O-CB 3.31Å; L72-F76 WeakPolarHBondContact O-CD2 3.26Å; L72-F76 PolarHBondContact O-N 3.38Å; L72-I90 HydrophobicContact CD1-CD1 3.91Å; L72-L125 HydrophobicContact CB-CD2 3.96Å |
| 73 | K | 85.7 | Confident | 78.3 | Confident | 49 Ų | 49 | 54.8 Ų | 54.8 | 21% | 0.213 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.9 | -47.7 | 172.4 | -67.1 | 179.9 | -151.1 | 162 | 0 | 111.1 | A69 E70 F76 C77 I78 F88 | A69-K73 WeakPolarHBondContact O-CG 3.46Å; A69-K73 PolarHBondContact O-N 2.82Å; E70-K73 WeakPolarHBondContact O-CB 3.43Å; E70-K73 PolarHBondContact O-N 3.48Å; E70-K73 WeakPolarHBondContact OE1-CE 3.46Å; E70-K73 IonicContact OE1-NZ 2.69Å; E70-K73 PolarHBondContact OE1-NZ 2.73Å; E70-K73 VanDerWaalsContact OE2-CE 3.28Å; E70-K73 WeakPolarHBondContact OE2-CE 3.27Å; E70-K73 IonicContact OE2-NZ 3.45Å; E70-K73 PolarHBondContact OE2-NZ 2.98Å; K73-F76 PolarHBondContact O-N 3.29Å; K73-C77 PolarHBondContact O-N 3.39Å; K73-C77 VanDerWaalsContact O-N 3.11Å; K73-I78 HydrophobicContact CG-CD1 4.49Å; K73-I78 PolarHBondContact O-N 2.91Å; K73-I78 VanDerWaalsContact O-N 3.13Å; K73-F88 HydrophobicContact CD-CD2 4.08Å; K73-F88 HydrophobicContact CG-CD2 4.19Å; K73-F88 HydrophobicContact CG-CG 4.44Å |
| 74 | E | 81.6 | Confident | 76.4 | Confident | 90 Ų | 90 | 58.3 Ų | 58.3 | 42% | 0.421 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -53.9 | -60.7 | 172.4 | 177.4 | -155.8 | 113 | 0 | 0 | 109.3 | E70 F76 C77 | E70-E74 PolarHBondContact O-N 3.36Å; E70-E74 VanDerWaalsContact O-N 3.09Å; E74-F76 VanDerWaalsContact C-N 3.33Å; E74-F76 PolarHBondContact O-N 2.95Å; E74-C77 WeakPolarHBondContact O-CA 3.16Å; E74-C77 PolarHBondContact O-N 3.05Å |
| 75 | K | 81.7 | Confident | 74.5 | Confident | 80 Ų | 80 | 61 Ų | 61 | 35% | 0.348 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.1 | -27.6 | -176.5 | -68.4 | -78.8 | 166.5 | -86.2 | 0 | 113.6 | K55 I57 V71 C77 | K55-K75 HydrophobicContact CD-CB 4.31Å; K55-K75 WeakPolarHBondContact CD-O 3.25Å; K55-K75 WeakPolarHBondContact CE-O 3.47Å; K55-K75 PolarHBondContact NZ-O 3.38Å; I57-K75 HydrophobicContact CG2-CG 4.43Å; V71-K75 HydrophobicContact CG1-CG 4.27Å; V71-K75 WeakPolarHBondContact O-CB 3.39Å; V71-K75 WeakPolarHBondContact O-CG 3.35Å; V71-K75 PolarHBondContact O-N 3.26Å; K75-C77 VanDerWaalsContact C-N 3.29Å |
| 76 | F | 84.1 | Confident | 73.2 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 4% | 0.044 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 0.8 | 171.1 | -78.8 | -62.9 | 0 | 0 | 0 | 114.2 | F43 L45 R53 K55 L72 K73 E74 I78 L125 | F43-F76 HydrophobicContact CB-CE2 4.46Å; L45-F76 HydrophobicContact CB-CD1 3.81Å; L45-F76 HydrophobicContact CB-CD2 3.83Å; L45-F76 HydrophobicContact CB-CE1 3.83Å; L45-F76 HydrophobicContact CB-CE2 3.84Å; L45-F76 HydrophobicContact CB-CG 3.83Å; L45-F76 HydrophobicContact CB-CZ 3.85Å; L45-F76 HydrophobicContact CD2-CB 3.98Å; L45-F76 HydrophobicContact CD2-CD1 4.35Å; L45-F76 HydrophobicContact CD2-CG 4.14Å; L45-F76 VanDerWaalsContact N-CZ 3.32Å; R53-F76 HydrophobicContact CB-CD1 4.23Å; R53-F76 HydrophobicContact CB-CE1 3.97Å; K55-F76 HydrophobicContact CB-CE1 4.04Å; K55-F76 HydrophobicContact CB-CZ 4.15Å; K55-F76 HydrophobicContact CG-CD1 4.26Å; K55-F76 HydrophobicContact CG-CE1 3.94Å; L72-F76 HydrophobicContact CB-CD2 4.24Å; L72-F76 HydrophobicContact CD2-CD2 4.36Å; L72-F76 HydrophobicContact CD2-CE2 3.98Å; L72-F76 VanDerWaalsContact O-CB 3.23Å; L72-F76 WeakPolarHBondContact O-CB 3.31Å; L72-F76 WeakPolarHBondContact O-CD2 3.26Å; L72-F76 PolarHBondContact O-N 3.38Å; K73-F76 PolarHBondContact O-N 3.29Å; E74-F76 VanDerWaalsContact C-N 3.33Å; E74-F76 PolarHBondContact O-N 2.95Å; F76-I78 HydrophobicContact CB-CD1 4.03Å; F76-I78 HydrophobicContact CB-CG1 3.78Å; F76-I78 PolarHBondContact O-N 3.29Å; F76-L125 HydrophobicContact CD2-CD2 4.09Å |
| 77 | C | 76.4 | Confident | 72.3 | Confident | 37 Ų | 37 | 69.7 Ų | 69.7 | 25% | 0.25 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 44.7 | 175 | -43.6 | 0 | 0 | 0 | 0 | 112 | K73 E74 K75 Q79 D1165 | K73-C77 PolarHBondContact O-N 3.39Å; K73-C77 VanDerWaalsContact O-N 3.11Å; E74-C77 WeakPolarHBondContact O-CA 3.16Å; E74-C77 PolarHBondContact O-N 3.05Å; K75-C77 VanDerWaalsContact C-N 3.29Å; C77-Q79 PolarHBondContact O-N 3.36Å; C77-D1165 PolarHBondContact SG-N 3.45Å; C77-D1165 VanDerWaalsContact SG-N 3.39Å; C77-D1165 PolarHBondContact SG-O 3.49Å |
| 78 | I | 71.2 | Confident | 71.9 | Confident | 38 Ų | 38 | 66.7 Ų | 66.7 | 20% | 0.195 | 34% | 0.341 | C | S | . | . | trans | -80.7 | 61.9 | -174.7 | -47.4 | -176.1 | 0 | 0 | 0 | 110.3 | L45 K73 F76 V83 F88 L125 | L45-I78 HydrophobicContact CD1-CD1 3.98Å; L45-I78 HydrophobicContact CD2-CD1 4Å; L45-I78 HydrophobicContact CD2-CG1 4.26Å; K73-I78 HydrophobicContact CG-CD1 4.49Å; K73-I78 PolarHBondContact O-N 2.91Å; K73-I78 VanDerWaalsContact O-N 3.13Å; F76-I78 HydrophobicContact CB-CD1 4.03Å; F76-I78 HydrophobicContact CB-CG1 3.78Å; F76-I78 PolarHBondContact O-N 3.29Å; I78-V83 HydrophobicContact CG2-CG1 3.6Å; I78-F88 HydrophobicContact CD1-CD1 4.44Å; I78-F88 HydrophobicContact CD1-CE1 3.91Å; I78-F88 HydrophobicContact CD1-CZ 3.99Å; I78-F88 HydrophobicContact CG2-CE2 4.17Å; I78-F88 HydrophobicContact CG2-CZ 3.74Å; I78-L125 HydrophobicContact CD1-CD2 3.98Å | ||
| 79 | Q | 51.5 | Low | 71.8 | Confident | 105 Ų | 105 | 66.6 Ų | 66.6 | 49% | 0.491 | 34% | 0.342 | S | S | . | . | trans | -102.3 | 47 | -174.2 | -61.5 | -140.5 | -35.5 | 0 | 0 | 113.7 | C77 Y1162 E1163 | C77-Q79 PolarHBondContact O-N 3.36Å; Q79-Y1162 PolarHBondContact NE2-O 3.4Å; Q79-E1163 PolarHBondContact NE2-O 2.88Å | ||
| 80 | E | 53.1 | Low | 71.9 | Confident | 97 Ų | 97 | 66.4 Ų | 66.4 | 45% | 0.453 | 34% | 0.34 | S | S | . | . | trans | -90.5 | 131.8 | 165.1 | -69.7 | -154.5 | 142.6 | 0 | 0 | 111.1 | S82 V83 T84 | E80-S82 WeakPolarHBondContact CB-OG 3.47Å; E80-S82 PolarHBondContact O-N 3.22Å; E80-S82 VanDerWaalsContact O-N 3.12Å; E80-S82 PolarHBondContact OE2-OG 3Å; E80-V83 HydrophobicContact CB-CB 4.06Å; E80-V83 HydrophobicContact CB-CG2 3.82Å; E80-V83 WeakPolarHBondContact O-CA 3.26Å; E80-V83 PolarHBondContact O-N 2.84Å; E80-T84 PolarHBondContact O-N 3.1Å | ||
| 81 | P | 45.1 | Very low | 72.2 | Confident | 115 Ų | 115 | 63.1 Ų | 63.1 | 75% | 0.747 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -12.3 | 177.8 | 27.9 | -35.1 | 0 | 0 | 0 | 113.4 | T84 | P81-T84 PolarHBondContact O-OG1 2.95Š|
| 82 | S | 50.9 | Low | 72.3 | Confident | 72 Ų | 72 | 60.9 Ų | 60.9 | 50% | 0.503 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -13.1 | 168.6 | 54.8 | 0 | 0 | 0 | 0 | 113.4 | E80 K86 | E80-S82 WeakPolarHBondContact CB-OG 3.47Å; E80-S82 PolarHBondContact O-N 3.22Å; E80-S82 VanDerWaalsContact O-N 3.12Å; E80-S82 PolarHBondContact OE2-OG 3Å; S82-K86 WeakPolarHBondContact O-CE 3.47Å |
| 83 | V | 52.2 | Low | 72.2 | Confident | 11 Ų | 11 | 62.6 Ų | 62.6 | 7% | 0.067 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -20.6 | -169.9 | 177.5 | 0 | 0 | 0 | 0 | 112.8 | I78 E80 N85 K86 F88 | I78-V83 HydrophobicContact CG2-CG1 3.6Å; E80-V83 HydrophobicContact CB-CB 4.06Å; E80-V83 HydrophobicContact CB-CG2 3.82Å; E80-V83 WeakPolarHBondContact O-CA 3.26Å; E80-V83 PolarHBondContact O-N 2.84Å; V83-N85 PolarHBondContact O-N 3.28Å; V83-N85 VanDerWaalsContact O-N 3.09Å; V83-K86 HydrophobicContact CB-CD 4.33Å; V83-K86 HydrophobicContact CG1-CD 4.3Å; V83-K86 HydrophobicContact CG2-CD 4.13Å; V83-K86 WeakPolarHBondContact O-CB 3.34Å; V83-K86 PolarHBondContact O-N 3.19Å; V83-F88 HydrophobicContact CG1-CE2 3.66Å; V83-F88 HydrophobicContact CG1-CZ 3.67Å |
| 84 | T | 52 | Low | 72 | Confident | 103 Ų | 103 | 62 Ų | 62 | 63% | 0.632 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | -34.5 | 179.7 | 49.2 | 0 | 0 | 0 | 0 | 114.7 | E80 P81 | E80-T84 PolarHBondContact O-N 3.1Å; P81-T84 PolarHBondContact O-OG1 2.95Å |
| 85 | N | 54.4 | Low | 71.3 | Confident | 161 Ų | 161 | 63 Ų | 63 | 86% | 0.861 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -2.5 | 176.6 | -83.4 | -32.1 | 0 | 0 | 0 | 114.8 | V83 | V83-N85 PolarHBondContact O-N 3.28Å; V83-N85 VanDerWaalsContact O-N 3.09Å |
| 86 | K | 65.3 | Low | 70.7 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 22% | 0.217 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -88.5 | 132.2 | -178.9 | -57.2 | 179.5 | 180 | 167 | 0 | 110.2 | E48 S82 V83 L127 | E48-K86 IonicContact OE1-NZ 3.7Å; E48-K86 PolarHBondContact OE1-NZ 3.31Å; S82-K86 WeakPolarHBondContact O-CE 3.47Å; V83-K86 HydrophobicContact CB-CD 4.33Å; V83-K86 HydrophobicContact CG1-CD 4.3Å; V83-K86 HydrophobicContact CG2-CD 4.13Å; V83-K86 WeakPolarHBondContact O-CB 3.34Å; V83-K86 PolarHBondContact O-N 3.19Å; K86-L127 HydrophobicContact CB-CD1 3.62Å; K86-L127 HydrophobicContact CB-CG 4.41Å; K86-L127 HydrophobicContact CD-CD1 3.69Å; K86-L127 HydrophobicContact CD-CD2 3.88Å; K86-L127 HydrophobicContact CD-CG 4.24Å; K86-L127 HydrophobicContact CG-CD1 4.31Å |
| 87 | R | 71.9 | Confident | 70.2 | Confident | 180 Ų | 180 | 68 Ų | 68 | 68% | 0.679 | 37% | 0.369 | S | S | * | . | trans | -75.3 | 149.9 | 175.8 | -71.8 | -175.4 | 176.2 | 174.1 | -0.9 | 111.6 | E128 | R87-E128 HydrophobicContact CB-CB 4.07Å; R87-E128 HydrophobicContact CB-CG 3.96Å; R87-E128 PolarHBondContact O-N 2.77Å | ||
| 88 | F | 84 | Confident | 70.5 | Confident | 25 Ų | 25 | 70.3 Ų | 70.3 | 11% | 0.11 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 139.3 | 173.9 | -74.7 | -97.6 | 0 | 0 | 0 | 110.6 | L45 K73 I78 V83 L125 K126 L127 | L45-F88 HydrophobicContact CD1-CE1 4.32Å; K73-F88 HydrophobicContact CD-CD2 4.08Å; K73-F88 HydrophobicContact CG-CD2 4.19Å; K73-F88 HydrophobicContact CG-CG 4.44Å; I78-F88 HydrophobicContact CD1-CD1 4.44Å; I78-F88 HydrophobicContact CD1-CE1 3.91Å; I78-F88 HydrophobicContact CD1-CZ 3.99Å; I78-F88 HydrophobicContact CG2-CE2 4.17Å; I78-F88 HydrophobicContact CG2-CZ 3.74Å; V83-F88 HydrophobicContact CG1-CE2 3.66Å; V83-F88 HydrophobicContact CG1-CZ 3.67Å; F88-L125 HydrophobicContact CB-CD1 3.96Å; F88-L125 HydrophobicContact CB-CG 4.3Å; F88-L125 HydrophobicContact CD1-CD2 4.18Å; F88-L125 HydrophobicContact CD1-CG 4.02Å; F88-K126 CarbonylContact C-O 3.5Å; F88-K126 VanDerWaalsContact CA-O 3.26Å; F88-K126 WeakPolarHBondContact CA-O 3.5Å; F88-K126 WeakPolarHBondContact CD1-O 3.44Å; F88-L127 HydrophobicContact CD1-CD1 4.35Å; F88-L127 HydrophobicContact CD2-CD1 4.36Å; F88-L127 HydrophobicContact CE1-CB 4.47Å; F88-L127 HydrophobicContact CE1-CD1 3.75Å; F88-L127 HydrophobicContact CE2-CD1 3.76Å; F88-L127 HydrophobicContact CZ-CD1 3.41Å; F88-L127 VanDerWaalsContact CZ-CD1 3.41Å |
| 89 | G | 88.9 | Confident | 71.4 | Confident | 4 Ų | 4 | 73.1 Ų | 73.1 | 4% | 0.041 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 150.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y91 K126 | G89-Y91 VanDerWaalsContact O-CD2 3.32Å; G89-Y91 WeakPolarHBondContact O-CD2 3.47Å; G89-K126 PolarHBondContact N-O 2.88Å; G89-K126 PolarHBondContact O-N 2.89Å |
| 90 | I | 93.5 | Very high | 73.3 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 130.1 | 171.3 | -57.7 | -178.2 | 0 | 0 | 0 | 108.9 | F43 T65 V68 A69 L72 L101 F123 L125 | F43-I90 HydrophobicContact CD1-CG2 4.45Å; F43-I90 HydrophobicContact CE1-CD1 4.16Å; F43-I90 HydrophobicContact CE1-CG2 4.2Å; T65-I90 HydrophobicContact CG2-CB 4.12Å; T65-I90 HydrophobicContact CG2-CD1 4.18Å; T65-I90 HydrophobicContact CG2-CG1 4.28Å; V68-I90 HydrophobicContact CB-CD1 4.19Å; V68-I90 HydrophobicContact CG1-CD1 3.78Å; A69-I90 HydrophobicContact CB-CD1 4.24Å; A69-I90 HydrophobicContact CB-CG1 4.24Å; L72-I90 HydrophobicContact CD1-CD1 3.91Å; I90-L101 HydrophobicContact CG2-CD2 4.4Å; I90-L101 PolarHBondContact O-N 2.74Å; I90-F123 HydrophobicContact CG2-CB 4.05Å; I90-F123 HydrophobicContact CG2-CD1 4.03Å; I90-F123 HydrophobicContact CG2-CG 4.4Å; I90-L125 HydrophobicContact CG1-CD1 3.94Å |
| 91 | Y | 93.2 | Very high | 75.1 | Confident | 39 Ų | 39 | 67.8 Ų | 67.8 | 15% | 0.153 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 121 | -178.8 | -67.8 | -104 | 0 | 0 | 0 | 110.9 | G89 V98 R99 R100 F123 V124 K126 | G89-Y91 VanDerWaalsContact O-CD2 3.32Å; G89-Y91 WeakPolarHBondContact O-CD2 3.47Å; Y91-V98 HydrophobicContact CD1-CG1 4.06Å; Y91-R99 CarbonylContact C-O 3.54Å; Y91-R99 VanDerWaalsContact CA-O 3.24Å; Y91-R99 WeakPolarHBondContact CA-O 3.46Å; Y91-R100 HydrophobicContact CD1-CB 3.93Å; Y91-R100 HydrophobicContact CE1-CB 3.73Å; Y91-R100 HydrophobicContact CE1-CG 4.38Å; Y91-F123 CarbonylContact O-C 3.41Å; Y91-F123 WeakPolarHBondContact O-CA 3.37Å; Y91-V124 PolarHBondContact N-O 2.89Å; Y91-V124 PolarHBondContact O-N 3.48Å; Y91-K126 HydrophobicContact CD2-CB 3.85Å; Y91-K126 HydrophobicContact CD2-CD 3.93Å; Y91-K126 HydrophobicContact CD2-CG 3.73Å; Y91-K126 HydrophobicContact CE2-CB 3.78Å; Y91-K126 HydrophobicContact CE2-CD 4.26Å; Y91-K126 HydrophobicContact CE2-CG 4.14Å; Y91-K126 HydrophobicContact CG-CD 4.2Å; Y91-K126 HydrophobicContact CG-CG 4.38Å |
| 92 | E | 92.1 | Very high | 77.3 | Confident | 11 Ų | 11 | 65.9 Ų | 65.9 | 5% | 0.051 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 120.1 | 166.8 | 170.6 | 174.2 | -120.7 | 0 | 0 | 109.5 | H94 V98 R99 L101 V110 W114 F123 | E92-H94 IonicContact OE1-CE1 3.45Å; E92-H94 IonicContact OE1-NE2 2.76Å; E92-H94 PolarHBondContact OE1-NE2 2.77Å; E92-H94 IonicContact OE2-NE2 3.95Å; E92-V98 CarbonylContact O-C 3.55Å; E92-V98 WeakPolarHBondContact O-CA 3.27Å; E92-R99 HydrophobicContact CB-CB 4.4Å; E92-R99 PolarHBondContact N-O 2.98Å; E92-R99 PolarHBondContact O-N 2.78Å; E92-R99 WeakPolarHBondContact OE2-CD 3.4Å; E92-R99 IonicContact OE2-NH1 3.27Å; E92-L101 HydrophobicContact CB-CD1 3.59Å; E92-V110 WeakPolarHBondContact OE1-CG1 3.28Å; E92-W114 PolarHBondContact OE1-NE1 2.86Å; E92-F123 HydrophobicContact CB-CD1 4.31Å; E92-F123 HydrophobicContact CB-CE1 4.21Å |
| 93 | H | 87.1 | Confident | 79.1 | Confident | 36 Ų | 36 | 66.3 Ų | 66.3 | 17% | 0.167 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 125.1 | 175.4 | -85.9 | -111.9 | 0 | 0 | 0 | 109.9 | V98 G121 K122 V124 K126 | H93-V98 VanDerWaalsContact CE1-CG2 3.44Å; H93-V98 WeakPolarHBondContact CE1-CG2 3.37Å; H93-V98 WeakPolarHBondContact ND1-CG2 3.22Å; H93-V98 WeakPolarHBondContact NE2-CG1 3.2Å; H93-G121 CarbonylContact O-C 3.47Å; H93-G121 WeakPolarHBondContact O-CA 3.48Å; H93-K122 HydrophobicContact CB-CD 4.5Å; H93-K122 HydrophobicContact CB-CG 3.69Å; H93-K122 PolarHBondContact N-O 3.48Å; H93-K122 PolarHBondContact O-N 2.66Å; H93-V124 HydrophobicContact CB-CG2 4.44Å; H93-V124 VanDerWaalsContact CD2-CG2 3.42Å; H93-V124 WeakPolarHBondContact CD2-CG2 3.4Å; H93-K126 PolarHBondContact CE1-NZ 3.03Å; H93-K126 WeakPolarHBondContact NE2-CE 3.48Å; H93-K126 PolarHBondContact NE2-NZ 3.03Å |
| 94 | H | 81.3 | Confident | 80.8 | Confident | 36 Ų | 36 | 71 Ų | 71 | 17% | 0.167 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 165.2 | 172.6 | -67.6 | -55.9 | 0 | 0 | 0 | 110.6 | E92 N96 G97 W114 E120 | E92-H94 IonicContact OE1-CE1 3.45Å; E92-H94 IonicContact OE1-NE2 2.76Å; E92-H94 PolarHBondContact OE1-NE2 2.77Å; E92-H94 IonicContact OE2-NE2 3.95Å; H94-N96 PolarHBondContact O-N 3.03Å; H94-N96 VanDerWaalsContact O-N 3.15Å; H94-G97 PolarHBondContact N-O 2.85Å; H94-G97 PolarHBondContact O-N 2.98Å; H94-G97 VanDerWaalsContact O-O 3.07Å; H94-W114 AromaticContact CE1-NE1 3.64Å; H94-E120 PolarHBondContact ND1-O 3.13Å |
| 95 | P | 67.6 | Low | 82.7 | Confident | 113 Ų | 113 | 68.3 Ų | 68.3 | 73% | 0.734 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -29 | 165.4 | -25.8 | 35.1 | 0 | 0 | 0 | 113.3 | E120 | P95-E120 WeakPolarHBondContact CD-O 3.32Š|
| 96 | N | 67.9 | Low | 84.6 | Confident | 158 Ų | 158 | 64.1 Ų | 64.1 | 85% | 0.845 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 6 | -175.5 | -60.7 | 5.8 | 0 | 0 | 0 | 113.9 | H94 | H94-N96 PolarHBondContact O-N 3.03Å; H94-N96 VanDerWaalsContact O-N 3.15Å |
| 97 | G | 74.8 | Confident | 86 | Confident | 37 Ų | 37 | 61.8 Ų | 61.8 | 38% | 0.381 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 142 | -174.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | H94 | H94-G97 PolarHBondContact N-O 2.85Å; H94-G97 PolarHBondContact O-N 2.98Å; H94-G97 VanDerWaalsContact O-O 3.07Å |
| 98 | V | 83.3 | Confident | 87 | Confident | 85 Ų | 85 | 53.2 Ų | 53.2 | 52% | 0.515 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132.9 | -177.7 | -176.4 | 0 | 0 | 0 | 0 | 110 | Y91 E92 H93 | Y91-V98 HydrophobicContact CD1-CG1 4.06Å; E92-V98 CarbonylContact O-C 3.55Å; E92-V98 WeakPolarHBondContact O-CA 3.27Å; H93-V98 VanDerWaalsContact CE1-CG2 3.44Å; H93-V98 WeakPolarHBondContact CE1-CG2 3.37Å; H93-V98 WeakPolarHBondContact ND1-CG2 3.22Å; H93-V98 WeakPolarHBondContact NE2-CG1 3.2Å |
| 99 | R | 89.2 | Confident | 87.3 | Confident | 97 Ų | 97 | 55.3 Ų | 55.3 | 37% | 0.366 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 131.4 | -178.1 | 176.1 | 178.1 | -177 | -84.8 | -11.6 | 110.1 | Y91 E92 E105 | Y91-R99 CarbonylContact C-O 3.54Å; Y91-R99 VanDerWaalsContact CA-O 3.24Å; Y91-R99 WeakPolarHBondContact CA-O 3.46Å; E92-R99 HydrophobicContact CB-CB 4.4Å; E92-R99 PolarHBondContact N-O 2.98Å; E92-R99 PolarHBondContact O-N 2.78Å; E92-R99 WeakPolarHBondContact OE2-CD 3.4Å; E92-R99 IonicContact OE2-NH1 3.27Å; R99-E105 IonicContact CZ-OE1 3.16Å; R99-E105 IonicContact CZ-OE2 2.99Å; R99-E105 IonicContact NH1-OE1 2.75Å; R99-E105 PolarHBondContact NH1-OE1 3.43Å; R99-E105 IonicContact NH1-OE2 2.8Å; R99-E105 PolarHBondContact NH1-OE2 2.84Å; R99-E105 IonicContact NH2-OE1 2.64Å; R99-E105 PolarHBondContact NH2-OE1 3.43Å; R99-E105 IonicContact NH2-OE2 2.69Å; R99-E105 PolarHBondContact NH2-OE2 3.37Å |
| 100 | R | 91 | Very high | 87.4 | Confident | 89 Ų | 89 | 56 Ų | 56 | 34% | 0.336 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 132.7 | 165.3 | 173.7 | 174.5 | 172.8 | 163 | 9 | 109.2 | Y91 E128 | Y91-R100 HydrophobicContact CD1-CB 3.93Å; Y91-R100 HydrophobicContact CE1-CB 3.73Å; Y91-R100 HydrophobicContact CE1-CG 4.38Å; R100-E128 IonicContact CZ-OE1 2.71Å; R100-E128 IonicContact CZ-OE2 2.73Å; R100-E128 IonicContact NH1-OE1 3.74Å; R100-E128 PolarHBondContact NH1-OE1 3.29Å; R100-E128 IonicContact NH1-OE2 2.96Å; R100-E128 PolarHBondContact NH1-OE2 3.39Å; R100-E128 VanDerWaalsContact NH2-CD 3.25Å; R100-E128 IonicContact NH2-OE1 3.83Å; R100-E128 PolarHBondContact NH2-OE1 2.95Å; R100-E128 IonicContact NH2-OE2 3.43Å; R100-E128 PolarHBondContact NH2-OE2 3.49Å |
| 101 | L | 91.9 | Very high | 87.2 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 141.4 | 167.5 | -85.5 | 63.4 | 0 | 0 | 0 | 109.7 | T65 I90 E92 E105 P107 V110 F123 | T65-L101 HydrophobicContact CG2-CB 3.78Å; I90-L101 HydrophobicContact CG2-CD2 4.4Å; I90-L101 PolarHBondContact O-N 2.74Å; E92-L101 HydrophobicContact CB-CD1 3.59Å; L101-E105 VanDerWaalsContact CA-OE2 3.31Å; L101-E105 WeakPolarHBondContact CA-OE2 3.21Å; L101-P107 HydrophobicContact CD2-CB 4.39Å; L101-P107 HydrophobicContact CD2-CG 4.21Å; L101-V110 HydrophobicContact CD2-CG2 4.31Å; L101-F123 HydrophobicContact CD1-CD1 4.32Å; L101-F123 HydrophobicContact CD1-CE1 4.11Å; L101-F123 HydrophobicContact CD2-CD1 4.32Å; L101-F123 HydrophobicContact CD2-CE1 3.93Å |
| 102 | T | 90.2 | Very high | 87 | Confident | 74 Ų | 74 | 54.6 Ų | 54.6 | 45% | 0.454 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 151 | 170.8 | 50.2 | 0 | 0 | 0 | 0 | 110.3 | T65 D104 E105 | T65-T102 VanDerWaalsContact CB-O 3.32Å; T65-T102 WeakPolarHBondContact CB-O 3.34Å; T65-T102 PolarHBondContact OG1-O 2.86Å; T102-D104 PolarHBondContact O-N 2.85Å; T102-E105 PolarHBondContact N-OE2 2.65Å; T102-E105 VanDerWaalsContact N-OE2 3.1Å; T102-E105 WeakPolarHBondContact O-CB 3.38Å; T102-E105 PolarHBondContact O-N 2.84Å; T102-E105 WeakPolarHBondContact OG1-CG 3.4Å |
| 103 | N | 88.4 | Confident | 86.7 | Confident | 82 Ų | 82 | 56 Ų | 56 | 44% | 0.439 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -34.8 | -175.3 | -65.5 | 14 | 0 | 0 | 0 | 113.2 | T65 S66 | T65-N103 WeakPolarHBondContact CB-O 3.37Å; T65-N103 PolarHBondContact N-O 3.11Å; S66-N103 PolarHBondContact N-O 3.15Å |
| 104 | D | 89.2 | Confident | 86.5 | Confident | 109 Ų | 109 | 54.4 Ų | 54.4 | 58% | 0.583 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -0.1 | -179.2 | -44.8 | -82.4 | 0 | 0 | 0 | 115 | T102 Y106 | T102-D104 PolarHBondContact O-N 2.85Å; D104-Y106 WeakPolarHBondContact O-CE2 3.26Å |
| 105 | E | 92.2 | Very high | 86.1 | Confident | 47 Ų | 47 | 54.7 Ų | 54.7 | 22% | 0.22 | 30% | 0.299 | C | S | . | . | trans | -81.2 | 152.6 | 174.1 | -82.2 | 178 | 147.4 | 0 | 0 | 111.9 | R64 T65 R99 L101 T102 P107 V110 | R64-E105 CarbonylContact C-O 3.59Å; T65-E105 WeakPolarHBondContact CB-O 3.47Å; T65-E105 PolarHBondContact N-O 3.18Å; T65-E105 PolarHBondContact OG1-O 2.74Å; R99-E105 IonicContact CZ-OE1 3.16Å; R99-E105 IonicContact CZ-OE2 2.99Å; R99-E105 IonicContact NH1-OE1 2.75Å; R99-E105 PolarHBondContact NH1-OE1 3.43Å; R99-E105 IonicContact NH1-OE2 2.8Å; R99-E105 PolarHBondContact NH1-OE2 2.84Å; R99-E105 IonicContact NH2-OE1 2.64Å; R99-E105 PolarHBondContact NH2-OE1 3.43Å; R99-E105 IonicContact NH2-OE2 2.69Å; R99-E105 PolarHBondContact NH2-OE2 3.37Å; L101-E105 VanDerWaalsContact CA-OE2 3.31Å; L101-E105 WeakPolarHBondContact CA-OE2 3.21Å; T102-E105 PolarHBondContact N-OE2 2.65Å; T102-E105 VanDerWaalsContact N-OE2 3.1Å; T102-E105 WeakPolarHBondContact O-CB 3.38Å; T102-E105 PolarHBondContact O-N 2.84Å; T102-E105 WeakPolarHBondContact OG1-CG 3.4Å; E105-P107 WeakPolarHBondContact O-CD 3.48Å; E105-V110 HydrophobicContact CB-CG2 4.49Å | ||
| 106 | Y | 94.4 | Very high | 86.2 | Confident | 73 Ų | 73 | 55.4 Ų | 55.4 | 29% | 0.286 | 29% | 0.29 | S | S | . | . | trans | -108.1 | 104.6 | -175.5 | -59.4 | -91.4 | 0 | 0 | 0 | 108.9 | S61 S62 S63 R64 D104 L108 L109 V110 | S61-Y106 WeakPolarHBondContact O-CD1 3.45Å; S62-Y106 VanDerWaalsContact O-CE1 3.32Å; S62-Y106 WeakPolarHBondContact O-CE1 3.43Å; S63-Y106 WeakPolarHBondContact O-CD1 3.39Å; R64-Y106 HydrophobicContact CG-CD1 4.19Å; R64-Y106 HydrophobicContact CG-CE1 3.53Å; R64-Y106 PolarHBondContact NE-OH 2.78Å; D104-Y106 WeakPolarHBondContact O-CE2 3.26Å; Y106-L108 VanDerWaalsContact C-N 3.26Å; Y106-L108 PolarHBondContact O-N 3.36Å; Y106-L108 VanDerWaalsContact O-N 3.13Å; Y106-L109 HydrophobicContact CG-CD1 4.26Å; Y106-L109 PolarHBondContact O-N 2.99Å; Y106-V110 PolarHBondContact O-N 3.42Å | ||
| 107 | P | 93.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57 | -34.7 | -168.5 | -29.5 | 37.6 | 0 | 0 | 0 | 114.3 | M41 F43 S63 V68 L101 E105 V110 Q111 | M41-P107 HydrophobicContact CE-CB 3.67Å; M41-P107 WeakPolarHBondContact CE-O 3.5Å; M41-P107 HydrophobicContact SD-CB 4Å; F43-P107 HydrophobicContact CZ-CB 4.2Å; S63-P107 WeakPolarHBondContact O-CD 3.47Å; V68-P107 HydrophobicContact CB-CG 4.29Å; V68-P107 HydrophobicContact CG1-CG 4.32Å; V68-P107 HydrophobicContact CG2-CG 4.2Å; L101-P107 HydrophobicContact CD2-CB 4.39Å; L101-P107 HydrophobicContact CD2-CG 4.21Å; E105-P107 WeakPolarHBondContact O-CD 3.48Å; P107-V110 PolarHBondContact O-N 2.82Å; P107-Q111 WeakPolarHBondContact O-CB 3.43Å; P107-Q111 PolarHBondContact O-N 3.31Å |
| 108 | L | 92.4 | Very high | 85.8 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.8 | -37.3 | 178.6 | -164.3 | 73.4 | 0 | 0 | 0 | 112.5 | L28 F37 M41 V59 Y106 Q111 L112 | L28-L108 HydrophobicContact CD2-CD1 3.87Å; L28-L108 HydrophobicContact CD2-CG 4.49Å; F37-L108 HydrophobicContact CD2-CD2 3.64Å; F37-L108 HydrophobicContact CE2-CD2 3.55Å; F37-L108 HydrophobicContact CE2-CG 3.98Å; F37-L108 HydrophobicContact CZ-CD2 4.49Å; F37-L108 WeakPolarHBondContact O-CD2 3.2Å; M41-L108 HydrophobicContact CG-CD1 3.6Å; M41-L108 HydrophobicContact SD-CB 3.93Å; M41-L108 HydrophobicContact SD-CD1 3.71Å; M41-L108 HydrophobicContact SD-CG 4.46Å; V59-L108 HydrophobicContact CG1-CB 4.39Å; Y106-L108 VanDerWaalsContact C-N 3.26Å; Y106-L108 PolarHBondContact O-N 3.36Å; Y106-L108 VanDerWaalsContact O-N 3.13Å; L108-Q111 PolarHBondContact O-N 2.64Å; L108-L112 WeakPolarHBondContact O-CB 3.35Å; L108-L112 PolarHBondContact O-N 3.41Å |
| 109 | L | 90.6 | Very high | 85.2 | Confident | 69 Ų | 69 | 55.6 Ų | 55.6 | 36% | 0.361 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -72.3 | -35.7 | 175.1 | -74.5 | 168.2 | 0 | 0 | 0 | 111.8 | F37 Y106 Q111 S113 | F37-L109 HydrophobicContact CE1-CD2 4.02Å; F37-L109 HydrophobicContact CZ-CD2 3.74Å; F37-L109 HydrophobicContact CZ-CG 4.47Å; Y106-L109 HydrophobicContact CG-CD1 4.26Å; Y106-L109 PolarHBondContact O-N 2.99Å; L109-Q111 VanDerWaalsContact C-N 3.34Å; L109-S113 PolarHBondContact O-N 3.11Å; L109-S113 VanDerWaalsContact O-N 3.15Å |
| 110 | V | 91.1 | Very high | 84.3 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 11% | 0.109 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 169.8 | 176.6 | 0 | 0 | 0 | 0 | 109.6 | E92 L101 E105 Y106 P107 S113 W114 F123 | E92-V110 WeakPolarHBondContact OE1-CG1 3.28Å; L101-V110 HydrophobicContact CD2-CG2 4.31Å; E105-V110 HydrophobicContact CB-CG2 4.49Å; Y106-V110 PolarHBondContact O-N 3.42Å; P107-V110 PolarHBondContact O-N 2.82Å; V110-S113 WeakPolarHBondContact O-CB 3.45Å; V110-S113 PolarHBondContact O-N 3.01Å; V110-S113 PolarHBondContact O-OG 3.11Å; V110-W114 VanDerWaalsContact O-CD1 3.29Å; V110-F123 HydrophobicContact CB-CE1 4.49Å; V110-F123 HydrophobicContact CB-CZ 4.23Å; V110-F123 HydrophobicContact CG1-CE1 3.99Å; V110-F123 HydrophobicContact CG1-CZ 3.96Å |
| 111 | Q | 90.2 | Very high | 83.8 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.019 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 179.1 | -149.6 | -164.9 | -15.3 | 0 | 0 | 112.4 | W18 M41 P107 L108 L109 S113 W114 F123 | W18-Q111 HydrophobicContact CH2-CB 4.33Å; W18-Q111 HydrophobicContact CH2-CG 3.65Å; W18-Q111 HydrophobicContact CZ2-CG 4.27Å; W18-Q111 WeakPolarHBondContact CZ3-O 3.16Å; M41-Q111 HydrophobicContact CE-CB 4.1Å; M41-Q111 HydrophobicContact CE-CG 4.49Å; P107-Q111 WeakPolarHBondContact O-CB 3.43Å; P107-Q111 PolarHBondContact O-N 3.31Å; L108-Q111 PolarHBondContact O-N 2.64Å; L109-Q111 VanDerWaalsContact C-N 3.34Å; Q111-S113 PolarHBondContact O-N 3.07Å; Q111-W114 HydrophobicContact CG-CD2 3.97Å; Q111-W114 HydrophobicContact CG-CE3 3.67Å; Q111-W114 HydrophobicContact CG-CH2 3.88Å; Q111-W114 HydrophobicContact CG-CZ2 4.18Å; Q111-W114 HydrophobicContact CG-CZ3 3.62Å; Q111-W114 WeakPolarHBondContact O-CB 3.39Å; Q111-W114 VanDerWaalsContact O-CG 3.27Å; Q111-W114 PolarHBondContact O-N 2.89Å; Q111-F123 HydrophobicContact CB-CE2 3.87Å; Q111-F123 HydrophobicContact CB-CZ 4.15Å; Q111-F123 HydrophobicContact CG-CE2 3.8Å; Q111-F123 HydrophobicContact CG-CZ 4.41Å |
| 112 | L | 88.9 | Confident | 83.6 | Confident | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.7 | -29.4 | 177 | -175.6 | 60.8 | 0 | 0 | 0 | 112.3 | Q14 W18 L28 F37 L108 W114 | Q14-L112 HydrophobicContact CB-CD1 4.28Å; Q14-L112 HydrophobicContact CB-CD2 4.3Å; Q14-L112 HydrophobicContact CB-CG 4.48Å; W18-L112 HydrophobicContact CB-CD1 3.97Å; W18-L112 HydrophobicContact CD2-CD1 4.15Å; W18-L112 HydrophobicContact CE3-CD1 3.88Å; W18-L112 HydrophobicContact CG-CD1 4.22Å; L28-L112 HydrophobicContact CD1-CD1 3.94Å; F37-L112 HydrophobicContact CE1-CD2 4.48Å; F37-L112 HydrophobicContact CE2-CD2 4.05Å; F37-L112 HydrophobicContact CZ-CD2 3.62Å; L108-L112 WeakPolarHBondContact O-CB 3.35Å; L108-L112 PolarHBondContact O-N 3.41Å; L112-W114 PolarHBondContact O-N 3.03Å |
| 113 | S | 84.4 | Confident | 83.7 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 28% | 0.28 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.1 | -19.7 | 175.4 | 85 | 0 | 0 | 0 | 0 | 114 | L109 V110 Q111 S115 K116 L117 | L109-S113 PolarHBondContact O-N 3.11Å; L109-S113 VanDerWaalsContact O-N 3.15Å; V110-S113 WeakPolarHBondContact O-CB 3.45Å; V110-S113 PolarHBondContact O-N 3.01Å; V110-S113 PolarHBondContact O-OG 3.11Å; Q111-S113 PolarHBondContact O-N 3.07Å; S113-S115 VanDerWaalsContact C-N 3.34Å; S113-S115 PolarHBondContact O-N 2.78Å; S113-K116 PolarHBondContact O-N 3.21Å; S113-L117 VanDerWaalsContact O-CG 3.3Å; S113-L117 WeakPolarHBondContact O-CG 3.2Å; S113-L117 PolarHBondContact O-N 3.32Å; S113-L117 VanDerWaalsContact O-N 3.11Å |
| 114 | W | 84.5 | Confident | 83.9 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.6 | -40.1 | -178 | -67.6 | -3.2 | 0 | 0 | 0 | 112.6 | E92 H94 V110 Q111 L112 L117 G118 R119 G121 F123 | E92-W114 PolarHBondContact OE1-NE1 2.86Å; H94-W114 AromaticContact CE1-NE1 3.64Å; V110-W114 VanDerWaalsContact O-CD1 3.29Å; Q111-W114 HydrophobicContact CG-CD2 3.97Å; Q111-W114 HydrophobicContact CG-CE3 3.67Å; Q111-W114 HydrophobicContact CG-CH2 3.88Å; Q111-W114 HydrophobicContact CG-CZ2 4.18Å; Q111-W114 HydrophobicContact CG-CZ3 3.62Å; Q111-W114 WeakPolarHBondContact O-CB 3.39Å; Q111-W114 VanDerWaalsContact O-CG 3.27Å; Q111-W114 PolarHBondContact O-N 2.89Å; L112-W114 PolarHBondContact O-N 3.03Å; W114-L117 PolarHBondContact O-N 3.14Å; W114-G118 PolarHBondContact O-N 2.93Å; W114-R119 WeakPolarHBondContact CB-O 3.45Å; W114-R119 PolarHBondContact O-N 2.86Å; W114-G121 VanDerWaalsContact CH2-O 3.22Å; W114-G121 WeakPolarHBondContact CH2-O 3.44Å; W114-G121 WeakPolarHBondContact CZ3-O 3.38Å; W114-F123 HydrophobicContact CH2-CD2 4.07Å; W114-F123 AromaticContact CH2-CE2 3.7Å; W114-F123 HydrophobicContact CH2-CE2 3.7Å; W114-F123 HydrophobicContact CH2-CZ 4.12Å; W114-F123 HydrophobicContact CZ2-CD2 4.23Å; W114-F123 HydrophobicContact CZ2-CE1 4.08Å; W114-F123 AromaticContact CZ2-CE2 3.6Å; W114-F123 HydrophobicContact CZ2-CE2 3.6Å; W114-F123 AromaticContact CZ2-CZ 3.52Å; W114-F123 HydrophobicContact CZ2-CZ 3.52Å |
| 115 | S | 72.6 | Confident | 84 | Confident | 41 Ų | 41 | 42.5 Ų | 42.5 | 29% | 0.287 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.7 | -50.8 | 176.1 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | S113 L117 G118 | S113-S115 VanDerWaalsContact C-N 3.34Å; S113-S115 PolarHBondContact O-N 2.78Å; S115-L117 PolarHBondContact O-N 3.07Å; S115-G118 PolarHBondContact O-N 2.89Å; S115-G118 VanDerWaalsContact O-N 3.16Å |
| 116 | K | 69.4 | Low | 83.8 | Confident | 129 Ų | 129 | 42.1 Ų | 42.1 | 56% | 0.561 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -59.4 | -27.7 | 177 | -80.8 | 179.3 | 161.6 | 172.7 | 0 | 114.3 | Q14 S113 | Q14-K116 VanDerWaalsContact NE2-NZ 3.12Å; S113-K116 PolarHBondContact O-N 3.21Å |
| 117 | L | 68.8 | Low | 83.3 | Confident | 88 Ų | 88 | 41.4 Ų | 41.4 | 46% | 0.461 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -97.2 | -4.3 | -176.9 | -66.1 | 171 | 0 | 0 | 0 | 113.1 | S113 W114 S115 R119 | S113-L117 VanDerWaalsContact O-CG 3.3Å; S113-L117 WeakPolarHBondContact O-CG 3.2Å; S113-L117 PolarHBondContact O-N 3.32Å; S113-L117 VanDerWaalsContact O-N 3.11Å; W114-L117 PolarHBondContact O-N 3.14Å; S115-L117 PolarHBondContact O-N 3.07Å; L117-R119 VanDerWaalsContact C-N 3.27Å; L117-R119 HydrophobicContact CB-CB 4.43Å; L117-R119 HydrophobicContact CB-CG 3.85Å; L117-R119 PolarHBondContact O-N 2.93Å |
| 118 | G | 66.1 | Low | 82.5 | Confident | 75 Ų | 75 | 43.1 Ų | 43.1 | 77% | 0.773 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 33.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | W114 S115 | W114-G118 PolarHBondContact O-N 2.93Å; S115-G118 PolarHBondContact O-N 2.89Å; S115-G118 VanDerWaalsContact O-N 3.16Å |
| 119 | R | 69.9 | Low | 81.2 | Confident | 120 Ų | 120 | 48.2 Ų | 48.2 | 45% | 0.453 | 27% | 0.265 | S | S | . | . | trans | -110 | 148.7 | -174.4 | -65.5 | 178.5 | -168.4 | 176.3 | 5.6 | 111.6 | W114 L117 | W114-R119 WeakPolarHBondContact CB-O 3.45Å; W114-R119 PolarHBondContact O-N 2.86Å; L117-R119 VanDerWaalsContact C-N 3.27Å; L117-R119 HydrophobicContact CB-CB 4.43Å; L117-R119 HydrophobicContact CB-CG 3.85Å; L117-R119 PolarHBondContact O-N 2.93Å | ||
| 120 | E | 69.6 | Low | 79.1 | Confident | 104 Ų | 104 | 51.4 Ų | 51.4 | 49% | 0.486 | 28% | 0.282 | S | S | . | . | trans | -117.5 | 145.7 | 165.9 | -62.7 | -174.4 | 146.7 | 0 | 0 | 108.8 | H94 P95 I261 | H94-E120 PolarHBondContact ND1-O 3.13Å; P95-E120 WeakPolarHBondContact CD-O 3.32Å; E120-I261 HydrophobicContact CB-CD1 4.22Å; E120-I261 HydrophobicContact CG-CD1 4.14Å; E120-I261 HydrophobicContact CG-CG1 4.27Å; E120-I261 WeakPolarHBondContact OE1-CD1 3.45Å; E120-I261 WeakPolarHBondContact OE1-CG2 3.35Å; E120-I261 VanDerWaalsContact OE2-CD1 3.31Å; E120-I261 WeakPolarHBondContact OE2-CD1 3.25Å | ||
| 121 | G | 80.8 | Confident | 76.6 | Confident | 10 Ų | 10 | 56.1 Ų | 56.1 | 10% | 0.103 | 32% | 0.316 | C | S | . | . | trans | -164.5 | 178.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | H93 W114 T260 | H93-G121 CarbonylContact O-C 3.47Å; H93-G121 WeakPolarHBondContact O-CA 3.48Å; W114-G121 VanDerWaalsContact CH2-O 3.22Å; W114-G121 WeakPolarHBondContact CH2-O 3.44Å; W114-G121 WeakPolarHBondContact CZ3-O 3.38Å; G121-T260 PolarHBondContact O-OG1 3.44Å; G121-T260 VanDerWaalsContact O-OG1 3.09Å | ||
| 122 | K | 87.5 | Confident | 73.8 | Confident | 61 Ų | 61 | 59 Ų | 59 | 27% | 0.265 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 142.2 | 176.3 | 62 | -175 | 178.7 | -179 | 0 | 110.5 | F44 H93 V124 | F44-K122 HydrophobicContact CD2-CB 4.01Å; F44-K122 HydrophobicContact CE2-CB 3.78Å; H93-K122 HydrophobicContact CB-CD 4.5Å; H93-K122 HydrophobicContact CB-CG 3.69Å; H93-K122 PolarHBondContact N-O 3.48Å; H93-K122 PolarHBondContact O-N 2.66Å; K122-V124 HydrophobicContact CD-CG2 4.41Å; K122-V124 HydrophobicContact CG-CG2 4.09Å |
| 123 | F | 93.6 | Very high | 71 | Confident | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.009 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 125.2 | 172.5 | -64 | -71.1 | 0 | 0 | 0 | 110.4 | M41 F43 F44 I90 Y91 E92 L101 V110 Q111 W114 | M41-F123 HydrophobicContact CE-CD2 3.6Å; M41-F123 HydrophobicContact CE-CE2 3.23Å; M41-F123 HydrophobicContact CE-CZ 4.05Å; F43-F123 HydrophobicContact CD1-CB 3.37Å; F43-F123 HydrophobicContact CD1-CG 4.2Å; F43-F123 HydrophobicContact CE1-CB 3.56Å; F43-F123 HydrophobicContact CE1-CD2 4.12Å; F43-F123 AromaticContact CE1-CG 3.89Å; F43-F123 HydrophobicContact CE1-CG 3.89Å; F43-F123 HydrophobicContact CG-CB 4.35Å; F44-F123 PolarHBondContact N-O 3.37Å; I90-F123 HydrophobicContact CG2-CB 4.05Å; I90-F123 HydrophobicContact CG2-CD1 4.03Å; I90-F123 HydrophobicContact CG2-CG 4.4Å; Y91-F123 CarbonylContact O-C 3.41Å; Y91-F123 WeakPolarHBondContact O-CA 3.37Å; E92-F123 HydrophobicContact CB-CD1 4.31Å; E92-F123 HydrophobicContact CB-CE1 4.21Å; L101-F123 HydrophobicContact CD1-CD1 4.32Å; L101-F123 HydrophobicContact CD1-CE1 4.11Å; L101-F123 HydrophobicContact CD2-CD1 4.32Å; L101-F123 HydrophobicContact CD2-CE1 3.93Å; V110-F123 HydrophobicContact CB-CE1 4.49Å; V110-F123 HydrophobicContact CB-CZ 4.23Å; V110-F123 HydrophobicContact CG1-CE1 3.99Å; V110-F123 HydrophobicContact CG1-CZ 3.96Å; Q111-F123 HydrophobicContact CB-CE2 3.87Å; Q111-F123 HydrophobicContact CB-CZ 4.15Å; Q111-F123 HydrophobicContact CG-CE2 3.8Å; Q111-F123 HydrophobicContact CG-CZ 4.41Å; W114-F123 HydrophobicContact CH2-CD2 4.07Å; W114-F123 AromaticContact CH2-CE2 3.7Å; W114-F123 HydrophobicContact CH2-CE2 3.7Å; W114-F123 HydrophobicContact CH2-CZ 4.12Å; W114-F123 HydrophobicContact CZ2-CD2 4.23Å; W114-F123 HydrophobicContact CZ2-CE1 4.08Å; W114-F123 AromaticContact CZ2-CE2 3.6Å; W114-F123 HydrophobicContact CZ2-CE2 3.6Å; W114-F123 AromaticContact CZ2-CZ 3.52Å; W114-F123 HydrophobicContact CZ2-CZ 3.52Å |
| 124 | V | 91.7 | Very high | 68.3 | Low | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 115.8 | -178 | -170.2 | 0 | 0 | 0 | 0 | 109.5 | F44 Q46 F52 Y91 H93 K122 K126 | F44-V124 HydrophobicContact CB-CG2 4.39Å; F44-V124 CarbonylContact O-C 3.35Å; F44-V124 WeakPolarHBondContact O-CA 3.25Å; Q46-V124 HydrophobicContact CB-CG1 3.89Å; F52-V124 HydrophobicContact CD1-CG1 4.49Å; F52-V124 HydrophobicContact CE1-CG1 3.98Å; Y91-V124 PolarHBondContact N-O 2.89Å; Y91-V124 PolarHBondContact O-N 3.48Å; H93-V124 HydrophobicContact CB-CG2 4.44Å; H93-V124 VanDerWaalsContact CD2-CG2 3.42Å; H93-V124 WeakPolarHBondContact CD2-CG2 3.4Å; K122-V124 HydrophobicContact CD-CG2 4.41Å; K122-V124 HydrophobicContact CG-CG2 4.09Å; V124-K126 HydrophobicContact CB-CG 4.48Å; V124-K126 HydrophobicContact CG1-CD 4.44Å; V124-K126 HydrophobicContact CG1-CG 3.86Å |
| 125 | L | 92.1 | Very high | 65.7 | Low | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 127.7 | 167.1 | -170.6 | 73.7 | 0 | 0 | 0 | 108.4 | F44 L45 Q46 A69 L72 F76 I78 F88 I90 | F44-L125 PolarHBondContact O-N 3.17Å; L45-L125 HydrophobicContact CD1-CB 4.46Å; L45-L125 HydrophobicContact CD1-CD2 4.24Å; Q46-L125 PolarHBondContact N-O 2.67Å; Q46-L125 VanDerWaalsContact N-O 3.09Å; A69-L125 HydrophobicContact CB-CD1 4.41Å; L72-L125 HydrophobicContact CB-CD2 3.96Å; F76-L125 HydrophobicContact CD2-CD2 4.09Å; I78-L125 HydrophobicContact CD1-CD2 3.98Å; F88-L125 HydrophobicContact CB-CD1 3.96Å; F88-L125 HydrophobicContact CB-CG 4.3Å; F88-L125 HydrophobicContact CD1-CD2 4.18Å; F88-L125 HydrophobicContact CD1-CG 4.02Å; I90-L125 HydrophobicContact CG1-CD1 3.94Å |
| 126 | K | 88.4 | Confident | 63.5 | Low | 40 Ų | 40 | 88.1 Ų | 88.1 | 17% | 0.174 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 153.9 | 177 | -50.6 | -168.5 | -170.1 | -149.8 | 0 | 111.3 | Q46 F88 G89 Y91 H93 V124 | Q46-K126 HydrophobicContact CB-CG 4.33Å; Q46-K126 VanDerWaalsContact OE1-CE 3.28Å; F88-K126 CarbonylContact C-O 3.5Å; F88-K126 VanDerWaalsContact CA-O 3.26Å; F88-K126 WeakPolarHBondContact CA-O 3.5Å; F88-K126 WeakPolarHBondContact CD1-O 3.44Å; G89-K126 PolarHBondContact N-O 2.88Å; G89-K126 PolarHBondContact O-N 2.89Å; Y91-K126 HydrophobicContact CD2-CB 3.85Å; Y91-K126 HydrophobicContact CD2-CD 3.93Å; Y91-K126 HydrophobicContact CD2-CG 3.73Å; Y91-K126 HydrophobicContact CE2-CB 3.78Å; Y91-K126 HydrophobicContact CE2-CD 4.26Å; Y91-K126 HydrophobicContact CE2-CG 4.14Å; Y91-K126 HydrophobicContact CG-CD 4.2Å; Y91-K126 HydrophobicContact CG-CG 4.38Å; H93-K126 PolarHBondContact CE1-NZ 3.03Å; H93-K126 WeakPolarHBondContact NE2-CE 3.48Å; H93-K126 PolarHBondContact NE2-NZ 3.03Å; V124-K126 HydrophobicContact CB-CG 4.48Å; V124-K126 HydrophobicContact CG1-CD 4.44Å; V124-K126 HydrophobicContact CG1-CG 3.86Å |
| 127 | L | 83.6 | Confident | 61.5 | Low | 58 Ų | 58 | 89.1 Ų | 89.1 | 30% | 0.304 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 134.3 | 164.1 | -152.2 | 71.5 | 0 | 0 | 0 | 110.7 | K86 F88 | K86-L127 HydrophobicContact CB-CD1 3.62Å; K86-L127 HydrophobicContact CB-CG 4.41Å; K86-L127 HydrophobicContact CD-CD1 3.69Å; K86-L127 HydrophobicContact CD-CD2 3.88Å; K86-L127 HydrophobicContact CD-CG 4.24Å; K86-L127 HydrophobicContact CG-CD1 4.31Å; F88-L127 HydrophobicContact CD1-CD1 4.35Å; F88-L127 HydrophobicContact CD2-CD1 4.36Å; F88-L127 HydrophobicContact CE1-CB 4.47Å; F88-L127 HydrophobicContact CE1-CD1 3.75Å; F88-L127 HydrophobicContact CE2-CD1 3.76Å; F88-L127 HydrophobicContact CZ-CD1 3.41Å; F88-L127 VanDerWaalsContact CZ-CD1 3.41Å |
| 128 | E | 77 | Confident | 59.5 | Low | 35 Ų | 35 | 92.1 Ų | 92.1 | 16% | 0.164 | 51% | 0.508 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 134.6 | 166.6 | -65.7 | -167.6 | -143.9 | 0 | 0 | 109.7 | R87 R100 N130 | R87-E128 HydrophobicContact CB-CB 4.07Å; R87-E128 HydrophobicContact CB-CG 3.96Å; R87-E128 PolarHBondContact O-N 2.77Å; R100-E128 IonicContact CZ-OE1 2.71Å; R100-E128 IonicContact CZ-OE2 2.73Å; R100-E128 IonicContact NH1-OE1 3.74Å; R100-E128 PolarHBondContact NH1-OE1 3.29Å; R100-E128 IonicContact NH1-OE2 2.96Å; R100-E128 PolarHBondContact NH1-OE2 3.39Å; R100-E128 VanDerWaalsContact NH2-CD 3.25Å; R100-E128 IonicContact NH2-OE1 3.83Å; R100-E128 PolarHBondContact NH2-OE1 2.95Å; R100-E128 IonicContact NH2-OE2 3.43Å; R100-E128 PolarHBondContact NH2-OE2 3.49Å; E128-N130 PolarHBondContact O-N 3.49Å |
| 129 | P | 65.2 | Low | 57.7 | Low | 108 Ų | 108 | 93.4 Ų | 93.4 | 70% | 0.701 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 123.6 | 169.6 | 28.1 | -32.4 | 0 | 0 | 0 | 109 | S131 | P129-S131 PolarHBondContact O-N 2.93Š|
| 130 | N | 45.9 | Very low | 55.7 | Low | 137 Ų | 137 | 96.3 Ų | 96.3 | 73% | 0.733 | 52% | 0.523 | S | S | * | . | trans | -56.7 | 104.6 | 180 | -82.1 | -9 | 0 | 0 | 0 | 111.1 | E128 G132 | E128-N130 PolarHBondContact O-N 3.49Å; N130-G132 PolarHBondContact O-N 3.36Å | ||
| 131 | S | 39 | Very low | 53.7 | Low | 116 Ų | 116 | 99 Ų | 99 | 81% | 0.811 | 54% | 0.539 | S | S | * | . | trans | -64.7 | 115.8 | 168.3 | 55.7 | 0 | 0 | 0 | 0 | 108.9 | P129 | P129-S131 PolarHBondContact O-N 2.93Š| ||
| 132 | G | 30.9 | Very low | 51.2 | Low | 66 Ų | 66 | 106.6 Ų | 106.6 | 68% | 0.68 | 57% | 0.572 | S | S | * | * | trans | -53.6 | 146.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N130 I134 | N130-G132 PolarHBondContact O-N 3.36Å; G132-I134 PolarHBondContact O-N 3.24Å | ||
| 133 | H | 30.3 | Very low | 48.4 | Very low | 177 Ų | 177 | 110.7 Ų | 110.7 | 82% | 0.819 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -73.8 | 75.8 | -167.4 | -159.8 | -63.3 | 0 | 0 | 0 | 113.1 | ||
| 134 | I | 27.8 | Very low | 45.3 | Very low | 160 Ų | 160 | 113.7 Ų | 113.7 | 82% | 0.821 | 63% | 0.628 | S | S | * | * | trans | -121.7 | 59.5 | 173.3 | -42.8 | -178 | 0 | 0 | 0 | 111.3 | G132 | G132-I134 PolarHBondContact O-N 3.24Š| ||
| 135 | Q | 28.9 | Very low | 42.4 | Very low | 177 Ų | 177 | 119.5 Ų | 119.5 | 83% | 0.827 | 66% | 0.664 | S | S | * | * | trans | -143 | 90.5 | 156.8 | -79 | -160.5 | -10.3 | 0 | 0 | 111 | ||||
| 136 | K | 27.3 | Very low | 39.4 | Very low | 188 Ų | 188 | 126 Ų | 126 | 82% | 0.817 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -175.2 | 160.8 | 148.2 | -102.9 | 160.7 | -174.2 | -177.9 | 0 | 108.6 | ||
| 137 | N | 26.4 | Very low | 36.6 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | trans | 68.2 | 58.1 | 174.2 | -53.1 | 7.5 | 0 | 0 | 0 | 117.1 | ||||
| 138 | V | 28.1 | Very low | 34.1 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 92% | 0.921 | 74% | 0.741 | S | S | * | * | trans | -138.1 | 81.3 | 135.8 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 139 | S | 28.3 | Very low | 31.9 | Very low | 101 Ų | 101 | 138.5 Ų | 138.5 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | -116.3 | 123 | 156.5 | 50.7 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 140 | E | 27 | Very low | 30.5 | Very low | 182 Ų | 182 | 139.8 Ų | 139.8 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | 61.1 | 114.1 | 173.8 | -57 | 177.5 | 144.1 | 0 | 0 | 116.5 | ||||
| 141 | I | 27.4 | Very low | 30.3 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 82% | 0.815 | 76% | 0.759 | S | S | * | * | -164.3 | 127.9 | 111.6 | -94.8 | 154.1 | 0 | 0 | 0 | 107.4 | |||||
| 142 | Q | 29.3 | Very low | 30.1 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | trans | -96.6 | 135.5 | 166.3 | -66 | 179.7 | -7 | 0 | 0 | 108.4 | ||||
| 143 | N | 27.8 | Very low | 30.3 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | 64.2 | 169.9 | 162.2 | -47.1 | -36.9 | 0 | 0 | 0 | 116.3 | ||||
| 144 | G | 29.3 | Very low | 30.5 | Very low | 64 Ų | 64 | 138.4 Ų | 138.4 | 66% | 0.66 | 75% | 0.747 | S | S | * | * | trans | 100.7 | 63.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 145 | T | 29.6 | Very low | 30.7 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | 28.2 | 139.2 | 128.6 | 55.7 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 146 | N | 29.5 | Very low | 30.9 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | 96.9 | 113.6 | 133.6 | -77 | 3.8 | 0 | 0 | 0 | 122.3 | ||||
| 147 | L | 29.8 | Very low | 31.1 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 72% | 0.717 | 73% | 0.727 | S | S | * | * | 93.5 | 112.1 | 128.4 | -64 | 168.3 | 0 | 0 | 0 | 121.4 | |||||
| 148 | L | 30.4 | Very low | 31.2 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 66% | 0.66 | 73% | 0.73 | S | S | * | * | 78.7 | 115.9 | 127.5 | -63.1 | 173.7 | 0 | 0 | 0 | 121.4 | |||||
| 149 | N | 32.1 | Very low | 31.3 | Very low | 134 Ų | 134 | 124.2 Ų | 124.2 | 72% | 0.717 | 72% | 0.716 | S | S | * | * | 65.1 | 146.3 | 118.9 | -66.6 | 27.8 | 0 | 0 | 0 | 121.1 | |||||
| 150 | D | 35.9 | Very low | 31.4 | Very low | 134 Ų | 134 | 124.7 Ų | 124.7 | 72% | 0.717 | 72% | 0.72 | S | S | * | * | cis | -171.1 | -161.2 | -22.1 | -141.3 | 17.3 | 0 | 0 | 0 | 106.8 | ||||
| 151 | P | 40.5 | Very low | 31.4 | Very low | 82 Ų | 82 | 122.1 Ų | 122.1 | 53% | 0.532 | 72% | 0.716 | S | S | . | * | -120.5 | -158.1 | -78.8 | 30.9 | -9.6 | 0 | 0 | 0 | 112.4 | |||||
| 152 | N | 35.7 | Very low | 31.7 | Very low | 128 Ų | 128 | 121.9 Ų | 121.9 | 68% | 0.684 | 72% | 0.715 | S | S | * | * | trans | 87.3 | 133.5 | 160 | -53.1 | -43.8 | 0 | 0 | 0 | 117.1 | ||||
| 153 | N | 35.5 | Very low | 31.6 | Very low | 120 Ų | 120 | 120 Ų | 120 | 64% | 0.642 | 71% | 0.71 | S | S | * | * | cis | -152.2 | 133.3 | -8.2 | -120.7 | -22.5 | 0 | 0 | 0 | 112.2 | ||||
| 154 | N | 33.5 | Very low | 31.5 | Very low | 138 Ų | 138 | 117.5 Ų | 117.5 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | 31.9 | 145.9 | 120.8 | -73.9 | -36.5 | 0 | 0 | 0 | 120.7 | |||||
| 155 | S | 33 | Very low | 31.6 | Very low | 92 Ų | 92 | 124.4 Ų | 124.4 | 64% | 0.643 | 72% | 0.716 | S | S | * | * | cis | -174.1 | -172.2 | -4.8 | 59.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 156 | N | 32.8 | Very low | 31.5 | Very low | 126 Ų | 126 | 125 Ų | 125 | 67% | 0.674 | 72% | 0.72 | S | S | * | * | cis | -158.6 | 144.2 | 10.5 | -132.2 | -9.4 | 0 | 0 | 0 | 111.1 | ||||
| 157 | V | 31.7 | Very low | 31.5 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | 37.5 | 138.4 | 121 | 171.5 | 0 | 0 | 0 | 0 | 119 | |||||
| 158 | C | 28 | Very low | 31.5 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 86% | 0.858 | 73% | 0.733 | S | S | * | * | cis | -153.1 | 167.3 | 28.9 | -142.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 159 | G | 29 | Very low | 31.3 | Very low | 61 Ų | 61 | 132.9 Ų | 132.9 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | cis | 152 | 168.9 | -5.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 160 | S | 31.4 | Very low | 31.4 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | trans | 61.7 | 116.3 | -174.1 | -98.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 161 | V | 27.7 | Very low | 31 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | cis | 72.1 | 119.7 | 23.1 | -166.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 162 | I | 32.1 | Very low | 30.3 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | -163 | 140.5 | 132.9 | -99.8 | 153.7 | 0 | 0 | 0 | 110.7 | ||||
| 163 | N | 28.1 | Very low | 29.8 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | -12.7 | 131.2 | 175.4 | -62.1 | -51 | 0 | 0 | 0 | 119.8 | ||||
| 164 | S | 25.8 | Very low | 29.3 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | cis | 78.2 | 112.7 | 46.1 | 90.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 165 | K | 30.3 | Very low | 28.9 | Very low | 209 Ų | 209 | 144.5 Ų | 144.5 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | trans | -170.8 | 108.9 | 141 | -105.9 | 153.4 | -171.4 | 168.5 | 0 | 111.8 | ||||
| 166 | T | 29.5 | Very low | 28.6 | Very low | 136 Ų | 136 | 151.8 Ų | 151.8 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -66.7 | 150.8 | 171.3 | 42.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 167 | R | 29.1 | Very low | 28.3 | Very low | 231 Ų | 231 | 157.2 Ų | 157.2 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -154.3 | 113.1 | 145.2 | -110.6 | 168.2 | -158.8 | -147.1 | 1.1 | 111 | ||||
| 168 | L | 29.8 | Very low | 28.1 | Very low | 160 Ų | 160 | 160.7 Ų | 160.7 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -70.4 | 149.2 | 168.2 | -70.5 | 156.3 | 0 | 0 | 0 | 110.1 | ||||
| 169 | F | 26.1 | Very low | 28 | Very low | 172 Ų | 172 | 164.4 Ų | 164.4 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | -142.5 | 98.7 | 158.6 | -90.7 | -65.2 | 0 | 0 | 0 | 111.6 | ||||
| 170 | P | 34.7 | Very low | 28.1 | Very low | 109 Ų | 109 | 169 Ų | 169 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | trans | -81.3 | 141.9 | 160.3 | 33.5 | -31.3 | 0 | 0 | 0 | 109.8 | ||||
| 171 | R | 25.6 | Very low | 28.1 | Very low | 188 Ų | 188 | 169.4 Ų | 169.4 | 71% | 0.709 | 81% | 0.805 | S | S | * | * | trans | -158.3 | 94.5 | 162.6 | -111.8 | 151.6 | -163.4 | -141.4 | -5.4 | 114.4 | N233 | R171-N233 PolarHBondContact NH2-OD1 2.79Š| ||
| 172 | L | 26.3 | Very low | 28.2 | Very low | 151 Ų | 151 | 168.7 Ų | 168.7 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -8.7 | 129.8 | 146.9 | -145 | 77.2 | 0 | 0 | 0 | 116.5 | ||||
| 173 | W | 25 | Very low | 28.4 | Very low | 261 Ų | 261 | 166.5 Ų | 166.5 | 99% | 0.989 | 80% | 0.802 | S | S | * | * | trans | -126 | 97.5 | 153.1 | -88.6 | 69.4 | 0 | 0 | 0 | 108.9 | ||||
| 174 | S | 26.2 | Very low | 28.5 | Very low | 84 Ų | 84 | 168.2 Ų | 168.2 | 59% | 0.587 | 81% | 0.808 | S | S | * | * | trans | -97.4 | 167.3 | 176.5 | 59.5 | 0 | 0 | 0 | 0 | 111.4 | R176 | S174-R176 PolarHBondContact O-N 3.41Š| ||
| 175 | F | 24.2 | Very low | 28.8 | Very low | 188 Ų | 188 | 168.8 Ų | 168.8 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -38.5 | 126.9 | 165.1 | -84.6 | -102.4 | 0 | 0 | 0 | 112.1 | I219 | F175-I219 HydrophobicContact CE2-CD1 4.49Å; F175-I219 HydrophobicContact CZ-CD1 3.78Å | ||
| 176 | R | 27.1 | Very low | 28.9 | Very low | 245 Ų | 245 | 164.7 Ų | 164.7 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -121.9 | 131.9 | 159 | -95.7 | -170.2 | 172.3 | -158.9 | -2.7 | 110.6 | S174 | S174-R176 PolarHBondContact O-N 3.41Š| ||
| 177 | R | 25.6 | Very low | 29.1 | Very low | 239 Ų | 239 | 166.8 Ų | 166.8 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -94.4 | 114.4 | -174.6 | 176.4 | -172 | -66 | 155.5 | -3.8 | 107.7 | ||||
| 178 | E | 27.5 | Very low | 29.3 | Very low | 195 Ų | 195 | 161 Ų | 161 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -65.1 | 145.5 | 171.1 | -70.1 | -166.1 | 129.8 | 0 | 0 | 110.7 | ||||
| 179 | K | 27.9 | Very low | 29.4 | Very low | 205 Ų | 205 | 160.5 Ų | 160.5 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | -138 | 134.1 | 173.6 | -163.5 | -180 | -179.3 | -172.1 | 0 | 108.5 | ||||
| 180 | I | 30.1 | Very low | 29.8 | Very low | 156 Ų | 156 | 158.9 Ų | 158.9 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | -67.7 | 134.8 | -169.5 | -60.1 | 151.6 | 0 | 0 | 0 | 111.6 | ||||
| 181 | T | 31.1 | Very low | 29.6 | Very low | 121 Ų | 121 | 163.4 Ų | 163.4 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | 175.8 | 107.8 | 128.1 | 36.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 182 | S | 29.8 | Very low | 29.9 | Very low | 114 Ų | 114 | 166.7 Ų | 166.7 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 70.7 | 172.4 | 131.2 | 90 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 183 | P | 36.8 | Very low | 30.1 | Very low | 108 Ų | 108 | 169.6 Ų | 169.6 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | -138.9 | -170.5 | -122.5 | 38.5 | -14.7 | 0 | 0 | 0 | 118.1 | |||||
| 184 | M | 29.5 | Very low | 30.4 | Very low | 166 Ų | 166 | 166 Ų | 166 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 74.7 | 149.3 | 166.9 | -62.2 | -178.3 | 73.4 | 0 | 0 | 116.4 | ||||
| 185 | T | 33 | Very low | 30.5 | Very low | 107 Ų | 107 | 168.1 Ų | 168.1 | 66% | 0.656 | 81% | 0.808 | S | S | * | * | cis | -161.7 | 133.3 | -2.5 | 8.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 186 | V | 32.2 | Very low | 30.7 | Very low | 122 Ų | 122 | 167.5 Ų | 167.5 | 74% | 0.739 | 81% | 0.813 | S | S | * | * | 65.9 | 146 | 127.7 | 166.2 | 0 | 0 | 0 | 0 | 124 | |||||
| 187 | K | 32.5 | Very low | 30.6 | Very low | 181 Ų | 181 | 159.1 Ų | 159.1 | 79% | 0.787 | 80% | 0.802 | S | S | * | * | trans | 81.3 | 107.4 | 171.5 | -76.1 | 156.7 | -175.9 | -177.4 | 0 | 116.8 | ||||
| 188 | T | 33.4 | Very low | 30.7 | Very low | 110 Ų | 110 | 154 Ų | 154 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | 76.2 | 132.9 | 62.4 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 189 | D | 33.2 | Very low | 30.7 | Very low | 149 Ų | 149 | 149.7 Ų | 149.7 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | cis | -156.4 | -160.9 | -5.2 | -87.1 | -32.7 | 0 | 0 | 0 | 108 | ||||
| 190 | E | 33.2 | Very low | 30.7 | Very low | 137 Ų | 137 | 145 Ų | 145 | 64% | 0.64 | 80% | 0.799 | S | S | * | * | cis | -162.2 | 178.9 | 13.4 | -150.3 | -150.3 | -176.8 | 0 | 0 | 112.1 | ||||
| 191 | R | 31.6 | Very low | 30.6 | Very low | 204 Ų | 204 | 141 Ų | 141 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | 31.4 | 103.9 | 162.1 | -74.6 | 178.1 | -140.9 | -143.4 | -4.8 | 121.8 | ||||
| 192 | R | 32.4 | Very low | 30.7 | Very low | 258 Ų | 258 | 142.5 Ų | 142.5 | 97% | 0.974 | 81% | 0.805 | S | S | * | * | -173.7 | 138.2 | 119.9 | -104.6 | 169.3 | 178.6 | 165.7 | 1.3 | 110.4 | |||||
| 193 | K | 30.4 | Very low | 30.5 | Very low | 212 Ų | 212 | 139.9 Ų | 139.9 | 92% | 0.922 | 80% | 0.796 | S | S | * | * | trans | -109.5 | 137.4 | 179.7 | -78.4 | -173.3 | 175.1 | -177.7 | 0 | 112.3 | ||||
| 194 | Q | 30.8 | Very low | 30.1 | Very low | 186 Ų | 186 | 143.3 Ų | 143.3 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -141.9 | 152.5 | 157.9 | -78.5 | -172.7 | -26.7 | 0 | 0 | 107.9 | ||||
| 195 | P | 28.7 | Very low | 29.9 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -87.1 | 124.5 | -162.9 | 32 | -34.5 | 0 | 0 | 0 | 113.9 | ||||
| 196 | L | 28.1 | Very low | 29.5 | Very low | 176 Ų | 176 | 143.4 Ų | 143.4 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -162.6 | 120.8 | 174.4 | -106.1 | 155.3 | 0 | 0 | 0 | 111.6 | ||||
| 197 | G | 24.4 | Very low | 29.2 | Very low | 69 Ų | 69 | 143.8 Ų | 143.8 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | 72.4 | 117.8 | 149.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 198 | C | 27.5 | Very low | 29 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | trans | 62.3 | 130 | 141.9 | -61.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 199 | A | 27.9 | Very low | 28.6 | Very low | 105 Ų | 105 | 146.3 Ų | 146.3 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | 73.6 | 125 | 142.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 200 | A | 27.5 | Very low | 28.2 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | trans | -176.5 | 155 | 139.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 201 | G | 29.8 | Very low | 27.9 | Very low | 73 Ų | 73 | 143.5 Ų | 143.5 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | cis | 129.2 | 75.3 | -11.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 202 | V | 32.3 | Very low | 27.8 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 92% | 0.915 | 82% | 0.816 | S | S | * | * | trans | -145.8 | 138.7 | 172.3 | -170.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 203 | G | 25.1 | Very low | 27.4 | Very low | 59 Ų | 59 | 138 Ų | 138 | 61% | 0.608 | 81% | 0.808 | S | S | * | * | cis | 152 | 138.1 | -8.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 204 | L | 28.3 | Very low | 27.2 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 94% | 0.942 | 80% | 0.803 | S | S | * | * | trans | 77.6 | 143.6 | 178.4 | -55 | 164.5 | 0 | 0 | 0 | 116.1 | ||||
| 205 | S | 26 | Very low | 27.1 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | cis | -161 | 154.7 | -19.6 | 69.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 206 | K | 24.6 | Very low | 27 | Very low | 185 Ų | 185 | 135.8 Ų | 135.8 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 73.9 | 123.2 | 145.6 | -76.6 | 169 | -179.7 | 172.8 | 0 | 123.4 | ||||
| 207 | T | 25.5 | Very low | 27 | Very low | 129 Ų | 129 | 131 Ų | 131 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | 92.2 | 137.6 | 133.3 | 47.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 208 | S | 27.9 | Very low | 27.1 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | 69.9 | 111.1 | 166.9 | -63 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 209 | R | 25.9 | Very low | 27.2 | Very low | 240 Ų | 240 | 133 Ų | 133 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | 72.1 | 131.3 | 75.8 | -76.2 | -177.6 | 176.6 | 179.7 | -0.7 | 112.8 | |||||
| 210 | S | 24.5 | Very low | 27.1 | Very low | 90 Ų | 90 | 133.2 Ų | 133.2 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | cis | -175.4 | 174.9 | -1.2 | 47.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 211 | I | 26.3 | Very low | 27.1 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | trans | 72.8 | 104.5 | 162.7 | -57.6 | 156.9 | 0 | 0 | 0 | 113.8 | ||||
| 212 | F | 29.1 | Very low | 27 | Very low | 198 Ų | 198 | 141.3 Ų | 141.3 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | -157 | 150.3 | 56 | -105.8 | -67.4 | 0 | 0 | 0 | 112.6 | |||||
| 213 | N | 25.8 | Very low | 26.8 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -106.8 | 144.1 | 161.7 | -81.9 | -27.7 | 0 | 0 | 0 | 109.2 | ||||
| 214 | T | 26.4 | Very low | 27 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | -178.6 | 166.3 | 127.1 | 28.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 215 | E | 28.1 | Very low | 27.1 | Very low | 166 Ų | 166 | 140 Ų | 140 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | 76.2 | 87 | 158.8 | -52.7 | -124.4 | 134.1 | 0 | 0 | 119.8 | ||||
| 216 | N | 26.7 | Very low | 27.1 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 95% | 0.947 | 78% | 0.778 | S | S | * | * | trans | -74.1 | 123.4 | 145.5 | -74.1 | -57 | 0 | 0 | 0 | 109.4 | ||||
| 217 | S | 27.1 | Very low | 27.5 | Very low | 75 Ų | 75 | 143 Ų | 143 | 52% | 0.524 | 78% | 0.777 | S | S | . | * | trans | -153.6 | 153.7 | 169.6 | -170.6 | 0 | 0 | 0 | 0 | 112.4 | Y3 | Y3-S217 PolarHBondContact OH-O 3.19Š| ||
| 218 | L | 27.9 | Very low | 27.6 | Very low | 97 Ų | 97 | 145.6 Ų | 145.6 | 51% | 0.508 | 78% | 0.78 | S | S | . | * | trans | 78.8 | 59.8 | -169.3 | -59.3 | -167.3 | 0 | 0 | 0 | 118.2 | Y3 | Y3-L218 HydrophobicContact CD1-CD1 4.38Å; Y3-L218 HydrophobicContact CE1-CD1 3.38Å; Y3-L218 HydrophobicContact CE1-CG 3.89Å; Y3-L218 WeakPolarHBondContact OH-CB 3.45Å; Y3-L218 WeakPolarHBondContact OH-CD1 3.5Å; Y3-L218 VanDerWaalsContact OH-CG 3.3Å; Y3-L218 WeakPolarHBondContact OH-CG 3.42Å | ||
| 219 | I | 28.3 | Very low | 27.7 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | -120.7 | 92.1 | 130.3 | -60.2 | 175 | 0 | 0 | 0 | 106.7 | F175 | F175-I219 HydrophobicContact CE2-CD1 4.49Å; F175-I219 HydrophobicContact CZ-CD1 3.78Å | ||
| 220 | C | 25.3 | Very low | 27.9 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 75% | 0.75 | 78% | 0.781 | S | S | * | * | trans | -172 | 117.7 | 167.3 | -125.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 221 | L | 28.4 | Very low | 28.2 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 93% | 0.927 | 78% | 0.783 | S | S | * | * | trans | -173.8 | 81.1 | 133.9 | -104.6 | 170 | 0 | 0 | 0 | 108.7 | ||||
| 222 | L | 27.7 | Very low | 28.5 | Very low | 172 Ų | 172 | 138 Ų | 138 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | -94.4 | 139.6 | 167.8 | -99.9 | 76.3 | 0 | 0 | 0 | 110 | ||||
| 223 | G | 28.7 | Very low | 28.7 | Very low | 79 Ų | 79 | 133.2 Ų | 133.2 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | trans | -85.8 | 102.7 | 164 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 224 | S | 28.6 | Very low | 28.9 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | 15.5 | 123.1 | 152.8 | -55.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 225 | I | 30.4 | Very low | 29.1 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 89% | 0.892 | 76% | 0.762 | S | S | * | * | -174 | 165.5 | 107.1 | -92.5 | 160.7 | 0 | 0 | 0 | 110.1 | |||||
| 226 | K | 26.6 | Very low | 29.4 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 74% | 0.735 | 76% | 0.758 | S | S | * | * | trans | -109.9 | 150.2 | -157.1 | -50.8 | 163.8 | -174.4 | 169.9 | 0 | 113.8 | ||||
| 227 | H | 31.5 | Very low | 29.5 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 79% | 0.787 | 75% | 0.751 | S | S | * | * | 175.6 | -174.7 | 107.4 | -97.7 | -73.4 | 0 | 0 | 0 | 113.2 | |||||
| 228 | H | 28.9 | Very low | 29.7 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 85% | 0.847 | 76% | 0.759 | S | S | * | * | trans | -124.9 | 148.5 | -148.3 | -86.1 | -103.8 | 0 | 0 | 0 | 117.8 | ||||
| 229 | G | 29.5 | Very low | 29.9 | Very low | 75 Ų | 75 | 137.9 Ų | 137.9 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | 92.9 | 166.7 | 137.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 230 | S | 30.2 | Very low | 30 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | cis | -170.2 | 142.4 | -25.1 | -165 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 231 | G | 30.2 | Very low | 30.3 | Very low | 64 Ų | 64 | 140.5 Ų | 140.5 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | trans | 70.9 | 166.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 232 | D | 32.9 | Very low | 30.4 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | cis | -156 | -169.9 | -26.7 | -136.9 | -58.7 | 0 | 0 | 0 | 112.2 | ||||
| 233 | N | 32.6 | Very low | 30.5 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 52% | 0.519 | 77% | 0.765 | S | S | . | * | trans | -102.4 | 167.8 | -165.3 | -61.7 | -91.2 | 0 | 0 | 0 | 115.2 | R171 | R171-N233 PolarHBondContact NH2-OD1 2.79Š| ||
| 234 | I | 31.2 | Very low | 30.3 | Very low | 154 Ų | 154 | 142 Ų | 142 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | 176.3 | 113.3 | 132.6 | -91.5 | 152.2 | 0 | 0 | 0 | 113.4 | ||||
| 235 | I | 31 | Very low | 30.3 | Very low | 132 Ų | 132 | 144.7 Ų | 144.7 | 68% | 0.677 | 77% | 0.768 | S | S | * | * | 77.2 | 143.8 | 102.2 | -28.5 | 179 | 0 | 0 | 0 | 119.5 | |||||
| 236 | H | 33.2 | Very low | 30 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | trans | 84.9 | 118.8 | 164.9 | -65 | -64.5 | 0 | 0 | 0 | 118.7 | ||||
| 237 | R | 29.4 | Very low | 30.1 | Very low | 214 Ų | 214 | 138.2 Ų | 138.2 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | 75.5 | 116.2 | 64 | -78.2 | -163.9 | -174.2 | 167.6 | -0.4 | 112.4 | |||||
| 238 | N | 31.2 | Very low | 29.9 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | -170.1 | 159.9 | 65.2 | -118 | 7.8 | 0 | 0 | 0 | 115.1 | |||||
| 239 | N | 31.9 | Very low | 29.9 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | trans | 46.5 | 123.1 | 146.7 | -65.1 | 2.2 | 0 | 0 | 0 | 124.4 | ||||
| 240 | N | 29.5 | Very low | 30.2 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | 55.2 | 108.7 | 127.9 | -54.9 | -8.6 | 0 | 0 | 0 | 120.6 | |||||
| 241 | N | 32.8 | Very low | 30.2 | Very low | 169 Ų | 169 | 134 Ų | 134 | 90% | 0.904 | 73% | 0.729 | S | S | * | * | -149.7 | 154.4 | 113.8 | -115.1 | -28.9 | 0 | 0 | 0 | 111.8 | |||||
| 242 | K | 30.7 | Very low | 30.6 | Very low | 192 Ų | 192 | 136.3 Ų | 136.3 | 84% | 0.835 | 73% | 0.726 | S | S | * | * | trans | -83.3 | 134.6 | 173.3 | -59.4 | 173.6 | -177.1 | 174.5 | 0 | 108.6 | ||||
| 243 | N | 28.6 | Very low | 30.4 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 82% | 0.824 | 72% | 0.723 | S | S | * | * | trans | -173.7 | 157.1 | 141.3 | -96.1 | -15.3 | 0 | 0 | 0 | 111.8 | ||||
| 244 | S | 26.3 | Very low | 30.3 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | -44.4 | 122.1 | 177.5 | 49.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 245 | I | 27.9 | Very low | 30.5 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 85% | 0.851 | 73% | 0.734 | S | S | * | * | trans | -136.3 | 145.1 | 160.2 | -61.5 | -176.2 | 0 | 0 | 0 | 108.8 | ||||
| 246 | S | 24.7 | Very low | 30.8 | Very low | 90 Ų | 90 | 134 Ų | 134 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 156.6 | -170.1 | 51 | 0 | 0 | 0 | 0 | 115.3 | ||
| 247 | P | 28.2 | Very low | 30.9 | Very low | 118 Ų | 118 | 135.4 Ų | 135.4 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 150 | 161.4 | 30.2 | -34.8 | 0 | 0 | 0 | 111.1 | ||
| 248 | N | 27 | Very low | 31.5 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 141.6 | -177.2 | -84.8 | -24.5 | 0 | 0 | 0 | 112.8 | D250 T251 | N248-D250 PolarHBondContact O-N 2.96Å; N248-D250 VanDerWaalsContact O-N 3.12Å; N248-T251 PolarHBondContact O-OG1 3.36Å |
| 249 | P | 28.3 | Very low | 32.2 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 68% | 0.682 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 10.7 | -174.5 | 32.9 | -38 | 0 | 0 | 0 | 116.1 | R50 | R50-P249 PolarHBondContact NH1-O 3.05Š|
| 250 | D | 36.7 | Very low | 32.9 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 61% | 0.61 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | -4.8 | -175.6 | -69.9 | -38.8 | 0 | 0 | 0 | 114.4 | R50 N248 L252 | R50-D250 IonicContact CZ-OD1 3.59Å; R50-D250 IonicContact NH1-OD1 2.7Å; R50-D250 IonicContact NH2-OD1 2.7Å; R50-D250 PolarHBondContact NH2-OD1 2.93Å; N248-D250 PolarHBondContact O-N 2.96Å; N248-D250 VanDerWaalsContact O-N 3.12Å; D250-L252 PolarHBondContact O-N 3.05Å |
| 251 | T | 29.8 | Very low | 33.9 | Very low | 119 Ų | 119 | 117.7 Ų | 117.7 | 73% | 0.73 | 66% | 0.656 | S | S | * | * | trans | -85.8 | 92.2 | 170.3 | 48.4 | 0 | 0 | 0 | 0 | 111 | N248 | N248-T251 PolarHBondContact O-OG1 3.36Š| ||
| 252 | L | 39.2 | Very low | 34.6 | Very low | 112 Ų | 112 | 110.9 Ų | 110.9 | 59% | 0.586 | 62% | 0.621 | S | S | * | * | trans | -66.4 | 151.6 | 171.1 | -79.8 | 112.8 | 0 | 0 | 0 | 112.1 | D250 | D250-L252 PolarHBondContact O-N 3.05Š| ||
| 253 | P | 27.8 | Very low | 35.6 | Very low | 113 Ų | 113 | 103.5 Ų | 103.5 | 73% | 0.734 | 59% | 0.591 | S | S | * | * | trans | -69.3 | 157.4 | -178.7 | 28.9 | -36.1 | 0 | 0 | 0 | 113.3 | S255 | P253-S255 PolarHBondContact O-N 3.03Š| ||
| 254 | N | 32 | Very low | 36.6 | Very low | 175 Ų | 175 | 99.3 Ų | 99.3 | 94% | 0.936 | 57% | 0.572 | S | S | * | * | trans | -71.6 | 68.4 | 179 | -71.8 | -25.3 | 0 | 0 | 0 | 112.7 | ||||
| 255 | S | 35.1 | Very low | 37.9 | Very low | 86 Ų | 86 | 100.4 Ų | 100.4 | 60% | 0.601 | 57% | 0.565 | S | S | * | * | trans | -66.5 | 135.1 | 168.3 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | P253 F257 | P253-S255 PolarHBondContact O-N 3.03Å; S255-F257 PolarHBondContact O-N 3.25Å | ||
| 256 | S | 36.8 | Very low | 39.4 | Very low | 108 Ų | 108 | 94.9 Ų | 94.9 | 76% | 0.755 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -66.5 | 5.8 | -172.9 | -171.4 | 0 | 0 | 0 | 0 | 115.5 | T258 | S256-T258 VanDerWaalsContact C-N 3.28Å; S256-T258 PolarHBondContact O-N 3.47Å; S256-T258 VanDerWaalsContact O-N 3.14Å |
| 257 | F | 35.4 | Very low | 40.7 | Very low | 178 Ų | 178 | 92.1 Ų | 92.1 | 78% | 0.781 | 52% | 0.522 | S | S | * | . | trans | -89.4 | 43.1 | -171.6 | -140.9 | -93.7 | 0 | 0 | 0 | 113.3 | S255 | S255-F257 PolarHBondContact O-N 3.25Š| ||
| 258 | T | 41 | Very low | 42.1 | Very low | 71 Ų | 71 | 91 Ų | 91 | 44% | 0.436 | 51% | 0.508 | S | S | . | . | trans | -101.8 | -4.8 | -169.1 | 47.4 | 0 | 0 | 0 | 0 | 115.4 | S256 T260 | S256-T258 VanDerWaalsContact C-N 3.28Å; S256-T258 PolarHBondContact O-N 3.47Å; S256-T258 VanDerWaalsContact O-N 3.14Å; T258-T260 PolarHBondContact O-N 3.2Å | ||
| 259 | R | 47.6 | Very low | 44 | Very low | 140 Ų | 140 | 90.2 Ų | 90.2 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | trans | -80 | 89.6 | -166.2 | -60.8 | -163.2 | -178.1 | -121.2 | -0.1 | 115.3 | I261 | R259-I261 HydrophobicContact CB-CB 3.96Å; R259-I261 HydrophobicContact CG-CB 4Å; R259-I261 HydrophobicContact CG-CD1 4.14Å | ||
| 260 | T | 46.3 | Very low | 45.7 | Very low | 5 Ų | 5 | 87.6 Ų | 87.6 | 3% | 0.031 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -85.6 | 29.7 | 139.7 | 52.5 | 0 | 0 | 0 | 0 | 111.1 | R22 R42 G121 T258 | R22-T260 PolarHBondContact NE-O 3.38Å; R22-T260 VanDerWaalsContact NE-O 3.14Å; R42-T260 HydrophobicContact CB-CG2 3.81Å; R42-T260 HydrophobicContact CG-CG2 4.34Å; G121-T260 PolarHBondContact O-OG1 3.44Å; G121-T260 VanDerWaalsContact O-OG1 3.09Å; T258-T260 PolarHBondContact O-N 3.2Å |
| 261 | I | 49.4 | Very low | 47 | Very low | 15 Ų | 15 | 89.2 Ų | 89.2 | 8% | 0.077 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -113.2 | 154.8 | -157.7 | -67.1 | 163.1 | 0 | 0 | 0 | 107.7 | E120 R259 | E120-I261 HydrophobicContact CB-CD1 4.22Å; E120-I261 HydrophobicContact CG-CD1 4.14Å; E120-I261 HydrophobicContact CG-CG1 4.27Å; E120-I261 WeakPolarHBondContact OE1-CD1 3.45Å; E120-I261 WeakPolarHBondContact OE1-CG2 3.35Å; E120-I261 VanDerWaalsContact OE2-CD1 3.31Å; E120-I261 WeakPolarHBondContact OE2-CD1 3.25Å; R259-I261 HydrophobicContact CB-CB 3.96Å; R259-I261 HydrophobicContact CG-CB 4Å; R259-I261 HydrophobicContact CG-CD1 4.14Å |
| 262 | S | 48.2 | Very low | 48.6 | Very low | 25 Ų | 25 | 90.3 Ų | 90.3 | 18% | 0.175 | 47% | 0.471 | C | S | . | . | trans | -33.1 | 146.3 | 173.2 | 54.1 | 0 | 0 | 0 | 0 | 114.9 | S21 P264 A267 | S21-S262 WeakPolarHBondContact O-CA 3.4Å; S21-S262 WeakPolarHBondContact O-CB 3.47Å; S262-P264 VanDerWaalsContact O-N 3.11Å; S262-A267 VanDerWaalsContact OG-CB 3.28Å; S262-A267 WeakPolarHBondContact OG-CB 3.28Å | ||
| 263 | D | 51 | Low | 50.3 | Low | 37 Ų | 37 | 89.8 Ų | 89.8 | 20% | 0.198 | 47% | 0.465 | C | S | . | . | trans | -48.5 | 120.6 | 163.3 | 155.1 | 36.6 | 0 | 0 | 0 | 108.2 | L23 E265 T266 A267 | L23-D263 HydrophobicContact CD2-CB 3.85Å; L23-D263 HydrophobicContact CG-CB 4.19Å; D263-E265 PolarHBondContact O-N 3.12Å; D263-E265 PolarHBondContact OD1-N 3.06Å; D263-T266 WeakPolarHBondContact CB-OG1 3.27Å; D263-T266 WeakPolarHBondContact OD2-CB 3.4Å; D263-T266 WeakPolarHBondContact OD2-CG2 3.23Å; D263-T266 PolarHBondContact OD2-N 3.29Å; D263-T266 PolarHBondContact OD2-OG1 3.21Å; D263-A267 WeakPolarHBondContact O-CB 3.22Å; D263-A267 PolarHBondContact O-N 3.19Å | ||
| 264 | P | 49.2 | Very low | 52.3 | Low | 66 Ų | 66 | 91.8 Ų | 91.8 | 43% | 0.429 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.1 | -26.2 | -175.5 | 27.1 | -35.5 | 0 | 0 | 0 | 112.1 | S262 M268 | S262-P264 VanDerWaalsContact O-N 3.11Å; P264-M268 WeakPolarHBondContact O-CB 3.25Å; P264-M268 PolarHBondContact O-N 2.83Å |
| 265 | E | 55.2 | Low | 54 | Low | 136 Ų | 136 | 87.2 Ų | 87.2 | 64% | 0.636 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -75.6 | -57.7 | 179.3 | -173.7 | 146.6 | -147.7 | 0 | 0 | 111.2 | D263 A267 M268 Q269 | D263-E265 PolarHBondContact O-N 3.12Å; D263-E265 PolarHBondContact OD1-N 3.06Å; E265-A267 VanDerWaalsContact C-N 3.29Å; E265-A267 PolarHBondContact O-N 3.1Å; E265-M268 CarbonylContact O-C 3.58Å; E265-M268 PolarHBondContact O-N 3Å; E265-M268 VanDerWaalsContact O-N 3.13Å; E265-Q269 VanDerWaalsContact O-CB 3.23Å; E265-Q269 WeakPolarHBondContact O-CB 3.23Å; E265-Q269 PolarHBondContact O-N 2.89Å |
| 266 | T | 57.5 | Low | 55.5 | Low | 51 Ų | 51 | 87.7 Ų | 87.7 | 31% | 0.313 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.9 | -31 | 174.8 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | D263 Q269 Q270 | D263-T266 WeakPolarHBondContact CB-OG1 3.27Å; D263-T266 WeakPolarHBondContact OD2-CB 3.4Å; D263-T266 WeakPolarHBondContact OD2-CG2 3.23Å; D263-T266 PolarHBondContact OD2-N 3.29Å; D263-T266 PolarHBondContact OD2-OG1 3.21Å; T266-Q269 PolarHBondContact O-N 3.36Å; T266-Q270 WeakPolarHBondContact O-CB 3.34Å; T266-Q270 WeakPolarHBondContact O-CG 3.34Å; T266-Q270 PolarHBondContact O-N 2.84Å |
| 267 | A | 52.4 | Low | 57 | Low | 32 Ų | 32 | 87.2 Ų | 87.2 | 26% | 0.264 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.6 | -42 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S262 D263 E265 K271 | S262-A267 VanDerWaalsContact OG-CB 3.28Å; S262-A267 WeakPolarHBondContact OG-CB 3.28Å; D263-A267 WeakPolarHBondContact O-CB 3.22Å; D263-A267 PolarHBondContact O-N 3.19Å; E265-A267 VanDerWaalsContact C-N 3.29Å; E265-A267 PolarHBondContact O-N 3.1Å; A267-K271 VanDerWaalsContact O-CB 3.28Å; A267-K271 WeakPolarHBondContact O-CB 3.39Å; A267-K271 PolarHBondContact O-N 2.98Å |
| 268 | M | 58.2 | Low | 58.7 | Low | 95 Ų | 95 | 81 Ų | 81 | 47% | 0.468 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71.8 | -31.7 | 174.6 | -164 | -174.3 | -43.2 | 0 | 0 | 111.4 | P264 E265 K271 R272 | P264-M268 WeakPolarHBondContact O-CB 3.25Å; P264-M268 PolarHBondContact O-N 2.83Å; E265-M268 CarbonylContact O-C 3.58Å; E265-M268 PolarHBondContact O-N 3Å; E265-M268 VanDerWaalsContact O-N 3.13Å; M268-K271 PolarHBondContact O-N 3.46Å; M268-R272 VanDerWaalsContact O-CB 3.31Å; M268-R272 WeakPolarHBondContact O-CB 3.24Å; M268-R272 WeakPolarHBondContact O-CD 3.32Å; M268-R272 WeakPolarHBondContact O-CG 3.41Å; M268-R272 PolarHBondContact O-N 2.9Å; M268-R272 PolarHBondContact SD-NH2 3.13Å |
| 269 | Q | 66.6 | Low | 59.8 | Low | 112 Ų | 112 | 79.4 Ų | 79.4 | 52% | 0.523 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.9 | -46.5 | 175.1 | -168.1 | -177.7 | 16.3 | 0 | 0 | 110.6 | E265 T266 K271 R272 Q273 | E265-Q269 VanDerWaalsContact O-CB 3.23Å; E265-Q269 WeakPolarHBondContact O-CB 3.23Å; E265-Q269 PolarHBondContact O-N 2.89Å; T266-Q269 PolarHBondContact O-N 3.36Å; Q269-K271 VanDerWaalsContact C-N 3.29Å; Q269-K271 PolarHBondContact O-N 3.07Å; Q269-R272 CarbonylContact O-C 3.56Å; Q269-R272 PolarHBondContact O-N 3.43Å; Q269-Q273 WeakPolarHBondContact O-CB 3.38Å; Q269-Q273 PolarHBondContact O-N 2.67Å |
| 270 | Q | 63.4 | Low | 60.6 | Low | 50 Ų | 50 | 78.4 Ų | 78.4 | 23% | 0.234 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.7 | -35.1 | 170.7 | -76 | -170.8 | 23.9 | 0 | 0 | 111.9 | S20 T266 R274 | S20-Q270 PolarHBondContact O-NE2 3.2Å; T266-Q270 WeakPolarHBondContact O-CB 3.34Å; T266-Q270 WeakPolarHBondContact O-CG 3.34Å; T266-Q270 PolarHBondContact O-N 2.84Å; Q270-R274 WeakPolarHBondContact O-CB 3.36Å; Q270-R274 VanDerWaalsContact O-CG 3.29Å; Q270-R274 WeakPolarHBondContact O-CG 3.43Å; Q270-R274 PolarHBondContact O-N 2.9Å |
| 271 | K | 65.2 | Low | 61.5 | Low | 148 Ų | 148 | 83.5 Ų | 83.5 | 64% | 0.643 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -67 | -45.8 | 173.5 | -171 | 176.4 | -180 | -178.7 | 0 | 111 | A267 M268 Q269 R274 T275 | A267-K271 VanDerWaalsContact O-CB 3.28Å; A267-K271 WeakPolarHBondContact O-CB 3.39Å; A267-K271 PolarHBondContact O-N 2.98Å; M268-K271 PolarHBondContact O-N 3.46Å; Q269-K271 VanDerWaalsContact C-N 3.29Å; Q269-K271 PolarHBondContact O-N 3.07Å; K271-R274 PolarHBondContact O-N 3.35Å; K271-T275 WeakPolarHBondContact O-CB 3.23Å; K271-T275 PolarHBondContact O-N 3.05Å; K271-T275 PolarHBondContact O-OG1 3.39Å |
| 272 | R | 63.9 | Low | 62.3 | Low | 142 Ų | 142 | 88.4 Ų | 88.4 | 54% | 0.536 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 172.9 | -74.2 | 163.5 | -178.1 | 179.1 | 1.3 | 110.8 | M268 Q269 T275 L276 | M268-R272 VanDerWaalsContact O-CB 3.31Å; M268-R272 WeakPolarHBondContact O-CB 3.24Å; M268-R272 WeakPolarHBondContact O-CD 3.32Å; M268-R272 WeakPolarHBondContact O-CG 3.41Å; M268-R272 PolarHBondContact O-N 2.9Å; M268-R272 PolarHBondContact SD-NH2 3.13Å; Q269-R272 CarbonylContact O-C 3.56Å; Q269-R272 PolarHBondContact O-N 3.43Å; R272-T275 PolarHBondContact O-N 3.16Å; R272-L276 WeakPolarHBondContact O-CB 3.39Å; R272-L276 VanDerWaalsContact O-CG 3.27Å; R272-L276 WeakPolarHBondContact O-CG 3.45Å; R272-L276 PolarHBondContact O-N 3.08Å |
| 273 | Q | 73.2 | Confident | 63 | Low | 101 Ų | 101 | 88.2 Ų | 88.2 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -57.3 | -56.7 | 176.5 | -173.6 | 73.4 | 25.3 | 0 | 0 | 110.4 | Q269 T275 L276 E277 | Q269-Q273 WeakPolarHBondContact O-CB 3.38Å; Q269-Q273 PolarHBondContact O-N 2.67Å; Q273-T275 VanDerWaalsContact C-N 3.3Å; Q273-T275 PolarHBondContact O-N 3.3Å; Q273-L276 CarbonylContact O-C 3.57Å; Q273-L276 PolarHBondContact O-N 3.07Å; Q273-L276 VanDerWaalsContact O-N 3.14Å; Q273-E277 WeakPolarHBondContact CG-OE1 3.11Å; Q273-E277 PolarHBondContact NE2-OE1 3.31Å; Q273-E277 WeakPolarHBondContact O-CB 3.3Å; Q273-E277 VanDerWaalsContact O-CG 3.31Å; Q273-E277 WeakPolarHBondContact O-CG 3.37Å; Q273-E277 PolarHBondContact O-N 3.48Å |
| 274 | R | 70.9 | Confident | 63.3 | Low | 154 Ų | 154 | 90.6 Ų | 90.6 | 58% | 0.581 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62 | -32.8 | 177 | -70.2 | 177.8 | -174.7 | 111.3 | 6.2 | 113 | Q270 K271 A278 | Q270-R274 WeakPolarHBondContact O-CB 3.36Å; Q270-R274 VanDerWaalsContact O-CG 3.29Å; Q270-R274 WeakPolarHBondContact O-CG 3.43Å; Q270-R274 PolarHBondContact O-N 2.9Å; K271-R274 PolarHBondContact O-N 3.35Å; R274-A278 WeakPolarHBondContact O-CB 3.39Å; R274-A278 PolarHBondContact O-N 2.94Å |
| 275 | T | 67.7 | Low | 63.7 | Low | 80 Ų | 80 | 94.7 Ų | 94.7 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -71.8 | -39 | 174.1 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | K271 R272 Q273 K279 | K271-T275 WeakPolarHBondContact O-CB 3.23Å; K271-T275 PolarHBondContact O-N 3.05Å; K271-T275 PolarHBondContact O-OG1 3.39Å; R272-T275 PolarHBondContact O-N 3.16Å; Q273-T275 VanDerWaalsContact C-N 3.3Å; Q273-T275 PolarHBondContact O-N 3.3Å; T275-K279 PolarHBondContact O-N 3.45Å |
| 276 | L | 66 | Low | 63.7 | Low | 96 Ų | 96 | 95.4 Ų | 95.4 | 50% | 0.503 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.1 | -47.9 | 173.9 | -75.2 | 168.3 | 0 | 0 | 0 | 110.5 | R272 Q273 A278 K279 F280 L312 | R272-L276 WeakPolarHBondContact O-CB 3.39Å; R272-L276 VanDerWaalsContact O-CG 3.27Å; R272-L276 WeakPolarHBondContact O-CG 3.45Å; R272-L276 PolarHBondContact O-N 3.08Å; Q273-L276 CarbonylContact O-C 3.57Å; Q273-L276 PolarHBondContact O-N 3.07Å; Q273-L276 VanDerWaalsContact O-N 3.14Å; L276-A278 VanDerWaalsContact C-N 3.33Å; L276-A278 PolarHBondContact O-N 2.71Å; L276-K279 PolarHBondContact O-N 2.66Å; L276-F280 VanDerWaalsContact O-CB 3.25Å; L276-F280 WeakPolarHBondContact O-CB 3.21Å; L276-F280 PolarHBondContact O-N 3.44Å; L276-L312 HydrophobicContact CD2-CD2 3.94Å |
| 277 | E | 69 | Low | 62.9 | Low | 97 Ų | 97 | 95.9 Ų | 95.9 | 45% | 0.453 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.1 | -39.6 | 174.8 | -72.4 | 166.3 | 175.3 | 0 | 0 | 111.8 | Q273 F280 M281 | Q273-E277 WeakPolarHBondContact CG-OE1 3.11Å; Q273-E277 PolarHBondContact NE2-OE1 3.31Å; Q273-E277 WeakPolarHBondContact O-CB 3.3Å; Q273-E277 VanDerWaalsContact O-CG 3.31Å; Q273-E277 WeakPolarHBondContact O-CG 3.37Å; Q273-E277 PolarHBondContact O-N 3.48Å; E277-F280 PolarHBondContact O-N 2.83Å; E277-M281 VanDerWaalsContact O-CB 3.23Å; E277-M281 WeakPolarHBondContact O-CB 3.49Å; E277-M281 VanDerWaalsContact O-CG 3.23Å; E277-M281 WeakPolarHBondContact O-CG 3.24Å; E277-M281 PolarHBondContact O-N 2.83Å |
| 278 | A | 70.8 | Confident | 62.9 | Low | 48 Ų | 48 | 101.2 Ų | 101.2 | 40% | 0.397 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R274 L276 Q282 | R274-A278 WeakPolarHBondContact O-CB 3.39Å; R274-A278 PolarHBondContact O-N 2.94Å; L276-A278 VanDerWaalsContact C-N 3.33Å; L276-A278 PolarHBondContact O-N 2.71Å; A278-Q282 VanDerWaalsContact O-CG 3.29Å; A278-Q282 WeakPolarHBondContact O-CG 3.43Å; A278-Q282 PolarHBondContact O-N 3.41Å |
| 279 | K | 64.8 | Low | 62.3 | Low | 37 Ų | 37 | 104.2 Ų | 104.2 | 16% | 0.161 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -64.1 | -42 | 172.8 | -96.8 | -174 | 168.6 | -90.6 | 0 | 111.5 | T275 L276 Q282 M283 L312 E325 | T275-K279 PolarHBondContact O-N 3.45Å; L276-K279 PolarHBondContact O-N 2.66Å; K279-Q282 WeakPolarHBondContact O-CB 3.22Å; K279-Q282 PolarHBondContact O-N 3.01Å; K279-Q282 VanDerWaalsContact O-N 3.16Å; K279-M283 WeakPolarHBondContact O-CG 3.35Å; K279-M283 PolarHBondContact O-N 3.42Å; K279-L312 HydrophobicContact CB-CD2 4.1Å; K279-L312 HydrophobicContact CD-CB 4.28Å; K279-L312 HydrophobicContact CD-CD2 4.27Å; K279-L312 PolarHBondContact NZ-O 3.18Å; K279-E325 VanDerWaalsContact CE-OE1 3.23Å; K279-E325 WeakPolarHBondContact CE-OE1 3.25Å; K279-E325 VanDerWaalsContact NZ-CD 3.27Å; K279-E325 IonicContact NZ-OE1 3.2Å; K279-E325 PolarHBondContact NZ-OE1 3.32Å; K279-E325 VanDerWaalsContact NZ-OE1 3.07Å; K279-E325 IonicContact NZ-OE2 2.72Å; K279-E325 PolarHBondContact NZ-OE2 2.95Å |
| 280 | F | 63.6 | Low | 61.8 | Low | 120 Ų | 120 | 102.1 Ų | 102.1 | 53% | 0.526 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68 | -37.2 | -179.9 | -150.6 | -90.3 | 0 | 0 | 0 | 111.4 | L276 E277 M283 L284 | L276-F280 VanDerWaalsContact O-CB 3.25Å; L276-F280 WeakPolarHBondContact O-CB 3.21Å; L276-F280 PolarHBondContact O-N 3.44Å; E277-F280 PolarHBondContact O-N 2.83Å; F280-M283 PolarHBondContact O-N 3.25Å; F280-L284 HydrophobicContact CD1-CD1 3.67Å; F280-L284 HydrophobicContact CD1-CG 3.98Å; F280-L284 HydrophobicContact CE1-CD1 3.99Å; F280-L284 HydrophobicContact CE1-CD2 4.4Å; F280-L284 HydrophobicContact CE1-CG 4.14Å; F280-L284 WeakPolarHBondContact O-CB 3.45Å; F280-L284 VanDerWaalsContact O-CG 3.25Å; F280-L284 WeakPolarHBondContact O-CG 3.4Å; F280-L284 PolarHBondContact O-N 3.27Å |
| 281 | M | 65 | Low | 61.7 | Low | 112 Ų | 112 | 100.6 Ų | 100.6 | 55% | 0.552 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.7 | -40 | 168.9 | -78.5 | -70.2 | -162.4 | 0 | 0 | 112.1 | E277 M283 L284 H285 | E277-M281 VanDerWaalsContact O-CB 3.23Å; E277-M281 WeakPolarHBondContact O-CB 3.49Å; E277-M281 VanDerWaalsContact O-CG 3.23Å; E277-M281 WeakPolarHBondContact O-CG 3.24Å; E277-M281 PolarHBondContact O-N 2.83Å; M281-M283 VanDerWaalsContact C-N 3.32Å; M281-M283 PolarHBondContact O-N 3.25Å; M281-L284 PolarHBondContact O-N 2.91Å; M281-H285 VanDerWaalsContact O-CB 3.28Å; M281-H285 WeakPolarHBondContact O-CB 3.22Å; M281-H285 PolarHBondContact O-CD2 2.91Å; M281-H285 VanDerWaalsContact O-CD2 3.24Å; M281-H285 PolarHBondContact O-N 3.26Å |
| 282 | Q | 66.6 | Low | 61.9 | Low | 117 Ų | 117 | 95.5 Ų | 95.5 | 55% | 0.547 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 173.3 | -75.6 | 168.6 | -15.1 | 0 | 0 | 111.5 | A278 K279 H285 H286 | A278-Q282 VanDerWaalsContact O-CG 3.29Å; A278-Q282 WeakPolarHBondContact O-CG 3.43Å; A278-Q282 PolarHBondContact O-N 3.41Å; K279-Q282 WeakPolarHBondContact O-CB 3.22Å; K279-Q282 PolarHBondContact O-N 3.01Å; K279-Q282 VanDerWaalsContact O-N 3.16Å; Q282-H285 PolarHBondContact O-N 2.78Å; Q282-H286 PolarHBondContact O-CD2 3.33Å; Q282-H286 PolarHBondContact O-N 3.07Å |
| 283 | M | 62.9 | Low | 62.4 | Low | 22 Ų | 22 | 89.6 Ų | 89.6 | 11% | 0.108 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -67.6 | -45.6 | 176.2 | -64.4 | 160.2 | 75.4 | 0 | 0 | 111.6 | K279 F280 M281 H285 H286 D287 L312 I313 | K279-M283 WeakPolarHBondContact O-CG 3.35Å; K279-M283 PolarHBondContact O-N 3.42Å; F280-M283 PolarHBondContact O-N 3.25Å; M281-M283 VanDerWaalsContact C-N 3.32Å; M281-M283 PolarHBondContact O-N 3.25Å; M283-H285 VanDerWaalsContact C-N 3.28Å; M283-H285 PolarHBondContact O-N 3.43Å; M283-H286 PolarHBondContact O-N 2.74Å; M283-H286 VanDerWaalsContact O-N 3.11Å; M283-D287 PolarHBondContact O-N 3.07Å; M283-L312 HydrophobicContact CE-CD1 4.2Å; M283-L312 HydrophobicContact CE-CG 4.39Å; M283-L312 HydrophobicContact SD-CD1 4.38Å; M283-L312 HydrophobicContact SD-CD2 4.22Å; M283-L312 HydrophobicContact SD-CG 3.98Å; M283-I313 WeakPolarHBondContact CE-O 3.46Å |
| 284 | L | 57.8 | Low | 62.8 | Low | 87 Ų | 87 | 89.8 Ų | 89.8 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.2 | -27.4 | 174.9 | -74.4 | 172.1 | 0 | 0 | 0 | 113.6 | F280 M281 H286 | F280-L284 HydrophobicContact CD1-CD1 3.67Å; F280-L284 HydrophobicContact CD1-CG 3.98Å; F280-L284 HydrophobicContact CE1-CD1 3.99Å; F280-L284 HydrophobicContact CE1-CD2 4.4Å; F280-L284 HydrophobicContact CE1-CG 4.14Å; F280-L284 WeakPolarHBondContact O-CB 3.45Å; F280-L284 VanDerWaalsContact O-CG 3.25Å; F280-L284 WeakPolarHBondContact O-CG 3.4Å; F280-L284 PolarHBondContact O-N 3.27Å; M281-L284 PolarHBondContact O-N 2.91Å; L284-H286 VanDerWaalsContact C-N 3.29Å |
| 285 | H | 56.8 | Low | 63.3 | Low | 151 Ų | 151 | 83 Ų | 83 | 70% | 0.699 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -10.7 | 174.9 | -91.7 | -63.8 | 0 | 0 | 0 | 113.8 | M281 Q282 M283 | M281-H285 VanDerWaalsContact O-CB 3.28Å; M281-H285 WeakPolarHBondContact O-CB 3.22Å; M281-H285 PolarHBondContact O-CD2 2.91Å; M281-H285 VanDerWaalsContact O-CD2 3.24Å; M281-H285 PolarHBondContact O-N 3.26Å; Q282-H285 PolarHBondContact O-N 2.78Å; M283-H285 VanDerWaalsContact C-N 3.28Å; M283-H285 PolarHBondContact O-N 3.43Å |
| 286 | H | 54.8 | Low | 64.1 | Low | 152 Ų | 152 | 84.7 Ų | 84.7 | 70% | 0.704 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | -35.5 | -176.7 | -83.7 | -72.3 | 0 | 0 | 0 | 115 | Q282 M283 L284 | Q282-H286 PolarHBondContact O-CD2 3.33Å; Q282-H286 PolarHBondContact O-N 3.07Å; M283-H286 PolarHBondContact O-N 2.74Å; M283-H286 VanDerWaalsContact O-N 3.11Å; L284-H286 VanDerWaalsContact C-N 3.29Å |
| 287 | D | 41.1 | Very low | 65.1 | Low | 61 Ų | 61 | 80.1 Ų | 80.1 | 33% | 0.326 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -142.5 | 162.8 | -176 | -80.8 | -65.9 | 0 | 0 | 0 | 115.7 | M283 I289 S291 T316 | M283-D287 PolarHBondContact O-N 3.07Å; D287-I289 PolarHBondContact O-N 2.89Å; D287-I289 VanDerWaalsContact O-N 3.11Å; D287-S291 WeakPolarHBondContact CB-OG 3.18Å; D287-T316 WeakPolarHBondContact OD2-CB 3.38Å; D287-T316 WeakPolarHBondContact OD2-CG2 3.41Å; D287-T316 PolarHBondContact OD2-OG1 2.65Å |
| 288 | N | 52.8 | Low | 65.7 | Low | 144 Ų | 144 | 79.1 Ų | 79.1 | 77% | 0.77 | 43% | 0.425 | S | S | * | . | trans | -67.9 | 99 | -171 | -98.7 | -29.2 | 0 | 0 | 0 | 114.4 | G290 | N288-G290 PolarHBondContact O-N 2.79Š| ||
| 289 | I | 45.7 | Very low | 66.2 | Low | 158 Ų | 158 | 76.9 Ų | 76.9 | 81% | 0.81 | 41% | 0.407 | S | S | * | . | S | Bend | trans | 55.1 | -14.1 | 145.4 | -60.8 | -179 | 0 | 0 | 0 | 119.2 | D287 | D287-I289 PolarHBondContact O-N 2.89Å; D287-I289 VanDerWaalsContact O-N 3.11Å |
| 290 | G | 56.3 | Low | 66.7 | Low | 67 Ų | 67 | 76.7 Ų | 76.7 | 69% | 0.691 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -153.2 | 15.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N288 G292 | N288-G290 PolarHBondContact O-N 2.79Å; G290-G292 VanDerWaalsContact C-N 3.28Å; G290-G292 PolarHBondContact O-N 3.35Å |
| 291 | S | 61.4 | Low | 67.2 | Low | 18 Ų | 18 | 78.1 Ų | 78.1 | 13% | 0.126 | 42% | 0.423 | C | S | . | . | trans | -86 | 35 | -170.7 | 53 | 0 | 0 | 0 | 0 | 114.7 | D287 I315 | D287-S291 WeakPolarHBondContact CB-OG 3.18Å; S291-I315 WeakPolarHBondContact O-CG1 3.14Å; S291-I315 PolarHBondContact O-N 2.9Å | ||
| 292 | G | 67.8 | Low | 67.6 | Low | 42 Ų | 42 | 74.3 Ų | 74.3 | 43% | 0.433 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 145.2 | -171 | 0 | 0 | 0 | 0 | 0 | 114.3 | G290 | G290-G292 VanDerWaalsContact C-N 3.28Å; G290-G292 PolarHBondContact O-N 3.35Å |
| 293 | G | 76.2 | Confident | 68 | Low | 17 Ų | 17 | 71.8 Ų | 71.8 | 18% | 0.175 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 163 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | I313 | G293-I313 PolarHBondContact N-O 3.44Å; G293-I313 PolarHBondContact O-N 2.9Å |
| 294 | T | 80.7 | Confident | 68.6 | Low | 106 Ų | 106 | 75.9 Ų | 75.9 | 65% | 0.65 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 118.1 | 174.8 | 56.1 | 0 | 0 | 0 | 0 | 111 | T310 L311 L312 | T294-T310 HydrophobicContact CG2-CG2 4.39Å; T294-L311 CarbonylContact C-O 3.45Å; T294-L311 VanDerWaalsContact CA-O 3.27Å; T294-L311 WeakPolarHBondContact CA-O 3.37Å; T294-L312 HydrophobicContact CG2-CD1 4.24Å |
| 295 | L | 82.1 | Confident | 69.4 | Low | 11 Ų | 11 | 79.8 Ų | 79.8 | 6% | 0.058 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 133.4 | 177 | -174.3 | 60.7 | 0 | 0 | 0 | 110.3 | I297 T310 L311 I313 I322 P369 L373 | L295-I297 HydrophobicContact CD2-CD1 3.71Å; L295-I297 HydrophobicContact CG-CD1 3.81Å; L295-T310 WeakPolarHBondContact O-CA 3.39Å; L295-L311 PolarHBondContact N-O 3.16Å; L295-L311 PolarHBondContact O-N 3.23Å; L295-I313 HydrophobicContact CB-CD1 3.63Å; L295-I313 HydrophobicContact CB-CG1 4.16Å; L295-I313 HydrophobicContact CD2-CD1 3.67Å; L295-I313 HydrophobicContact CG-CD1 4.3Å; L295-I322 HydrophobicContact CD2-CD1 4.28Å; L295-P369 HydrophobicContact CD2-CB 4.15Å; L295-L373 HydrophobicContact CD1-CD1 4.24Å |
| 296 | R | 83.9 | Confident | 70.4 | Confident | 115 Ų | 115 | 75.9 Ų | 75.9 | 43% | 0.434 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 116.9 | 173.9 | -69.5 | -172.5 | -178.2 | -170.3 | 1.8 | 109.7 | Y298 | R296-Y298 HydrophobicContact CB-CE2 3.99Å |
| 297 | I | 86.2 | Confident | 71.3 | Confident | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.005 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 112.8 | 177.1 | -51.5 | -62.2 | 0 | 0 | 0 | 108.6 | L295 Y308 K309 L311 I322 Y330 L342 A1898 V1900 | L295-I297 HydrophobicContact CD2-CD1 3.71Å; L295-I297 HydrophobicContact CG-CD1 3.81Å; I297-Y308 CarbonylContact O-C 3.59Å; I297-Y308 VanDerWaalsContact O-CA 3.27Å; I297-Y308 WeakPolarHBondContact O-CA 3.17Å; I297-K309 PolarHBondContact N-O 3.1Å; I297-K309 PolarHBondContact O-N 2.85Å; I297-L311 HydrophobicContact CD1-CD1 4.43Å; I297-L311 HydrophobicContact CG1-CD1 3.78Å; I297-L311 HydrophobicContact CG1-CG 3.81Å; I297-I322 HydrophobicContact CD1-CG2 3.72Å; I297-I322 HydrophobicContact CG1-CG2 4.37Å; I297-Y330 PolarHBondContact O-OH 3.15Å; I297-L342 HydrophobicContact CD1-CD1 4.09Å; I297-L342 HydrophobicContact CG2-CD1 4.33Å; I297-A1898 HydrophobicContact CD1-CB 4.24Å; I297-V1900 HydrophobicContact CG2-CG2 3.51Å |
| 298 | Y | 81.7 | Confident | 73.4 | Confident | 76 Ų | 76 | 72.8 Ų | 72.8 | 30% | 0.298 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 122.2 | 177.5 | -67.8 | -96.2 | 0 | 0 | 0 | 109.3 | R296 P307 Y308 T1897 A1898 C1899 V1900 | R296-Y298 HydrophobicContact CB-CE2 3.99Å; Y298-P307 CarbonylContact C-O 3.59Å; Y298-P307 WeakPolarHBondContact CA-O 3.41Å; Y298-Y308 HydrophobicContact CE1-CD1 4.33Å; Y298-Y308 HydrophobicContact CE1-CG 4.33Å; Y298-T1897 HydrophobicContact CD2-CG2 3.73Å; Y298-T1897 HydrophobicContact CE2-CG2 3.85Å; Y298-T1897 HydrophobicContact CG-CG2 4.39Å; Y298-A1898 PolarHBondContact N-O 2.85Å; Y298-C1899 WeakPolarHBondContact O-CA 3.33Å; Y298-V1900 PolarHBondContact O-N 3.2Å; Y298-V1900 VanDerWaalsContact O-N 3.15Å |
| 299 | G | 81.1 | Confident | 74.8 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | trans | -130 | 22 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q301 L302 F303 P307 Y330 | G299-Q301 PolarHBondContact O-N 2.85Å; G299-Q301 VanDerWaalsContact O-N 3.08Å; G299-L302 WeakPolarHBondContact O-CA 3.27Å; G299-L302 WeakPolarHBondContact O-CB 3.35Å; G299-L302 PolarHBondContact O-N 2.92Å; G299-F303 PolarHBondContact O-N 3.07Å; G299-P307 PolarHBondContact N-O 3.24Å; G299-Y330 WeakPolarHBondContact CA-OH 3.16Å; G299-Y330 PolarHBondContact N-OH 2.66Å | ||
| 300 | G | 75.6 | Confident | 76.6 | Confident | 33 Ų | 33 | 63.4 Ų | 63.4 | 34% | 0.34 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -17.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | P307 | G300-P307 PolarHBondContact N-O 2.86Š|
| 301 | Q | 75.7 | Confident | 77.9 | Confident | 149 Ų | 149 | 60.3 Ų | 60.3 | 70% | 0.696 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -19.3 | 169.4 | -65.9 | -167.9 | 9.4 | 0 | 0 | 113.8 | G299 L1901 | G299-Q301 PolarHBondContact O-N 2.85Å; G299-Q301 VanDerWaalsContact O-N 3.08Å; Q301-L1901 VanDerWaalsContact OE1-CD2 3.31Å |
| 302 | L | 72 | Confident | 78.9 | Confident | 32 Ų | 32 | 61 Ų | 61 | 17% | 0.168 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -45.6 | 174.3 | -54.2 | 178.4 | 0 | 0 | 0 | 110.8 | G299 L327 Y330 Y340 V1900 | G299-L302 WeakPolarHBondContact O-CA 3.27Å; G299-L302 WeakPolarHBondContact O-CB 3.35Å; G299-L302 PolarHBondContact O-N 2.92Å; L302-L327 HydrophobicContact CD1-CD2 4.46Å; L302-Y330 HydrophobicContact CD1-CD2 4.33Å; L302-Y340 HydrophobicContact CD2-CD1 4.03Å; L302-Y340 HydrophobicContact CD2-CE1 3.57Å; L302-V1900 HydrophobicContact CD1-CB 4.12Å; L302-V1900 HydrophobicContact CD1-CG1 3.92Å |
| 303 | F | 75.9 | Confident | 79.7 | Confident | 65 Ų | 65 | 59 Ų | 59 | 29% | 0.285 | 31% | 0.306 | S | S | . | . | trans | -140.6 | 99 | 179.7 | -81.9 | -94.4 | 0 | 0 | 0 | 110.3 | G299 E305 I306 Y330 L332 | G299-F303 PolarHBondContact O-N 3.07Å; F303-E305 PolarHBondContact O-N 3.4Å; F303-I306 CarbonylContact O-C 3.52Å; F303-I306 PolarHBondContact O-N 3.43Å; F303-I306 VanDerWaalsContact O-N 3.12Å; F303-Y330 HydrophobicContact CB-CD1 3.86Å; F303-Y330 HydrophobicContact CB-CE1 4.19Å; F303-Y330 AromaticContact CD2-CD1 3.67Å; F303-Y330 HydrophobicContact CD2-CD1 3.67Å; F303-Y330 HydrophobicContact CD2-CG 4.11Å; F303-Y330 VanDerWaalsContact CE2-O 3.27Å; F303-Y330 WeakPolarHBondContact CE2-O 3.31Å; F303-Y330 HydrophobicContact CG-CD1 4.01Å; F303-Y330 WeakPolarHBondContact CZ-O 3.37Å; F303-L332 HydrophobicContact CE2-CD1 3.99Å; F303-L332 HydrophobicContact CE2-CD2 3.99Å; F303-L332 HydrophobicContact CE2-CG 3.85Å; F303-L332 HydrophobicContact CZ-CD2 4.28Å | ||
| 304 | P | 75.3 | Confident | 79.9 | Confident | 108 Ų | 108 | 58.4 Ų | 58.4 | 70% | 0.701 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -34.6 | 177.8 | -27.3 | 36 | 0 | 0 | 0 | 113.7 | I306 | P304-I306 PolarHBondContact O-N 3.49Š|
| 305 | E | 74.1 | Confident | 79.9 | Confident | 168 Ų | 168 | 55.5 Ų | 55.5 | 79% | 0.785 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -23.5 | 178.5 | -61.9 | 177.6 | 172.5 | 0 | 0 | 113.6 | F303 | F303-E305 PolarHBondContact O-N 3.4Š|
| 306 | I | 77.6 | Confident | 79.8 | Confident | 70 Ų | 70 | 58.2 Ų | 58.2 | 36% | 0.359 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -132.3 | 78.8 | -177.7 | -49.8 | 178.1 | 0 | 0 | 0 | 108.5 | F303 P304 Y308 K309 Y330 | F303-I306 CarbonylContact O-C 3.52Å; F303-I306 PolarHBondContact O-N 3.43Å; F303-I306 VanDerWaalsContact O-N 3.12Å; P304-I306 PolarHBondContact O-N 3.49Å; I306-Y308 PolarHBondContact O-N 3.04Å; I306-K309 HydrophobicContact CG2-CD 4.44Å; I306-K309 HydrophobicContact CG2-CG 3.97Å; I306-Y330 WeakPolarHBondContact O-CE1 3.15Å |
| 307 | P | 75.1 | Confident | 79.9 | Confident | 47 Ų | 47 | 54.2 Ų | 54.2 | 31% | 0.305 | 28% | 0.283 | S | S | . | . | trans | -64.8 | -20.5 | -165.8 | 23 | -34.5 | 0 | 0 | 0 | 114.9 | Y298 G299 G300 L1506 | Y298-P307 CarbonylContact C-O 3.59Å; Y298-P307 WeakPolarHBondContact CA-O 3.41Å; G299-P307 PolarHBondContact N-O 3.24Å; G300-P307 PolarHBondContact N-O 2.86Å; P307-L1506 HydrophobicContact CG-CD2 3.86Å | ||
| 308 | Y | 85.1 | Confident | 80 | Confident | 100 Ų | 100 | 56.8 Ų | 56.8 | 39% | 0.392 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 156.7 | 171.7 | 71 | -86.9 | 0 | 0 | 0 | 112.4 | I297 Y298 I306 Y330 | I297-Y308 CarbonylContact O-C 3.59Å; I297-Y308 VanDerWaalsContact O-CA 3.27Å; I297-Y308 WeakPolarHBondContact O-CA 3.17Å; Y298-Y308 HydrophobicContact CE1-CD1 4.33Å; Y298-Y308 HydrophobicContact CE1-CG 4.33Å; I306-Y308 PolarHBondContact O-N 3.04Å; Y308-Y330 WeakPolarHBondContact CA-OH 3.33Å |
| 309 | K | 81.6 | Confident | 80.2 | Confident | 41 Ų | 41 | 53.1 Ų | 53.1 | 18% | 0.178 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 146.4 | 166.6 | -63.6 | -173.6 | -162.9 | -122.3 | 0 | 109.9 | I297 I306 K329 Y330 | I297-K309 PolarHBondContact N-O 3.1Å; I297-K309 PolarHBondContact O-N 2.85Å; I306-K309 HydrophobicContact CG2-CD 4.44Å; I306-K309 HydrophobicContact CG2-CG 3.97Å; K309-K329 HydrophobicContact CD-CB 3.78Å; K309-K329 WeakPolarHBondContact CD-O 2.88Å; K309-K329 WeakPolarHBondContact CE-O 3.29Å; K309-K329 PolarHBondContact NZ-O 2.85Å; K309-Y330 HydrophobicContact CB-CE2 4.44Å; K309-Y330 HydrophobicContact CD-CD1 4.03Å; K309-Y330 HydrophobicContact CD-CD2 4.28Å; K309-Y330 HydrophobicContact CD-CE1 3.88Å; K309-Y330 HydrophobicContact CD-CE2 4.13Å; K309-Y330 HydrophobicContact CD-CG 4.18Å; K309-Y330 HydrophobicContact CG-CE1 3.95Å; K309-Y330 HydrophobicContact CG-CE2 4.24Å; K309-Y330 PolarHBondContact N-OH 2.93Å |
| 310 | T | 84.1 | Confident | 80.5 | Confident | 65 Ų | 65 | 53.9 Ų | 53.9 | 40% | 0.399 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 127.9 | 177.3 | -52.5 | 0 | 0 | 0 | 0 | 109.5 | T294 L295 K329 | T294-T310 HydrophobicContact CG2-CG2 4.39Å; L295-T310 WeakPolarHBondContact O-CA 3.39Å; T310-K329 PolarHBondContact O-NZ 3.17Å; T310-K329 VanDerWaalsContact O-NZ 3.07Å |
| 311 | L | 83.5 | Confident | 81 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 151.7 | 169 | -52.8 | -171 | 0 | 0 | 0 | 109.9 | T294 L295 I297 I313 I322 E325 K329 | T294-L311 CarbonylContact C-O 3.45Å; T294-L311 VanDerWaalsContact CA-O 3.27Å; T294-L311 WeakPolarHBondContact CA-O 3.37Å; L295-L311 PolarHBondContact N-O 3.16Å; L295-L311 PolarHBondContact O-N 3.23Å; I297-L311 HydrophobicContact CD1-CD1 4.43Å; I297-L311 HydrophobicContact CG1-CD1 3.78Å; I297-L311 HydrophobicContact CG1-CG 3.81Å; L311-I313 HydrophobicContact CB-CG2 3.74Å; L311-I313 HydrophobicContact CD1-CG2 4.34Å; L311-I322 HydrophobicContact CD1-CB 4.42Å; L311-I322 HydrophobicContact CD1-CG1 4.42Å; L311-I322 HydrophobicContact CD1-CG2 3.93Å; L311-E325 HydrophobicContact CD1-CB 4.2Å; L311-E325 HydrophobicContact CD2-CB 4.38Å; L311-E325 HydrophobicContact CD2-CG 4.17Å; L311-K329 HydrophobicContact CD2-CD 3.64Å |
| 312 | L | 82.5 | Confident | 81.7 | Confident | 33 Ų | 33 | 49.3 Ų | 49.3 | 17% | 0.173 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 112.6 | 167 | 173.9 | 66.7 | 0 | 0 | 0 | 105.5 | L276 K279 M283 T294 | L276-L312 HydrophobicContact CD2-CD2 3.94Å; K279-L312 HydrophobicContact CB-CD2 4.1Å; K279-L312 HydrophobicContact CD-CB 4.28Å; K279-L312 HydrophobicContact CD-CD2 4.27Å; K279-L312 PolarHBondContact NZ-O 3.18Å; M283-L312 HydrophobicContact CE-CD1 4.2Å; M283-L312 HydrophobicContact CE-CG 4.39Å; M283-L312 HydrophobicContact SD-CD1 4.38Å; M283-L312 HydrophobicContact SD-CD2 4.22Å; M283-L312 HydrophobicContact SD-CG 3.98Å; T294-L312 HydrophobicContact CG2-CD1 4.24Å |
| 313 | I | 82.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 153.1 | -167.3 | 59.3 | 167.6 | 0 | 0 | 0 | 111.6 | M283 G293 L295 L311 D317 I322 L370 | M283-I313 WeakPolarHBondContact CE-O 3.46Å; G293-I313 PolarHBondContact N-O 3.44Å; G293-I313 PolarHBondContact O-N 2.9Å; L295-I313 HydrophobicContact CB-CD1 3.63Å; L295-I313 HydrophobicContact CB-CG1 4.16Å; L295-I313 HydrophobicContact CD2-CD1 3.67Å; L295-I313 HydrophobicContact CG-CD1 4.3Å; L311-I313 HydrophobicContact CB-CG2 3.74Å; L311-I313 HydrophobicContact CD1-CG2 4.34Å; I313-D317 WeakPolarHBondContact CA-OD2 3.39Å; I313-D317 HydrophobicContact CB-CB 4.12Å; I313-D317 VanDerWaalsContact CB-OD2 3.26Å; I313-D317 WeakPolarHBondContact CB-OD2 3.41Å; I313-I322 HydrophobicContact CD1-CD1 3.82Å; I313-I322 HydrophobicContact CG2-CG1 4.17Å; I313-L370 HydrophobicContact CD1-CB 3.94Å; I313-L370 HydrophobicContact CG1-CB 4.46Å; I313-L370 HydrophobicContact CG1-CD2 4.32Å |
| 314 | S | 81.6 | Confident | 83 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 3% | 0.028 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 161.3 | 168.2 | -169 | 0 | 0 | 0 | 0 | 111.4 | T316 D317 | S314-T316 PolarHBondContact O-N 3.38Å; S314-T316 PolarHBondContact OG-N 2.86Å; S314-T316 PolarHBondContact OG-OG1 3.12Å; S314-D317 PolarHBondContact N-OD2 2.85Å; S314-D317 PolarHBondContact O-N 2.94Å |
| 315 | I | 80.8 | Confident | 83.6 | Confident | 44 Ų | 44 | 46.6 Ų | 46.6 | 23% | 0.226 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -31.1 | 160.8 | -72.4 | -179.8 | 0 | 0 | 0 | 110.5 | S291 C368 L370 E371 L374 | S291-I315 WeakPolarHBondContact O-CG1 3.14Å; S291-I315 PolarHBondContact O-N 2.9Å; I315-C368 VanDerWaalsContact O-CB 3.25Å; I315-C368 WeakPolarHBondContact O-CB 3.35Å; I315-L370 HydrophobicContact CG1-CD2 3.9Å; I315-L370 HydrophobicContact CG1-CG 4.17Å; I315-E371 HydrophobicContact CG2-CB 3.76Å; I315-E371 HydrophobicContact CG2-CG 4.04Å; I315-L374 HydrophobicContact CD1-CD1 3.43Å; I315-L374 VanDerWaalsContact CD1-CD1 3.43Å; I315-L374 HydrophobicContact CG1-CD1 3.68Å |
| 316 | T | 80.1 | Confident | 84.2 | Confident | 69 Ų | 69 | 38.7 Ų | 38.7 | 42% | 0.423 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 4.4 | -177.2 | 44.9 | 0 | 0 | 0 | 0 | 115.3 | D287 S314 | D287-T316 WeakPolarHBondContact OD2-CB 3.38Å; D287-T316 WeakPolarHBondContact OD2-CG2 3.41Å; D287-T316 PolarHBondContact OD2-OG1 2.65Å; S314-T316 PolarHBondContact O-N 3.38Å; S314-T316 PolarHBondContact OG-N 2.86Å; S314-T316 PolarHBondContact OG-OG1 3.12Å |
| 317 | D | 84.5 | Confident | 84.6 | Confident | 30 Ų | 30 | 35.4 Ų | 35.4 | 16% | 0.16 | 18% | 0.176 | C | C | . | . | trans | -80.4 | 120.4 | 176.6 | -74.1 | -21.3 | 0 | 0 | 0 | 111.1 | I313 S314 Y321 I322 C368 P369 | I313-D317 WeakPolarHBondContact CA-OD2 3.39Å; I313-D317 HydrophobicContact CB-CB 4.12Å; I313-D317 VanDerWaalsContact CB-OD2 3.26Å; I313-D317 WeakPolarHBondContact CB-OD2 3.41Å; S314-D317 PolarHBondContact N-OD2 2.85Å; S314-D317 PolarHBondContact O-N 2.94Å; D317-Y321 HydrophobicContact CB-CD1 3.94Å; D317-Y321 HydrophobicContact CB-CE1 4.42Å; D317-I322 HydrophobicContact CB-CD1 4.47Å; D317-C368 WeakPolarHBondContact O-CA 3.29Å; D317-P369 VanDerWaalsContact O-CD 3.26Å; D317-P369 WeakPolarHBondContact O-CD 3.32Å | ||
| 318 | N | 88.5 | Confident | 85 | Confident | 55 Ų | 55 | 37 Ų | 37 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | trans | -83.7 | 166.6 | -178.4 | 79.4 | -18.8 | 0 | 0 | 0 | 113.9 | G320 Y321 I322 D365 L367 | N318-G320 VanDerWaalsContact C-N 3.29Å; N318-G320 PolarHBondContact O-N 3.06Å; N318-Y321 WeakPolarHBondContact O-CB 3.49Å; N318-Y321 PolarHBondContact O-N 2.94Å; N318-Y321 VanDerWaalsContact O-N 3.11Å; N318-Y321 WeakPolarHBondContact OD1-CB 3.39Å; N318-Y321 PolarHBondContact OD1-N 2.78Å; N318-I322 PolarHBondContact O-N 3.1Å; N318-D365 WeakPolarHBondContact CB-O 3.32Å; N318-D365 PolarHBondContact ND2-O 3.3Å; N318-L367 CarbonylContact C-O 3.24Å; N318-L367 VanDerWaalsContact CA-O 3.27Å; N318-L367 WeakPolarHBondContact CA-O 3.14Å | ||
| 319 | V | 87.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -53.5 | -44 | 178 | 164.1 | 0 | 0 | 0 | 0 | 111.9 | Y321 I322 I323 L342 L363 S364 D365 L367 P369 | V319-Y321 VanDerWaalsContact C-N 3.33Å; V319-Y321 PolarHBondContact O-N 3.23Å; V319-I322 PolarHBondContact O-N 3.23Å; V319-I322 VanDerWaalsContact O-N 3.1Å; V319-I323 HydrophobicContact CG1-CD1 3.66Å; V319-I323 HydrophobicContact CG1-CG1 4.27Å; V319-I323 WeakPolarHBondContact O-CG1 3.49Å; V319-I323 PolarHBondContact O-N 3.13Å; V319-L342 HydrophobicContact CG1-CB 3.83Å; V319-L342 HydrophobicContact CG2-CD2 4.15Å; V319-L363 HydrophobicContact CG2-CB 3.62Å; V319-L363 HydrophobicContact CG2-CD1 4.27Å; V319-S364 WeakPolarHBondContact CG2-O 3.35Å; V319-D365 PolarHBondContact N-O 3.28Å; V319-L367 HydrophobicContact CG2-CB 4.28Å; V319-L367 WeakPolarHBondContact CG2-O 3.23Å; V319-L367 PolarHBondContact N-O 2.81Å; V319-P369 HydrophobicContact CG2-CG 3.68Å |
| 320 | G | 85.7 | Confident | 84.9 | Confident | 16 Ų | 16 | 34.5 Ų | 34.5 | 17% | 0.165 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.7 | -32.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N318 R324 | N318-G320 VanDerWaalsContact C-N 3.29Å; N318-G320 PolarHBondContact O-N 3.06Å; G320-R324 PolarHBondContact O-N 3.07Å |
| 321 | Y | 88.1 | Confident | 84.8 | Confident | 86 Ų | 86 | 34 Ų | 34 | 34% | 0.337 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -69.2 | -44.9 | 169.5 | 177.8 | -87.9 | 0 | 0 | 0 | 111.3 | D317 N318 V319 R324 E325 | D317-Y321 HydrophobicContact CB-CD1 3.94Å; D317-Y321 HydrophobicContact CB-CE1 4.42Å; N318-Y321 WeakPolarHBondContact O-CB 3.49Å; N318-Y321 PolarHBondContact O-N 2.94Å; N318-Y321 VanDerWaalsContact O-N 3.11Å; N318-Y321 WeakPolarHBondContact OD1-CB 3.39Å; N318-Y321 PolarHBondContact OD1-N 2.78Å; V319-Y321 VanDerWaalsContact C-N 3.33Å; V319-Y321 PolarHBondContact O-N 3.23Å; Y321-R324 PolarHBondContact O-N 3.19Å; Y321-E325 HydrophobicContact CE1-CB 4.41Å; Y321-E325 PolarHBondContact O-N 2.83Å |
| 322 | I | 89 | Confident | 84.7 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.7 | -39.2 | -177.1 | -75.9 | 163.4 | 0 | 0 | 0 | 112.2 | L295 I297 L311 I313 D317 N318 V319 R324 S326 L342 P369 | L295-I322 HydrophobicContact CD2-CD1 4.28Å; I297-I322 HydrophobicContact CD1-CG2 3.72Å; I297-I322 HydrophobicContact CG1-CG2 4.37Å; L311-I322 HydrophobicContact CD1-CB 4.42Å; L311-I322 HydrophobicContact CD1-CG1 4.42Å; L311-I322 HydrophobicContact CD1-CG2 3.93Å; I313-I322 HydrophobicContact CD1-CD1 3.82Å; I313-I322 HydrophobicContact CG2-CG1 4.17Å; D317-I322 HydrophobicContact CB-CD1 4.47Å; N318-I322 PolarHBondContact O-N 3.1Å; V319-I322 PolarHBondContact O-N 3.23Å; V319-I322 VanDerWaalsContact O-N 3.1Å; I322-R324 VanDerWaalsContact C-N 3.35Å; I322-S326 VanDerWaalsContact O-CB 3.25Å; I322-S326 WeakPolarHBondContact O-CB 3.38Å; I322-S326 PolarHBondContact O-N 2.8Å; I322-S326 PolarHBondContact O-OG 2.97Å; I322-L342 HydrophobicContact CG2-CD1 4.41Å; I322-L342 HydrophobicContact CG2-CD2 3.73Å; I322-P369 HydrophobicContact CD1-CB 4.28Å; I322-P369 VanDerWaalsContact CD1-CD 3.46Å; I322-P369 HydrophobicContact CD1-CG 3.59Å |
| 323 | I | 88.5 | Confident | 84.4 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.9 | -46.3 | 172.4 | -69.9 | 168.9 | 0 | 0 | 0 | 109.6 | V319 S326 L327 P337 L342 | V319-I323 HydrophobicContact CG1-CD1 3.66Å; V319-I323 HydrophobicContact CG1-CG1 4.27Å; V319-I323 WeakPolarHBondContact O-CG1 3.49Å; V319-I323 PolarHBondContact O-N 3.13Å; I323-S326 WeakPolarHBondContact O-CB 3.37Å; I323-S326 PolarHBondContact O-N 2.84Å; I323-L327 HydrophobicContact CG2-CD1 3.95Å; I323-L327 HydrophobicContact CG2-CG 4.4Å; I323-L327 WeakPolarHBondContact O-CG 3.45Å; I323-L327 PolarHBondContact O-N 3.21Å; I323-P337 HydrophobicContact CG2-CB 4.07Å; I323-L342 HydrophobicContact CD1-CB 4.4Å; I323-L342 HydrophobicContact CG1-CB 4.33Å |
| 324 | R | 87.9 | Confident | 84.2 | Confident | 120 Ų | 120 | 49.5 Ų | 49.5 | 45% | 0.453 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 179 | -164.8 | 177.8 | -66.5 | 107.4 | 2.2 | 113.2 | G320 Y321 I322 S326 N328 | G320-R324 PolarHBondContact O-N 3.07Å; Y321-R324 PolarHBondContact O-N 3.19Å; I322-R324 VanDerWaalsContact C-N 3.35Å; R324-S326 VanDerWaalsContact C-N 3.25Å; R324-S326 PolarHBondContact O-N 3.18Å; R324-N328 WeakPolarHBondContact O-CB 3.32Å; R324-N328 VanDerWaalsContact O-CG 3.25Å; R324-N328 PolarHBondContact O-N 3.48Å; R324-N328 VanDerWaalsContact O-N 3.13Å; R324-N328 PolarHBondContact O-OD1 3.39Å; R324-N328 VanDerWaalsContact O-OD1 3.05Å |
| 325 | E | 86.3 | Confident | 84 | Confident | 27 Ų | 27 | 50.8 Ų | 50.8 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.3 | -32.1 | 173.9 | -157.4 | -163.3 | 161.4 | 0 | 0 | 111.2 | K279 L311 Y321 K329 | K279-E325 VanDerWaalsContact CE-OE1 3.23Å; K279-E325 WeakPolarHBondContact CE-OE1 3.25Å; K279-E325 VanDerWaalsContact NZ-CD 3.27Å; K279-E325 IonicContact NZ-OE1 3.2Å; K279-E325 PolarHBondContact NZ-OE1 3.32Å; K279-E325 VanDerWaalsContact NZ-OE1 3.07Å; K279-E325 IonicContact NZ-OE2 2.72Å; K279-E325 PolarHBondContact NZ-OE2 2.95Å; L311-E325 HydrophobicContact CD1-CB 4.2Å; L311-E325 HydrophobicContact CD2-CB 4.38Å; L311-E325 HydrophobicContact CD2-CG 4.17Å; Y321-E325 HydrophobicContact CE1-CB 4.41Å; Y321-E325 PolarHBondContact O-N 2.83Å; E325-K329 WeakPolarHBondContact O-CB 3.27Å; E325-K329 WeakPolarHBondContact O-CG 3.06Å; E325-K329 PolarHBondContact O-N 3.46Å; E325-K329 WeakPolarHBondContact OE1-CE 3.37Å; E325-K329 IonicContact OE1-NZ 3.69Å; E325-K329 PolarHBondContact OE1-NZ 2.93Å |
| 326 | S | 87 | Confident | 84 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.8 | -56.2 | 175.2 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | I322 I323 R324 N328 K329 Y330 | I322-S326 VanDerWaalsContact O-CB 3.25Å; I322-S326 WeakPolarHBondContact O-CB 3.38Å; I322-S326 PolarHBondContact O-N 2.8Å; I322-S326 PolarHBondContact O-OG 2.97Å; I323-S326 WeakPolarHBondContact O-CB 3.37Å; I323-S326 PolarHBondContact O-N 2.84Å; R324-S326 VanDerWaalsContact C-N 3.25Å; R324-S326 PolarHBondContact O-N 3.18Å; S326-N328 VanDerWaalsContact C-N 3.34Å; S326-N328 PolarHBondContact O-N 3.39Å; S326-K329 CarbonylContact O-C 3.49Å; S326-K329 WeakPolarHBondContact O-CA 3.42Å; S326-K329 PolarHBondContact O-N 3.38Å; S326-Y330 WeakPolarHBondContact O-CD2 3.29Å; S326-Y330 PolarHBondContact O-N 3.2Å |
| 327 | L | 86.6 | Confident | 84.1 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -54.6 | -48.6 | -180 | -69.8 | 171 | 0 | 0 | 0 | 111.3 | L302 I323 K329 Y330 G331 L332 A335 P337 Y340 | L302-L327 HydrophobicContact CD1-CD2 4.46Å; I323-L327 HydrophobicContact CG2-CD1 3.95Å; I323-L327 HydrophobicContact CG2-CG 4.4Å; I323-L327 WeakPolarHBondContact O-CG 3.45Å; I323-L327 PolarHBondContact O-N 3.21Å; L327-K329 VanDerWaalsContact C-N 3.34Å; L327-K329 PolarHBondContact O-N 3.43Å; L327-Y330 CarbonylContact O-C 3.56Å; L327-Y330 WeakPolarHBondContact O-CA 3.24Å; L327-Y330 PolarHBondContact O-N 2.73Å; L327-G331 PolarHBondContact O-N 2.78Å; L327-G331 VanDerWaalsContact O-N 3.08Å; L327-L332 HydrophobicContact CB-CB 4.2Å; L327-L332 HydrophobicContact CD2-CB 4.14Å; L327-L332 HydrophobicContact CD2-CD1 3.78Å; L327-L332 PolarHBondContact O-N 3.27Å; L327-A335 HydrophobicContact CD1-CB 4.41Å; L327-A335 HydrophobicContact CD2-CB 4.44Å; L327-P337 HydrophobicContact CD1-CB 4.24Å; L327-Y340 HydrophobicContact CD1-CD2 3.72Å; L327-Y340 HydrophobicContact CD1-CE2 3.88Å; L327-Y340 HydrophobicContact CD2-CD1 4.45Å; L327-Y340 HydrophobicContact CD2-CD2 3.96Å; L327-Y340 HydrophobicContact CD2-CE1 4.22Å; L327-Y340 HydrophobicContact CD2-CE2 3.71Å; L327-Y340 HydrophobicContact CD2-CG 4.33Å; L327-Y340 HydrophobicContact CG-CD2 4.41Å; L327-Y340 HydrophobicContact CG-CE2 4.46Å |
| 328 | N | 84.5 | Confident | 84 | Confident | 79 Ų | 79 | 56 Ų | 56 | 42% | 0.422 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.7 | -42.7 | 175.8 | -66.2 | 22.4 | 0 | 0 | 0 | 111.9 | R324 S326 Y330 G331 D333 | R324-N328 WeakPolarHBondContact O-CB 3.32Å; R324-N328 VanDerWaalsContact O-CG 3.25Å; R324-N328 PolarHBondContact O-N 3.48Å; R324-N328 VanDerWaalsContact O-N 3.13Å; R324-N328 PolarHBondContact O-OD1 3.39Å; R324-N328 VanDerWaalsContact O-OD1 3.05Å; S326-N328 VanDerWaalsContact C-N 3.34Å; S326-N328 PolarHBondContact O-N 3.39Å; N328-Y330 VanDerWaalsContact C-N 3.31Å; N328-Y330 PolarHBondContact O-N 3.08Å; N328-G331 PolarHBondContact O-N 2.97Å; N328-D333 VanDerWaalsContact CA-OD1 3.32Å; N328-D333 WeakPolarHBondContact CA-OD1 3.16Å; N328-D333 WeakPolarHBondContact CB-OD1 3.39Å |
| 329 | K | 82.7 | Confident | 83.7 | Confident | 81 Ų | 81 | 55.2 Ų | 55.2 | 35% | 0.352 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.7 | -25.4 | 174.9 | -77.1 | -165.2 | -165.3 | 170.4 | 0 | 114 | K309 T310 L311 E325 S326 L327 G331 | K309-K329 HydrophobicContact CD-CB 3.78Å; K309-K329 WeakPolarHBondContact CD-O 2.88Å; K309-K329 WeakPolarHBondContact CE-O 3.29Å; K309-K329 PolarHBondContact NZ-O 2.85Å; T310-K329 PolarHBondContact O-NZ 3.17Å; T310-K329 VanDerWaalsContact O-NZ 3.07Å; L311-K329 HydrophobicContact CD2-CD 3.64Å; E325-K329 WeakPolarHBondContact O-CB 3.27Å; E325-K329 WeakPolarHBondContact O-CG 3.06Å; E325-K329 PolarHBondContact O-N 3.46Å; E325-K329 WeakPolarHBondContact OE1-CE 3.37Å; E325-K329 IonicContact OE1-NZ 3.69Å; E325-K329 PolarHBondContact OE1-NZ 2.93Å; S326-K329 CarbonylContact O-C 3.49Å; S326-K329 WeakPolarHBondContact O-CA 3.42Å; S326-K329 PolarHBondContact O-N 3.38Å; L327-K329 VanDerWaalsContact C-N 3.34Å; L327-K329 PolarHBondContact O-N 3.43Å; K329-G331 VanDerWaalsContact C-N 3.27Å |
| 330 | Y | 81.1 | Confident | 83.6 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -80.1 | -5.1 | 170.5 | -77 | -74.8 | 0 | 0 | 0 | 112.9 | I297 G299 L302 F303 I306 Y308 K309 S326 L327 N328 | I297-Y330 PolarHBondContact O-OH 3.15Å; G299-Y330 WeakPolarHBondContact CA-OH 3.16Å; G299-Y330 PolarHBondContact N-OH 2.66Å; L302-Y330 HydrophobicContact CD1-CD2 4.33Å; F303-Y330 HydrophobicContact CB-CD1 3.86Å; F303-Y330 HydrophobicContact CB-CE1 4.19Å; F303-Y330 AromaticContact CD2-CD1 3.67Å; F303-Y330 HydrophobicContact CD2-CD1 3.67Å; F303-Y330 HydrophobicContact CD2-CG 4.11Å; F303-Y330 VanDerWaalsContact CE2-O 3.27Å; F303-Y330 WeakPolarHBondContact CE2-O 3.31Å; F303-Y330 HydrophobicContact CG-CD1 4.01Å; F303-Y330 WeakPolarHBondContact CZ-O 3.37Å; I306-Y330 WeakPolarHBondContact O-CE1 3.15Å; Y308-Y330 WeakPolarHBondContact CA-OH 3.33Å; K309-Y330 HydrophobicContact CB-CE2 4.44Å; K309-Y330 HydrophobicContact CD-CD1 4.03Å; K309-Y330 HydrophobicContact CD-CD2 4.28Å; K309-Y330 HydrophobicContact CD-CE1 3.88Å; K309-Y330 HydrophobicContact CD-CE2 4.13Å; K309-Y330 HydrophobicContact CD-CG 4.18Å; K309-Y330 HydrophobicContact CG-CE1 3.95Å; K309-Y330 HydrophobicContact CG-CE2 4.24Å; K309-Y330 PolarHBondContact N-OH 2.93Å; S326-Y330 WeakPolarHBondContact O-CD2 3.29Å; S326-Y330 PolarHBondContact O-N 3.2Å; L327-Y330 CarbonylContact O-C 3.56Å; L327-Y330 WeakPolarHBondContact O-CA 3.24Å; L327-Y330 PolarHBondContact O-N 2.73Å; N328-Y330 VanDerWaalsContact C-N 3.31Å; N328-Y330 PolarHBondContact O-N 3.08Å |
| 331 | G | 80.9 | Confident | 83.7 | Confident | 53 Ų | 53 | 57.8 Ų | 57.8 | 55% | 0.546 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 18.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L327 N328 K329 | L327-G331 PolarHBondContact O-N 2.78Å; L327-G331 VanDerWaalsContact O-N 3.08Å; N328-G331 PolarHBondContact O-N 2.97Å; K329-G331 VanDerWaalsContact C-N 3.27Å |
| 332 | L | 81.3 | Confident | 83.6 | Confident | 47 Ų | 47 | 53.7 Ų | 53.7 | 25% | 0.246 | 29% | 0.289 | C | S | . | . | trans | -99.1 | 46.6 | 177.9 | -61.8 | 177.2 | 0 | 0 | 0 | 110.9 | F303 L327 E334 A335 | F303-L332 HydrophobicContact CE2-CD1 3.99Å; F303-L332 HydrophobicContact CE2-CD2 3.99Å; F303-L332 HydrophobicContact CE2-CG 3.85Å; F303-L332 HydrophobicContact CZ-CD2 4.28Å; L327-L332 HydrophobicContact CB-CB 4.2Å; L327-L332 HydrophobicContact CD2-CB 4.14Å; L327-L332 HydrophobicContact CD2-CD1 3.78Å; L327-L332 PolarHBondContact O-N 3.27Å; L332-E334 PolarHBondContact O-N 3.38Å; L332-E334 VanDerWaalsContact O-N 3.11Å; L332-A335 HydrophobicContact CB-CB 3.87Å; L332-A335 WeakPolarHBondContact O-CB 3.43Å; L332-A335 PolarHBondContact O-N 3.38Å | ||
| 333 | D | 76.5 | Confident | 83.4 | Confident | 113 Ų | 113 | 54.1 Ų | 54.1 | 60% | 0.604 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19 | -175.7 | -63.8 | -52.1 | 0 | 0 | 0 | 113.8 | N328 | N328-D333 VanDerWaalsContact CA-OD1 3.32Å; N328-D333 WeakPolarHBondContact CA-OD1 3.16Å; N328-D333 WeakPolarHBondContact CB-OD1 3.39Å |
| 334 | E | 78.4 | Confident | 83.2 | Confident | 202 Ų | 202 | 54.2 Ų | 54.2 | 94% | 0.944 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -0.9 | 176.3 | -59.8 | -166.3 | 152.1 | 0 | 0 | 113.7 | L332 | L332-E334 PolarHBondContact O-N 3.38Å; L332-E334 VanDerWaalsContact O-N 3.11Å |
| 335 | A | 77.9 | Confident | 82.5 | Confident | 31 Ų | 31 | 52.3 Ų | 52.3 | 26% | 0.256 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -81.2 | 139.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L327 L332 P337 Y340 | L327-A335 HydrophobicContact CD1-CB 4.41Å; L327-A335 HydrophobicContact CD2-CB 4.44Å; L332-A335 HydrophobicContact CB-CB 3.87Å; L332-A335 WeakPolarHBondContact O-CB 3.43Å; L332-A335 PolarHBondContact O-N 3.38Å; A335-P337 WeakPolarHBondContact O-CD 3.46Å; A335-Y340 HydrophobicContact CB-CE2 4.15Å |
| 336 | D | 82.2 | Confident | 81.8 | Confident | 99 Ų | 99 | 54.6 Ų | 54.6 | 53% | 0.529 | 29% | 0.294 | S | S | . | . | trans | -69 | 117.5 | 176.1 | -170.5 | -7.9 | 0 | 0 | 0 | 110.4 | D338 A339 Y340 | D336-D338 PolarHBondContact O-N 3.03Å; D336-D338 PolarHBondContact OD1-N 2.97Å; D336-D338 VanDerWaalsContact OD1-N 3.14Å; D336-A339 HydrophobicContact CB-CB 4.29Å; D336-A339 WeakPolarHBondContact O-CB 3.26Å; D336-A339 PolarHBondContact O-N 2.91Å; D336-Y340 VanDerWaalsContact O-CD2 3.25Å; D336-Y340 WeakPolarHBondContact O-CD2 3.19Å; D336-Y340 WeakPolarHBondContact O-CE2 3.24Å | ||
| 337 | P | 80.5 | Confident | 80.8 | Confident | 24 Ų | 24 | 59.5 Ų | 59.5 | 16% | 0.156 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -63.7 | -27.3 | 179.5 | 26.7 | -34.8 | 0 | 0 | 0 | 112.8 | I323 L327 A335 A339 Y340 | I323-P337 HydrophobicContact CG2-CB 4.07Å; L327-P337 HydrophobicContact CD1-CB 4.24Å; A335-P337 WeakPolarHBondContact O-CD 3.46Å; P337-A339 PolarHBondContact O-N 3.41Å; P337-Y340 PolarHBondContact O-N 3.48Å |
| 338 | D | 82.3 | Confident | 79.9 | Confident | 128 Ų | 128 | 64.4 Ų | 64.4 | 68% | 0.684 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -72.5 | -12.9 | -178.4 | -59.6 | 7.3 | 0 | 0 | 0 | 111.3 | D336 Y340 S1903 | D336-D338 PolarHBondContact O-N 3.03Å; D336-D338 PolarHBondContact OD1-N 2.97Å; D336-D338 VanDerWaalsContact OD1-N 3.14Å; D338-Y340 VanDerWaalsContact C-N 3.25Å; D338-Y340 PolarHBondContact O-N 2.99Å; D338-S1903 PolarHBondContact O-OG 3.25Å; D338-S1903 VanDerWaalsContact O-OG 3.12Å |
| 339 | A | 82.6 | Confident | 78.7 | Confident | 40 Ų | 40 | 65.1 Ų | 65.1 | 33% | 0.331 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -81.7 | 7.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D336 P337 P1902 S1903 | D336-A339 HydrophobicContact CB-CB 4.29Å; D336-A339 WeakPolarHBondContact O-CB 3.26Å; D336-A339 PolarHBondContact O-N 2.91Å; P337-A339 PolarHBondContact O-N 3.41Å; A339-P1902 CarbonylContact O-C 3.55Å; A339-P1902 WeakPolarHBondContact O-CA 3.33Å; A339-S1903 WeakPolarHBondContact CA-OG 3.22Å; A339-S1903 PolarHBondContact O-N 3.17Å; A339-S1903 PolarHBondContact O-OG 3.39Å |
| 340 | Y | 85.8 | Confident | 77.7 | Confident | 44 Ų | 44 | 67 Ų | 67 | 17% | 0.173 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 161 | -179.2 | -57.5 | -89.9 | 0 | 0 | 0 | 112.1 | L302 L327 A335 D336 P337 D338 V1900 L1901 P1902 | L302-Y340 HydrophobicContact CD2-CD1 4.03Å; L302-Y340 HydrophobicContact CD2-CE1 3.57Å; L327-Y340 HydrophobicContact CD1-CD2 3.72Å; L327-Y340 HydrophobicContact CD1-CE2 3.88Å; L327-Y340 HydrophobicContact CD2-CD1 4.45Å; L327-Y340 HydrophobicContact CD2-CD2 3.96Å; L327-Y340 HydrophobicContact CD2-CE1 4.22Å; L327-Y340 HydrophobicContact CD2-CE2 3.71Å; L327-Y340 HydrophobicContact CD2-CG 4.33Å; L327-Y340 HydrophobicContact CG-CD2 4.41Å; L327-Y340 HydrophobicContact CG-CE2 4.46Å; A335-Y340 HydrophobicContact CB-CE2 4.15Å; D336-Y340 VanDerWaalsContact O-CD2 3.25Å; D336-Y340 WeakPolarHBondContact O-CD2 3.19Å; D336-Y340 WeakPolarHBondContact O-CE2 3.24Å; P337-Y340 PolarHBondContact O-N 3.48Å; D338-Y340 VanDerWaalsContact C-N 3.25Å; D338-Y340 PolarHBondContact O-N 2.99Å; Y340-V1900 HydrophobicContact CD1-CG1 4.07Å; Y340-V1900 HydrophobicContact CG-CG1 4.27Å; Y340-L1901 CarbonylContact C-O 3.59Å; Y340-L1901 VanDerWaalsContact CA-O 3.24Å; Y340-L1901 WeakPolarHBondContact CA-O 3.2Å; Y340-P1902 HydrophobicContact CE1-CG 4.41Å |
| 341 | C | 87.6 | Confident | 77 | Confident | 26 Ų | 26 | 67.6 Ų | 67.6 | 18% | 0.176 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 159.4 | 172.6 | 67.2 | 0 | 0 | 0 | 0 | 111.6 | I362 V1900 L1901 | C341-I362 HydrophobicContact CB-CG2 4.11Å; C341-V1900 WeakPolarHBondContact O-CA 3.46Å; C341-L1901 PolarHBondContact N-O 3.29Å; C341-L1901 PolarHBondContact O-N 2.71Å |
| 342 | L | 87.2 | Confident | 75.8 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 119.8 | 178.4 | -166.9 | 71.3 | 0 | 0 | 0 | 110.5 | I297 V319 I322 I323 L363 P369 A1898 C1899 V1900 | I297-L342 HydrophobicContact CD1-CD1 4.09Å; I297-L342 HydrophobicContact CG2-CD1 4.33Å; V319-L342 HydrophobicContact CG1-CB 3.83Å; V319-L342 HydrophobicContact CG2-CD2 4.15Å; I322-L342 HydrophobicContact CG2-CD1 4.41Å; I322-L342 HydrophobicContact CG2-CD2 3.73Å; I323-L342 HydrophobicContact CD1-CB 4.4Å; I323-L342 HydrophobicContact CG1-CB 4.33Å; L342-L363 HydrophobicContact CD2-CD1 3.96Å; L342-L363 HydrophobicContact CG-CD1 4.23Å; L342-L363 WeakPolarHBondContact O-CB 3.23Å; L342-L363 PolarHBondContact O-N 3.28Å; L342-P369 HydrophobicContact CD2-CG 4.05Å; L342-A1898 HydrophobicContact CD1-CB 4.22Å; L342-A1898 HydrophobicContact CG-CB 4.42Å; L342-C1899 WeakPolarHBondContact CA-O 3.38Å; L342-V1900 HydrophobicContact CD1-CG2 3.63Å |
| 343 | V | 84.3 | Confident | 74.7 | Confident | 8 Ų | 8 | 74.9 Ų | 74.9 | 5% | 0.048 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 122.2 | -176.9 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | E360 I362 A1898 C1899 L1901 | V343-E360 HydrophobicContact CG1-CB 3.93Å; V343-E360 HydrophobicContact CG1-CG 4.35Å; V343-I362 HydrophobicContact CG2-CG1 4.11Å; V343-A1898 CarbonylContact O-C 3.6Å; V343-A1898 VanDerWaalsContact O-CA 3.31Å; V343-A1898 WeakPolarHBondContact O-CA 3.43Å; V343-C1899 PolarHBondContact N-O 2.84Å; V343-C1899 PolarHBondContact O-N 3.09Å; V343-L1901 HydrophobicContact CB-CD1 4.41Å; V343-L1901 HydrophobicContact CG2-CD1 3.6Å; V343-L1901 HydrophobicContact CG2-CG 4.02Å |
| 344 | M | 83.4 | Confident | 74 | Confident | 4 Ų | 4 | 72.8 Ų | 72.8 | 2% | 0.02 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 123.1 | 171.8 | -174.6 | 178.3 | -65.6 | 0 | 0 | 110.1 | K346 E360 E361 L363 Y372 L373 T1897 | M344-K346 HydrophobicContact CG-CG 4.32Å; M344-K346 HydrophobicContact SD-CG 4.27Å; M344-E360 WeakPolarHBondContact O-CA 3.46Å; M344-E361 PolarHBondContact N-O 3.17Å; M344-E361 PolarHBondContact O-N 3.14Å; M344-L363 HydrophobicContact CB-CD1 4.16Å; M344-L363 HydrophobicContact CB-CD2 4.07Å; M344-L363 HydrophobicContact CB-CG 4.14Å; M344-L363 HydrophobicContact CE-CD1 4.04Å; M344-L363 HydrophobicContact CE-CD2 4Å; M344-Y372 HydrophobicContact CE-CD1 3.75Å; M344-Y372 HydrophobicContact CE-CE1 4Å; M344-Y372 HydrophobicContact SD-CD1 4.14Å; M344-Y372 HydrophobicContact SD-CE1 3.82Å; M344-L373 HydrophobicContact CE-CD1 4.23Å; M344-L373 HydrophobicContact CE-CD2 3.38Å; M344-L373 HydrophobicContact CE-CG 3.78Å; M344-L373 HydrophobicContact SD-CD2 3.65Å; M344-T1897 WeakPolarHBondContact CA-O 3.39Å |
| 345 | R | 74 | Confident | 72.8 | Confident | 81 Ų | 81 | 66.5 Ų | 66.5 | 31% | 0.306 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 108.6 | 170.7 | -170 | -176.7 | -76.1 | 156.4 | -12.8 | 109.7 | V359 E360 T1897 | R345-V359 CarbonylContact C-O 3.59Å; R345-V359 WeakPolarHBondContact CA-O 3.38Å; R345-E360 HydrophobicContact CB-CG 4.15Å; R345-E360 HydrophobicContact CG-CG 3.91Å; R345-E360 IonicContact CZ-OE1 3.87Å; R345-E360 IonicContact NE-OE1 3.1Å; R345-E360 PolarHBondContact NE-OE1 3.29Å; R345-E360 IonicContact NH2-OE1 2.75Å; R345-E360 PolarHBondContact NH2-OE1 3.47Å; R345-T1897 PolarHBondContact N-O 3.21Å |
| 346 | K | 70.5 | Confident | 71.8 | Confident | 75 Ų | 75 | 70 Ų | 70 | 33% | 0.326 | 38% | 0.382 | S | S | . | . | trans | -87 | 146.6 | 173.5 | -68.2 | 172 | 177.6 | 170.3 | 0 | 109.8 | M344 G358 V359 E361 Y372 | M344-K346 HydrophobicContact CG-CG 4.32Å; M344-K346 HydrophobicContact SD-CG 4.27Å; K346-G358 CarbonylContact O-C 3.58Å; K346-G358 VanDerWaalsContact O-C 3.24Å; K346-G358 WeakPolarHBondContact O-CA 3.35Å; K346-V359 PolarHBondContact N-O 3.19Å; K346-V359 PolarHBondContact O-N 3.18Å; K346-E361 WeakPolarHBondContact CE-OE2 3.36Å; K346-E361 IonicContact NZ-OE1 2.64Å; K346-E361 IonicContact NZ-OE2 2.75Å; K346-E361 PolarHBondContact NZ-OE2 3.07Å; K346-Y372 PolarHBondContact NZ-OH 3.14Å | ||
| 347 | R | 66.7 | Low | 70.8 | Confident | 103 Ų | 103 | 71.3 Ų | 71.3 | 39% | 0.389 | 39% | 0.394 | S | S | . | . | trans | -139 | 137.1 | 167.8 | -72.7 | -178.8 | 176.1 | 109.6 | -10.8 | 107.5 | D351 I352 F1894 | R347-D351 WeakPolarHBondContact CA-OD2 3.15Å; R347-I352 HydrophobicContact CB-CD1 4.31Å; R347-I352 HydrophobicContact CB-CG1 4.06Å; R347-F1894 HydrophobicContact CB-CE1 4.4Å; R347-F1894 WeakPolarHBondContact O-CE1 3.22Å; R347-F1894 WeakPolarHBondContact O-CZ 3.34Å | ||
| 348 | N | 66.9 | Low | 70 | Confident | 106 Ų | 106 | 70.4 Ų | 70.4 | 57% | 0.567 | 39% | 0.389 | S | S | * | . | trans | -81.4 | 165.2 | 165.4 | -61.7 | -41.7 | 0 | 0 | 0 | 110.1 | H350 D351 I352 | N348-H350 PolarHBondContact O-N 2.8Å; N348-D351 PolarHBondContact N-OD2 3.23Å; N348-D351 PolarHBondContact O-N 3.04Å; N348-I352 PolarHBondContact O-N 3Å | ||
| 349 | S | 59.4 | Low | 69.5 | Low | 93 Ų | 93 | 68.9 Ų | 68.9 | 65% | 0.65 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.6 | -30.2 | 173.2 | 45.6 | 0 | 0 | 0 | 0 | 112.7 | L353 | S349-L353 PolarHBondContact O-N 3.33Å |
| 350 | H | 61.9 | Low | 69.3 | Low | 122 Ų | 122 | 71.6 Ų | 71.6 | 57% | 0.565 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -69.2 | -46.1 | 175.2 | -167 | 49.9 | 0 | 0 | 0 | 111.8 | N348 I352 L353 T354 | N348-H350 PolarHBondContact O-N 2.8Å; H350-I352 PolarHBondContact O-N 2.76Å; H350-L353 CarbonylContact O-C 3.57Å; H350-L353 WeakPolarHBondContact O-CA 3.28Å; H350-L353 WeakPolarHBondContact O-CB 3.18Å; H350-L353 PolarHBondContact O-N 3.47Å; H350-T354 PolarHBondContact O-N 3.24Å; H350-T354 PolarHBondContact O-OG1 2.72Å |
| 351 | D | 66.5 | Low | 69.1 | Low | 21 Ų | 21 | 72.5 Ų | 72.5 | 11% | 0.112 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -57.9 | -37.9 | 178.8 | -40.1 | -10.5 | 0 | 0 | 0 | 111.9 | R347 N348 L353 G355 L356 | R347-D351 WeakPolarHBondContact CA-OD2 3.15Å; N348-D351 PolarHBondContact N-OD2 3.23Å; N348-D351 PolarHBondContact O-N 3.04Å; D351-L353 VanDerWaalsContact C-N 3.33Å; D351-G355 PolarHBondContact O-N 2.78Å; D351-L356 HydrophobicContact CB-CB 4.21Å; D351-L356 PolarHBondContact O-N 3.27Å |
| 352 | I | 56.8 | Low | 68.9 | Low | 102 Ų | 102 | 77 Ų | 77 | 52% | 0.523 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.7 | -33.5 | 175.2 | -64.4 | 174.6 | 0 | 0 | 0 | 111.5 | R347 N348 H350 F1894 | R347-I352 HydrophobicContact CB-CD1 4.31Å; R347-I352 HydrophobicContact CB-CG1 4.06Å; N348-I352 PolarHBondContact O-N 3Å; H350-I352 PolarHBondContact O-N 2.76Å; I352-F1894 HydrophobicContact CD1-CE1 3.69Å; I352-F1894 HydrophobicContact CD1-CZ 3.52Å |
| 353 | L | 57.2 | Low | 68.8 | Low | 150 Ų | 150 | 77.1 Ų | 77.1 | 79% | 0.785 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -79.8 | -24.3 | -179.9 | -155.6 | 76.7 | 0 | 0 | 0 | 112.8 | S349 H350 D351 | S349-L353 PolarHBondContact O-N 3.33Å; H350-L353 CarbonylContact O-C 3.57Å; H350-L353 WeakPolarHBondContact O-CA 3.28Å; H350-L353 WeakPolarHBondContact O-CB 3.18Å; H350-L353 PolarHBondContact O-N 3.47Å; D351-L353 VanDerWaalsContact C-N 3.33Å |
| 354 | T | 62 | Low | 68.8 | Low | 69 Ų | 69 | 79.9 Ų | 79.9 | 42% | 0.423 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -105.8 | -3.5 | -177.6 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | H350 L356 | H350-T354 PolarHBondContact O-N 3.24Å; H350-T354 PolarHBondContact O-OG1 2.72Å; T354-L356 VanDerWaalsContact C-N 3.27Å; T354-L356 PolarHBondContact O-N 3.14Å; T354-L356 WeakPolarHBondContact OG1-CD1 3.45Å; T354-L356 WeakPolarHBondContact OG1-CG 3.2Å |
| 355 | G | 53.4 | Low | 68.7 | Low | 70 Ų | 70 | 84.4 Ų | 84.4 | 72% | 0.722 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 12.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D351 | D351-G355 PolarHBondContact O-N 2.78Š|
| 356 | L | 57.1 | Low | 69 | Low | 104 Ų | 104 | 87.5 Ų | 87.5 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 145.8 | -177.4 | -72.1 | 172.4 | 0 | 0 | 0 | 112.5 | D351 T354 G358 | D351-L356 HydrophobicContact CB-CB 4.21Å; D351-L356 PolarHBondContact O-N 3.27Å; T354-L356 VanDerWaalsContact C-N 3.27Å; T354-L356 PolarHBondContact O-N 3.14Å; T354-L356 WeakPolarHBondContact OG1-CD1 3.45Å; T354-L356 WeakPolarHBondContact OG1-CG 3.2Å; L356-G358 PolarHBondContact O-N 2.77Å |
| 357 | V | 60.7 | Low | 69.6 | Low | 128 Ų | 128 | 86.2 Ų | 86.2 | 78% | 0.776 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 122.7 | 175.9 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 358 | G | 64.3 | Low | 70.6 | Confident | 5 Ų | 5 | 82.3 Ų | 82.3 | 5% | 0.052 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -69 | 149.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K346 L356 | K346-G358 CarbonylContact O-C 3.58Å; K346-G358 VanDerWaalsContact O-C 3.24Å; K346-G358 WeakPolarHBondContact O-CA 3.35Å; L356-G358 PolarHBondContact O-N 2.77Å |
| 359 | V | 72.4 | Confident | 71.3 | Confident | 96 Ų | 96 | 77.4 Ų | 77.4 | 58% | 0.582 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -63.8 | 131.2 | 179.8 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | R345 K346 | R345-V359 CarbonylContact C-O 3.59Å; R345-V359 WeakPolarHBondContact CA-O 3.38Å; K346-V359 PolarHBondContact N-O 3.19Å; K346-V359 PolarHBondContact O-N 3.18Å |
| 360 | E | 77.4 | Confident | 72.2 | Confident | 97 Ų | 97 | 74 Ų | 74 | 45% | 0.453 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.6 | 176.3 | -70.3 | 179 | -166.1 | 0 | 0 | 111.3 | V343 M344 R345 | V343-E360 HydrophobicContact CG1-CB 3.93Å; V343-E360 HydrophobicContact CG1-CG 4.35Å; M344-E360 WeakPolarHBondContact O-CA 3.46Å; R345-E360 HydrophobicContact CB-CG 4.15Å; R345-E360 HydrophobicContact CG-CG 3.91Å; R345-E360 IonicContact CZ-OE1 3.87Å; R345-E360 IonicContact NE-OE1 3.1Å; R345-E360 PolarHBondContact NE-OE1 3.29Å; R345-E360 IonicContact NH2-OE1 2.75Å; R345-E360 PolarHBondContact NH2-OE1 3.47Å |
| 361 | E | 81.1 | Confident | 73 | Confident | 63 Ų | 63 | 72.8 Ų | 72.8 | 29% | 0.294 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 117.4 | -176.7 | -174.9 | 174.9 | 151.4 | 0 | 0 | 109.2 | M344 K346 L363 Y372 | M344-E361 PolarHBondContact N-O 3.17Å; M344-E361 PolarHBondContact O-N 3.14Å; K346-E361 WeakPolarHBondContact CE-OE2 3.36Å; K346-E361 IonicContact NZ-OE1 2.64Å; K346-E361 IonicContact NZ-OE2 2.75Å; K346-E361 PolarHBondContact NZ-OE2 3.07Å; E361-L363 PolarHBondContact O-N 2.76Å; E361-Y372 VanDerWaalsContact CD-OH 3.32Å; E361-Y372 PolarHBondContact OE1-OH 2.91Å; E361-Y372 PolarHBondContact OE2-OH 2.8Å |
| 362 | I | 84.3 | Confident | 73.7 | Confident | 119 Ų | 119 | 74.4 Ų | 74.4 | 61% | 0.61 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 122.9 | 173.5 | -54 | 173.4 | 0 | 0 | 0 | 107.8 | C341 V343 | C341-I362 HydrophobicContact CB-CG2 4.11Å; V343-I362 HydrophobicContact CG2-CG1 4.11Å |
| 363 | L | 84.7 | Confident | 74.5 | Confident | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.021 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 129.4 | 177.3 | -55.4 | 171.4 | 0 | 0 | 0 | 109.4 | V319 L342 M344 E361 L367 P369 | V319-L363 HydrophobicContact CG2-CB 3.62Å; V319-L363 HydrophobicContact CG2-CD1 4.27Å; L342-L363 HydrophobicContact CD2-CD1 3.96Å; L342-L363 HydrophobicContact CG-CD1 4.23Å; L342-L363 WeakPolarHBondContact O-CB 3.23Å; L342-L363 PolarHBondContact O-N 3.28Å; M344-L363 HydrophobicContact CB-CD1 4.16Å; M344-L363 HydrophobicContact CB-CD2 4.07Å; M344-L363 HydrophobicContact CB-CG 4.14Å; M344-L363 HydrophobicContact CE-CD1 4.04Å; M344-L363 HydrophobicContact CE-CD2 4Å; E361-L363 PolarHBondContact O-N 2.76Å; L363-L367 HydrophobicContact CB-CD1 4.24Å; L363-L367 HydrophobicContact CD2-CD1 3.96Å; L363-P369 HydrophobicContact CD1-CB 4.25Å; L363-P369 HydrophobicContact CD1-CG 4.17Å |
| 364 | S | 83.8 | Confident | 75.2 | Confident | 66 Ų | 66 | 67.4 Ų | 67.4 | 46% | 0.462 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 150.9 | 173.8 | 53.9 | 0 | 0 | 0 | 0 | 112.1 | V319 D366 L367 | V319-S364 WeakPolarHBondContact CG2-O 3.35Å; S364-D366 PolarHBondContact O-N 2.91Å; S364-L367 WeakPolarHBondContact O-CB 3.46Å; S364-L367 PolarHBondContact O-N 3.12Å; S364-L367 WeakPolarHBondContact OG-CG 3.31Å |
| 365 | D | 81.7 | Confident | 75.5 | Confident | 98 Ų | 98 | 67.8 Ų | 67.8 | 52% | 0.524 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -30.5 | -174.8 | -56.1 | -59 | 0 | 0 | 0 | 114.7 | N318 V319 | N318-D365 WeakPolarHBondContact CB-O 3.32Å; N318-D365 PolarHBondContact ND2-O 3.3Å; V319-D365 PolarHBondContact N-O 3.28Å |
| 366 | D | 81 | Confident | 75.7 | Confident | 146 Ų | 146 | 67 Ų | 67 | 78% | 0.781 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -12.2 | 177.4 | -67.1 | -39.6 | 0 | 0 | 0 | 114.5 | S364 | S364-D366 PolarHBondContact O-N 2.91Š|
| 367 | L | 83.2 | Confident | 75.2 | Confident | 49 Ų | 49 | 68.4 Ų | 68.4 | 26% | 0.257 | 37% | 0.373 | S | S | . | . | trans | -74 | 139.2 | 178 | -87.6 | 170 | 0 | 0 | 0 | 110.7 | N318 V319 L363 S364 P369 Y372 | N318-L367 CarbonylContact C-O 3.24Å; N318-L367 VanDerWaalsContact CA-O 3.27Å; N318-L367 WeakPolarHBondContact CA-O 3.14Å; V319-L367 HydrophobicContact CG2-CB 4.28Å; V319-L367 WeakPolarHBondContact CG2-O 3.23Å; V319-L367 PolarHBondContact N-O 2.81Å; L363-L367 HydrophobicContact CB-CD1 4.24Å; L363-L367 HydrophobicContact CD2-CD1 3.96Å; S364-L367 WeakPolarHBondContact O-CB 3.46Å; S364-L367 PolarHBondContact O-N 3.12Å; S364-L367 WeakPolarHBondContact OG-CG 3.31Å; L367-P369 WeakPolarHBondContact O-CD 3.34Å; L367-Y372 HydrophobicContact CD1-CD2 4.36Å; L367-Y372 HydrophobicContact CD1-CE2 4.45Å; L367-Y372 HydrophobicContact CD2-CD2 3.76Å; L367-Y372 HydrophobicContact CD2-CE2 4.43Å | ||
| 368 | C | 86.4 | Confident | 74.3 | Confident | 21 Ų | 21 | 67 Ų | 67 | 14% | 0.142 | 37% | 0.369 | C | S | . | . | trans | -94.4 | 104 | 167.4 | -63.6 | 0 | 0 | 0 | 0 | 109.2 | I315 D317 L370 E371 Y372 | I315-C368 VanDerWaalsContact O-CB 3.25Å; I315-C368 WeakPolarHBondContact O-CB 3.35Å; D317-C368 WeakPolarHBondContact O-CA 3.29Å; C368-L370 VanDerWaalsContact C-N 3.32Å; C368-L370 PolarHBondContact O-N 2.99Å; C368-E371 HydrophobicContact CB-CB 3.82Å; C368-E371 WeakPolarHBondContact O-CB 3.27Å; C368-E371 PolarHBondContact O-N 2.94Å; C368-Y372 PolarHBondContact O-N 3.08Å | ||
| 369 | P | 81.4 | Confident | 72.9 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.013 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65 | -32.4 | -169.1 | -25.7 | 38.2 | 0 | 0 | 0 | 113.6 | L295 D317 V319 I322 L342 L363 L367 L373 | L295-P369 HydrophobicContact CD2-CB 4.15Å; D317-P369 VanDerWaalsContact O-CD 3.26Å; D317-P369 WeakPolarHBondContact O-CD 3.32Å; V319-P369 HydrophobicContact CG2-CG 3.68Å; I322-P369 HydrophobicContact CD1-CB 4.28Å; I322-P369 VanDerWaalsContact CD1-CD 3.46Å; I322-P369 HydrophobicContact CD1-CG 3.59Å; L342-P369 HydrophobicContact CD2-CG 4.05Å; L363-P369 HydrophobicContact CD1-CB 4.25Å; L363-P369 HydrophobicContact CD1-CG 4.17Å; L367-P369 WeakPolarHBondContact O-CD 3.34Å; P369-L373 WeakPolarHBondContact O-CB 3.44Å; P369-L373 WeakPolarHBondContact O-CG 3.38Å; P369-L373 PolarHBondContact O-N 2.87Å |
| 370 | L | 78.3 | Confident | 70.9 | Confident | 22 Ų | 22 | 73.9 Ų | 73.9 | 12% | 0.115 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70.7 | -41.2 | 176.9 | -172.6 | 64.2 | 0 | 0 | 0 | 111.7 | I313 I315 C368 L373 L374 | I313-L370 HydrophobicContact CD1-CB 3.94Å; I313-L370 HydrophobicContact CG1-CB 4.46Å; I313-L370 HydrophobicContact CG1-CD2 4.32Å; I315-L370 HydrophobicContact CG1-CD2 3.9Å; I315-L370 HydrophobicContact CG1-CG 4.17Å; C368-L370 VanDerWaalsContact C-N 3.32Å; C368-L370 PolarHBondContact O-N 2.99Å; L370-L373 PolarHBondContact O-N 3.03Å; L370-L374 HydrophobicContact CG-CD1 4.12Å; L370-L374 VanDerWaalsContact O-CG 3.31Å; L370-L374 WeakPolarHBondContact O-CG 3.32Å; L370-L374 PolarHBondContact O-N 3.03Å |
| 371 | E | 80.2 | Confident | 68.8 | Low | 96 Ų | 96 | 76.8 Ų | 76.8 | 45% | 0.449 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 172.5 | -170.2 | -178.8 | -170.3 | 0 | 0 | 111.7 | I315 C368 L373 L374 T375 | I315-E371 HydrophobicContact CG2-CB 3.76Å; I315-E371 HydrophobicContact CG2-CG 4.04Å; C368-E371 HydrophobicContact CB-CB 3.82Å; C368-E371 WeakPolarHBondContact O-CB 3.27Å; C368-E371 PolarHBondContact O-N 2.94Å; E371-L373 VanDerWaalsContact C-N 3.31Å; E371-L373 PolarHBondContact O-N 3.37Å; E371-L374 PolarHBondContact O-N 2.89Å; E371-T375 VanDerWaalsContact O-CB 3.29Å; E371-T375 WeakPolarHBondContact O-CB 3.38Å; E371-T375 PolarHBondContact O-N 3.39Å; E371-T375 PolarHBondContact O-OG1 3.05Å |
| 372 | Y | 80 | Confident | 66.3 | Low | 56 Ų | 56 | 79.2 Ų | 79.2 | 22% | 0.22 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60 | -40.5 | 178.7 | -175.8 | -79.1 | 0 | 0 | 0 | 111.8 | M344 K346 E361 L367 C368 S376 | M344-Y372 HydrophobicContact CE-CD1 3.75Å; M344-Y372 HydrophobicContact CE-CE1 4Å; M344-Y372 HydrophobicContact SD-CD1 4.14Å; M344-Y372 HydrophobicContact SD-CE1 3.82Å; K346-Y372 PolarHBondContact NZ-OH 3.14Å; E361-Y372 VanDerWaalsContact CD-OH 3.32Å; E361-Y372 PolarHBondContact OE1-OH 2.91Å; E361-Y372 PolarHBondContact OE2-OH 2.8Å; L367-Y372 HydrophobicContact CD1-CD2 4.36Å; L367-Y372 HydrophobicContact CD1-CE2 4.45Å; L367-Y372 HydrophobicContact CD2-CD2 3.76Å; L367-Y372 HydrophobicContact CD2-CE2 4.43Å; C368-Y372 PolarHBondContact O-N 3.08Å; Y372-S376 WeakPolarHBondContact O-CB 3.34Å; Y372-S376 PolarHBondContact O-N 3.13Å; Y372-S376 PolarHBondContact O-OG 3.43Å |
| 373 | L | 74.1 | Confident | 63.8 | Low | 19 Ų | 19 | 78.7 Ų | 78.7 | 10% | 0.099 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -72.7 | -38.1 | 178.5 | -69.9 | 178.9 | 0 | 0 | 0 | 113.1 | L295 M344 P369 L370 E371 T375 S376 L377 P1896 | L295-L373 HydrophobicContact CD1-CD1 4.24Å; M344-L373 HydrophobicContact CE-CD1 4.23Å; M344-L373 HydrophobicContact CE-CD2 3.38Å; M344-L373 HydrophobicContact CE-CG 3.78Å; M344-L373 HydrophobicContact SD-CD2 3.65Å; P369-L373 WeakPolarHBondContact O-CB 3.44Å; P369-L373 WeakPolarHBondContact O-CG 3.38Å; P369-L373 PolarHBondContact O-N 2.87Å; L370-L373 PolarHBondContact O-N 3.03Å; E371-L373 VanDerWaalsContact C-N 3.31Å; E371-L373 PolarHBondContact O-N 3.37Å; L373-T375 VanDerWaalsContact C-N 3.35Å; L373-S376 WeakPolarHBondContact CA-OG 3.19Å; L373-S376 PolarHBondContact O-OG 3.42Å; L373-L377 WeakPolarHBondContact O-CD1 3.1Å; L373-L377 WeakPolarHBondContact O-CG 3.28Å; L373-L377 PolarHBondContact O-N 3.18Å; L373-P1896 HydrophobicContact CD1-CB 3.72Å; L373-P1896 HydrophobicContact CD1-CG 3.78Å; L373-P1896 HydrophobicContact CD2-CB 3.59Å; L373-P1896 HydrophobicContact CD2-CG 3.43Å; L373-P1896 VanDerWaalsContact CD2-CG 3.43Å; L373-P1896 HydrophobicContact CG-CB 4.27Å; L373-P1896 HydrophobicContact CG-CG 4.09Å |
| 374 | L | 72.3 | Confident | 61.4 | Low | 86 Ų | 86 | 83.2 Ų | 83.2 | 45% | 0.45 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.8 | -37.6 | 172.8 | -69.3 | 168.4 | 0 | 0 | 0 | 111.7 | I315 L370 E371 L377 | I315-L374 HydrophobicContact CD1-CD1 3.43Å; I315-L374 VanDerWaalsContact CD1-CD1 3.43Å; I315-L374 HydrophobicContact CG1-CD1 3.68Å; L370-L374 HydrophobicContact CG-CD1 4.12Å; L370-L374 VanDerWaalsContact O-CG 3.31Å; L370-L374 WeakPolarHBondContact O-CG 3.32Å; L370-L374 PolarHBondContact O-N 3.03Å; E371-L374 PolarHBondContact O-N 2.89Å; L374-L377 PolarHBondContact O-N 3.3Å |
| 375 | T | 67.7 | Low | 58.9 | Low | 77 Ų | 77 | 85 Ų | 85 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -72.8 | -39.4 | -179.7 | -55.3 | 0 | 0 | 0 | 0 | 112.3 | E371 L373 L377 S378 T379 | E371-T375 VanDerWaalsContact O-CB 3.29Å; E371-T375 WeakPolarHBondContact O-CB 3.38Å; E371-T375 PolarHBondContact O-N 3.39Å; E371-T375 PolarHBondContact O-OG1 3.05Å; L373-T375 VanDerWaalsContact C-N 3.35Å; T375-L377 VanDerWaalsContact C-N 3.28Å; T375-L377 PolarHBondContact O-N 2.85Å; T375-S378 PolarHBondContact O-N 3.21Å; T375-S378 VanDerWaalsContact O-N 3.1Å; T375-T379 WeakPolarHBondContact O-CG2 3.47Å; T375-T379 PolarHBondContact O-OG1 3.2Å |
| 376 | S | 57.9 | Low | 56.5 | Low | 54 Ų | 54 | 85.2 Ų | 85.2 | 38% | 0.378 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.5 | -19.2 | 176.2 | 50.7 | 0 | 0 | 0 | 0 | 113.8 | Y372 L373 S378 | Y372-S376 WeakPolarHBondContact O-CB 3.34Å; Y372-S376 PolarHBondContact O-N 3.13Å; Y372-S376 PolarHBondContact O-OG 3.43Å; L373-S376 WeakPolarHBondContact CA-OG 3.19Å; L373-S376 PolarHBondContact O-OG 3.42Å; S376-S378 VanDerWaalsContact C-N 3.33Å |
| 377 | L | 47.1 | Very low | 54.1 | Low | 132 Ų | 132 | 83.2 Ų | 83.2 | 69% | 0.691 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -17.8 | 167.9 | -77.2 | 165.5 | 0 | 0 | 0 | 113.6 | L373 L374 T375 | L373-L377 WeakPolarHBondContact O-CD1 3.1Å; L373-L377 WeakPolarHBondContact O-CG 3.28Å; L373-L377 PolarHBondContact O-N 3.18Å; L374-L377 PolarHBondContact O-N 3.3Å; T375-L377 VanDerWaalsContact C-N 3.28Å; T375-L377 PolarHBondContact O-N 2.85Å |
| 378 | S | 41.4 | Very low | 51.6 | Low | 98 Ų | 98 | 87.1 Ų | 87.1 | 69% | 0.685 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -105.4 | 1.3 | -171.4 | -166.1 | 0 | 0 | 0 | 0 | 114.7 | T375 S376 | T375-S378 PolarHBondContact O-N 3.21Å; T375-S378 VanDerWaalsContact O-N 3.1Å; S376-S378 VanDerWaalsContact C-N 3.33Å |
| 379 | T | 33.8 | Very low | 48.9 | Very low | 93 Ų | 93 | 91.9 Ų | 91.9 | 57% | 0.571 | 56% | 0.557 | S | S | * | * | trans | -115.5 | 32.8 | -163.4 | 37 | 0 | 0 | 0 | 0 | 115 | T375 | T375-T379 WeakPolarHBondContact O-CG2 3.47Å; T375-T379 PolarHBondContact O-OG1 3.2Å | ||
| 380 | N | 32 | Very low | 46.4 | Very low | 153 Ų | 153 | 98.9 Ų | 98.9 | 82% | 0.818 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -115.5 | 55.4 | 172.2 | -87.8 | -27.4 | 0 | 0 | 0 | 112.9 | ||
| 381 | N | 32.7 | Very low | 44 | Very low | 159 Ų | 159 | 101.3 Ų | 101.3 | 85% | 0.85 | 63% | 0.63 | S | S | * | * | trans | 178.3 | 137.2 | 141.4 | -92.7 | -27.2 | 0 | 0 | 0 | 110.3 | ||||
| 382 | P | 29.3 | Very low | 41.4 | Very low | 114 Ų | 114 | 103.4 Ų | 103.4 | 74% | 0.74 | 65% | 0.649 | S | S | * | * | trans | -87.1 | 169 | 179 | 35.1 | -35.5 | 0 | 0 | 0 | 113.6 | ||||
| 383 | S | 31.6 | Very low | 39 | Very low | 108 Ų | 108 | 110.7 Ų | 110.7 | 76% | 0.755 | 68% | 0.682 | S | S | * | * | trans | 89.5 | 122.9 | 162.4 | 74.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 384 | S | 32.7 | Very low | 36.7 | Very low | 99 Ų | 99 | 114.9 Ų | 114.9 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | trans | 64.8 | 83.7 | 145.2 | 39.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 385 | S | 31.4 | Very low | 34.6 | Very low | 104 Ų | 104 | 120.6 Ų | 120.6 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | 72.9 | 126.9 | 105.9 | 66.7 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 386 | S | 31.4 | Very low | 32.6 | Very low | 101 Ų | 101 | 120.1 Ų | 120.1 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | 83.3 | 110.1 | 127.7 | 63.9 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 387 | S | 32.4 | Very low | 31.1 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | 96.4 | 92.7 | 121.4 | -62.1 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 388 | T | 28.7 | Very low | 30.1 | Very low | 131 Ų | 131 | 125.3 Ų | 125.3 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | 67 | 144.9 | 117.3 | -33.6 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 389 | V | 31.5 | Very low | 29.3 | Very low | 122 Ų | 122 | 126.2 Ų | 126.2 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | trans | 108.1 | 94.9 | 157 | -170.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 390 | V | 27.2 | Very low | 29.1 | Very low | 148 Ų | 148 | 128.3 Ų | 128.3 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | 31.3 | 119.4 | 133.1 | -170.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 391 | G | 29.2 | Very low | 28.7 | Very low | 74 Ų | 74 | 126.6 Ų | 126.6 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | trans | 176.7 | 124.8 | 156.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 392 | T | 25.9 | Very low | 28.5 | Very low | 139 Ų | 139 | 128 Ų | 128 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -99.1 | 123.9 | 177.7 | 45.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 393 | K | 28.3 | Very low | 28.2 | Very low | 209 Ų | 209 | 130.1 Ų | 130.1 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | -178.6 | 155.5 | 140 | -102.3 | 157.2 | -173.5 | 179.2 | 0 | 114.1 | ||||
| 394 | S | 25.8 | Very low | 27.9 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -62.3 | 128.9 | -177.7 | 172.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 395 | F | 27.9 | Very low | 27.6 | Very low | 206 Ų | 206 | 133.4 Ų | 133.4 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | trans | -140.7 | 153 | 137.9 | -74.2 | -85.5 | 0 | 0 | 0 | 106 | ||||
| 396 | G | 26.2 | Very low | 27.3 | Very low | 66 Ų | 66 | 134.3 Ų | 134.3 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | cis | 131.5 | 126 | 10.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 397 | N | 26.6 | Very low | 27.1 | Very low | 162 Ų | 162 | 136 Ų | 136 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | trans | -54.7 | 152.1 | -177.4 | -61.8 | -12.1 | 0 | 0 | 0 | 112.5 | ||||
| 398 | T | 26 | Very low | 26.9 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | -172.6 | 151.4 | 122.9 | -79.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 399 | V | 25.3 | Very low | 26.9 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 71% | 0.709 | 75% | 0.75 | S | S | * | * | trans | -53.2 | 134.9 | 171.4 | 175.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 400 | I | 28.5 | Very low | 26.8 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 70% | 0.697 | 74% | 0.744 | S | S | * | * | trans | -132.7 | 102.8 | 154.1 | -61.3 | -175.7 | 0 | 0 | 0 | 109.1 | F402 | I400-F402 HydrophobicContact CG2-CD2 3.23Å; I400-F402 HydrophobicContact CG2-CE2 3.39Å; I400-F402 HydrophobicContact CG2-CG 4.09Å; I400-F402 HydrophobicContact CG2-CZ 4.34Å | ||
| 401 | T | 24.3 | Very low | 26.9 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | trans | -77.6 | 127.4 | 152.7 | 44.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 402 | F | 28 | Very low | 26.9 | Very low | 187 Ų | 187 | 138.7 Ų | 138.7 | 82% | 0.82 | 73% | 0.728 | S | S | * | * | trans | -126.7 | 105.2 | 156.3 | -85.9 | -57.4 | 0 | 0 | 0 | 109.7 | I400 | I400-F402 HydrophobicContact CG2-CD2 3.23Å; I400-F402 HydrophobicContact CG2-CE2 3.39Å; I400-F402 HydrophobicContact CG2-CG 4.09Å; I400-F402 HydrophobicContact CG2-CZ 4.34Å | ||
| 403 | E | 23.9 | Very low | 27 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | trans | -55.7 | 143.6 | 138.9 | -53.7 | -178.5 | 139 | 0 | 0 | 108.1 | ||||
| 404 | H | 25.4 | Very low | 27.1 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 62% | 0.616 | 71% | 0.708 | S | S | * | * | -179.5 | 149.3 | 111.1 | -110.1 | -17.4 | 0 | 0 | 0 | 113.3 | |||||
| 405 | K | 26.1 | Very low | 27.2 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 62% | 0.617 | 70% | 0.703 | S | S | * | * | trans | 62.6 | 109.5 | 142 | -72.2 | 161.2 | 179.1 | 149.4 | 0 | 115.8 | ||||
| 406 | N | 25.7 | Very low | 27.2 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 66% | 0.658 | 69% | 0.694 | S | S | * | * | 83.9 | 144 | 95 | -71.5 | 13.4 | 0 | 0 | 0 | 110.8 | |||||
| 407 | H | 27.2 | Very low | 27.2 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 63% | 0.634 | 69% | 0.694 | S | S | * | * | cis | -153.9 | 176.1 | 14.9 | -120 | -21.6 | 0 | 0 | 0 | 108.6 | ||||
| 408 | Q | 28 | Very low | 27.2 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | trans | 46.7 | 129 | 142.3 | -60.9 | 166 | -70.9 | 0 | 0 | 118 | ||||
| 409 | N | 27.8 | Very low | 27.2 | Very low | 119 Ų | 119 | 133 Ų | 133 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | cis | -173.9 | 176.2 | 18.3 | -107.8 | 18.9 | 0 | 0 | 0 | 104.2 | ||||
| 410 | D | 29.2 | Very low | 27.2 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 60% | 0.604 | 68% | 0.681 | S | S | * | * | cis | -163.6 | 160.6 | 2.7 | -115.5 | -25.8 | 0 | 0 | 0 | 105.7 | ||||
| 411 | L | 29.7 | Very low | 27.2 | Very low | 137 Ų | 137 | 131.2 Ų | 131.2 | 72% | 0.717 | 68% | 0.681 | S | S | * | * | trans | 56 | 137.2 | 149.7 | -83.9 | 74.5 | 0 | 0 | 0 | 119 | ||||
| 412 | D | 29 | Very low | 27.2 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 63% | 0.626 | 67% | 0.674 | S | S | * | * | cis | -163.6 | -177.7 | 3.7 | -138 | -7.8 | 0 | 0 | 0 | 113.3 | ||||
| 413 | L | 28.7 | Very low | 27.2 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 63% | 0.634 | 67% | 0.671 | S | S | * | * | trans | 15.6 | 135.9 | 142.3 | -92.4 | 68 | 0 | 0 | 0 | 118.6 | ||||
| 414 | H | 29.4 | Very low | 27.3 | Very low | 151 Ų | 151 | 126.4 Ų | 126.4 | 70% | 0.699 | 67% | 0.667 | S | S | * | * | cis | -173.8 | 150.1 | 10.3 | -139.3 | 4.5 | 0 | 0 | 0 | 110 | ||||
| 415 | S | 28.9 | Very low | 27.4 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 66% | 0.657 | 67% | 0.673 | S | S | * | * | trans | 69.5 | 161.4 | 140.6 | 92.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 416 | N | 27.1 | Very low | 27.5 | Very low | 132 Ų | 132 | 126 Ų | 126 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | cis | -163.9 | 169.7 | -19.9 | -123.8 | -16.6 | 0 | 0 | 0 | 109.5 | ||||
| 417 | M | 26.6 | Very low | 27.5 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 68% | 0.675 | 67% | 0.67 | S | S | * | * | trans | 55.5 | 110.4 | 148.7 | -63.7 | -76.2 | 173 | 0 | 0 | 117.5 | ||||
| 418 | N | 26.2 | Very low | 27.6 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 69% | 0.69 | 67% | 0.674 | S | S | * | * | 73.8 | 152.9 | 72.2 | -81.5 | -29.4 | 0 | 0 | 0 | 115.2 | |||||
| 419 | L | 26.1 | Very low | 27.6 | Very low | 140 Ų | 140 | 124.5 Ų | 124.5 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | trans | 65.6 | 114.5 | 164.8 | -87.6 | 32.6 | 0 | 0 | 0 | 114.4 | ||||
| 420 | A | 26.5 | Very low | 27.6 | Very low | 86 Ų | 86 | 125 Ų | 125 | 71% | 0.711 | 68% | 0.681 | S | S | * | * | 66 | 171.5 | 51.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 421 | N | 26.6 | Very low | 27.6 | Very low | 129 Ų | 129 | 124.4 Ų | 124.4 | 69% | 0.69 | 68% | 0.683 | S | S | * | * | trans | 70 | 118.6 | -161.7 | -55.6 | -41.1 | 0 | 0 | 0 | 110.8 | ||||
| 422 | S | 25.6 | Very low | 27.4 | Very low | 84 Ų | 84 | 123 Ų | 123 | 59% | 0.587 | 68% | 0.681 | S | S | * | * | 59.3 | 133 | 60.2 | 96.2 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 423 | K | 26.8 | Very low | 27.3 | Very low | 173 Ų | 173 | 122.9 Ų | 122.9 | 75% | 0.752 | 69% | 0.685 | S | S | * | * | -155.3 | 167.5 | 54.5 | -118.8 | 144.7 | -170.8 | 176.5 | 0 | 113.2 | |||||
| 424 | T | 27.3 | Very low | 27.2 | Very low | 108 Ų | 108 | 122.2 Ų | 122.2 | 66% | 0.663 | 69% | 0.686 | S | S | * | * | trans | -3.9 | 133 | 137.3 | 61.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 425 | E | 27.3 | Very low | 27.1 | Very low | 161 Ų | 161 | 120.4 Ų | 120.4 | 75% | 0.752 | 69% | 0.685 | S | S | * | * | -179.6 | 159.8 | 77.9 | -84.4 | -170.9 | -165.7 | 0 | 0 | 107.4 | |||||
| 426 | N | 27.1 | Very low | 27.1 | Very low | 106 Ų | 106 | 121.1 Ų | 121.1 | 57% | 0.567 | 69% | 0.686 | S | S | * | * | cis | -158.7 | 133.7 | -4.7 | -113.4 | -17.9 | 0 | 0 | 0 | 107.3 | ||||
| 427 | I | 27.3 | Very low | 27.1 | Very low | 126 Ų | 126 | 121 Ų | 121 | 65% | 0.646 | 69% | 0.69 | S | S | * | * | 92.5 | 136.2 | 88.9 | -134.7 | 175.1 | 0 | 0 | 0 | 113 | |||||
| 428 | I | 28.3 | Very low | 27.2 | Very low | 139 Ų | 139 | 118 Ų | 118 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | trans | 62.1 | 131.4 | 152.3 | -72.8 | 161.5 | 0 | 0 | 0 | 117.9 | ||||
| 429 | T | 28.6 | Very low | 27.3 | Very low | 113 Ų | 113 | 117.1 Ų | 117.1 | 69% | 0.693 | 69% | 0.69 | S | S | * | * | cis | -162.7 | 159 | -1.5 | 17.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 430 | T | 27.4 | Very low | 27.5 | Very low | 128 Ų | 128 | 115.4 Ų | 115.4 | 79% | 0.785 | 69% | 0.685 | S | S | * | * | trans | -73.9 | 138 | 151.4 | 44 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 431 | P | 29.1 | Very low | 27.5 | Very low | 101 Ų | 101 | 118.2 Ų | 118.2 | 66% | 0.656 | 69% | 0.688 | S | S | * | * | -126.2 | 122.6 | 124.6 | 2.3 | 19 | 0 | 0 | 0 | 109.4 | |||||
| 432 | T | 26.4 | Very low | 27.7 | Very low | 107 Ų | 107 | 120.2 Ų | 120.2 | 66% | 0.656 | 69% | 0.693 | S | S | * | * | 60.8 | 151.2 | 79.3 | 69.4 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 433 | T | 26.8 | Very low | 27.8 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 71% | 0.712 | 71% | 0.706 | S | S | * | * | trans | 66.5 | 138 | 148.8 | 50.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 434 | T | 26.8 | Very low | 28 | Very low | 107 Ų | 107 | 122.3 Ų | 122.3 | 66% | 0.656 | 70% | 0.702 | S | S | * | * | cis | -172.2 | 178.3 | -2.5 | 18.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 435 | T | 27.2 | Very low | 28.1 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 69% | 0.687 | 71% | 0.707 | S | S | * | * | trans | 65.6 | 140.9 | 140.1 | 50 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 436 | T | 27.7 | Very low | 28 | Very low | 110 Ų | 110 | 121.8 Ų | 121.8 | 68% | 0.675 | 70% | 0.701 | S | S | * | * | cis | -170.4 | 166.8 | -4.6 | 17.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 437 | T | 28.4 | Very low | 28.2 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | trans | 39.8 | 137.3 | 143.7 | 63.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 438 | A | 28.1 | Very low | 28.1 | Very low | 75 Ų | 75 | 126.9 Ų | 126.9 | 62% | 0.62 | 72% | 0.721 | S | S | * | * | cis | 173.5 | 171.3 | 43.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 439 | C | 27.2 | Very low | 28.3 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | cis | -169.1 | 162.4 | -9.9 | -121.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 440 | V | 30.4 | Very low | 28.2 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 63% | 0.63 | 73% | 0.732 | S | S | * | * | trans | 64.9 | 111.7 | 154.6 | 170.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 441 | N | 27.2 | Very low | 28.3 | Very low | 145 Ų | 145 | 125.9 Ų | 125.9 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | 80.2 | 164.2 | 63.2 | -73 | -29.6 | 0 | 0 | 0 | 115 | |||||
| 442 | H | 31.4 | Very low | 28.3 | Very low | 171 Ų | 171 | 126.1 Ų | 126.1 | 79% | 0.792 | 73% | 0.732 | S | S | * | * | trans | 79 | 99.9 | -162.9 | -49.8 | -73.4 | 0 | 0 | 0 | 112 | ||||
| 443 | K | 26.3 | Very low | 28.6 | Very low | 200 Ų | 200 | 127.8 Ų | 127.8 | 87% | 0.87 | 74% | 0.742 | S | S | * | * | cis | 69.1 | 146.3 | 22.1 | -98.3 | -138.8 | 169.1 | -176.4 | 0 | 115.3 | ||||
| 444 | P | 32.2 | Very low | 28.8 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 65% | 0.649 | 74% | 0.739 | S | S | * | * | -132.6 | 166.5 | -128.6 | 42.1 | -26.9 | 0 | 0 | 0 | 116.4 | |||||
| 445 | H | 29.6 | Very low | 29 | Very low | 167 Ų | 167 | 130.5 Ų | 130.5 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | -145.3 | 144.5 | 158.8 | -72.4 | -72.3 | 0 | 0 | 0 | 108.7 | ||||
| 446 | S | 24.9 | Very low | 29.2 | Very low | 91 Ų | 91 | 129.1 Ų | 129.1 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | cis | 80.2 | 71.3 | 19.1 | 92.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 447 | F | 30.7 | Very low | 29.1 | Very low | 189 Ų | 189 | 129.8 Ų | 129.8 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | -154.7 | 119.7 | 154 | -80.7 | -76.3 | 0 | 0 | 0 | 105.4 | ||||
| 448 | D | 26.7 | Very low | 29.2 | Very low | 151 Ų | 151 | 127.1 Ų | 127.1 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | cis | 76.6 | 96 | 22.1 | -146.5 | 20.1 | 0 | 0 | 0 | 113.7 | ||||
| 449 | S | 31.5 | Very low | 29 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | -169.1 | 129.8 | 164.1 | -80.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 450 | C | 25.4 | Very low | 29.1 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | -86.4 | -178.5 | 175.6 | -130.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 451 | P | 31.4 | Very low | 28.7 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | cis | -146.3 | 172.6 | 47.3 | 40.9 | -19.4 | 0 | 0 | 0 | 119.2 | ||||
| 452 | T | 27.4 | Very low | 28.8 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | trans | -68.6 | 144.9 | 175.4 | 48.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 453 | V | 33.9 | Very low | 28.5 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | -147.1 | 114.6 | 136.3 | -176.1 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 454 | D | 30.9 | Very low | 28.5 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 66% | 0.658 | 76% | 0.76 | S | S | * | * | cis | 100 | 128.2 | 46.8 | -102.2 | 15.1 | 0 | 0 | 0 | 114.5 | ||||
| 455 | N | 31.2 | Very low | 28.4 | Very low | 157 Ų | 157 | 133.8 Ų | 133.8 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | trans | 71.4 | 135.5 | 162 | -57.7 | -53.5 | 0 | 0 | 0 | 120.6 | ||||
| 456 | G | 30.8 | Very low | 28.4 | Very low | 82 Ų | 82 | 133.1 Ų | 133.1 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | 161.6 | 35.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 457 | S | 26.2 | Very low | 28.7 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | -94.6 | 117.4 | -175.7 | 59.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 458 | A | 29.1 | Very low | 28.8 | Very low | 73 Ų | 73 | 127.3 Ų | 127.3 | 60% | 0.603 | 76% | 0.76 | S | S | * | * | trans | -165.7 | 141.6 | 154.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y460 | A458-Y460 HydrophobicContact CB-CD2 4.06Å; A458-Y460 HydrophobicContact CB-CE2 4.16Å | ||
| 459 | T | 24.7 | Very low | 29.1 | Very low | 132 Ų | 132 | 125.8 Ų | 125.8 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | cis | 72.3 | 73.2 | 12.1 | -35.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 460 | Y | 29 | Very low | 29.2 | Very low | 221 Ų | 221 | 127.6 Ų | 127.6 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | trans | -141 | 133.9 | 153.2 | -84.4 | -69.1 | 0 | 0 | 0 | 112.8 | A458 | A458-Y460 HydrophobicContact CB-CD2 4.06Å; A458-Y460 HydrophobicContact CB-CE2 4.16Å | ||
| 461 | T | 22.9 | Very low | 29.6 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 66% | 0.663 | 74% | 0.74 | S | S | * | * | trans | -104.5 | 171.2 | 166.5 | 44.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 462 | Y | 28.1 | Very low | 29.6 | Very low | 212 Ų | 212 | 128.1 Ų | 128.1 | 83% | 0.831 | 73% | 0.733 | S | S | * | * | trans | 68.9 | 157.7 | 177.9 | -54.2 | -85.1 | 0 | 0 | 0 | 115.1 | ||||
| 463 | S | 26.6 | Very low | 29.9 | Very low | 87 Ų | 87 | 130.1 Ų | 130.1 | 61% | 0.608 | 74% | 0.739 | S | S | * | * | cis | -169.9 | 152.7 | -34.2 | -101 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 464 | I | 25.7 | Very low | 29.5 | Very low | 143 Ų | 143 | 128.9 Ų | 128.9 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | trans | 39.3 | 142.4 | 133.5 | -57.9 | 169.2 | 0 | 0 | 0 | 119.8 | ||||
| 465 | N | 29.7 | Very low | 29.5 | Very low | 143 Ų | 143 | 128 Ų | 128 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | trans | 88 | 145.2 | 168.6 | -71.4 | -10.5 | 0 | 0 | 0 | 118.3 | ||||
| 466 | D | 29.1 | Very low | 29.2 | Very low | 152 Ų | 152 | 125.8 Ų | 125.8 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | cis | -164.5 | 161.4 | -26.9 | -160.1 | 2.5 | 0 | 0 | 0 | 110.4 | ||||
| 467 | G | 31.7 | Very low | 29.4 | Very low | 61 Ų | 61 | 127.2 Ų | 127.2 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | trans | 84.3 | 152.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 468 | S | 32.6 | Very low | 29.4 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | cis | -164.3 | 160.1 | -5.6 | 60.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 469 | N | 32.5 | Very low | 29.2 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 63% | 0.631 | 73% | 0.729 | S | S | * | * | trans | 71.1 | 137.7 | 167.7 | -56.8 | -79.4 | 0 | 0 | 0 | 116.9 | ||||
| 470 | K | 34.7 | Very low | 29.3 | Very low | 160 Ų | 160 | 134.5 Ų | 134.5 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | cis | -162.9 | 135.3 | -6.6 | -119.9 | 163.9 | -176.5 | 138.5 | 0 | 110.2 | ||||
| 471 | N | 32.9 | Very low | 29.3 | Very low | 128 Ų | 128 | 130 Ų | 130 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | trans | 57.8 | 148.6 | 144.7 | -57.4 | 8.7 | 0 | 0 | 0 | 120 | ||||
| 472 | N | 32.9 | Very low | 29.7 | Very low | 121 Ų | 121 | 132 Ų | 132 | 65% | 0.647 | 72% | 0.72 | S | S | * | * | cis | -163.1 | 150.3 | -15.6 | -104 | -7.6 | 0 | 0 | 0 | 109.1 | ||||
| 473 | N | 32.5 | Very low | 29.8 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | trans | 58.6 | 132.5 | 146.6 | -59.7 | -3.5 | 0 | 0 | 0 | 122.9 | ||||
| 474 | C | 24.7 | Very low | 30.1 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | trans | -55.9 | -179.9 | 147.1 | -122.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 475 | P | 32.5 | Very low | 30.3 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 67% | 0.669 | 71% | 0.706 | S | S | * | * | cis | -139.9 | 164.5 | 0.4 | 39.9 | -21.6 | 0 | 0 | 0 | 117.6 | ||||
| 476 | S | 25.2 | Very low | 30.3 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 78% | 0.783 | 71% | 0.705 | S | S | * | * | trans | 56.2 | -157.4 | 145.4 | -50.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 477 | P | 34.1 | Very low | 30.5 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | -129.4 | -171.3 | -119.1 | 35.4 | -12.5 | 0 | 0 | 0 | 116.4 | |||||
| 478 | Q | 26.4 | Very low | 30.5 | Very low | 168 Ų | 168 | 130.6 Ų | 130.6 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | trans | 102.8 | 155 | 158.6 | -55.3 | -174.7 | -12.7 | 0 | 0 | 119.4 | ||||
| 479 | L | 25.5 | Very low | 30.6 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 70% | 0.702 | 71% | 0.712 | S | S | * | * | trans | 79.3 | 87.1 | 152.4 | -72 | 140 | 0 | 0 | 0 | 121.7 | ||||
| 480 | F | 25.8 | Very low | 30.3 | Very low | 180 Ų | 180 | 130.9 Ų | 130.9 | 79% | 0.789 | 72% | 0.719 | S | S | * | * | 70.6 | 159.8 | 110.8 | -88.7 | -88.6 | 0 | 0 | 0 | 122.5 | |||||
| 481 | D | 29.8 | Very low | 30.3 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 67% | 0.674 | 73% | 0.729 | S | S | * | * | trans | 81 | 99.8 | 153.6 | -66.4 | -13.3 | 0 | 0 | 0 | 123.3 | ||||
| 482 | H | 31.2 | Very low | 30 | Very low | 151 Ų | 151 | 131.7 Ų | 131.7 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | 75.3 | 109.1 | 114.7 | -86.1 | -47.8 | 0 | 0 | 0 | 122.4 | |||||
| 483 | D | 30 | Very low | 29.9 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | 95.4 | 138.2 | 111.4 | -89.3 | 30.7 | 0 | 0 | 0 | 125.4 | |||||
| 484 | N | 32.1 | Very low | 29.8 | Very low | 113 Ų | 113 | 136 Ų | 136 | 60% | 0.604 | 75% | 0.75 | S | S | * | * | trans | 78.2 | 100 | 136.9 | -68.2 | -29.6 | 0 | 0 | 0 | 122.7 | ||||
| 485 | N | 30.2 | Very low | 29.8 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 66% | 0.658 | 75% | 0.747 | S | S | * | * | 90.8 | 124.2 | 110.3 | -67.1 | -19.8 | 0 | 0 | 0 | 123 | |||||
| 486 | N | 30.8 | Very low | 29.7 | Very low | 139 Ų | 139 | 137.1 Ų | 137.1 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | 93 | 148.2 | 132.1 | -69.6 | -16.3 | 0 | 0 | 0 | 123.4 | ||||
| 487 | T | 33.2 | Very low | 29.7 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | 72.2 | 87.5 | 153.1 | 32.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 488 | I | 31.2 | Very low | 29.6 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | 13.8 | 133.3 | 100 | -65.8 | 171.3 | 0 | 0 | 0 | 114.7 | |||||
| 489 | P | 33.6 | Very low | 29.6 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | cis | -142.1 | 156.6 | 42 | 26.5 | -2.2 | 0 | 0 | 0 | 120.3 | ||||
| 490 | S | 27.3 | Very low | 29.8 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | 19.1 | 125.3 | 133.1 | -46 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 491 | T | 33.9 | Very low | 29.9 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | -150 | 144.9 | 134.6 | 10.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 492 | N | 27.4 | Very low | 29.9 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | trans | -88.3 | 143.4 | 171.3 | -70.1 | -77.3 | 0 | 0 | 0 | 109.6 | ||||
| 493 | L | 31.4 | Very low | 29.8 | Very low | 174 Ų | 174 | 133.9 Ų | 133.9 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | trans | -160.4 | 140.7 | 137.4 | -110.1 | 160.9 | 0 | 0 | 0 | 113.7 | ||||
| 494 | K | 29 | Very low | 29.8 | Very low | 183 Ų | 183 | 133.8 Ų | 133.8 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | -71.3 | 132 | -166 | -64.8 | 165.6 | 173.1 | 173.7 | 0 | 114.2 | ||||
| 495 | S | 25.8 | Very low | 29.7 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | 39.9 | 116.7 | 136.6 | 64.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 496 | T | 29.9 | Very low | 29.7 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -147.9 | 128.3 | 145.2 | -4.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 497 | N | 26.3 | Very low | 29.7 | Very low | 163 Ų | 163 | 134 Ų | 134 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -92.5 | 115.6 | 173.6 | -74.4 | -10.1 | 0 | 0 | 0 | 109.1 | ||||
| 498 | V | 30.2 | Very low | 29.6 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 87% | 0.873 | 79% | 0.793 | S | S | * | * | trans | -133.1 | 142.5 | 154.2 | -175.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 499 | L | 27.1 | Very low | 29.6 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | trans | -111.6 | -176.2 | -174.7 | -159.3 | 105.2 | 0 | 0 | 0 | 108.6 | ||||
| 500 | I | 29.5 | Very low | 29.5 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | trans | 79.9 | 131.6 | 168.4 | -50.1 | 163.8 | 0 | 0 | 0 | 112.1 | ||||
| 501 | D | 28.4 | Very low | 29.8 | Very low | 133 Ų | 133 | 136 Ų | 136 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | cis | -144 | 164.5 | 4.9 | -137.7 | -31.4 | 0 | 0 | 0 | 115.2 | ||||
| 502 | S | 30.2 | Very low | 29.7 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | 28.9 | 126.3 | 141.8 | -69 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 503 | G | 29 | Very low | 29.7 | Very low | 74 Ų | 74 | 131.5 Ų | 131.5 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | trans | 143.8 | 125.6 | 140.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 504 | S | 29.8 | Very low | 29.6 | Very low | 113 Ų | 113 | 129 Ų | 129 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | trans | 71 | 129 | 161 | -157.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 505 | S | 29.9 | Very low | 29.6 | Very low | 84 Ų | 84 | 128 Ų | 128 | 59% | 0.587 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 50.4 | 129.8 | 140 | 63.7 | 0 | 0 | 0 | 0 | 122.4 | ||
| 506 | N | 30.7 | Very low | 29.6 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | trans | 59.3 | 84.5 | 144.9 | -54.1 | -17.4 | 0 | 0 | 0 | 118.8 | ||||
| 507 | L | 30 | Very low | 29.6 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 71% | 0.707 | 75% | 0.748 | S | S | * | * | trans | -153.2 | 22.7 | 169.5 | -114 | 174.8 | 0 | 0 | 0 | 119.4 | N509 T510 | L507-N509 VanDerWaalsContact C-N 3.26Å; L507-N509 PolarHBondContact O-N 3.31Å; L507-T510 HydrophobicContact CD2-CG2 4.3Å; L507-T510 WeakPolarHBondContact CD2-OG1 3.42Å | ||
| 508 | V | 30.8 | Very low | 29.9 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 89% | 0.891 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -78 | -3.8 | 179.3 | -172.3 | 0 | 0 | 0 | 0 | 113.8 | T510 | V508-T510 VanDerWaalsContact C-N 3.27Å; V508-T510 PolarHBondContact O-N 3.24Å |
| 509 | N | 31.6 | Very low | 29.8 | Very low | 157 Ų | 157 | 130 Ų | 130 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -74.9 | -2.7 | 179.1 | -81.7 | -10.1 | 0 | 0 | 0 | 115.4 | L507 | L507-N509 VanDerWaalsContact C-N 3.26Å; L507-N509 PolarHBondContact O-N 3.31Å |
| 510 | T | 32.1 | Very low | 30.3 | Very low | 78 Ų | 78 | 128.6 Ų | 128.6 | 48% | 0.479 | 74% | 0.739 | S | S | . | * | G | 310 helix | trans | -109.1 | 1.2 | -155.2 | -53.5 | 0 | 0 | 0 | 0 | 115.5 | L507 V508 S513 | L507-T510 HydrophobicContact CD2-CG2 4.3Å; L507-T510 WeakPolarHBondContact CD2-OG1 3.42Å; V508-T510 VanDerWaalsContact C-N 3.27Å; V508-T510 PolarHBondContact O-N 3.24Å; T510-S513 PolarHBondContact O-OG 3.14Å |
| 511 | I | 33 | Very low | 30.4 | Very low | 160 Ų | 160 | 127.8 Ų | 127.8 | 82% | 0.821 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -103.6 | -7.9 | -177.2 | -60.5 | -179.9 | 0 | 0 | 0 | 113.1 | ||
| 512 | Y | 31.6 | Very low | 30.5 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 52% | 0.518 | 75% | 0.746 | S | S | . | * | S | Bend | trans | -98.5 | 11.6 | 179.5 | -97.7 | -91.6 | 0 | 0 | 0 | 115 | R1210 | Y512-R1210 PolarHBondContact O-NH1 2.9Å; Y512-R1210 PolarHBondContact O-NH2 3.06Å |
| 513 | S | 27.8 | Very low | 30.7 | Very low | 80 Ų | 80 | 131.5 Ų | 131.5 | 56% | 0.559 | 75% | 0.747 | S | S | * | * | trans | -110.7 | -0.9 | -167 | 54 | 0 | 0 | 0 | 0 | 115.8 | T510 | T510-S513 PolarHBondContact O-OG 3.14Š| ||
| 514 | V | 28.7 | Very low | 30.7 | Very low | 121 Ų | 121 | 134 Ų | 134 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -105.9 | 146.1 | -178.7 | -169.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 515 | I | 29.3 | Very low | 30.9 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 77.4 | 51.1 | -176.5 | -35.2 | 176.3 | 0 | 0 | 0 | 115.2 | ||
| 516 | T | 25.9 | Very low | 31.2 | Very low | 123 Ų | 123 | 142.1 Ų | 142.1 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -148.7 | 100.3 | 148.8 | 49.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 517 | K | 30.4 | Very low | 31.4 | Very low | 195 Ų | 195 | 140.6 Ų | 140.6 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | trans | -174.3 | 106.1 | 163.4 | -107.1 | 165.9 | -174.7 | -177.5 | 0 | 108.4 | ||||
| 518 | T | 32.1 | Very low | 31.3 | Very low | 123 Ų | 123 | 138 Ų | 138 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | 82.2 | 149.4 | 106.7 | 54.7 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 519 | D | 27.8 | Very low | 31.3 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -94.3 | -150.3 | -150 | -50.8 | -93 | 0 | 0 | 0 | 116 | ||||
| 520 | P | 38.2 | Very low | 31.2 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | -115.3 | -175.3 | -123.2 | 40.1 | -20.7 | 0 | 0 | 0 | 114 | |||||
| 521 | P | 31.8 | Very low | 31.1 | Very low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | -152.9 | -178.4 | 91.9 | 41.4 | -22.5 | 0 | 0 | 0 | 116.8 | |||||
| 522 | I | 29.5 | Very low | 30.9 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | -58 | 132.7 | 175.7 | -60 | 150.9 | 0 | 0 | 0 | 113.4 | ||||
| 523 | H | 34 | Very low | 30.9 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | -168.4 | 159.5 | 123 | -118.9 | -91 | 0 | 0 | 0 | 114.6 | |||||
| 524 | N | 30.7 | Very low | 31 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 68% | 0.679 | 79% | 0.794 | S | S | * | * | trans | -75.8 | 138.8 | -172.8 | -59.4 | -40 | 0 | 0 | 0 | 114 | ||||
| 525 | N | 33.7 | Very low | 31.3 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | -173.3 | 139.9 | 107.4 | -88.4 | -26.7 | 0 | 0 | 0 | 113.2 | |||||
| 526 | K | 35.4 | Very low | 32 | Very low | 200 Ų | 200 | 135.5 Ų | 135.5 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | trans | -102 | 174.3 | 177.5 | -95.3 | 179.1 | -179.3 | 172.2 | 0 | 110 | ||||
| 527 | P | 35.7 | Very low | 33.2 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | cis | -131.5 | 175.1 | -28 | 35.9 | -19.9 | 0 | 0 | 0 | 112.6 | ||||
| 528 | G | 27 | Very low | 35 | Very low | 82 Ų | 82 | 123.3 Ų | 123.3 | 85% | 0.845 | 73% | 0.727 | S | S | * | * | trans | 160.5 | 37.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 529 | S | 31.4 | Very low | 37.1 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 80% | 0.804 | 71% | 0.71 | S | S | * | * | trans | -158.6 | 149.7 | 166.8 | -165.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 530 | T | 29.5 | Very low | 39.9 | Very low | 138 Ų | 138 | 115 Ų | 115 | 85% | 0.847 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 127.3 | 172.6 | 28.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 531 | S | 29.1 | Very low | 42 | Very low | 108 Ų | 108 | 109.5 Ų | 109.5 | 76% | 0.755 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 145.6 | 172.3 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 532 | P | 29.8 | Very low | 44.7 | Very low | 131 Ų | 131 | 103.6 Ų | 103.6 | 85% | 0.851 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 142.5 | -175.7 | 30.7 | -35.2 | 0 | 0 | 0 | 112.3 | ||
| 533 | K | 31.7 | Very low | 47.5 | Very low | 192 Ų | 192 | 98.3 Ų | 98.3 | 84% | 0.835 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 133.4 | 179.9 | -68.7 | 178.9 | 179.9 | 174.7 | 0 | 112.1 | ||
| 534 | T | 30.5 | Very low | 50.3 | Low | 96 Ų | 96 | 90.1 Ų | 90.1 | 59% | 0.589 | 53% | 0.53 | S | S | * | . | trans | 49.9 | 98.4 | 151.9 | 52.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 535 | S | 35 | Very low | 53.1 | Low | 110 Ų | 110 | 85.5 Ų | 85.5 | 77% | 0.769 | 51% | 0.51 | S | S | * | . | trans | -76.6 | 139.7 | 149.9 | 52.7 | 0 | 0 | 0 | 0 | 110.6 | S537 | S535-S537 PolarHBondContact O-N 2.61Š| ||
| 536 | V | 42.8 | Very low | 55.9 | Low | 94 Ų | 94 | 78.1 Ų | 78.1 | 57% | 0.57 | 47% | 0.47 | S | S | * | . | trans | -58.3 | 123.6 | 173.1 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 537 | S | 52.2 | Low | 58.3 | Low | 56 Ų | 56 | 69.9 Ų | 69.9 | 39% | 0.392 | 44% | 0.439 | S | S | . | . | trans | -124.8 | 97.4 | -173.8 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | S535 R539 R1214 | S535-S537 PolarHBondContact O-N 2.61Å; S537-R539 PolarHBondContact O-N 3.03Å; S537-R1214 PolarHBondContact OG-NH1 3.46Å | ||
| 538 | D | 67.5 | Low | 60.6 | Low | 6 Ų | 6 | 68.4 Ų | 68.4 | 3% | 0.032 | 43% | 0.429 | C | S | . | . | trans | -48 | 128.3 | 174.1 | 169.9 | -5.6 | 0 | 0 | 0 | 110.5 | L540 Q543 R612 R1214 Y1245 | D538-L540 VanDerWaalsContact C-N 3.32Å; D538-L540 PolarHBondContact O-N 3.16Å; D538-L540 WeakPolarHBondContact OD1-CB 3.46Å; D538-L540 WeakPolarHBondContact OD1-CG 3.38Å; D538-L540 PolarHBondContact OD1-N 3.08Å; D538-Q543 HydrophobicContact CB-CG 4.39Å; D538-Q543 PolarHBondContact O-NE2 3.48Å; D538-Q543 VanDerWaalsContact O-NE2 3.09Å; D538-R612 HydrophobicContact CB-CG 4Å; D538-R612 WeakPolarHBondContact OD2-CD 3.39Å; D538-R612 IonicContact OD2-CZ 3.95Å; D538-R612 IonicContact OD2-NE 3.29Å; D538-R612 PolarHBondContact OD2-NE 3.24Å; D538-R612 IonicContact OD2-NH2 3.67Å; D538-R1214 PolarHBondContact O-NH1 2.95Å; D538-Y1245 WeakPolarHBondContact OD1-CE2 3.44Å; D538-Y1245 PolarHBondContact OD1-OH 3.4Å | ||
| 539 | R | 76.9 | Confident | 63.5 | Low | 102 Ų | 102 | 70.7 Ų | 70.7 | 39% | 0.385 | 43% | 0.427 | S | S | . | . | trans | -78.3 | -9.9 | -169.2 | -65.9 | -179.8 | 174.6 | 177.1 | -2.7 | 114 | S537 V1244 Y1245 | S537-R539 PolarHBondContact O-N 3.03Å; R539-V1244 HydrophobicContact CB-CB 4.39Å; R539-V1244 HydrophobicContact CB-CG1 3.6Å; R539-V1244 HydrophobicContact CG-CG1 4.16Å; R539-Y1245 PolarHBondContact N-OH 2.69Å | ||
| 540 | L | 84.8 | Confident | 66.3 | Low | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -60.3 | 153 | -178.3 | -75.1 | 163 | 0 | 0 | 0 | 112.6 | D538 C542 Y604 L605 R608 W1242 Y1245 | D538-L540 VanDerWaalsContact C-N 3.32Å; D538-L540 PolarHBondContact O-N 3.16Å; D538-L540 WeakPolarHBondContact OD1-CB 3.46Å; D538-L540 WeakPolarHBondContact OD1-CG 3.38Å; D538-L540 PolarHBondContact OD1-N 3.08Å; L540-C542 PolarHBondContact O-N 3.09Å; L540-Y604 HydrophobicContact CD1-CE1 4.16Å; L540-Y604 HydrophobicContact CD2-CE1 4.11Å; L540-L605 HydrophobicContact CD1-CD2 4.24Å; L540-R608 HydrophobicContact CD1-CB 4.21Å; L540-R608 HydrophobicContact CD1-CG 3.92Å; L540-W1242 HydrophobicContact CD2-CE3 4Å; L540-W1242 WeakPolarHBondContact CD2-O 3.38Å; L540-Y1245 HydrophobicContact CD1-CD2 4.18Å; L540-Y1245 HydrophobicContact CD1-CE2 4.03Å; L540-Y1245 HydrophobicContact CD2-CD2 4.47Å; L540-Y1245 HydrophobicContact CG-CD2 4.08Å; L540-Y1245 HydrophobicContact CG-CE2 3.89Å |
| 541 | P | 83 | Confident | 69.2 | Low | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.019 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -59.7 | -30.9 | -177 | -26.2 | 37.1 | 0 | 0 | 0 | 113.9 | V1193 R1214 L1240 Q1241 W1242 | P541-V1193 HydrophobicContact CB-CG2 3.39Å; P541-R1214 WeakPolarHBondContact O-CB 3.31Å; P541-R1214 PolarHBondContact O-N 2.99Å; P541-L1240 HydrophobicContact CB-CB 4.37Å; P541-L1240 HydrophobicContact CB-CD1 4.41Å; P541-L1240 HydrophobicContact CG-CB 4.2Å; P541-Q1241 WeakPolarHBondContact CD-O 3.49Å; P541-Q1241 WeakPolarHBondContact CG-O 3.2Å; P541-W1242 HydrophobicContact CB-CH2 4.23Å; P541-W1242 HydrophobicContact CB-CZ2 4.34Å; P541-W1242 HydrophobicContact CB-CZ3 4.46Å; P541-W1242 HydrophobicContact CG-CD2 4Å; P541-W1242 HydrophobicContact CG-CE3 4.02Å; P541-W1242 HydrophobicContact CG-CH2 4.26Å; P541-W1242 HydrophobicContact CG-CZ2 4.25Å; P541-W1242 HydrophobicContact CG-CZ3 4.16Å |
| 542 | C | 87.8 | Confident | 72.2 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 166 | 169.5 | 61.5 | 0 | 0 | 0 | 0 | 110.4 | L540 L605 V1193 L1211 L1212 | L540-C542 PolarHBondContact O-N 3.09Å; C542-L605 VanDerWaalsContact O-CD2 3.27Å; C542-L605 WeakPolarHBondContact O-CD2 3.47Å; C542-V1193 HydrophobicContact CB-CG1 3.77Å; C542-V1193 HydrophobicContact CB-CG2 4.26Å; C542-L1211 HydrophobicContact CB-CD1 4.06Å; C542-L1211 HydrophobicContact CB-CG 4.3Å; C542-L1212 CarbonylContact C-O 3.53Å; C542-L1212 WeakPolarHBondContact CA-O 3.31Å |
| 543 | Q | 89.8 | Confident | 75.2 | Confident | 39 Ų | 39 | 58.6 Ų | 58.6 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 125.5 | -178.7 | -65.6 | 174.3 | 23.6 | 0 | 0 | 109.4 | D538 L1212 | D538-Q543 HydrophobicContact CB-CG 4.39Å; D538-Q543 PolarHBondContact O-NE2 3.48Å; D538-Q543 VanDerWaalsContact O-NE2 3.09Å; Q543-L1212 HydrophobicContact CB-CB 4.38Å; Q543-L1212 PolarHBondContact N-O 3.29Å; Q543-L1212 PolarHBondContact O-N 3.43Å |
| 544 | M | 91.4 | Very high | 78.1 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 147.7 | 173.6 | -164.6 | 173.3 | -176.3 | 0 | 0 | 110.9 | L554 I558 C602 L605 M606 A609 R612 L1200 C1209 L1211 | M544-L554 HydrophobicContact CE-CD1 4.5Å; M544-L554 HydrophobicContact CE-CD2 4.01Å; M544-I558 HydrophobicContact CE-CD1 4.26Å; M544-C602 HydrophobicContact SD-CB 4.18Å; M544-L605 HydrophobicContact CB-CB 3.72Å; M544-L605 HydrophobicContact SD-CB 4.42Å; M544-M606 HydrophobicContact CE-CG 4.26Å; M544-M606 HydrophobicContact CE-SD 4.19Å; M544-M606 HydrophobicContact SD-CG 3.64Å; M544-M606 HydrophobicContact SD-SD 4.22Å; M544-A609 WeakPolarHBondContact O-CB 3.46Å; M544-R612 PolarHBondContact O-NH1 3.41Å; M544-L1200 HydrophobicContact CE-CD1 4Å; M544-L1200 HydrophobicContact CE-CD2 3.81Å; M544-L1200 HydrophobicContact SD-CD1 4.17Å; M544-C1209 HydrophobicContact CE-CB 3.5Å; M544-L1211 HydrophobicContact CB-CD1 4.47Å |
| 545 | A | 91.2 | Very high | 81.2 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 24% | 0.24 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 145.7 | 165 | 0 | 0 | 0 | 0 | 0 | 109.1 | C1209 R1210 | A545-C1209 CarbonylContact O-C 3.56Å; A545-C1209 VanDerWaalsContact O-CA 3.24Å; A545-C1209 WeakPolarHBondContact O-CA 3.45Å; A545-C1209 WeakPolarHBondContact O-CB 3.39Å; A545-R1210 PolarHBondContact N-O 3.15Å; A545-R1210 PolarHBondContact O-N 3.42Å |
| 546 | F | 92.1 | Very high | 83.9 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 6% | 0.057 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 159.3 | -178.5 | 59.4 | -86.3 | 0 | 0 | 0 | 109.6 | L551 L554 M606 A609 I610 C1209 | F546-L551 HydrophobicContact CD2-CD1 4.09Å; F546-L551 HydrophobicContact CE2-CD1 3.81Å; F546-L554 HydrophobicContact CB-CD2 3.75Å; F546-L554 HydrophobicContact CG-CD2 4.44Å; F546-M606 HydrophobicContact CD1-CB 4.16Å; F546-M606 HydrophobicContact CD1-CE 4.16Å; F546-M606 HydrophobicContact CD1-CG 3.72Å; F546-M606 HydrophobicContact CD2-CE 4.33Å; F546-M606 HydrophobicContact CE1-CB 3.65Å; F546-M606 HydrophobicContact CE1-CE 4.2Å; F546-M606 HydrophobicContact CE1-CG 3.75Å; F546-M606 HydrophobicContact CE2-CE 4.37Å; F546-M606 HydrophobicContact CG-CE 4.23Å; F546-M606 HydrophobicContact CZ-CB 4.34Å; F546-M606 HydrophobicContact CZ-CE 4.3Å; F546-A609 HydrophobicContact CE1-CB 4.12Å; F546-I610 HydrophobicContact CZ-CG1 4.35Å; F546-C1209 HydrophobicContact CB-CB 4.44Å |
| 547 | A | 84.7 | Confident | 86.3 | Confident | 27 Ų | 27 | 38.7 Ų | 38.7 | 22% | 0.223 | 21% | 0.214 | C | C | . | . | trans | -88.9 | 136.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | T549 T550 L551 | A547-T549 PolarHBondContact O-N 2.68Å; A547-T550 HydrophobicContact CB-CG2 4.41Å; A547-T550 PolarHBondContact O-N 3.23Å; A547-T550 VanDerWaalsContact O-N 3.08Å; A547-T550 PolarHBondContact O-OG1 2.92Å; A547-T550 VanDerWaalsContact O-OG1 3.13Å; A547-L551 PolarHBondContact O-N 3.2Å | ||
| 548 | P | 84.2 | Confident | 88.2 | Confident | 95 Ų | 95 | 36 Ų | 36 | 62% | 0.617 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -58.7 | -31.9 | 175.6 | -26.5 | 35.5 | 0 | 0 | 0 | 113.4 | T550 L551 | P548-T550 PolarHBondContact O-N 3.44Å; P548-L551 WeakPolarHBondContact O-CB 3.43Å; P548-L551 PolarHBondContact O-N 3.48Å |
| 549 | T | 88.7 | Confident | 89.4 | Confident | 129 Ų | 129 | 35.8 Ų | 35.8 | 79% | 0.791 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -66.3 | -21.9 | 176.9 | 47 | 0 | 0 | 0 | 0 | 114.1 | A547 | A547-T549 PolarHBondContact O-N 2.68Š|
| 550 | T | 89.3 | Confident | 90 | Very high | 24 Ų | 24 | 32 Ų | 32 | 15% | 0.147 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -109.1 | 6.6 | 179.6 | 63.3 | 0 | 0 | 0 | 0 | 112.2 | A547 P548 Q553 L554 W1208 | A547-T550 HydrophobicContact CB-CG2 4.41Å; A547-T550 PolarHBondContact O-N 3.23Å; A547-T550 VanDerWaalsContact O-N 3.08Å; A547-T550 PolarHBondContact O-OG1 2.92Å; A547-T550 VanDerWaalsContact O-OG1 3.13Å; P548-T550 PolarHBondContact O-N 3.44Å; T550-Q553 PolarHBondContact O-N 2.63Å; T550-L554 WeakPolarHBondContact O-CB 3.33Å; T550-L554 PolarHBondContact O-N 3.44Å; T550-W1208 PolarHBondContact OG1-O 3.41Å |
| 551 | L | 91.3 | Very high | 90.2 | Very high | 29 Ų | 29 | 34.8 Ų | 34.8 | 15% | 0.152 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.7 | -52.2 | -173.2 | 174 | 57.9 | 0 | 0 | 0 | 112.4 | F546 A547 P548 L554 L555 M606 L670 | F546-L551 HydrophobicContact CD2-CD1 4.09Å; F546-L551 HydrophobicContact CE2-CD1 3.81Å; A547-L551 PolarHBondContact O-N 3.2Å; P548-L551 WeakPolarHBondContact O-CB 3.43Å; P548-L551 PolarHBondContact O-N 3.48Å; L551-L554 PolarHBondContact O-N 3.45Å; L551-L555 HydrophobicContact CD1-CD1 3.82Å; L551-L555 HydrophobicContact CD1-CG 3.98Å; L551-L555 HydrophobicContact CG-CD1 4.15Å; L551-L555 WeakPolarHBondContact O-CG 3.5Å; L551-L555 PolarHBondContact O-N 3.43Å; L551-M606 HydrophobicContact CD1-CE 3.33Å; L551-L670 HydrophobicContact CD1-CD1 3.86Å |
| 552 | E | 92.3 | Very high | 90.5 | Very high | 79 Ų | 79 | 34.7 Ų | 34.7 | 37% | 0.369 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.3 | -45.1 | -176.6 | -64.1 | -65.2 | 117.3 | 0 | 0 | 111 | L554 L555 D556 S673 R677 | E552-L554 VanDerWaalsContact C-N 3.32Å; E552-L554 PolarHBondContact O-N 3.05Å; E552-L555 PolarHBondContact O-N 3.23Å; E552-D556 WeakPolarHBondContact O-CB 3.34Å; E552-D556 VanDerWaalsContact O-CG 3.24Å; E552-D556 PolarHBondContact O-N 3.35Å; E552-D556 VanDerWaalsContact O-OD2 3.05Å; E552-S673 WeakPolarHBondContact OE1-CB 3.2Å; E552-S673 PolarHBondContact OE1-OG 3.33Å; E552-R677 PolarHBondContact O-NH2 3.07Å; E552-R677 VanDerWaalsContact O-NH2 3.16Å; E552-R677 IonicContact OE1-NH1 2.88Å; E552-R677 IonicContact OE2-CZ 2.9Å; E552-R677 IonicContact OE2-NH1 2.73Å; E552-R677 PolarHBondContact OE2-NH1 3.37Å; E552-R677 IonicContact OE2-NH2 3.1Å; E552-R677 PolarHBondContact OE2-NH2 2.84Å |
| 553 | Q | 91.7 | Very high | 90.6 | Very high | 107 Ų | 107 | 34.7 Ų | 34.7 | 50% | 0.5 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58 | -42.5 | 174.4 | -65.2 | 179.8 | -10 | 0 | 0 | 112.5 | T550 W557 W1208 | T550-Q553 PolarHBondContact O-N 2.63Å; Q553-W557 WeakPolarHBondContact O-CB 3.27Å; Q553-W557 PolarHBondContact O-N 2.98Å; Q553-W1208 HydrophobicContact CB-CZ2 3.94Å |
| 554 | L | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.5 | -42.8 | 177.8 | 179.3 | 62.7 | 0 | 0 | 0 | 111.2 | M544 F546 T550 L551 E552 W557 I558 M606 A1203 W1208 C1209 | M544-L554 HydrophobicContact CE-CD1 4.5Å; M544-L554 HydrophobicContact CE-CD2 4.01Å; F546-L554 HydrophobicContact CB-CD2 3.75Å; F546-L554 HydrophobicContact CG-CD2 4.44Å; T550-L554 WeakPolarHBondContact O-CB 3.33Å; T550-L554 PolarHBondContact O-N 3.44Å; L551-L554 PolarHBondContact O-N 3.45Å; E552-L554 VanDerWaalsContact C-N 3.32Å; E552-L554 PolarHBondContact O-N 3.05Å; L554-W557 PolarHBondContact O-N 3.48Å; L554-I558 HydrophobicContact CD1-CD1 3.73Å; L554-I558 HydrophobicContact CD1-CG1 4.07Å; L554-I558 HydrophobicContact CD2-CD1 4.46Å; L554-I558 HydrophobicContact CG-CD1 3.73Å; L554-I558 HydrophobicContact CG-CG1 4.38Å; L554-I558 VanDerWaalsContact O-CB 3.31Å; L554-I558 WeakPolarHBondContact O-CB 3.26Å; L554-I558 WeakPolarHBondContact O-CG1 3.39Å; L554-I558 PolarHBondContact O-N 2.9Å; L554-M606 HydrophobicContact CD2-CE 4.02Å; L554-M606 HydrophobicContact CD2-SD 4.22Å; L554-A1203 HydrophobicContact CD1-CB 3.87Å; L554-W1208 HydrophobicContact CB-CB 4.35Å; L554-W1208 HydrophobicContact CD1-CB 4.03Å; L554-W1208 HydrophobicContact CD1-CE3 4.29Å; L554-C1209 HydrophobicContact CD1-CB 4.44Å; L554-C1209 HydrophobicContact CD2-CB 4.11Å |
| 555 | L | 94.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.6 | -38.3 | 176.7 | -69.4 | 176.4 | 0 | 0 | 0 | 112.6 | L551 E552 W557 I558 I559 V603 M606 L670 V674 | L551-L555 HydrophobicContact CD1-CD1 3.82Å; L551-L555 HydrophobicContact CD1-CG 3.98Å; L551-L555 HydrophobicContact CG-CD1 4.15Å; L551-L555 WeakPolarHBondContact O-CG 3.5Å; L551-L555 PolarHBondContact O-N 3.43Å; E552-L555 PolarHBondContact O-N 3.23Å; L555-W557 VanDerWaalsContact C-N 3.28Å; L555-W557 PolarHBondContact O-N 2.95Å; L555-I558 PolarHBondContact O-N 2.87Å; L555-I559 HydrophobicContact CD2-CD1 4.49Å; L555-I559 WeakPolarHBondContact O-CB 3.35Å; L555-I559 PolarHBondContact O-N 3.26Å; L555-V603 HydrophobicContact CD2-CG2 4.25Å; L555-M606 HydrophobicContact CD2-CE 3.82Å; L555-M606 HydrophobicContact CD2-SD 4.26Å; L555-M606 HydrophobicContact CG-CE 4.24Å; L555-L670 HydrophobicContact CD1-CD1 3.93Å; L555-L670 HydrophobicContact CD2-CD1 4.4Å; L555-V674 HydrophobicContact CD1-CG2 4.3Å; L555-V674 HydrophobicContact CD2-CG2 3.93Å |
| 556 | D | 92.5 | Very high | 88.6 | Confident | 67 Ų | 67 | 38 Ų | 38 | 36% | 0.358 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -61.4 | -38.5 | 173.5 | -71.5 | -35.1 | 0 | 0 | 0 | 111.4 | E552 T560 K561 R677 | E552-D556 WeakPolarHBondContact O-CB 3.34Å; E552-D556 VanDerWaalsContact O-CG 3.24Å; E552-D556 PolarHBondContact O-N 3.35Å; E552-D556 VanDerWaalsContact O-OD2 3.05Å; D556-T560 CarbonylContact O-C 2.98Å; D556-T560 WeakPolarHBondContact O-CA 3.43Å; D556-T560 VanDerWaalsContact O-CB 3.24Å; D556-T560 WeakPolarHBondContact O-CB 3.22Å; D556-T560 PolarHBondContact O-N 3.35Å; D556-T560 VanDerWaalsContact O-N 3.11Å; D556-K561 PolarHBondContact O-N 3.06Å; D556-R677 VanDerWaalsContact CG-NH2 3.27Å; D556-R677 IonicContact OD1-CZ 3.21Å; D556-R677 VanDerWaalsContact OD1-CZ 3.24Å; D556-R677 IonicContact OD1-NE 3.33Å; D556-R677 PolarHBondContact OD1-NE 2.91Å; D556-R677 IonicContact OD1-NH2 2.82Å; D556-R677 PolarHBondContact OD1-NH2 3.06Å; D556-R677 IonicContact OD2-NH2 3.52Å; D556-R677 PolarHBondContact OD2-NH2 3.14Å; D556-R677 VanDerWaalsContact OD2-NH2 3.13Å |
| 557 | W | 92.4 | Very high | 87.3 | Confident | 7 Ų | 7 | 38.5 Ų | 38.5 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -71.9 | -51.8 | 174.2 | -175.6 | 93.8 | 0 | 0 | 0 | 111.7 | Q553 L554 L555 I559 K561 Q562 F1199 P1202 A1203 W1208 | Q553-W557 WeakPolarHBondContact O-CB 3.27Å; Q553-W557 PolarHBondContact O-N 2.98Å; L554-W557 PolarHBondContact O-N 3.48Å; L555-W557 VanDerWaalsContact C-N 3.28Å; L555-W557 PolarHBondContact O-N 2.95Å; W557-I559 PolarHBondContact O-N 2.86Å; W557-K561 VanDerWaalsContact CD1-CD 3.47Å; W557-K561 HydrophobicContact CG-CD 4.34Å; W557-K561 WeakPolarHBondContact O-CB 3.44Å; W557-Q562 WeakPolarHBondContact O-CG 3.4Å; W557-Q562 PolarHBondContact O-N 3Å; W557-F1199 WeakPolarHBondContact CH2-O 3.42Å; W557-F1199 HydrophobicContact CZ3-CE1 4.45Å; W557-F1199 HydrophobicContact CZ3-CZ 4.49Å; W557-P1202 HydrophobicContact CH2-CG 4.46Å; W557-P1202 HydrophobicContact CZ2-CB 3.83Å; W557-P1202 HydrophobicContact CZ2-CG 3.93Å; W557-A1203 HydrophobicContact CE3-CB 4.1Å; W557-A1203 HydrophobicContact CH2-CB 4.27Å; W557-A1203 HydrophobicContact CZ3-CB 3.9Å; W557-W1208 HydrophobicContact CB-CE3 4.43Å; W557-W1208 HydrophobicContact CB-CH2 4.19Å; W557-W1208 HydrophobicContact CB-CZ3 3.58Å; W557-W1208 AromaticContact CD1-CZ3 3.8Å; W557-W1208 HydrophobicContact CD2-CZ3 4.26Å; W557-W1208 HydrophobicContact CG-CH2 4.38Å; W557-W1208 AromaticContact CG-CZ3 3.61Å; W557-W1208 HydrophobicContact CG-CZ3 3.61Å |
| 558 | I | 93 | Very high | 86.1 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -60.1 | -44.3 | -176.7 | -73.4 | 175.7 | 0 | 0 | 0 | 112.1 | M544 L554 L555 P599 C602 M606 | M544-I558 HydrophobicContact CE-CD1 4.26Å; L554-I558 HydrophobicContact CD1-CD1 3.73Å; L554-I558 HydrophobicContact CD1-CG1 4.07Å; L554-I558 HydrophobicContact CD2-CD1 4.46Å; L554-I558 HydrophobicContact CG-CD1 3.73Å; L554-I558 HydrophobicContact CG-CG1 4.38Å; L554-I558 VanDerWaalsContact O-CB 3.31Å; L554-I558 WeakPolarHBondContact O-CB 3.26Å; L554-I558 WeakPolarHBondContact O-CG1 3.39Å; L554-I558 PolarHBondContact O-N 2.9Å; L555-I558 PolarHBondContact O-N 2.87Å; I558-P599 HydrophobicContact CG2-CB 3.88Å; I558-P599 WeakPolarHBondContact O-CG 3.32Å; I558-C602 HydrophobicContact CD1-CB 3.92Å; I558-C602 HydrophobicContact CG2-CB 4.41Å; I558-M606 HydrophobicContact CD1-SD 4.12Å |
| 559 | I | 92.5 | Very high | 84.3 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -97.6 | -69.4 | -175.3 | -55.9 | 172.9 | 0 | 0 | 0 | 109 | L555 W557 K561 L563 V603 V674 R677 F678 | L555-I559 HydrophobicContact CD2-CD1 4.49Å; L555-I559 WeakPolarHBondContact O-CB 3.35Å; L555-I559 PolarHBondContact O-N 3.26Å; W557-I559 PolarHBondContact O-N 2.86Å; I559-K561 PolarHBondContact O-N 2.95Å; I559-L563 HydrophobicContact CG2-CD1 3.9Å; I559-L563 VanDerWaalsContact O-CB 3.3Å; I559-L563 WeakPolarHBondContact O-CB 3.34Å; I559-L563 VanDerWaalsContact O-CG 3.32Å; I559-L563 WeakPolarHBondContact O-CG 3.29Å; I559-L563 PolarHBondContact O-N 2.7Å; I559-V603 HydrophobicContact CD1-CG2 4.4Å; I559-V674 HydrophobicContact CD1-CB 4.28Å; I559-V674 HydrophobicContact CD1-CG1 3.91Å; I559-V674 HydrophobicContact CD1-CG2 4.15Å; I559-R677 HydrophobicContact CB-CB 4.28Å; I559-R677 HydrophobicContact CD1-CB 4.1Å; I559-R677 HydrophobicContact CG2-CB 4.04Å; I559-F678 HydrophobicContact CG2-CD1 4.05Å; I559-F678 HydrophobicContact CG2-CE1 4Å |
| 560 | T | 89.1 | Confident | 82.3 | Confident | 21 Ų | 21 | 47.3 Ų | 47.3 | 13% | 0.129 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -67.5 | -37.2 | -165.7 | -44.1 | 0 | 0 | 0 | 0 | 113.2 | D556 K564 | D556-T560 CarbonylContact O-C 2.98Å; D556-T560 WeakPolarHBondContact O-CA 3.43Å; D556-T560 VanDerWaalsContact O-CB 3.24Å; D556-T560 WeakPolarHBondContact O-CB 3.22Å; D556-T560 PolarHBondContact O-N 3.35Å; D556-T560 VanDerWaalsContact O-N 3.11Å; T560-K564 HydrophobicContact CG2-CD 4.21Å; T560-K564 WeakPolarHBondContact O-CB 3.18Å; T560-K564 VanDerWaalsContact O-CD 3.24Å; T560-K564 WeakPolarHBondContact O-CD 3.35Å; T560-K564 WeakPolarHBondContact O-CG 3.27Å |
| 561 | K | 88.7 | Confident | 80 | Confident | 60 Ų | 60 | 52.2 Ų | 52.2 | 26% | 0.261 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -79 | -52.1 | 178.9 | -167.6 | -176.2 | -174.5 | 177.8 | 0 | 111.6 | D556 W557 I559 L563 K564 F565 D589 | D556-K561 PolarHBondContact O-N 3.06Å; W557-K561 VanDerWaalsContact CD1-CD 3.47Å; W557-K561 HydrophobicContact CG-CD 4.34Å; W557-K561 WeakPolarHBondContact O-CB 3.44Å; I559-K561 PolarHBondContact O-N 2.95Å; K561-L563 PolarHBondContact O-N 3.4Å; K561-K564 PolarHBondContact O-N 2.92Å; K561-F565 HydrophobicContact CG-CD2 3.77Å; K561-F565 HydrophobicContact CG-CE2 3.99Å; K561-F565 VanDerWaalsContact O-CD2 3.28Å; K561-F565 WeakPolarHBondContact O-CD2 3.31Å; K561-F565 PolarHBondContact O-N 2.99Å; K561-D589 IonicContact NZ-OD1 3.73Å; K561-D589 PolarHBondContact NZ-OD1 3.36Å; K561-D589 IonicContact NZ-OD2 2.74Å; K561-D589 PolarHBondContact NZ-OD2 3.28Å |
| 562 | Q | 89.9 | Confident | 77.4 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.5 | -42.7 | -176.5 | -67.2 | -57.3 | -29.4 | 0 | 0 | 112.4 | W557 K564 F565 V566 D589 T591 I592 F1199 | W557-Q562 WeakPolarHBondContact O-CG 3.4Å; W557-Q562 PolarHBondContact O-N 3Å; Q562-K564 VanDerWaalsContact C-N 3.33Å; Q562-K564 PolarHBondContact O-N 3.46Å; Q562-F565 PolarHBondContact O-N 3.11Å; Q562-V566 WeakPolarHBondContact O-CG2 3.35Å; Q562-V566 PolarHBondContact O-N 3.05Å; Q562-D589 PolarHBondContact NE2-O 3.21Å; Q562-T591 PolarHBondContact NE2-OG1 3.32Å; Q562-I592 HydrophobicContact CB-CB 4.23Å; Q562-I592 HydrophobicContact CB-CD1 4.27Å; Q562-F1199 HydrophobicContact CG-CE2 3.96Å; Q562-F1199 HydrophobicContact CG-CZ 4.1Å |
| 563 | L | 90.1 | Very high | 74.8 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.4 | -25.1 | 178.6 | -65.4 | 176.4 | 0 | 0 | 0 | 113.8 | I559 K561 I592 F678 F681 S729 A732 W733 | I559-L563 HydrophobicContact CG2-CD1 3.9Å; I559-L563 VanDerWaalsContact O-CB 3.3Å; I559-L563 WeakPolarHBondContact O-CB 3.34Å; I559-L563 VanDerWaalsContact O-CG 3.32Å; I559-L563 WeakPolarHBondContact O-CG 3.29Å; I559-L563 PolarHBondContact O-N 2.7Å; K561-L563 PolarHBondContact O-N 3.4Å; L563-I592 HydrophobicContact CD2-CD1 3.94Å; L563-F678 HydrophobicContact CD1-CD1 4.42Å; L563-F678 HydrophobicContact CD1-CE1 4.07Å; L563-F681 VanDerWaalsContact C-CE2 3.47Å; L563-F681 HydrophobicContact CB-CD2 3.86Å; L563-F681 HydrophobicContact CB-CE1 4.48Å; L563-F681 HydrophobicContact CB-CE2 3.52Å; L563-F681 HydrophobicContact CB-CG 4.48Å; L563-F681 HydrophobicContact CB-CZ 3.86Å; L563-F681 WeakPolarHBondContact O-CE2 3.41Å; L563-S729 WeakPolarHBondContact O-CB 3.42Å; L563-S729 PolarHBondContact O-OG 2.72Å; L563-A732 HydrophobicContact CD2-CB 3.83Å; L563-W733 HydrophobicContact CD1-CB 4.29Å |
| 564 | K | 85.1 | Confident | 72.1 | Confident | 50 Ų | 50 | 63.8 Ų | 63.8 | 22% | 0.217 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -79.6 | -22.8 | 177.3 | -73 | -179.6 | -174.1 | -178.7 | 0 | 113.5 | T560 K561 Q562 F681 Y684 | T560-K564 HydrophobicContact CG2-CD 4.21Å; T560-K564 WeakPolarHBondContact O-CB 3.18Å; T560-K564 VanDerWaalsContact O-CD 3.24Å; T560-K564 WeakPolarHBondContact O-CD 3.35Å; T560-K564 WeakPolarHBondContact O-CG 3.27Å; K561-K564 PolarHBondContact O-N 2.92Å; Q562-K564 VanDerWaalsContact C-N 3.33Å; Q562-K564 PolarHBondContact O-N 3.46Å; K564-F681 HydrophobicContact CG-CD2 3.8Å; K564-F681 HydrophobicContact CG-CE2 3.7Å; K564-Y684 HydrophobicContact CB-CE1 4.23Å; K564-Y684 HydrophobicContact CD-CD1 4.14Å; K564-Y684 HydrophobicContact CD-CD2 3.88Å; K564-Y684 HydrophobicContact CD-CE1 4.35Å; K564-Y684 HydrophobicContact CD-CE2 4.09Å; K564-Y684 HydrophobicContact CD-CG 3.9Å; K564-Y684 VanDerWaalsContact CE-CG 3.45Å; K564-Y684 HydrophobicContact CG-CD1 3.74Å; K564-Y684 HydrophobicContact CG-CD2 4.3Å; K564-Y684 HydrophobicContact CG-CE1 3.69Å; K564-Y684 HydrophobicContact CG-CE2 4.24Å; K564-Y684 HydrophobicContact CG-CG 4.05Å |
| 565 | F | 73.4 | Confident | 69.4 | Low | 72 Ų | 72 | 72.1 Ų | 72.1 | 32% | 0.316 | 35% | 0.345 | S | S | . | . | trans | -120.3 | 17.9 | -167.8 | -62.5 | -53.5 | 0 | 0 | 0 | 115.4 | K561 Q562 H567 Q568 V590 | K561-F565 HydrophobicContact CG-CD2 3.77Å; K561-F565 HydrophobicContact CG-CE2 3.99Å; K561-F565 VanDerWaalsContact O-CD2 3.28Å; K561-F565 WeakPolarHBondContact O-CD2 3.31Å; K561-F565 PolarHBondContact O-N 2.99Å; Q562-F565 PolarHBondContact O-N 3.11Å; F565-H567 PolarHBondContact O-N 3.4Å; F565-Q568 HydrophobicContact CB-CG 4.18Å; F565-Q568 HydrophobicContact CD1-CG 4.08Å; F565-Q568 VanDerWaalsContact CD1-NE2 3.27Å; F565-Q568 PolarHBondContact O-N 2.96Å; F565-V590 HydrophobicContact CB-CG2 3.56Å; F565-V590 WeakPolarHBondContact O-CG1 3.09Å | ||
| 566 | V | 70.8 | Confident | 66.7 | Low | 16 Ų | 16 | 77.8 Ų | 77.8 | 10% | 0.097 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | -4.4 | 173.9 | -176.5 | 0 | 0 | 0 | 0 | 115.2 | Q562 I592 K728 A732 | Q562-V566 WeakPolarHBondContact O-CG2 3.35Å; Q562-V566 PolarHBondContact O-N 3.05Å; V566-I592 HydrophobicContact CB-CG2 4.33Å; V566-I592 HydrophobicContact CG1-CG2 4.48Å; V566-I592 HydrophobicContact CG2-CD1 4.14Å; V566-I592 HydrophobicContact CG2-CG2 3.96Å; V566-K728 HydrophobicContact CG1-CB 3.97Å; V566-A732 HydrophobicContact CG2-CB 4.09Å |
| 567 | H | 65.2 | Low | 63.8 | Low | 23 Ų | 23 | 81.8 Ų | 81.8 | 11% | 0.106 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123 | -9.6 | -167.1 | -59.9 | -90.7 | 0 | 0 | 0 | 114.8 | F565 L569 I724 D725 K728 S729 | F565-H567 PolarHBondContact O-N 3.4Å; H567-L569 VanDerWaalsContact C-N 3.3Å; H567-L569 PolarHBondContact O-N 3.26Å; H567-I724 PolarHBondContact CE1-O 3.2Å; H567-I724 VanDerWaalsContact CE1-O 3.26Å; H567-D725 HydrophobicContact CB-CB 4.12Å; H567-D725 PolarHBondContact CD2-O 2.85Å; H567-D725 WeakPolarHBondContact CE1-CA 3.36Å; H567-D725 PolarHBondContact CE1-O 3.21Å; H567-D725 IonicContact CE1-OD1 3.73Å; H567-D725 IonicContact CG-OD1 2.74Å; H567-D725 VanDerWaalsContact ND1-CA 3.32Å; H567-D725 WeakPolarHBondContact ND1-CA 3.47Å; H567-D725 IonicContact ND1-OD1 2.81Å; H567-D725 PolarHBondContact ND1-OD1 2.9Å; H567-D725 PolarHBondContact NE2-O 2.99Å; H567-K728 WeakPolarHBondContact CE1-CB 3.34Å; H567-K728 WeakPolarHBondContact CE1-CG 3.45Å; H567-K728 PolarHBondContact CE1-NZ 2.92Å; H567-K728 PolarHBondContact ND1-NZ 3.1Å; H567-S729 PolarHBondContact CD2-OG 2.96Å; H567-S729 PolarHBondContact NE2-N 2.82Å; H567-S729 VanDerWaalsContact NE2-N 3.14Å; H567-S729 PolarHBondContact NE2-OG 3.11Å |
| 568 | Q | 58.6 | Low | 61.2 | Low | 124 Ų | 124 | 87.3 Ų | 87.3 | 58% | 0.579 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -7 | -163.1 | -70.7 | -165.2 | -33.9 | 0 | 0 | 115.4 | F565 V590 | F565-Q568 HydrophobicContact CB-CG 4.18Å; F565-Q568 HydrophobicContact CD1-CG 4.08Å; F565-Q568 VanDerWaalsContact CD1-NE2 3.27Å; F565-Q568 PolarHBondContact O-N 2.96Å; Q568-V590 HydrophobicContact CB-CG2 4.45Å |
| 569 | L | 46.3 | Very low | 58.5 | Low | 77 Ų | 77 | 92.9 Ų | 92.9 | 40% | 0.403 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -5.5 | -162.9 | -106.8 | 131.3 | 0 | 0 | 0 | 118.2 | H567 V590 | H567-L569 VanDerWaalsContact C-N 3.3Å; H567-L569 PolarHBondContact O-N 3.26Å; L569-V590 HydrophobicContact CD1-CB 3.84Å; L569-V590 HydrophobicContact CD1-CG2 4.45Å |
| 570 | R | 46.8 | Very low | 55.8 | Low | 236 Ų | 236 | 98.6 Ų | 98.6 | 89% | 0.891 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -82.9 | -12.4 | -177.7 | -158.7 | 164 | -174.9 | 165.3 | 3.7 | 115.6 | S572 | R570-S572 PolarHBondContact O-N 3.48Š|
| 571 | N | 42.2 | Very low | 53.3 | Low | 126 Ų | 126 | 103 Ų | 103 | 67% | 0.674 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -91.4 | 8.8 | -171 | -77.3 | 27.9 | 0 | 0 | 0 | 115.7 | ||
| 572 | S | 36.3 | Very low | 50.7 | Low | 100 Ų | 100 | 105.9 Ų | 105.9 | 70% | 0.699 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -117.7 | 7.9 | -170.8 | -162.6 | 0 | 0 | 0 | 0 | 116.2 | R570 | R570-S572 PolarHBondContact O-N 3.48Š|
| 573 | H | 37.6 | Very low | 48.2 | Very low | 175 Ų | 175 | 113.9 Ų | 113.9 | 81% | 0.81 | 60% | 0.603 | S | S | * | * | trans | -125.1 | 53.2 | -173.7 | -81.5 | 0.7 | 0 | 0 | 0 | 114.5 | ||||
| 574 | H | 35.2 | Very low | 45.6 | Very low | 184 Ų | 184 | 120.3 Ų | 120.3 | 85% | 0.852 | 64% | 0.637 | S | S | * | * | trans | -139.2 | 47.3 | 167.3 | -88.8 | -13.3 | 0 | 0 | 0 | 112.9 | ||||
| 575 | H | 37.7 | Very low | 43.3 | Very low | 175 Ų | 175 | 125 Ų | 125 | 81% | 0.81 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -141.6 | 117.7 | 164 | -93.1 | -71.8 | 0 | 0 | 0 | 113.4 | ||
| 576 | T | 36.3 | Very low | 41.8 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 72% | 0.724 | 69% | 0.693 | S | S | * | * | trans | 40.2 | 108.4 | 149.4 | 46 | 0 | 0 | 0 | 0 | 119.9 | T578 | T576-T578 PolarHBondContact O-N 3.47Å; T576-T578 VanDerWaalsContact O-N 3.11Å | ||
| 577 | T | 32.7 | Very low | 40.6 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 93% | 0.926 | 73% | 0.728 | S | S | * | * | trans | -58.8 | 103.6 | 159.5 | -41.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 578 | T | 38.4 | Very low | 40 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | trans | -151.3 | 154.3 | 161.6 | -26.6 | 0 | 0 | 0 | 0 | 111.5 | T576 | T576-T578 PolarHBondContact O-N 3.47Å; T576-T578 VanDerWaalsContact O-N 3.11Å | ||
| 579 | T | 35.8 | Very low | 40.1 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | trans | -67.1 | 166.3 | -166 | 46 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 580 | T | 36 | Very low | 41 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | trans | 80.6 | 126.8 | 148.8 | 36.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 581 | T | 36.1 | Very low | 42.5 | Very low | 115 Ų | 115 | 123.8 Ų | 123.8 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | trans | 66.3 | 101.5 | 143.4 | 51.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 582 | T | 34.6 | Very low | 44.3 | Very low | 119 Ų | 119 | 118 Ų | 118 | 73% | 0.73 | 65% | 0.653 | S | S | * | * | 52.6 | 100.3 | 128.2 | 59.1 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 583 | N | 36.8 | Very low | 46.2 | Very low | 169 Ų | 169 | 118 Ų | 118 | 90% | 0.904 | 65% | 0.646 | S | S | * | * | -161 | 147.3 | 123.1 | -108 | -41.4 | 0 | 0 | 0 | 111.2 | |||||
| 584 | N | 34.7 | Very low | 48.3 | Very low | 136 Ų | 136 | 113.3 Ų | 113.3 | 73% | 0.727 | 63% | 0.626 | S | S | * | * | trans | -106.9 | 152.9 | -168.1 | -58.8 | -24.2 | 0 | 0 | 0 | 112.6 | ||||
| 585 | N | 37.2 | Very low | 50.8 | Low | 149 Ų | 149 | 104.9 Ų | 104.9 | 80% | 0.797 | 59% | 0.587 | S | S | * | * | S | Bend | 155.1 | -16.7 | 125.9 | -77.8 | -10.3 | 0 | 0 | 0 | 116 | |||
| 586 | N | 41.8 | Very low | 53.3 | Low | 168 Ų | 168 | 97.5 Ų | 97.5 | 90% | 0.898 | 56% | 0.555 | S | S | * | * | trans | -105.7 | 33.5 | -168.5 | -67.6 | -7.4 | 0 | 0 | 0 | 115 | ||||
| 587 | Q | 46.5 | Very low | 56 | Low | 179 Ų | 179 | 92 Ų | 92 | 84% | 0.836 | 52% | 0.522 | S | S | * | . | trans | -104.2 | 105.2 | -160.3 | -158 | 155.6 | 5.1 | 0 | 0 | 114.8 | ||||
| 588 | S | 53.4 | Low | 58.8 | Low | 69 Ų | 69 | 84.9 Ų | 84.9 | 48% | 0.483 | 48% | 0.478 | S | S | . | . | trans | 49.7 | 80.9 | 158.9 | 59.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 589 | D | 59.4 | Low | 61.5 | Low | 85 Ų | 85 | 79.1 Ų | 79.1 | 46% | 0.455 | 44% | 0.442 | S | S | . | . | trans | -83.7 | -11.6 | 176.6 | -137.7 | -33.9 | 0 | 0 | 0 | 113.8 | K561 Q562 | K561-D589 IonicContact NZ-OD1 3.73Å; K561-D589 PolarHBondContact NZ-OD1 3.36Å; K561-D589 IonicContact NZ-OD2 2.74Å; K561-D589 PolarHBondContact NZ-OD2 3.28Å; Q562-D589 PolarHBondContact NE2-O 3.21Å | ||
| 590 | V | 66.3 | Low | 64.3 | Low | 13 Ų | 13 | 73.6 Ų | 73.6 | 8% | 0.079 | 41% | 0.409 | C | S | . | . | trans | -95.2 | 127.7 | -178.9 | -176 | 0 | 0 | 0 | 0 | 109.1 | F565 Q568 L569 I592 | F565-V590 HydrophobicContact CB-CG2 3.56Å; F565-V590 WeakPolarHBondContact O-CG1 3.09Å; Q568-V590 HydrophobicContact CB-CG2 4.45Å; L569-V590 HydrophobicContact CD1-CB 3.84Å; L569-V590 HydrophobicContact CD1-CG2 4.45Å; V590-I592 HydrophobicContact CG1-CG2 3.89Å | ||
| 591 | T | 77.4 | Confident | 67.1 | Low | 8 Ų | 8 | 67.9 Ų | 67.9 | 5% | 0.049 | 37% | 0.374 | C | S | . | . | trans | -126.7 | -3.7 | -176.3 | 59.5 | 0 | 0 | 0 | 0 | 113.7 | Q562 D593 L594 F1199 P1202 | Q562-T591 PolarHBondContact NE2-OG1 3.32Å; T591-D593 VanDerWaalsContact C-N 3.25Å; T591-D593 PolarHBondContact O-N 3.03Å; T591-L594 HydrophobicContact CG2-CD1 4.29Å; T591-L594 VanDerWaalsContact O-CB 3.26Å; T591-L594 WeakPolarHBondContact O-CB 3.31Å; T591-L594 PolarHBondContact O-N 2.93Å; T591-F1199 WeakPolarHBondContact CB-O 3.49Å; T591-F1199 WeakPolarHBondContact OG1-CD2 3.24Å; T591-F1199 PolarHBondContact OG1-O 3.38Å; T591-P1202 HydrophobicContact CG2-CG 3.71Å | ||
| 592 | I | 79.4 | Confident | 69.9 | Low | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -60.1 | -29.7 | -178.2 | -164.1 | 165.6 | 0 | 0 | 0 | 114.1 | Q562 L563 V566 V590 L594 C595 P596 P599 A732 F1199 | Q562-I592 HydrophobicContact CB-CB 4.23Å; Q562-I592 HydrophobicContact CB-CD1 4.27Å; L563-I592 HydrophobicContact CD2-CD1 3.94Å; V566-I592 HydrophobicContact CB-CG2 4.33Å; V566-I592 HydrophobicContact CG1-CG2 4.48Å; V566-I592 HydrophobicContact CG2-CD1 4.14Å; V566-I592 HydrophobicContact CG2-CG2 3.96Å; V590-I592 HydrophobicContact CG1-CG2 3.89Å; I592-L594 PolarHBondContact O-N 3.15Å; I592-C595 CarbonylContact O-C 3.54Å; I592-C595 PolarHBondContact O-N 3.14Å; I592-C595 VanDerWaalsContact O-N 3.08Å; I592-P596 VanDerWaalsContact O-CA 3.28Å; I592-P596 WeakPolarHBondContact O-CA 3.5Å; I592-P599 HydrophobicContact CD1-CG 4.18Å; I592-A732 HydrophobicContact CD1-CB 4.23Å; I592-F1199 HydrophobicContact CB-CE2 4.34Å |
| 593 | D | 76.6 | Confident | 72.8 | Confident | 100 Ų | 100 | 56.8 Ų | 56.8 | 54% | 0.535 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -62.6 | -23.5 | 173.8 | -67.3 | -26.9 | 0 | 0 | 0 | 112.9 | T591 | T591-D593 VanDerWaalsContact C-N 3.25Å; T591-D593 PolarHBondContact O-N 3.03Å |
| 594 | L | 82.7 | Confident | 75.6 | Confident | 77 Ų | 77 | 48.7 Ų | 48.7 | 40% | 0.403 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -80.2 | -25.7 | 176.6 | -55.3 | 166.1 | 0 | 0 | 0 | 112.3 | T591 I592 S1195 Q1198 | T591-L594 HydrophobicContact CG2-CD1 4.29Å; T591-L594 VanDerWaalsContact O-CB 3.26Å; T591-L594 WeakPolarHBondContact O-CB 3.31Å; T591-L594 PolarHBondContact O-N 2.93Å; I592-L594 PolarHBondContact O-N 3.15Å; L594-S1195 WeakPolarHBondContact O-CB 3.48Å; L594-Q1198 HydrophobicContact CB-CB 4.47Å; L594-Q1198 HydrophobicContact CD1-CB 4.24Å |
| 595 | C | 87.9 | Confident | 78.4 | Confident | 6 Ų | 6 | 42.2 Ų | 42.2 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | trans | -155.4 | 90.4 | 176.7 | -161.6 | 0 | 0 | 0 | 0 | 109.5 | I592 L597 G598 F1199 | I592-C595 CarbonylContact O-C 3.54Å; I592-C595 PolarHBondContact O-N 3.14Å; I592-C595 VanDerWaalsContact O-N 3.08Å; C595-L597 PolarHBondContact O-N 3.41Å; C595-G598 WeakPolarHBondContact O-CA 3.25Å; C595-G598 PolarHBondContact O-N 2.9Å; C595-F1199 HydrophobicContact CB-CB 3.69Å; C595-F1199 HydrophobicContact CB-CD2 4.37Å; C595-F1199 HydrophobicContact CB-CG 4.17Å | ||
| 596 | P | 89.9 | Confident | 81.2 | Confident | 21 Ų | 21 | 35.1 Ų | 35.1 | 14% | 0.136 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -28.6 | -172.9 | -29 | 37.2 | 0 | 0 | 0 | 114.4 | I592 N736 S915 Y917 | I592-P596 VanDerWaalsContact O-CA 3.28Å; I592-P596 WeakPolarHBondContact O-CA 3.5Å; P596-N736 PolarHBondContact O-ND2 3.27Å; P596-S915 VanDerWaalsContact CG-O 3.28Å; P596-S915 WeakPolarHBondContact CG-O 3.46Å; P596-Y917 HydrophobicContact CB-CD2 4.15Å; P596-Y917 HydrophobicContact CG-CD2 4.03Å; P596-Y917 HydrophobicContact CG-CE2 4.1Å |
| 597 | L | 92.4 | Very high | 83.8 | Confident | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 10.4 | 173.7 | -63.4 | 174.5 | 0 | 0 | 0 | 113.2 | C595 A600 M601 A735 N736 Q739 P1141 I1191 | C595-L597 PolarHBondContact O-N 3.41Å; L597-A600 PolarHBondContact O-N 3.5Å; L597-M601 WeakPolarHBondContact O-CG 3.4Å; L597-M601 PolarHBondContact O-N 2.69Å; L597-A735 HydrophobicContact CD2-CB 3.83Å; L597-N736 WeakPolarHBondContact CA-OD1 3.42Å; L597-N736 PolarHBondContact O-OD1 3.16Å; L597-Q739 HydrophobicContact CD1-CG 4.32Å; L597-Q739 HydrophobicContact CD2-CB 4.03Å; L597-Q739 HydrophobicContact CD2-CG 4.27Å; L597-P1141 HydrophobicContact CD1-CB 3.78Å; L597-P1141 HydrophobicContact CD1-CG 3.77Å; L597-I1191 HydrophobicContact CB-CD1 4.31Å; L597-I1191 HydrophobicContact CD1-CD1 3.87Å; L597-I1191 HydrophobicContact CD1-CG1 4.4Å |
| 598 | G | 92 | Very high | 86 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -50.4 | -47.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | C595 A600 M601 C602 | C595-G598 WeakPolarHBondContact O-CA 3.25Å; C595-G598 PolarHBondContact O-N 2.9Å; G598-A600 PolarHBondContact O-N 3.45Å; G598-M601 PolarHBondContact O-N 3.4Å; G598-C602 WeakPolarHBondContact O-CB 3.36Å; G598-C602 PolarHBondContact O-N 3.27Å; G598-C602 PolarHBondContact O-SG 2.76Å |
| 599 | P | 94.5 | Very high | 87.9 | Confident | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.013 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -56.6 | -50.4 | 177.1 | -25.1 | 32.1 | 0 | 0 | 0 | 114.4 | I558 I592 C602 V603 N736 F1199 | I558-P599 HydrophobicContact CG2-CB 3.88Å; I558-P599 WeakPolarHBondContact O-CG 3.32Å; I592-P599 HydrophobicContact CD1-CG 4.18Å; P599-C602 PolarHBondContact O-N 3.41Å; P599-V603 WeakPolarHBondContact O-CG2 3.48Å; P599-V603 PolarHBondContact O-N 3.2Å; P599-N736 HydrophobicContact CB-CB 4.4Å; P599-N736 WeakPolarHBondContact CB-OD1 3.32Å; P599-N736 VanDerWaalsContact CD-OD1 3.24Å; P599-N736 WeakPolarHBondContact CD-OD1 3.06Å; P599-F1199 HydrophobicContact CG-CE2 4.39Å; P599-F1199 HydrophobicContact CG-CZ 3.94Å |
| 600 | A | 95.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 12.5 Ų | 12.5 | 2% | 0.017 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.7 | -46.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L597 G598 C602 V603 Y604 N736 Q739 L740 | L597-A600 PolarHBondContact O-N 3.5Å; G598-A600 PolarHBondContact O-N 3.45Å; A600-C602 VanDerWaalsContact C-N 3.33Å; A600-C602 PolarHBondContact O-N 3.13Å; A600-V603 PolarHBondContact O-N 3.43Å; A600-Y604 WeakPolarHBondContact O-CB 3.42Å; A600-Y604 PolarHBondContact O-N 3.39Å; A600-N736 HydrophobicContact CB-CB 4.22Å; A600-N736 WeakPolarHBondContact CB-O 3.23Å; A600-N736 WeakPolarHBondContact CB-OD1 3.5Å; A600-N736 PolarHBondContact N-OD1 3.31Å; A600-Q739 HydrophobicContact CB-CB 4.11Å; A600-Q739 HydrophobicContact CB-CG 4.02Å; A600-L740 HydrophobicContact CB-CB 4.13Å |
| 601 | M | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.6 | -36.9 | -179.9 | -66.6 | -56 | -60 | 0 | 0 | 112.3 | L597 G598 L605 L743 I1191 I1196 W1242 | L597-M601 WeakPolarHBondContact O-CG 3.4Å; L597-M601 PolarHBondContact O-N 2.69Å; G598-M601 PolarHBondContact O-N 3.4Å; M601-L605 WeakPolarHBondContact O-CB 3.22Å; M601-L605 VanDerWaalsContact O-CG 3.26Å; M601-L605 WeakPolarHBondContact O-CG 3.3Å; M601-L605 PolarHBondContact O-N 3.26Å; M601-L743 HydrophobicContact SD-CD1 3.87Å; M601-I1191 HydrophobicContact CE-CG2 4.14Å; M601-I1191 HydrophobicContact CG-CD1 4.12Å; M601-I1191 HydrophobicContact CG-CG2 3.92Å; M601-I1191 HydrophobicContact SD-CD1 3.94Å; M601-I1191 HydrophobicContact SD-CG2 4.32Å; M601-I1196 HydrophobicContact CB-CD1 3.92Å; M601-I1196 HydrophobicContact CB-CG1 4.49Å; M601-I1196 HydrophobicContact CE-CD1 4.47Å; M601-I1196 HydrophobicContact CG-CD1 4.3Å; M601-W1242 HydrophobicContact CE-CD2 3.49Å; M601-W1242 VanDerWaalsContact CE-CD2 3.49Å; M601-W1242 HydrophobicContact CE-CE3 3.33Å; M601-W1242 HydrophobicContact CE-CG 4.05Å; M601-W1242 HydrophobicContact CE-CH2 4.15Å; M601-W1242 HydrophobicContact CE-CZ2 4.27Å; M601-W1242 HydrophobicContact CE-CZ3 3.68Å |
| 602 | C | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -69.6 | -44.2 | 176.9 | -66.1 | 0 | 0 | 0 | 0 | 111.8 | M544 I558 G598 P599 A600 Y604 L605 M606 | M544-C602 HydrophobicContact SD-CB 4.18Å; I558-C602 HydrophobicContact CD1-CB 3.92Å; I558-C602 HydrophobicContact CG2-CB 4.41Å; G598-C602 WeakPolarHBondContact O-CB 3.36Å; G598-C602 PolarHBondContact O-N 3.27Å; G598-C602 PolarHBondContact O-SG 2.76Å; P599-C602 PolarHBondContact O-N 3.41Å; A600-C602 VanDerWaalsContact C-N 3.33Å; A600-C602 PolarHBondContact O-N 3.13Å; C602-Y604 VanDerWaalsContact C-N 3.33Å; C602-Y604 PolarHBondContact O-N 2.93Å; C602-L605 PolarHBondContact O-N 2.77Å; C602-M606 VanDerWaalsContact O-CG 3.22Å; C602-M606 WeakPolarHBondContact O-CG 3.24Å; C602-M606 PolarHBondContact O-N 2.91Å |
| 603 | V | 95.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.006 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 175.3 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | L555 I559 P599 A600 M606 L607 V674 L740 | L555-V603 HydrophobicContact CD2-CG2 4.25Å; I559-V603 HydrophobicContact CD1-CG2 4.4Å; P599-V603 WeakPolarHBondContact O-CG2 3.48Å; P599-V603 PolarHBondContact O-N 3.2Å; A600-V603 PolarHBondContact O-N 3.43Å; V603-M606 WeakPolarHBondContact O-CB 3.39Å; V603-M606 PolarHBondContact O-N 3.24Å; V603-M606 VanDerWaalsContact O-N 3.17Å; V603-L607 HydrophobicContact CG1-CD1 4.2Å; V603-L607 PolarHBondContact O-N 3.42Å; V603-V674 HydrophobicContact CG1-CG1 4.29Å; V603-V674 HydrophobicContact CG1-CG2 3.76Å; V603-V674 HydrophobicContact CG2-CG2 4.03Å; V603-L740 HydrophobicContact CB-CD1 4.1Å; V603-L740 HydrophobicContact CB-CD2 4.41Å; V603-L740 HydrophobicContact CG1-CD1 3.78Å; V603-L740 HydrophobicContact CG1-CD2 3.93Å |
| 604 | Y | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 174.1 | 175.1 | -115.1 | 0 | 0 | 0 | 112.4 | L540 A600 C602 M606 L607 R608 L743 D747 F750 | L540-Y604 HydrophobicContact CD1-CE1 4.16Å; L540-Y604 HydrophobicContact CD2-CE1 4.11Å; A600-Y604 WeakPolarHBondContact O-CB 3.42Å; A600-Y604 PolarHBondContact O-N 3.39Å; C602-Y604 VanDerWaalsContact C-N 3.33Å; C602-Y604 PolarHBondContact O-N 2.93Å; Y604-M606 PolarHBondContact O-N 2.87Å; Y604-L607 PolarHBondContact O-N 3.49Å; Y604-R608 HydrophobicContact CD2-CG 4.37Å; Y604-R608 HydrophobicContact CE1-CG 4.42Å; Y604-R608 HydrophobicContact CE2-CG 3.95Å; Y604-R608 WeakPolarHBondContact O-CB 3.2Å; Y604-R608 PolarHBondContact O-N 3.27Å; Y604-L743 HydrophobicContact CD1-CD1 4.28Å; Y604-L743 HydrophobicContact CD1-CD2 4.07Å; Y604-L743 HydrophobicContact CD2-CB 3.95Å; Y604-L743 HydrophobicContact CD2-CD2 4.39Å; Y604-L743 HydrophobicContact CE1-CD2 4.05Å; Y604-L743 HydrophobicContact CE2-CB 4.39Å; Y604-L743 HydrophobicContact CE2-CD2 4.38Å; Y604-L743 HydrophobicContact CG-CB 4.21Å; Y604-L743 HydrophobicContact CG-CD1 4.04Å; Y604-L743 HydrophobicContact CG-CD2 4.23Å; Y604-L743 HydrophobicContact CG-CG 4.39Å; Y604-D747 WeakPolarHBondContact CE2-OD2 3.36Å; Y604-F750 HydrophobicContact CD2-CE2 4.15Å; Y604-F750 HydrophobicContact CD2-CZ 4.36Å; Y604-F750 HydrophobicContact CE2-CE2 4.12Å; Y604-F750 HydrophobicContact CE2-CZ 4.28Å |
| 605 | L | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63.2 | -27.4 | 174.3 | -75.4 | 171 | 0 | 0 | 0 | 113.4 | L540 C542 M544 M601 C602 A609 R612 I1196 W1242 | L540-L605 HydrophobicContact CD1-CD2 4.24Å; C542-L605 VanDerWaalsContact O-CD2 3.27Å; C542-L605 WeakPolarHBondContact O-CD2 3.47Å; M544-L605 HydrophobicContact CB-CB 3.72Å; M544-L605 HydrophobicContact SD-CB 4.42Å; M601-L605 WeakPolarHBondContact O-CB 3.22Å; M601-L605 VanDerWaalsContact O-CG 3.26Å; M601-L605 WeakPolarHBondContact O-CG 3.3Å; M601-L605 PolarHBondContact O-N 3.26Å; C602-L605 PolarHBondContact O-N 2.77Å; L605-A609 WeakPolarHBondContact O-CB 3.43Å; L605-A609 PolarHBondContact O-N 3.41Å; L605-R612 PolarHBondContact O-NH2 2.87Å; L605-R612 VanDerWaalsContact O-NH2 3.13Å; L605-I1196 HydrophobicContact CD1-CG2 4.38Å; L605-W1242 HydrophobicContact CD2-CZ3 4.41Å |
| 606 | M | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -76.1 | -44.7 | 173.8 | -69.1 | 168.2 | 67 | 0 | 0 | 112.1 | M544 F546 L551 L554 L555 I558 C602 V603 Y604 R608 A609 I610 L670 | M544-M606 HydrophobicContact CE-CG 4.26Å; M544-M606 HydrophobicContact CE-SD 4.19Å; M544-M606 HydrophobicContact SD-CG 3.64Å; M544-M606 HydrophobicContact SD-SD 4.22Å; F546-M606 HydrophobicContact CD1-CB 4.16Å; F546-M606 HydrophobicContact CD1-CE 4.16Å; F546-M606 HydrophobicContact CD1-CG 3.72Å; F546-M606 HydrophobicContact CD2-CE 4.33Å; F546-M606 HydrophobicContact CE1-CB 3.65Å; F546-M606 HydrophobicContact CE1-CE 4.2Å; F546-M606 HydrophobicContact CE1-CG 3.75Å; F546-M606 HydrophobicContact CE2-CE 4.37Å; F546-M606 HydrophobicContact CG-CE 4.23Å; F546-M606 HydrophobicContact CZ-CB 4.34Å; F546-M606 HydrophobicContact CZ-CE 4.3Å; L551-M606 HydrophobicContact CD1-CE 3.33Å; L554-M606 HydrophobicContact CD2-CE 4.02Å; L554-M606 HydrophobicContact CD2-SD 4.22Å; L555-M606 HydrophobicContact CD2-CE 3.82Å; L555-M606 HydrophobicContact CD2-SD 4.26Å; L555-M606 HydrophobicContact CG-CE 4.24Å; I558-M606 HydrophobicContact CD1-SD 4.12Å; C602-M606 VanDerWaalsContact O-CG 3.22Å; C602-M606 WeakPolarHBondContact O-CG 3.24Å; C602-M606 PolarHBondContact O-N 2.91Å; V603-M606 WeakPolarHBondContact O-CB 3.39Å; V603-M606 PolarHBondContact O-N 3.24Å; V603-M606 VanDerWaalsContact O-N 3.17Å; Y604-M606 PolarHBondContact O-N 2.87Å; M606-R608 VanDerWaalsContact C-N 3.35Å; M606-R608 PolarHBondContact O-N 2.73Å; M606-A609 WeakPolarHBondContact O-CA 3.38Å; M606-A609 WeakPolarHBondContact O-CB 3.11Å; M606-A609 PolarHBondContact O-N 3.02Å; M606-I610 PolarHBondContact O-N 2.91Å; M606-L670 HydrophobicContact CB-CD2 3.83Å; M606-L670 HydrophobicContact CE-CD1 4.22Å |
| 607 | L | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.4 | -46.7 | 171.6 | -71.3 | 161.9 | 0 | 0 | 0 | 110.7 | V603 Y604 A609 I610 C611 L667 L670 I744 F750 | V603-L607 HydrophobicContact CG1-CD1 4.2Å; V603-L607 PolarHBondContact O-N 3.42Å; Y604-L607 PolarHBondContact O-N 3.49Å; L607-A609 PolarHBondContact O-N 3.37Å; L607-I610 WeakPolarHBondContact O-CB 3.47Å; L607-I610 PolarHBondContact O-N 3.11Å; L607-I610 VanDerWaalsContact O-N 3.07Å; L607-C611 PolarHBondContact O-N 2.67Å; L607-L667 HydrophobicContact CB-CD2 4.22Å; L607-L667 HydrophobicContact CD2-CD2 3.77Å; L607-L670 HydrophobicContact CB-CD2 4.47Å; L607-L670 HydrophobicContact CD2-CB 4.24Å; L607-L670 HydrophobicContact CD2-CD2 3.79Å; L607-L670 HydrophobicContact CD2-CG 4.11Å; L607-L670 HydrophobicContact CG-CD2 3.83Å; L607-L670 HydrophobicContact CG-CG 4.46Å; L607-I744 HydrophobicContact CD1-CD1 3.96Å; L607-I744 HydrophobicContact CD1-CG1 4Å; L607-F750 HydrophobicContact CB-CE1 4.11Å; L607-F750 HydrophobicContact CB-CE2 4.14Å; L607-F750 HydrophobicContact CB-CZ 3.48Å; L607-F750 VanDerWaalsContact CB-CZ 3.48Å; L607-F750 HydrophobicContact CD1-CE2 4.21Å; L607-F750 HydrophobicContact CD1-CZ 4.39Å; L607-F750 HydrophobicContact CG-CZ 4.47Å |
| 608 | R | 93.7 | Very high | 91.4 | Very high | 9 Ų | 9 | 26.1 Ų | 26.1 | 3% | 0.034 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.8 | -29.2 | 173.3 | -80.3 | -84.1 | 156.5 | -165.7 | -3.7 | 113.1 | L540 Y604 M606 R612 D747 D749 F750 Y1245 | L540-R608 HydrophobicContact CD1-CB 4.21Å; L540-R608 HydrophobicContact CD1-CG 3.92Å; Y604-R608 HydrophobicContact CD2-CG 4.37Å; Y604-R608 HydrophobicContact CE1-CG 4.42Å; Y604-R608 HydrophobicContact CE2-CG 3.95Å; Y604-R608 WeakPolarHBondContact O-CB 3.2Å; Y604-R608 PolarHBondContact O-N 3.27Å; M606-R608 VanDerWaalsContact C-N 3.35Å; M606-R608 PolarHBondContact O-N 2.73Å; R608-R612 PolarHBondContact O-N 3.08Å; R608-R612 VanDerWaalsContact O-N 3.1Å; R608-D747 IonicContact CZ-OD1 3.64Å; R608-D747 IonicContact CZ-OD2 3.93Å; R608-D747 IonicContact NE-OD2 3.84Å; R608-D747 PolarHBondContact NE-OD2 3.34Å; R608-D747 IonicContact NH2-OD1 3.58Å; R608-D747 PolarHBondContact NH2-OD1 2.95Å; R608-D747 IonicContact NH2-OD2 2.88Å; R608-D747 PolarHBondContact NH2-OD2 2.95Å; R608-D749 IonicContact CZ-OD2 2.67Å; R608-D749 IonicContact NH1-OD2 3.61Å; R608-D749 PolarHBondContact NH1-OD2 2.72Å; R608-D749 IonicContact NH2-OD2 2.72Å; R608-D749 PolarHBondContact NH2-OD2 3.06Å; R608-F750 HydrophobicContact CG-CZ 4.24Å; R608-Y1245 VanDerWaalsContact NH1-CD1 3.28Å; R608-Y1245 VanDerWaalsContact NH1-CE1 3.26Å |
| 609 | A | 92.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -71.5 | -32.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | M544 F546 L605 M606 L607 R612 Q613 | M544-A609 WeakPolarHBondContact O-CB 3.46Å; F546-A609 HydrophobicContact CE1-CB 4.12Å; L605-A609 WeakPolarHBondContact O-CB 3.43Å; L605-A609 PolarHBondContact O-N 3.41Å; M606-A609 WeakPolarHBondContact O-CA 3.38Å; M606-A609 WeakPolarHBondContact O-CB 3.11Å; M606-A609 PolarHBondContact O-N 3.02Å; L607-A609 PolarHBondContact O-N 3.37Å; A609-R612 VanDerWaalsContact CA-CZ 3.48Å; A609-Q613 WeakPolarHBondContact O-CB 3.46Å; A609-Q613 VanDerWaalsContact O-CG 3.28Å; A609-Q613 WeakPolarHBondContact O-CG 3.28Å; A609-Q613 PolarHBondContact O-N 3.49Å |
| 610 | I | 92.6 | Very high | 90.3 | Very high | 16 Ų | 16 | 31.1 Ų | 31.1 | 8% | 0.082 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.2 | -45.3 | 173.5 | -68.6 | 173.7 | 0 | 0 | 0 | 110.2 | F546 M606 L607 Q613 C614 H666 L667 L670 | F546-I610 HydrophobicContact CZ-CG1 4.35Å; M606-I610 PolarHBondContact O-N 2.91Å; L607-I610 WeakPolarHBondContact O-CB 3.47Å; L607-I610 PolarHBondContact O-N 3.11Å; L607-I610 VanDerWaalsContact O-N 3.07Å; I610-Q613 PolarHBondContact O-N 2.99Å; I610-C614 PolarHBondContact O-N 3.31Å; I610-C614 PolarHBondContact O-SG 3.04Å; I610-H666 HydrophobicContact CD1-CB 4.34Å; I610-H666 HydrophobicContact CG2-CB 3.5Å; I610-H666 VanDerWaalsContact CG2-CB 3.5Å; I610-L667 HydrophobicContact CB-CD2 4.09Å; I610-L667 HydrophobicContact CG2-CD2 3.98Å; I610-L667 HydrophobicContact CG2-CG 4.14Å; I610-L670 HydrophobicContact CD1-CB 3.83Å; I610-L670 HydrophobicContact CD1-CD2 3.58Å; I610-L670 HydrophobicContact CD1-CG 4.32Å |
| 611 | C | 90.8 | Very high | 89.7 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.02 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.2 | -54.3 | 173.5 | -67.2 | 0 | 0 | 0 | 0 | 111.6 | L607 Q613 C614 D615 | L607-C611 PolarHBondContact O-N 2.67Å; C611-Q613 PolarHBondContact O-N 2.76Å; C611-Q613 VanDerWaalsContact O-N 3.12Å; C611-C614 PolarHBondContact O-N 2.98Å; C611-D615 VanDerWaalsContact O-CG 3.24Å; C611-D615 PolarHBondContact O-N 3.07Å; C611-D615 VanDerWaalsContact O-OD2 3.09Å |
| 612 | R | 89.8 | Confident | 89 | Confident | 51 Ų | 51 | 36.7 Ų | 36.7 | 19% | 0.192 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -51.2 | -37 | 175.4 | -83 | -176 | -100.8 | 116.3 | 5.1 | 113.5 | D538 M544 L605 R608 A609 R616 | D538-R612 HydrophobicContact CB-CG 4Å; D538-R612 WeakPolarHBondContact OD2-CD 3.39Å; D538-R612 IonicContact OD2-CZ 3.95Å; D538-R612 IonicContact OD2-NE 3.29Å; D538-R612 PolarHBondContact OD2-NE 3.24Å; D538-R612 IonicContact OD2-NH2 3.67Å; M544-R612 PolarHBondContact O-NH1 3.41Å; L605-R612 PolarHBondContact O-NH2 2.87Å; L605-R612 VanDerWaalsContact O-NH2 3.13Å; R608-R612 PolarHBondContact O-N 3.08Å; R608-R612 VanDerWaalsContact O-N 3.1Å; A609-R612 VanDerWaalsContact CA-CZ 3.48Å; R612-R616 WeakPolarHBondContact O-CB 3.39Å; R612-R616 PolarHBondContact O-N 2.77Å |
| 613 | Q | 88 | Confident | 88.4 | Confident | 70 Ų | 70 | 42.8 Ų | 42.8 | 33% | 0.327 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -71.3 | -45.5 | 176.5 | -75.1 | 177.7 | 37 | 0 | 0 | 111.5 | A609 I610 C611 R616 W617 | A609-Q613 WeakPolarHBondContact O-CB 3.46Å; A609-Q613 VanDerWaalsContact O-CG 3.28Å; A609-Q613 WeakPolarHBondContact O-CG 3.28Å; A609-Q613 PolarHBondContact O-N 3.49Å; I610-Q613 PolarHBondContact O-N 2.99Å; C611-Q613 PolarHBondContact O-N 2.76Å; C611-Q613 VanDerWaalsContact O-N 3.12Å; Q613-R616 WeakPolarHBondContact O-CB 3.08Å; Q613-R616 PolarHBondContact O-N 2.71Å; Q613-W617 PolarHBondContact O-N 3.48Å |
| 614 | C | 88 | Confident | 87.6 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.02 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 178.8 | -61.2 | 0 | 0 | 0 | 0 | 111.8 | I610 C611 R616 W617 E618 R663 | I610-C614 PolarHBondContact O-N 3.31Å; I610-C614 PolarHBondContact O-SG 3.04Å; C611-C614 PolarHBondContact O-N 2.98Å; C614-R616 PolarHBondContact O-N 2.83Å; C614-W617 PolarHBondContact O-N 3.4Å; C614-E618 PolarHBondContact O-N 3.39Å; C614-R663 HydrophobicContact CB-CB 4.28Å; C614-R663 HydrophobicContact CB-CG 4.26Å |
| 615 | D | 85.9 | Confident | 86.6 | Confident | 44 Ų | 44 | 51 Ų | 51 | 24% | 0.235 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.1 | -35.9 | 175.8 | -54.4 | -38.3 | 0 | 0 | 0 | 111.9 | C611 T619 R663 | C611-D615 VanDerWaalsContact O-CG 3.24Å; C611-D615 PolarHBondContact O-N 3.07Å; C611-D615 VanDerWaalsContact O-OD2 3.09Å; D615-T619 VanDerWaalsContact O-CB 3.26Å; D615-T619 WeakPolarHBondContact O-CB 3.28Å; D615-T619 PolarHBondContact O-N 3.49Å; D615-T619 PolarHBondContact O-OG1 2.76Å; D615-R663 IonicContact OD1-CZ 3.71Å; D615-R663 IonicContact OD1-NH1 3.45Å; D615-R663 PolarHBondContact OD1-NH1 2.86Å; D615-R663 IonicContact OD1-NH2 3.2Å; D615-R663 PolarHBondContact OD1-NH2 2.58Å |
| 616 | R | 86.1 | Confident | 85.7 | Confident | 182 Ų | 182 | 53.6 Ų | 53.6 | 69% | 0.687 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -73.8 | -38 | 177.5 | -179.6 | 176.3 | 173.5 | 175.2 | -2.5 | 112.5 | R612 Q613 C614 I620 | R612-R616 WeakPolarHBondContact O-CB 3.39Å; R612-R616 PolarHBondContact O-N 2.77Å; Q613-R616 WeakPolarHBondContact O-CB 3.08Å; Q613-R616 PolarHBondContact O-N 2.71Å; C614-R616 PolarHBondContact O-N 2.83Å; R616-I620 HydrophobicContact CG-CD1 4.07Å; R616-I620 WeakPolarHBondContact O-CD1 3.45Å; R616-I620 VanDerWaalsContact O-CG1 3.23Å; R616-I620 WeakPolarHBondContact O-CG1 3.29Å; R616-I620 PolarHBondContact O-N 2.88Å; R616-I620 VanDerWaalsContact O-N 3.08Å |
| 617 | W | 83.4 | Confident | 84.8 | Confident | 111 Ų | 111 | 60.7 Ų | 60.7 | 42% | 0.42 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.8 | -49.8 | 174.7 | -77.5 | 109.3 | 0 | 0 | 0 | 111.1 | Q613 C614 T619 I620 E621 | Q613-W617 PolarHBondContact O-N 3.48Å; C614-W617 PolarHBondContact O-N 3.4Å; W617-T619 VanDerWaalsContact C-N 3.32Å; W617-T619 PolarHBondContact O-N 2.9Å; W617-I620 WeakPolarHBondContact O-CA 3.33Å; W617-I620 WeakPolarHBondContact O-CB 3.48Å; W617-I620 PolarHBondContact O-N 2.86Å; W617-E621 PolarHBondContact O-N 2.96Å |
| 618 | E | 81.6 | Confident | 83.5 | Confident | 54 Ų | 54 | 66 Ų | 66 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -53.9 | -47.3 | 174.1 | -173.7 | -179.5 | 164.4 | 0 | 0 | 111.6 | C614 I620 E621 L622 Q659 R663 | C614-E618 PolarHBondContact O-N 3.39Å; E618-I620 VanDerWaalsContact C-N 3.26Å; E618-I620 PolarHBondContact O-N 3.48Å; E618-E621 PolarHBondContact O-N 2.85Å; E618-L622 HydrophobicContact CG-CD1 4.12Å; E618-L622 WeakPolarHBondContact O-CB 3.25Å; E618-L622 WeakPolarHBondContact O-CG 3.46Å; E618-L622 PolarHBondContact O-N 3.46Å; E618-Q659 HydrophobicContact CB-CG 4.02Å; E618-Q659 HydrophobicContact CG-CG 4.25Å; E618-R663 IonicContact OE2-NH2 2.76Å |
| 619 | T | 80.5 | Confident | 81.9 | Confident | 44 Ų | 44 | 69 Ų | 69 | 27% | 0.27 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61 | -29.6 | 175 | -64.4 | 0 | 0 | 0 | 0 | 113.5 | D615 W617 K623 | D615-T619 VanDerWaalsContact O-CB 3.26Å; D615-T619 WeakPolarHBondContact O-CB 3.28Å; D615-T619 PolarHBondContact O-N 3.49Å; D615-T619 PolarHBondContact O-OG1 2.76Å; W617-T619 VanDerWaalsContact C-N 3.32Å; W617-T619 PolarHBondContact O-N 2.9Å; T619-K623 HydrophobicContact CG2-CD 4.31Å; T619-K623 VanDerWaalsContact CG2-NZ 3.32Å; T619-K623 WeakPolarHBondContact O-CB 3.16Å; T619-K623 VanDerWaalsContact O-CD 3.22Å; T619-K623 WeakPolarHBondContact O-CD 3.31Å; T619-K623 WeakPolarHBondContact O-CG 3.25Å |
| 620 | I | 83.7 | Confident | 80.2 | Confident | 63 Ų | 63 | 75.7 Ų | 75.7 | 32% | 0.323 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -77.9 | -44.6 | 177.2 | -73.7 | 163.1 | 0 | 0 | 0 | 110.4 | R616 W617 E618 K623 Q624 | R616-I620 HydrophobicContact CG-CD1 4.07Å; R616-I620 WeakPolarHBondContact O-CD1 3.45Å; R616-I620 VanDerWaalsContact O-CG1 3.23Å; R616-I620 WeakPolarHBondContact O-CG1 3.29Å; R616-I620 PolarHBondContact O-N 2.88Å; R616-I620 VanDerWaalsContact O-N 3.08Å; W617-I620 WeakPolarHBondContact O-CA 3.33Å; W617-I620 WeakPolarHBondContact O-CB 3.48Å; W617-I620 PolarHBondContact O-N 2.86Å; E618-I620 VanDerWaalsContact C-N 3.26Å; E618-I620 PolarHBondContact O-N 3.48Å; I620-K623 CarbonylContact O-C 3.56Å; I620-K623 WeakPolarHBondContact O-CB 3.34Å; I620-K623 PolarHBondContact O-N 3.31Å; I620-Q624 WeakPolarHBondContact O-CG 3.45Å; I620-Q624 PolarHBondContact O-N 3.09Å |
| 621 | E | 82.3 | Confident | 78.4 | Confident | 46 Ų | 46 | 84.9 Ų | 84.9 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -69 | -42.4 | -177.4 | -70.3 | 165.2 | -152.2 | 0 | 0 | 111.7 | W617 E618 K623 Q624 L625 L655 Q659 | W617-E621 PolarHBondContact O-N 2.96Å; E618-E621 PolarHBondContact O-N 2.85Å; E621-K623 PolarHBondContact O-N 2.92Å; E621-Q624 WeakPolarHBondContact O-CA 3.44Å; E621-Q624 WeakPolarHBondContact O-CB 3.31Å; E621-Q624 PolarHBondContact O-N 2.93Å; E621-L625 PolarHBondContact O-N 3.05Å; E621-L655 HydrophobicContact CB-CD1 4.11Å; E621-L655 HydrophobicContact CB-CD2 4.1Å; E621-L655 WeakPolarHBondContact OE2-CD1 3.3Å; E621-Q659 PolarHBondContact OE1-NE2 3.18Å; E621-Q659 PolarHBondContact OE2-NE2 3.37Å |
| 622 | L | 78.4 | Confident | 76.5 | Confident | 73 Ų | 73 | 93.1 Ų | 93.1 | 38% | 0.382 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56.8 | -37.2 | 170.1 | -71 | 170.1 | 0 | 0 | 0 | 112.2 | E618 Q624 L625 A626 L655 | E618-L622 HydrophobicContact CG-CD1 4.12Å; E618-L622 WeakPolarHBondContact O-CB 3.25Å; E618-L622 WeakPolarHBondContact O-CG 3.46Å; E618-L622 PolarHBondContact O-N 3.46Å; L622-Q624 VanDerWaalsContact C-N 3.31Å; L622-Q624 PolarHBondContact O-N 3.4Å; L622-L625 PolarHBondContact O-N 3.46Å; L622-A626 WeakPolarHBondContact O-CB 3.25Å; L622-A626 PolarHBondContact O-N 3.46Å; L622-L655 HydrophobicContact CD2-CD2 3.75Å; L622-L655 HydrophobicContact CG-CD2 3.94Å |
| 623 | K | 82 | Confident | 74.2 | Confident | 128 Ų | 128 | 97.4 Ų | 97.4 | 56% | 0.557 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -74.5 | -16 | 174.7 | -74 | 172.1 | -171.6 | 169.2 | 0 | 113.8 | T619 I620 E621 K627 | T619-K623 HydrophobicContact CG2-CD 4.31Å; T619-K623 VanDerWaalsContact CG2-NZ 3.32Å; T619-K623 WeakPolarHBondContact O-CB 3.16Å; T619-K623 VanDerWaalsContact O-CD 3.22Å; T619-K623 WeakPolarHBondContact O-CD 3.31Å; T619-K623 WeakPolarHBondContact O-CG 3.25Å; I620-K623 CarbonylContact O-C 3.56Å; I620-K623 WeakPolarHBondContact O-CB 3.34Å; I620-K623 PolarHBondContact O-N 3.31Å; E621-K623 PolarHBondContact O-N 2.92Å; K623-K627 WeakPolarHBondContact O-CD 3.14Å; K623-K627 VanDerWaalsContact O-CG 3.25Å; K623-K627 WeakPolarHBondContact O-CG 3.25Å |
| 624 | Q | 80.2 | Confident | 72.2 | Confident | 113 Ų | 113 | 101.3 Ų | 101.3 | 53% | 0.528 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -83.8 | -43.7 | 170.2 | -68.1 | 177.2 | 23 | 0 | 0 | 110.5 | I620 E621 L622 A626 K627 N628 | I620-Q624 WeakPolarHBondContact O-CG 3.45Å; I620-Q624 PolarHBondContact O-N 3.09Å; E621-Q624 WeakPolarHBondContact O-CA 3.44Å; E621-Q624 WeakPolarHBondContact O-CB 3.31Å; E621-Q624 PolarHBondContact O-N 2.93Å; L622-Q624 VanDerWaalsContact C-N 3.31Å; L622-Q624 PolarHBondContact O-N 3.4Å; Q624-A626 PolarHBondContact O-N 3.41Å; Q624-K627 PolarHBondContact O-N 2.95Å; Q624-N628 PolarHBondContact O-N 3.46Å; Q624-N628 PolarHBondContact O-ND2 3.21Å |
| 625 | L | 74.2 | Confident | 70.2 | Confident | 60 Ų | 60 | 106.6 Ų | 106.6 | 31% | 0.314 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -57.7 | -48.9 | 174 | -67.2 | -179.8 | 0 | 0 | 0 | 111.9 | E621 L622 K627 N628 S629 L655 | E621-L625 PolarHBondContact O-N 3.05Å; L622-L625 PolarHBondContact O-N 3.46Å; L625-K627 VanDerWaalsContact C-N 3.26Å; L625-K627 PolarHBondContact O-N 3.05Å; L625-N628 WeakPolarHBondContact O-CB 3.32Å; L625-N628 PolarHBondContact O-N 3.48Å; L625-S629 PolarHBondContact O-N 3.41Å; L625-L655 HydrophobicContact CD1-CD2 3.94Å |
| 626 | A | 76 | Confident | 68.1 | Low | 54 Ų | 54 | 112.3 Ų | 112.3 | 45% | 0.446 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62 | -28.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L622 Q624 N628 S629 | L622-A626 WeakPolarHBondContact O-CB 3.25Å; L622-A626 PolarHBondContact O-N 3.46Å; Q624-A626 PolarHBondContact O-N 3.41Å; A626-N628 VanDerWaalsContact C-N 3.25Å; A626-N628 PolarHBondContact O-N 3.49Å; A626-S629 PolarHBondContact O-OG 2.89Å |
| 627 | K | 76 | Confident | 65.8 | Low | 149 Ų | 149 | 112.5 Ų | 112.5 | 65% | 0.648 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -75.3 | -14.7 | 175 | -76.6 | 174.5 | -176.7 | -179.5 | 0 | 113.6 | K623 Q624 L625 | K623-K627 WeakPolarHBondContact O-CD 3.14Å; K623-K627 VanDerWaalsContact O-CG 3.25Å; K623-K627 WeakPolarHBondContact O-CG 3.25Å; Q624-K627 PolarHBondContact O-N 2.95Å; L625-K627 VanDerWaalsContact C-N 3.26Å; L625-K627 PolarHBondContact O-N 3.05Å |
| 628 | N | 67.8 | Low | 63.6 | Low | 113 Ų | 113 | 113.1 Ų | 113.1 | 60% | 0.604 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -94.9 | -19.6 | -178.6 | -68 | -21.5 | 0 | 0 | 0 | 112.9 | Q624 L625 A626 | Q624-N628 PolarHBondContact O-N 3.46Å; Q624-N628 PolarHBondContact O-ND2 3.21Å; L625-N628 WeakPolarHBondContact O-CB 3.32Å; L625-N628 PolarHBondContact O-N 3.48Å; A626-N628 VanDerWaalsContact C-N 3.25Å; A626-N628 PolarHBondContact O-N 3.49Å |
| 629 | S | 60.3 | Low | 61.8 | Low | 70 Ų | 70 | 117.7 Ų | 117.7 | 49% | 0.49 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.2 | -42.2 | 174.9 | 49.4 | 0 | 0 | 0 | 0 | 113 | L625 A626 R631 | L625-S629 PolarHBondContact O-N 3.41Å; A626-S629 PolarHBondContact O-OG 2.89Å; S629-R631 PolarHBondContact O-N 2.92Å |
| 630 | D | 56 | Low | 59.7 | Low | 142 Ų | 142 | 125.8 Ų | 125.8 | 76% | 0.759 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 9.1 | -163 | -61.7 | 3.1 | 0 | 0 | 0 | 114.2 | ||
| 631 | R | 56.2 | Low | 57.4 | Low | 210 Ų | 210 | 126.6 Ų | 126.6 | 79% | 0.792 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 18.9 | -171.9 | -69.5 | -176.4 | 166.8 | -169.5 | -4.7 | 114.8 | S629 | S629-R631 PolarHBondContact O-N 2.92Š|
| 632 | K | 49.2 | Very low | 55.2 | Low | 176 Ų | 176 | 133.8 Ų | 133.8 | 77% | 0.765 | 70% | 0.697 | S | S | * | * | trans | -141.1 | 47.9 | -174.5 | -74.6 | -167.6 | 174.7 | -179.2 | 0 | 116.2 | ||||
| 633 | V | 43 | Very low | 53.2 | Low | 141 Ų | 141 | 137 Ų | 137 | 86% | 0.855 | 71% | 0.714 | S | S | * | * | trans | -140.5 | 102.8 | 160.9 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 634 | D | 44.7 | Very low | 51.2 | Low | 152 Ų | 152 | 140.6 Ų | 140.6 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | trans | -163.6 | 154.3 | 151.7 | -124.5 | -34 | 0 | 0 | 0 | 112.3 | ||||
| 635 | T | 46.9 | Very low | 49 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 69% | 0.693 | 74% | 0.74 | S | S | * | * | trans | 56.7 | 93 | 175.2 | 63.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 636 | N | 41.6 | Very low | 47.4 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | 172.2 | 167.1 | 101.6 | -89.7 | -49.2 | 0 | 0 | 0 | 114.1 | |||||
| 637 | K | 38.8 | Very low | 45.8 | Very low | 185 Ų | 185 | 149.9 Ų | 149.9 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -95.4 | 150 | -165.2 | -69.5 | 177.3 | 178.3 | 173.1 | 0 | 114.7 | ||||
| 638 | T | 37 | Very low | 44.5 | Very low | 124 Ų | 124 | 149 Ų | 149 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | trans | 53.7 | 102.1 | 148.5 | 51 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 639 | T | 43.2 | Very low | 43.5 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 92% | 0.92 | 78% | 0.775 | S | S | * | * | -167.8 | 177 | 113.4 | 18 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 640 | K | 35.7 | Very low | 43.2 | Very low | 215 Ų | 215 | 149.2 Ų | 149.2 | 94% | 0.935 | 78% | 0.778 | S | S | * | * | trans | -78.3 | 129.5 | -172.5 | -59.4 | 164.7 | -178.3 | 170.1 | 0 | 111.4 | ||||
| 641 | G | 36.8 | Very low | 43.5 | Very low | 80 Ų | 80 | 146.8 Ų | 146.8 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | -163.8 | 146.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 642 | K | 36.3 | Very low | 43.9 | Very low | 197 Ų | 197 | 139.9 Ų | 139.9 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | trans | -107.3 | 156 | 179.2 | -86.3 | -170.1 | 175.6 | -173 | 0 | 111 | ||||
| 643 | N | 36.5 | Very low | 45 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 75% | 0.754 | 72% | 0.717 | S | S | * | * | trans | 64.5 | 101.1 | 158.7 | -55.6 | -5 | 0 | 0 | 0 | 118.2 | ||||
| 644 | H | 38.4 | Very low | 46.5 | Very low | 203 Ų | 203 | 131.7 Ų | 131.7 | 94% | 0.94 | 71% | 0.705 | S | S | * | * | trans | -169.9 | 108.9 | 140.2 | -93.1 | -51.6 | 0 | 0 | 0 | 110.7 | ||||
| 645 | S | 34.9 | Very low | 48 | Very low | 97 Ų | 97 | 125.9 Ų | 125.9 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | trans | -164.4 | 80.5 | 171.2 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 646 | L | 39.6 | Very low | 49.5 | Very low | 135 Ų | 135 | 121.8 Ų | 121.8 | 71% | 0.707 | 65% | 0.651 | S | S | * | * | trans | -156.3 | 16.9 | -177.6 | -116.8 | 144.9 | 0 | 0 | 0 | 115.6 | T1281 | L646-T1281 HydrophobicContact CD1-CG2 4.28Å; L646-T1281 HydrophobicContact CG-CG2 4.49Å | ||
| 647 | K | 44 | Very low | 51.3 | Low | 190 Ų | 190 | 115.2 Ų | 115.2 | 83% | 0.826 | 62% | 0.615 | S | S | * | * | trans | -102.7 | 5.8 | -174.1 | -85.8 | -162.6 | 172.3 | -169.2 | 0 | 116.6 | ||||
| 648 | N | 46.8 | Very low | 53.3 | Low | 129 Ų | 129 | 110.4 Ų | 110.4 | 69% | 0.69 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -99.6 | -13.1 | -172.4 | -72.5 | 13.7 | 0 | 0 | 0 | 115.4 | ||
| 649 | N | 48.8 | Very low | 55.6 | Low | 98 Ų | 98 | 104.8 Ų | 104.8 | 52% | 0.524 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -85 | -24.4 | -170.2 | -71.8 | -0.6 | 0 | 0 | 0 | 114.2 | N651 G1279 | N649-N651 PolarHBondContact O-N 2.64Å; N649-G1279 PolarHBondContact ND2-O 2.85Å |
| 650 | T | 52 | Low | 57.5 | Low | 91 Ų | 91 | 99.3 Ų | 99.3 | 56% | 0.558 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.4 | -46 | -174.9 | 42.2 | 0 | 0 | 0 | 0 | 113.3 | N652 G653 | T650-N652 PolarHBondContact O-N 3.36Å; T650-N652 VanDerWaalsContact O-N 3.16Å; T650-G653 PolarHBondContact O-N 3Å |
| 651 | N | 62.4 | Low | 59.9 | Low | 90 Ų | 90 | 92.2 Ų | 92.2 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.2 | -21.9 | -167.4 | -58 | 24.1 | 0 | 0 | 0 | 113.2 | N649 L655 | N649-N651 PolarHBondContact O-N 2.64Å; N651-L655 WeakPolarHBondContact O-CB 3.21Å; N651-L655 PolarHBondContact O-N 3.05Å |
| 652 | N | 66.5 | Low | 62.3 | Low | 65 Ų | 65 | 92 Ų | 92 | 35% | 0.348 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -78.5 | -34.1 | -179.6 | -67 | -17.1 | 0 | 0 | 0 | 112.2 | T650 A656 | T650-N652 PolarHBondContact O-N 3.36Å; T650-N652 VanDerWaalsContact O-N 3.16Å; N652-A656 PolarHBondContact O-N 3.17Å; N652-A656 VanDerWaalsContact O-N 3.14Å |
| 653 | G | 70.8 | Confident | 64.9 | Low | 21 Ų | 21 | 84 Ų | 84 | 22% | 0.216 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -69.9 | -43 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | T650 L655 A656 L657 | T650-G653 PolarHBondContact O-N 3Å; G653-L655 VanDerWaalsContact C-N 3.34Å; G653-L655 PolarHBondContact O-N 2.95Å; G653-A656 PolarHBondContact O-N 3.45Å; G653-L657 PolarHBondContact O-N 3.05Å |
| 654 | E | 75.7 | Confident | 67.5 | Low | 125 Ų | 125 | 77.5 Ų | 77.5 | 58% | 0.584 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60.6 | -42.1 | 174.4 | -168.6 | -171.1 | 162.6 | 0 | 0 | 111.9 | L657 N658 | E654-L657 PolarHBondContact O-N 3.07Å; E654-N658 WeakPolarHBondContact O-CB 3.41Å; E654-N658 PolarHBondContact O-N 2.85Å; E654-N658 PolarHBondContact O-ND2 3.46Å |
| 655 | L | 76 | Confident | 70 | Confident | 30 Ų | 30 | 75.5 Ų | 75.5 | 16% | 0.157 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61 | -47.7 | 176.5 | -163.2 | 80.4 | 0 | 0 | 0 | 112 | E621 L622 L625 N651 G653 L657 N658 Q659 | E621-L655 HydrophobicContact CB-CD1 4.11Å; E621-L655 HydrophobicContact CB-CD2 4.1Å; E621-L655 WeakPolarHBondContact OE2-CD1 3.3Å; L622-L655 HydrophobicContact CD2-CD2 3.75Å; L622-L655 HydrophobicContact CG-CD2 3.94Å; L625-L655 HydrophobicContact CD1-CD2 3.94Å; N651-L655 WeakPolarHBondContact O-CB 3.21Å; N651-L655 PolarHBondContact O-N 3.05Å; G653-L655 VanDerWaalsContact C-N 3.34Å; G653-L655 PolarHBondContact O-N 2.95Å; L655-L657 PolarHBondContact O-N 3.37Å; L655-N658 PolarHBondContact O-N 3.26Å; L655-Q659 WeakPolarHBondContact O-CG 3.44Å; L655-Q659 PolarHBondContact O-N 2.91Å |
| 656 | A | 77.4 | Confident | 72.7 | Confident | 26 Ų | 26 | 74.1 Ų | 74.1 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N652 G653 Q659 L660 | N652-A656 PolarHBondContact O-N 3.17Å; N652-A656 VanDerWaalsContact O-N 3.14Å; G653-A656 PolarHBondContact O-N 3.45Å; A656-Q659 PolarHBondContact O-N 3.23Å; A656-L660 WeakPolarHBondContact O-CB 3.33Å; A656-L660 PolarHBondContact O-N 3.32Å |
| 657 | L | 79.6 | Confident | 75.3 | Confident | 27 Ų | 27 | 67.7 Ų | 67.7 | 14% | 0.141 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 175.6 | 179.5 | 57 | 0 | 0 | 0 | 112.2 | G653 E654 L655 L660 K661 V758 L761 | G653-L657 PolarHBondContact O-N 3.05Å; E654-L657 PolarHBondContact O-N 3.07Å; L655-L657 PolarHBondContact O-N 3.37Å; L657-L660 PolarHBondContact O-N 3.03Å; L657-K661 HydrophobicContact CD1-CD 4.43Å; L657-K661 HydrophobicContact CD1-CG 4.35Å; L657-K661 WeakPolarHBondContact O-CG 3.43Å; L657-K661 PolarHBondContact O-N 3.26Å; L657-V758 HydrophobicContact CD1-CB 4.31Å; L657-V758 HydrophobicContact CD1-CG1 3.64Å; L657-V758 HydrophobicContact CD1-CG2 3.6Å; L657-V758 HydrophobicContact CD2-CG1 3.94Å; L657-V758 HydrophobicContact CG-CG1 4.45Å; L657-L761 HydrophobicContact CB-CD2 4.2Å |
| 658 | N | 81.8 | Confident | 77.7 | Confident | 85 Ų | 85 | 60.1 Ų | 60.1 | 46% | 0.455 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.3 | -37.3 | 178.3 | -77 | -32.2 | 0 | 0 | 0 | 112.2 | E654 L655 R662 | E654-N658 WeakPolarHBondContact O-CB 3.41Å; E654-N658 PolarHBondContact O-N 2.85Å; E654-N658 PolarHBondContact O-ND2 3.46Å; L655-N658 PolarHBondContact O-N 3.26Å; N658-R662 VanDerWaalsContact O-CB 3.31Å; N658-R662 WeakPolarHBondContact O-CB 3.34Å; N658-R662 PolarHBondContact O-N 3Å |
| 659 | Q | 83.7 | Confident | 79.9 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.028 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.4 | -36.2 | 173.4 | -69.9 | -63.2 | -18.3 | 0 | 0 | 112.7 | E618 E621 L655 A656 R662 R663 | E618-Q659 HydrophobicContact CB-CG 4.02Å; E618-Q659 HydrophobicContact CG-CG 4.25Å; E621-Q659 PolarHBondContact OE1-NE2 3.18Å; E621-Q659 PolarHBondContact OE2-NE2 3.37Å; L655-Q659 WeakPolarHBondContact O-CG 3.44Å; L655-Q659 PolarHBondContact O-N 2.91Å; A656-Q659 PolarHBondContact O-N 3.23Å; Q659-R662 PolarHBondContact O-N 3.36Å; Q659-R663 WeakPolarHBondContact O-CB 3.5Å; Q659-R663 PolarHBondContact O-N 3.11Å |
| 660 | L | 84.7 | Confident | 82.2 | Confident | 34 Ų | 34 | 52.6 Ų | 52.6 | 18% | 0.178 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.9 | -50.7 | 172.5 | -178.7 | 63.3 | 0 | 0 | 0 | 111.3 | A656 L657 R662 R663 Q664 T753 | A656-L660 WeakPolarHBondContact O-CB 3.33Å; A656-L660 PolarHBondContact O-N 3.32Å; L657-L660 PolarHBondContact O-N 3.03Å; L660-R662 VanDerWaalsContact C-N 3.29Å; L660-R662 PolarHBondContact O-N 2.86Å; L660-R663 WeakPolarHBondContact O-CB 3.44Å; L660-R663 PolarHBondContact O-N 3.38Å; L660-R663 VanDerWaalsContact O-N 3.15Å; L660-Q664 HydrophobicContact CD1-CG 4.49Å; L660-Q664 WeakPolarHBondContact O-CG 3.3Å; L660-Q664 PolarHBondContact O-N 3.27Å; L660-T753 HydrophobicContact CD1-CG2 4.18Å |
| 661 | K | 85.8 | Confident | 84.2 | Confident | 67 Ų | 67 | 48.3 Ų | 48.3 | 29% | 0.291 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.2 | -39.2 | 176 | -73.3 | -174.1 | 170.7 | -164.2 | 0 | 112.1 | L657 R665 S780 N781 | L657-K661 HydrophobicContact CD1-CD 4.43Å; L657-K661 HydrophobicContact CD1-CG 4.35Å; L657-K661 WeakPolarHBondContact O-CG 3.43Å; L657-K661 PolarHBondContact O-N 3.26Å; K661-R665 WeakPolarHBondContact O-CB 3.45Å; K661-R665 PolarHBondContact O-N 3.21Å; K661-S780 PolarHBondContact NZ-OG 3.05Å; K661-N781 VanDerWaalsContact CE-OD1 3.26Å; K661-N781 WeakPolarHBondContact CE-OD1 3.32Å |
| 662 | R | 86.3 | Confident | 85.8 | Confident | 75 Ų | 75 | 46.4 Ų | 46.4 | 28% | 0.283 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.1 | -46.4 | 173.8 | -176.9 | 172.8 | -170.3 | 167.5 | 1.1 | 112.2 | N658 Q659 L660 H666 | N658-R662 VanDerWaalsContact O-CB 3.31Å; N658-R662 WeakPolarHBondContact O-CB 3.34Å; N658-R662 PolarHBondContact O-N 3Å; Q659-R662 PolarHBondContact O-N 3.36Å; L660-R662 VanDerWaalsContact C-N 3.29Å; L660-R662 PolarHBondContact O-N 2.86Å; R662-H666 PolarHBondContact O-CD2 3.03Å; R662-H666 PolarHBondContact O-N 2.59Å; R662-H666 VanDerWaalsContact O-N 3.17Å |
| 663 | R | 90.6 | Very high | 87.1 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 11% | 0.113 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.7 | -51.3 | 178.3 | -168.9 | -172.9 | -59.7 | -113.5 | -2.6 | 111.1 | C614 D615 E618 Q659 L660 R665 H666 L667 T753 | C614-R663 HydrophobicContact CB-CB 4.28Å; C614-R663 HydrophobicContact CB-CG 4.26Å; D615-R663 IonicContact OD1-CZ 3.71Å; D615-R663 IonicContact OD1-NH1 3.45Å; D615-R663 PolarHBondContact OD1-NH1 2.86Å; D615-R663 IonicContact OD1-NH2 3.2Å; D615-R663 PolarHBondContact OD1-NH2 2.58Å; E618-R663 IonicContact OE2-NH2 2.76Å; Q659-R663 WeakPolarHBondContact O-CB 3.5Å; Q659-R663 PolarHBondContact O-N 3.11Å; L660-R663 WeakPolarHBondContact O-CB 3.44Å; L660-R663 PolarHBondContact O-N 3.38Å; L660-R663 VanDerWaalsContact O-N 3.15Å; R663-R665 PolarHBondContact O-N 3.42Å; R663-H666 PolarHBondContact O-N 2.79Å; R663-L667 HydrophobicContact CG-CD1 4.18Å; R663-L667 WeakPolarHBondContact O-CG 3.38Å; R663-L667 PolarHBondContact O-N 3.45Å; R663-T753 HydrophobicContact CB-CG2 4.48Å; R663-T753 WeakPolarHBondContact CD-OG1 3.47Å; R663-T753 HydrophobicContact CG-CG2 4.03Å |
| 664 | Q | 91.2 | Very high | 88.4 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.8 | -52.2 | 176.7 | -73 | 180 | -5.8 | 0 | 0 | 111.8 | L660 H666 L667 L668 T753 F754 T784 | L660-Q664 HydrophobicContact CD1-CG 4.49Å; L660-Q664 WeakPolarHBondContact O-CG 3.3Å; L660-Q664 PolarHBondContact O-N 3.27Å; Q664-H666 PolarHBondContact O-N 3.43Å; Q664-L667 PolarHBondContact O-N 3.32Å; Q664-L668 WeakPolarHBondContact O-CB 3.14Å; Q664-L668 PolarHBondContact O-N 2.87Å; Q664-T753 HydrophobicContact CG-CG2 3.76Å; Q664-T753 PolarHBondContact NE2-O 3.45Å; Q664-F754 HydrophobicContact CB-CE1 3.73Å; Q664-F754 HydrophobicContact CB-CZ 4.03Å; Q664-F754 HydrophobicContact CG-CD1 3.98Å; Q664-F754 HydrophobicContact CG-CE1 3.66Å; Q664-F754 HydrophobicContact CG-CZ 4.1Å; Q664-T784 PolarHBondContact OE1-OG1 3.18Å |
| 665 | R | 91 | Very high | 89.3 | Confident | 161 Ų | 161 | 37.4 Ų | 37.4 | 61% | 0.608 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -58.3 | -43.9 | -179.2 | -178.9 | 177.7 | 61.9 | 179.2 | -3.7 | 113 | K661 R663 S669 | K661-R665 WeakPolarHBondContact O-CB 3.45Å; K661-R665 PolarHBondContact O-N 3.21Å; R663-R665 PolarHBondContact O-N 3.42Å; R665-S669 WeakPolarHBondContact O-CB 3.29Å; R665-S669 PolarHBondContact O-N 2.9Å |
| 666 | H | 92.1 | Very high | 90.2 | Very high | 69 Ų | 69 | 41.4 Ų | 41.4 | 32% | 0.319 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -71.6 | -37.8 | -179.4 | -70.3 | -56.4 | 0 | 0 | 0 | 112.6 | I610 R662 R663 Q664 L670 | I610-H666 HydrophobicContact CD1-CB 4.34Å; I610-H666 HydrophobicContact CG2-CB 3.5Å; I610-H666 VanDerWaalsContact CG2-CB 3.5Å; R662-H666 PolarHBondContact O-CD2 3.03Å; R662-H666 PolarHBondContact O-N 2.59Å; R662-H666 VanDerWaalsContact O-N 3.17Å; R663-H666 PolarHBondContact O-N 2.79Å; Q664-H666 PolarHBondContact O-N 3.43Å; H666-L670 PolarHBondContact O-N 3.23Å; H666-L670 VanDerWaalsContact O-N 3.1Å |
| 667 | L | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66 | -46.1 | 174.9 | -69.5 | 173.3 | 0 | 0 | 0 | 111.8 | L607 I610 R663 Q664 L670 L671 F750 T753 F754 W788 | L607-L667 HydrophobicContact CB-CD2 4.22Å; L607-L667 HydrophobicContact CD2-CD2 3.77Å; I610-L667 HydrophobicContact CB-CD2 4.09Å; I610-L667 HydrophobicContact CG2-CD2 3.98Å; I610-L667 HydrophobicContact CG2-CG 4.14Å; R663-L667 HydrophobicContact CG-CD1 4.18Å; R663-L667 WeakPolarHBondContact O-CG 3.38Å; R663-L667 PolarHBondContact O-N 3.45Å; Q664-L667 PolarHBondContact O-N 3.32Å; L667-L670 PolarHBondContact O-N 2.9Å; L667-L671 PolarHBondContact O-N 2.89Å; L667-F750 HydrophobicContact CD1-CD1 4.22Å; L667-F750 HydrophobicContact CD2-CD1 4.45Å; L667-F750 HydrophobicContact CD2-CE1 4.17Å; L667-T753 HydrophobicContact CD1-CG2 4.14Å; L667-F754 HydrophobicContact CB-CE2 4.26Å; L667-F754 HydrophobicContact CB-CZ 4.27Å; L667-F754 HydrophobicContact CD1-CE2 4.12Å; L667-W788 HydrophobicContact CB-CZ3 4.21Å |
| 668 | L | 94.2 | Very high | 91.8 | Very high | 30 Ų | 30 | 39.5 Ų | 39.5 | 16% | 0.157 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 178.3 | -166.3 | 76.8 | 0 | 0 | 0 | 111.2 | Q664 L670 L671 M672 W788 L791 | Q664-L668 WeakPolarHBondContact O-CB 3.14Å; Q664-L668 PolarHBondContact O-N 2.87Å; L668-L670 PolarHBondContact O-N 2.82Å; L668-L671 PolarHBondContact O-N 3.24Å; L668-M672 WeakPolarHBondContact O-CB 3.42Å; L668-M672 PolarHBondContact O-N 3.09Å; L668-W788 HydrophobicContact CD1-CB 4.44Å; L668-W788 HydrophobicContact CD1-CE3 4.34Å; L668-L791 HydrophobicContact CD1-CD1 3.63Å; L668-L791 HydrophobicContact CD1-CG 4.18Å; L668-L791 HydrophobicContact CG-CD1 4.17Å |
| 669 | S | 93.7 | Very high | 92.3 | Very high | 67 Ų | 67 | 35.9 Ų | 35.9 | 47% | 0.469 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 176.6 | 173.5 | 0 | 0 | 0 | 0 | 112.9 | R665 S673 | R665-S669 WeakPolarHBondContact O-CB 3.29Å; R665-S669 PolarHBondContact O-N 2.9Å; S669-S673 PolarHBondContact O-N 3.5Å; S669-S673 VanDerWaalsContact O-N 3.11Å |
| 670 | L | 95.5 | Very high | 92.7 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.6 | -44.5 | 177 | 178.3 | 57.6 | 0 | 0 | 0 | 111.5 | L551 L555 M606 L607 I610 H666 L667 L668 M672 S673 V674 | L551-L670 HydrophobicContact CD1-CD1 3.86Å; L555-L670 HydrophobicContact CD1-CD1 3.93Å; L555-L670 HydrophobicContact CD2-CD1 4.4Å; M606-L670 HydrophobicContact CB-CD2 3.83Å; M606-L670 HydrophobicContact CE-CD1 4.22Å; L607-L670 HydrophobicContact CB-CD2 4.47Å; L607-L670 HydrophobicContact CD2-CB 4.24Å; L607-L670 HydrophobicContact CD2-CD2 3.79Å; L607-L670 HydrophobicContact CD2-CG 4.11Å; L607-L670 HydrophobicContact CG-CD2 3.83Å; L607-L670 HydrophobicContact CG-CG 4.46Å; I610-L670 HydrophobicContact CD1-CB 3.83Å; I610-L670 HydrophobicContact CD1-CD2 3.58Å; I610-L670 HydrophobicContact CD1-CG 4.32Å; H666-L670 PolarHBondContact O-N 3.23Å; H666-L670 VanDerWaalsContact O-N 3.1Å; L667-L670 PolarHBondContact O-N 2.9Å; L668-L670 PolarHBondContact O-N 2.82Å; L670-M672 VanDerWaalsContact C-N 3.32Å; L670-M672 PolarHBondContact O-N 3.3Å; L670-S673 PolarHBondContact O-N 2.95Å; L670-V674 HydrophobicContact CD1-CG2 4.42Å; L670-V674 WeakPolarHBondContact O-CG2 3.43Å; L670-V674 PolarHBondContact O-N 2.91Å; L670-V674 VanDerWaalsContact O-N 3.1Å |
| 671 | L | 95.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.4 | -37.8 | 179.4 | -175.5 | 54.6 | 0 | 0 | 0 | 111.8 | L667 L668 V674 I675 I744 W788 L791 | L667-L671 PolarHBondContact O-N 2.89Å; L668-L671 PolarHBondContact O-N 3.24Å; L671-V674 WeakPolarHBondContact O-CB 3.46Å; L671-V674 PolarHBondContact O-N 3.46Å; L671-I675 HydrophobicContact CD1-CD1 4.06Å; L671-I675 HydrophobicContact CD1-CG1 4.29Å; L671-I675 HydrophobicContact CG-CD1 3.88Å; L671-I675 WeakPolarHBondContact O-CG1 3.49Å; L671-I675 PolarHBondContact O-N 2.89Å; L671-I744 HydrophobicContact CD1-CD1 3.63Å; L671-I744 HydrophobicContact CD2-CD1 4.38Å; L671-W788 HydrophobicContact CB-CZ3 4.31Å; L671-W788 HydrophobicContact CD2-CE3 3.94Å; L671-W788 HydrophobicContact CD2-CH2 3.98Å; L671-W788 HydrophobicContact CD2-CZ3 3.56Å; L671-L791 HydrophobicContact CB-CD1 3.97Å; L671-L791 HydrophobicContact CD2-CB 3.72Å; L671-L791 HydrophobicContact CD2-CD1 4.03Å; L671-L791 HydrophobicContact CG-CB 4.11Å; L671-L791 HydrophobicContact CG-CD1 3.86Å |
| 672 | M | 94.8 | Very high | 93.4 | Very high | 50 Ų | 50 | 33.6 Ų | 33.6 | 25% | 0.246 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 174 | -165.3 | 65.6 | 146.3 | 0 | 0 | 112.2 | L668 L670 V674 I675 K676 L791 L1643 A1647 | L668-M672 WeakPolarHBondContact O-CB 3.42Å; L668-M672 PolarHBondContact O-N 3.09Å; L670-M672 VanDerWaalsContact C-N 3.32Å; L670-M672 PolarHBondContact O-N 3.3Å; M672-V674 PolarHBondContact O-N 3.33Å; M672-I675 PolarHBondContact O-N 3.33Å; M672-K676 PolarHBondContact O-N 2.78Å; M672-K676 VanDerWaalsContact O-N 3.07Å; M672-L791 HydrophobicContact CB-CD1 4.31Å; M672-L791 HydrophobicContact SD-CD1 4.4Å; M672-L791 HydrophobicContact SD-CD2 3.66Å; M672-L1643 HydrophobicContact CE-CB 4.18Å; M672-L1643 HydrophobicContact CE-CD2 3.64Å; M672-L1643 VanDerWaalsContact CE-O 3.23Å; M672-L1643 WeakPolarHBondContact CE-O 3.46Å; M672-L1643 HydrophobicContact SD-CD2 3.55Å; M672-L1643 VanDerWaalsContact SD-CD2 3.55Å; M672-A1647 HydrophobicContact CE-CB 4.43Å |
| 673 | S | 95.1 | Very high | 93.7 | Very high | 21 Ų | 21 | 33.3 Ų | 33.3 | 15% | 0.147 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.5 | -22.8 | 174.5 | -84.5 | 0 | 0 | 0 | 0 | 113.6 | E552 S669 L670 R677 | E552-S673 WeakPolarHBondContact OE1-CB 3.2Å; E552-S673 PolarHBondContact OE1-OG 3.33Å; S669-S673 PolarHBondContact O-N 3.5Å; S669-S673 VanDerWaalsContact O-N 3.11Å; L670-S673 PolarHBondContact O-N 2.95Å; S673-R677 WeakPolarHBondContact O-CD 3.33Å; S673-R677 WeakPolarHBondContact O-CG 3.44Å; S673-R677 PolarHBondContact O-NH1 3.11Å |
| 674 | V | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -83.1 | -47.7 | 175.3 | 166.1 | 0 | 0 | 0 | 0 | 111.5 | L555 I559 V603 L670 L671 M672 K676 R677 F678 L740 | L555-V674 HydrophobicContact CD1-CG2 4.3Å; L555-V674 HydrophobicContact CD2-CG2 3.93Å; I559-V674 HydrophobicContact CD1-CB 4.28Å; I559-V674 HydrophobicContact CD1-CG1 3.91Å; I559-V674 HydrophobicContact CD1-CG2 4.15Å; V603-V674 HydrophobicContact CG1-CG1 4.29Å; V603-V674 HydrophobicContact CG1-CG2 3.76Å; V603-V674 HydrophobicContact CG2-CG2 4.03Å; L670-V674 HydrophobicContact CD1-CG2 4.42Å; L670-V674 WeakPolarHBondContact O-CG2 3.43Å; L670-V674 PolarHBondContact O-N 2.91Å; L670-V674 VanDerWaalsContact O-N 3.1Å; L671-V674 WeakPolarHBondContact O-CB 3.46Å; L671-V674 PolarHBondContact O-N 3.46Å; M672-V674 PolarHBondContact O-N 3.33Å; V674-K676 VanDerWaalsContact C-N 3.33Å; V674-K676 PolarHBondContact O-N 3.27Å; V674-R677 PolarHBondContact O-N 2.71Å; V674-R677 VanDerWaalsContact O-N 3.1Å; V674-F678 HydrophobicContact CG1-CD2 4.01Å; V674-F678 HydrophobicContact CG1-CE2 3.61Å; V674-F678 PolarHBondContact O-N 3Å; V674-L740 HydrophobicContact CG1-CD2 3.85Å |
| 675 | I | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.6 | -43.4 | 179.2 | -76.3 | 166.9 | 0 | 0 | 0 | 111.1 | L671 M672 R677 F678 H679 L791 Q794 I798 L1643 | L671-I675 HydrophobicContact CD1-CD1 4.06Å; L671-I675 HydrophobicContact CD1-CG1 4.29Å; L671-I675 HydrophobicContact CG-CD1 3.88Å; L671-I675 WeakPolarHBondContact O-CG1 3.49Å; L671-I675 PolarHBondContact O-N 2.89Å; M672-I675 PolarHBondContact O-N 3.33Å; I675-R677 VanDerWaalsContact C-N 3.27Å; I675-R677 PolarHBondContact O-N 3Å; I675-F678 PolarHBondContact O-N 3.29Å; I675-F678 VanDerWaalsContact O-N 3.16Å; I675-H679 PolarHBondContact O-CD2 2.76Å; I675-H679 PolarHBondContact O-N 2.62Å; I675-H679 VanDerWaalsContact O-N 3.16Å; I675-L791 HydrophobicContact CD1-CB 3.68Å; I675-L791 HydrophobicContact CD1-CD1 4.34Å; I675-L791 HydrophobicContact CD1-CD2 3.94Å; I675-L791 HydrophobicContact CD1-CG 4.17Å; I675-L791 WeakPolarHBondContact CD1-O 3.44Å; I675-Q794 HydrophobicContact CG2-CB 4.46Å; I675-I798 HydrophobicContact CB-CD1 4.49Å; I675-I798 HydrophobicContact CG1-CD1 4.48Å; I675-I798 HydrophobicContact CG2-CD1 3.96Å; I675-L1643 HydrophobicContact CG2-CD2 4.3Å |
| 676 | K | 94.5 | Very high | 93.5 | Very high | 114 Ų | 114 | 30.3 Ų | 30.3 | 50% | 0.496 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -52.3 | -44.8 | 173.7 | -175.8 | -175.2 | 172.1 | -173.8 | 0 | 112.3 | M672 V674 F678 H679 D680 | M672-K676 PolarHBondContact O-N 2.78Å; M672-K676 VanDerWaalsContact O-N 3.07Å; V674-K676 VanDerWaalsContact C-N 3.33Å; V674-K676 PolarHBondContact O-N 3.27Å; K676-F678 PolarHBondContact O-N 2.89Å; K676-H679 CarbonylContact O-C 3.51Å; K676-H679 WeakPolarHBondContact O-CB 3.5Å; K676-H679 PolarHBondContact O-N 3.03Å; K676-H679 VanDerWaalsContact O-N 3.1Å; K676-D680 PolarHBondContact O-N 3.14Å |
| 677 | R | 95.6 | Very high | 93.3 | Very high | 9 Ų | 9 | 29.8 Ų | 29.8 | 3% | 0.034 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71.2 | -28.6 | -177.3 | -73.2 | 171.4 | 167.6 | 82.7 | 10.6 | 113.6 | E552 D556 I559 S673 V674 I675 D680 F681 | E552-R677 PolarHBondContact O-NH2 3.07Å; E552-R677 VanDerWaalsContact O-NH2 3.16Å; E552-R677 IonicContact OE1-NH1 2.88Å; E552-R677 IonicContact OE2-CZ 2.9Å; E552-R677 IonicContact OE2-NH1 2.73Å; E552-R677 PolarHBondContact OE2-NH1 3.37Å; E552-R677 IonicContact OE2-NH2 3.1Å; E552-R677 PolarHBondContact OE2-NH2 2.84Å; D556-R677 VanDerWaalsContact CG-NH2 3.27Å; D556-R677 IonicContact OD1-CZ 3.21Å; D556-R677 VanDerWaalsContact OD1-CZ 3.24Å; D556-R677 IonicContact OD1-NE 3.33Å; D556-R677 PolarHBondContact OD1-NE 2.91Å; D556-R677 IonicContact OD1-NH2 2.82Å; D556-R677 PolarHBondContact OD1-NH2 3.06Å; D556-R677 IonicContact OD2-NH2 3.52Å; D556-R677 PolarHBondContact OD2-NH2 3.14Å; D556-R677 VanDerWaalsContact OD2-NH2 3.13Å; I559-R677 HydrophobicContact CB-CB 4.28Å; I559-R677 HydrophobicContact CD1-CB 4.1Å; I559-R677 HydrophobicContact CG2-CB 4.04Å; S673-R677 WeakPolarHBondContact O-CD 3.33Å; S673-R677 WeakPolarHBondContact O-CG 3.44Å; S673-R677 PolarHBondContact O-NH1 3.11Å; V674-R677 PolarHBondContact O-N 2.71Å; V674-R677 VanDerWaalsContact O-N 3.1Å; I675-R677 VanDerWaalsContact C-N 3.27Å; I675-R677 PolarHBondContact O-N 3Å; R677-D680 PolarHBondContact O-N 3.08Å; R677-F681 WeakPolarHBondContact O-CB 3.45Å; R677-F681 PolarHBondContact O-N 3.41Å |
| 678 | F | 95 | Very high | 92.9 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 2% | 0.022 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68 | -36.2 | 168.6 | -74 | -57.4 | 0 | 0 | 0 | 111.8 | I559 L563 V674 I675 K676 F681 E682 W733 A737 L740 L795 I798 | I559-F678 HydrophobicContact CG2-CD1 4.05Å; I559-F678 HydrophobicContact CG2-CE1 4Å; L563-F678 HydrophobicContact CD1-CD1 4.42Å; L563-F678 HydrophobicContact CD1-CE1 4.07Å; V674-F678 HydrophobicContact CG1-CD2 4.01Å; V674-F678 HydrophobicContact CG1-CE2 3.61Å; V674-F678 PolarHBondContact O-N 3Å; I675-F678 PolarHBondContact O-N 3.29Å; I675-F678 VanDerWaalsContact O-N 3.16Å; K676-F678 PolarHBondContact O-N 2.89Å; F678-F681 WeakPolarHBondContact O-CB 3.46Å; F678-F681 PolarHBondContact O-N 2.89Å; F678-E682 PolarHBondContact O-N 3.13Å; F678-W733 AromaticContact CD1-CD1 3.44Å; F678-W733 VanDerWaalsContact CD1-CD1 3.44Å; F678-W733 AromaticContact CD1-NE1 3.45Å; F678-W733 AromaticContact CE1-CD1 3.76Å; F678-A737 HydrophobicContact CE1-CB 4.33Å; F678-A737 HydrophobicContact CZ-CB 4.3Å; F678-L740 HydrophobicContact CE2-CD2 4.1Å; F678-L795 HydrophobicContact CD2-CD1 4.19Å; F678-L795 HydrophobicContact CE2-CD1 4.13Å; F678-I798 HydrophobicContact CB-CD1 3.88Å; F678-I798 HydrophobicContact CB-CG1 4.44Å; F678-I798 HydrophobicContact CB-CG2 3.9Å; F678-I798 HydrophobicContact CG-CG2 4.18Å |
| 679 | H | 93.5 | Very high | 92.5 | Very high | 9 Ų | 9 | 30 Ų | 30 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.6 | -36.5 | 171 | -66.3 | -56 | 0 | 0 | 0 | 113 | I675 K676 F681 E682 L683 | I675-H679 PolarHBondContact O-CD2 2.76Å; I675-H679 PolarHBondContact O-N 2.62Å; I675-H679 VanDerWaalsContact O-N 3.16Å; K676-H679 CarbonylContact O-C 3.51Å; K676-H679 WeakPolarHBondContact O-CB 3.5Å; K676-H679 PolarHBondContact O-N 3.03Å; K676-H679 VanDerWaalsContact O-N 3.1Å; H679-F681 PolarHBondContact O-N 3.48Å; H679-E682 IonicContact CE1-OE2 3.92Å; H679-E682 IonicContact CG-OE2 3.37Å; H679-E682 IonicContact ND1-OE2 3.19Å; H679-E682 PolarHBondContact ND1-OE2 3.05Å; H679-E682 WeakPolarHBondContact O-CB 3.18Å; H679-E682 PolarHBondContact O-N 3.45Å; H679-L683 WeakPolarHBondContact O-CG 3.25Å; H679-L683 PolarHBondContact O-N 2.9Å |
| 680 | D | 91.5 | Very high | 92.1 | Very high | 54 Ų | 54 | 33.3 Ų | 33.3 | 29% | 0.289 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.4 | -21.5 | 171.6 | -64.3 | -36.6 | 0 | 0 | 0 | 112.3 | K676 R677 | K676-D680 PolarHBondContact O-N 3.14Å; R677-D680 PolarHBondContact O-N 3.08Å |
| 681 | F | 92.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -85.7 | -40.4 | 170.3 | -174.2 | -97.6 | 0 | 0 | 0 | 112.7 | L563 K564 R677 F678 H679 L683 Y684 V685 W733 | L563-F681 VanDerWaalsContact C-CE2 3.47Å; L563-F681 HydrophobicContact CB-CD2 3.86Å; L563-F681 HydrophobicContact CB-CE1 4.48Å; L563-F681 HydrophobicContact CB-CE2 3.52Å; L563-F681 HydrophobicContact CB-CG 4.48Å; L563-F681 HydrophobicContact CB-CZ 3.86Å; L563-F681 WeakPolarHBondContact O-CE2 3.41Å; K564-F681 HydrophobicContact CG-CD2 3.8Å; K564-F681 HydrophobicContact CG-CE2 3.7Å; R677-F681 WeakPolarHBondContact O-CB 3.45Å; R677-F681 PolarHBondContact O-N 3.41Å; F678-F681 WeakPolarHBondContact O-CB 3.46Å; F678-F681 PolarHBondContact O-N 2.89Å; H679-F681 PolarHBondContact O-N 3.48Å; F681-L683 VanDerWaalsContact C-N 3.31Å; F681-L683 PolarHBondContact O-N 3.04Å; F681-Y684 HydrophobicContact CD2-CD1 4.16Å; F681-Y684 AromaticContact CE2-CD1 3.89Å; F681-Y684 HydrophobicContact CE2-CD1 3.89Å; F681-Y684 HydrophobicContact CE2-CE1 4.2Å; F681-Y684 HydrophobicContact CZ-CD1 4.5Å; F681-Y684 CarbonylContact O-C 3.58Å; F681-Y684 WeakPolarHBondContact O-CA 3.31Å; F681-Y684 WeakPolarHBondContact O-CB 3.4Å; F681-Y684 PolarHBondContact O-N 2.92Å; F681-V685 HydrophobicContact CD1-CG2 3.97Å; F681-V685 HydrophobicContact CE1-CG2 3.52Å; F681-V685 HydrophobicContact CZ-CG2 3.92Å; F681-V685 WeakPolarHBondContact O-CG2 3.41Å; F681-V685 PolarHBondContact O-N 3.38Å; F681-W733 HydrophobicContact CD1-CB 4Å; F681-W733 AromaticContact CD1-CD2 3.57Å; F681-W733 HydrophobicContact CD1-CD2 3.57Å; F681-W733 AromaticContact CD1-CE3 3.74Å; F681-W733 HydrophobicContact CD1-CE3 3.74Å; F681-W733 AromaticContact CD1-CG 3.71Å; F681-W733 HydrophobicContact CD1-CG 3.71Å; F681-W733 HydrophobicContact CD1-CZ3 4.42Å; F681-W733 HydrophobicContact CE1-CB 3.55Å; F681-W733 AromaticContact CE1-CD2 3.73Å; F681-W733 HydrophobicContact CE1-CD2 3.73Å; F681-W733 AromaticContact CE1-CE3 3.63Å; F681-W733 HydrophobicContact CE1-CE3 3.63Å; F681-W733 AromaticContact CE1-CG 3.73Å; F681-W733 HydrophobicContact CE1-CG 3.73Å; F681-W733 HydrophobicContact CZ-CB 4.41Å |
| 682 | E | 92.9 | Very high | 90.3 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.023 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -53.3 | -46.5 | 172 | -178.1 | -176.3 | 174.8 | 0 | 0 | 111.4 | F678 H679 Y684 V685 Y686 W733 T801 Y805 R1639 | F678-E682 PolarHBondContact O-N 3.13Å; H679-E682 IonicContact CE1-OE2 3.92Å; H679-E682 IonicContact CG-OE2 3.37Å; H679-E682 IonicContact ND1-OE2 3.19Å; H679-E682 PolarHBondContact ND1-OE2 3.05Å; H679-E682 WeakPolarHBondContact O-CB 3.18Å; H679-E682 PolarHBondContact O-N 3.45Å; E682-Y684 VanDerWaalsContact C-N 3.32Å; E682-Y684 PolarHBondContact O-N 3.39Å; E682-V685 PolarHBondContact O-N 2.98Å; E682-Y686 PolarHBondContact O-N 3.37Å; E682-W733 HydrophobicContact CB-CH2 3.81Å; E682-W733 HydrophobicContact CB-CZ2 4.08Å; E682-W733 HydrophobicContact CG-CH2 3.98Å; E682-T801 HydrophobicContact CG-CG2 4.3Å; E682-Y805 HydrophobicContact CG-CE2 4.05Å; E682-R1639 IonicContact OE1-NH1 2.72Å |
| 683 | L | 91.2 | Very high | 88.7 | Confident | 69 Ų | 69 | 45.1 Ų | 45.1 | 36% | 0.361 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.6 | -36.6 | 175.1 | -70.7 | 176.5 | 0 | 0 | 0 | 112.8 | H679 F681 E687 | H679-L683 WeakPolarHBondContact O-CG 3.25Å; H679-L683 PolarHBondContact O-N 2.9Å; F681-L683 VanDerWaalsContact C-N 3.31Å; F681-L683 PolarHBondContact O-N 3.04Å; L683-E687 WeakPolarHBondContact O-CB 3.33Å; L683-E687 PolarHBondContact O-N 3.28Å |
| 684 | Y | 91 | Very high | 87.1 | Confident | 76 Ų | 76 | 47.3 Ų | 47.3 | 30% | 0.298 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.4 | -39.1 | 174.1 | 165.2 | -92.9 | 0 | 0 | 0 | 112.1 | K564 F681 E682 S688 | K564-Y684 HydrophobicContact CB-CE1 4.23Å; K564-Y684 HydrophobicContact CD-CD1 4.14Å; K564-Y684 HydrophobicContact CD-CD2 3.88Å; K564-Y684 HydrophobicContact CD-CE1 4.35Å; K564-Y684 HydrophobicContact CD-CE2 4.09Å; K564-Y684 HydrophobicContact CD-CG 3.9Å; K564-Y684 VanDerWaalsContact CE-CG 3.45Å; K564-Y684 HydrophobicContact CG-CD1 3.74Å; K564-Y684 HydrophobicContact CG-CD2 4.3Å; K564-Y684 HydrophobicContact CG-CE1 3.69Å; K564-Y684 HydrophobicContact CG-CE2 4.24Å; K564-Y684 HydrophobicContact CG-CG 4.05Å; F681-Y684 HydrophobicContact CD2-CD1 4.16Å; F681-Y684 AromaticContact CE2-CD1 3.89Å; F681-Y684 HydrophobicContact CE2-CD1 3.89Å; F681-Y684 HydrophobicContact CE2-CE1 4.2Å; F681-Y684 HydrophobicContact CZ-CD1 4.5Å; F681-Y684 CarbonylContact O-C 3.58Å; F681-Y684 WeakPolarHBondContact O-CA 3.31Å; F681-Y684 WeakPolarHBondContact O-CB 3.4Å; F681-Y684 PolarHBondContact O-N 2.92Å; E682-Y684 VanDerWaalsContact C-N 3.32Å; E682-Y684 PolarHBondContact O-N 3.39Å; Y684-S688 VanDerWaalsContact O-CB 3.27Å; Y684-S688 WeakPolarHBondContact O-CB 3.25Å; Y684-S688 PolarHBondContact O-N 3.15Å; Y684-S688 PolarHBondContact O-OG 3.34Å |
| 685 | V | 90 | Very high | 85 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.3 | -48.1 | 174.6 | 172.7 | 0 | 0 | 0 | 0 | 109.9 | F681 E682 E687 S688 I689 L726 V730 W733 Y805 | F681-V685 HydrophobicContact CD1-CG2 3.97Å; F681-V685 HydrophobicContact CE1-CG2 3.52Å; F681-V685 HydrophobicContact CZ-CG2 3.92Å; F681-V685 WeakPolarHBondContact O-CG2 3.41Å; F681-V685 PolarHBondContact O-N 3.38Å; E682-V685 PolarHBondContact O-N 2.98Å; V685-E687 PolarHBondContact O-N 2.85Å; V685-S688 WeakPolarHBondContact O-CB 3.41Å; V685-S688 PolarHBondContact O-N 2.97Å; V685-S688 VanDerWaalsContact O-N 3.09Å; V685-I689 HydrophobicContact CG1-CD1 4.1Å; V685-I689 WeakPolarHBondContact O-CG1 3.4Å; V685-I689 PolarHBondContact O-N 2.75Å; V685-L726 HydrophobicContact CG1-CD1 4.44Å; V685-L726 HydrophobicContact CG2-CD1 4.46Å; V685-V730 HydrophobicContact CG1-CG2 3.73Å; V685-V730 HydrophobicContact CG2-CG2 3.87Å; V685-W733 HydrophobicContact CG2-CE3 4.28Å; V685-W733 HydrophobicContact CG2-CZ3 4.2Å; V685-Y805 HydrophobicContact CG1-CD1 4.33Å; V685-Y805 HydrophobicContact CG1-CG 4.19Å |
| 686 | Y | 88.8 | Confident | 82.9 | Confident | 54 Ų | 54 | 57.2 Ų | 57.2 | 21% | 0.212 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.8 | -50.3 | 176.8 | 178.7 | -95.9 | 0 | 0 | 0 | 112.7 | E682 S688 I689 K690 Y1629 | E682-Y686 PolarHBondContact O-N 3.37Å; Y686-S688 VanDerWaalsContact C-N 3.26Å; Y686-S688 PolarHBondContact O-N 3.38Å; Y686-I689 PolarHBondContact O-N 2.88Å; Y686-K690 HydrophobicContact CE1-CD 4.31Å; Y686-K690 WeakPolarHBondContact O-CB 3.37Å; Y686-K690 PolarHBondContact O-N 3.18Å; Y686-Y1629 PolarHBondContact OH-O 2.9Å |
| 687 | E | 87.5 | Confident | 80.7 | Confident | 58 Ų | 58 | 53.5 Ų | 53.5 | 27% | 0.271 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65 | -27.7 | 175.9 | -87.7 | -72.3 | 128.8 | 0 | 0 | 113.1 | L683 V685 K690 R691 | L683-E687 WeakPolarHBondContact O-CB 3.33Å; L683-E687 PolarHBondContact O-N 3.28Å; V685-E687 PolarHBondContact O-N 2.85Å; E687-K690 WeakPolarHBondContact OE1-CD 3.28Å; E687-K690 WeakPolarHBondContact OE1-CE 3.43Å; E687-K690 IonicContact OE1-NZ 2.75Å; E687-K690 PolarHBondContact OE1-NZ 3.31Å; E687-R691 VanDerWaalsContact O-CD 3.23Å; E687-R691 WeakPolarHBondContact O-CD 3.28Å; E687-R691 WeakPolarHBondContact O-CG 3.45Å; E687-R691 PolarHBondContact O-N 3.16Å; E687-R691 PolarHBondContact O-NE 2.93Å; E687-R691 IonicContact OE2-CZ 3.19Å; E687-R691 IonicContact OE2-NE 2.68Å; E687-R691 PolarHBondContact OE2-NE 2.68Å; E687-R691 IonicContact OE2-NH2 2.73Å; E687-R691 PolarHBondContact OE2-NH2 3.26Å |
| 688 | S | 86.7 | Confident | 78.3 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 16% | 0.161 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -73 | -42.9 | 174.5 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | Y684 V685 Y686 K690 R691 I692 | Y684-S688 VanDerWaalsContact O-CB 3.27Å; Y684-S688 WeakPolarHBondContact O-CB 3.25Å; Y684-S688 PolarHBondContact O-N 3.15Å; Y684-S688 PolarHBondContact O-OG 3.34Å; V685-S688 WeakPolarHBondContact O-CB 3.41Å; V685-S688 PolarHBondContact O-N 2.97Å; V685-S688 VanDerWaalsContact O-N 3.09Å; Y686-S688 VanDerWaalsContact C-N 3.26Å; Y686-S688 PolarHBondContact O-N 3.38Å; S688-K690 VanDerWaalsContact C-N 3.33Å; S688-K690 PolarHBondContact O-N 2.82Å; S688-R691 PolarHBondContact O-N 3.48Å; S688-I692 PolarHBondContact O-N 3.38Å |
| 689 | I | 85.3 | Confident | 75.9 | Confident | 11 Ų | 11 | 63.9 Ų | 63.9 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 173.6 | -65.5 | 172.1 | 0 | 0 | 0 | 109.9 | V685 Y686 R691 I692 L726 Y805 L809 Y1629 | V685-I689 HydrophobicContact CG1-CD1 4.1Å; V685-I689 WeakPolarHBondContact O-CG1 3.4Å; V685-I689 PolarHBondContact O-N 2.75Å; Y686-I689 PolarHBondContact O-N 2.88Å; I689-R691 PolarHBondContact O-N 2.85Å; I689-R691 VanDerWaalsContact O-N 3.12Å; I689-I692 WeakPolarHBondContact O-CB 3.11Å; I689-I692 PolarHBondContact O-N 2.86Å; I689-L726 HydrophobicContact CG1-CD2 3.75Å; I689-Y805 HydrophobicContact CD1-CD1 3.55Å; I689-Y805 HydrophobicContact CD1-CE1 3.81Å; I689-L809 HydrophobicContact CD1-CG 4.48Å; I689-L809 HydrophobicContact CG1-CD2 4.14Å; I689-Y1629 HydrophobicContact CG2-CE1 3.98Å; I689-Y1629 HydrophobicContact CG2-CE2 4.48Å |
| 690 | K | 84.6 | Confident | 73.5 | Confident | 138 Ų | 138 | 67.8 Ų | 67.8 | 60% | 0.6 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16.7 | 179.9 | -179.7 | 177.2 | 157.8 | -158.1 | 0 | 114.4 | Y686 E687 S688 | Y686-K690 HydrophobicContact CE1-CD 4.31Å; Y686-K690 WeakPolarHBondContact O-CB 3.37Å; Y686-K690 PolarHBondContact O-N 3.18Å; E687-K690 WeakPolarHBondContact OE1-CD 3.28Å; E687-K690 WeakPolarHBondContact OE1-CE 3.43Å; E687-K690 IonicContact OE1-NZ 2.75Å; E687-K690 PolarHBondContact OE1-NZ 3.31Å; S688-K690 VanDerWaalsContact C-N 3.33Å; S688-K690 PolarHBondContact O-N 2.82Å |
| 691 | R | 79.8 | Confident | 71.4 | Confident | 178 Ų | 178 | 68.5 Ų | 68.5 | 67% | 0.672 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -4.9 | 175.1 | -68.5 | 166 | -161.1 | -159.4 | 3.3 | 113.7 | E687 S688 I689 D693 | E687-R691 VanDerWaalsContact O-CD 3.23Å; E687-R691 WeakPolarHBondContact O-CD 3.28Å; E687-R691 WeakPolarHBondContact O-CG 3.45Å; E687-R691 PolarHBondContact O-N 3.16Å; E687-R691 PolarHBondContact O-NE 2.93Å; E687-R691 IonicContact OE2-CZ 3.19Å; E687-R691 IonicContact OE2-NE 2.68Å; E687-R691 PolarHBondContact OE2-NE 2.68Å; E687-R691 IonicContact OE2-NH2 2.73Å; E687-R691 PolarHBondContact OE2-NH2 3.26Å; S688-R691 PolarHBondContact O-N 3.48Å; I689-R691 PolarHBondContact O-N 2.85Å; I689-R691 VanDerWaalsContact O-N 3.12Å; R691-D693 PolarHBondContact O-N 3.19Å |
| 692 | I | 74.3 | Confident | 69 | Low | 16 Ų | 16 | 76.1 Ų | 76.1 | 8% | 0.082 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -83.3 | 106 | 167 | -62.4 | 171.1 | 0 | 0 | 0 | 106.1 | S688 I689 L694 V719 F723 L726 | S688-I692 PolarHBondContact O-N 3.38Å; I689-I692 WeakPolarHBondContact O-CB 3.11Å; I689-I692 PolarHBondContact O-N 2.86Å; I692-L694 PolarHBondContact O-N 3.46Å; I692-L694 VanDerWaalsContact O-N 3.11Å; I692-V719 HydrophobicContact CG2-CG1 4.43Å; I692-F723 HydrophobicContact CD1-CD1 4.24Å; I692-F723 HydrophobicContact CD1-CE1 4.24Å; I692-F723 HydrophobicContact CD1-CG 4.5Å; I692-F723 HydrophobicContact CD1-CZ 4.5Å; I692-F723 HydrophobicContact CG2-CD2 4.34Å; I692-F723 HydrophobicContact CG2-CE1 4.46Å; I692-F723 HydrophobicContact CG2-CE2 3.64Å; I692-F723 HydrophobicContact CG2-CZ 3.71Å; I692-L726 HydrophobicContact CD1-CD2 4.09Å |
| 693 | D | 61.2 | Low | 66.6 | Low | 107 Ų | 107 | 84.6 Ų | 84.6 | 57% | 0.572 | 40% | 0.397 | S | S | * | . | trans | -69.3 | 107.9 | -177.8 | -168.1 | -9 | 0 | 0 | 0 | 110.7 | R691 N695 | R691-D693 PolarHBondContact O-N 3.19Å; D693-N695 VanDerWaalsContact C-N 3.28Å; D693-N695 PolarHBondContact O-N 3.11Å; D693-N695 VanDerWaalsContact OD1-CB 3.31Å; D693-N695 WeakPolarHBondContact OD1-CB 3.3Å; D693-N695 PolarHBondContact OD1-N 2.99Å; D693-N695 VanDerWaalsContact OD1-N 3.07Å; D693-N695 PolarHBondContact OD1-ND2 3.11Å | ||
| 694 | L | 60.5 | Low | 64.2 | Low | 67 Ų | 67 | 84.6 Ų | 84.6 | 35% | 0.351 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -78.1 | -10.8 | -178 | -65.2 | 174.1 | 0 | 0 | 0 | 113 | I692 Y696 S697 F723 L816 | I692-L694 PolarHBondContact O-N 3.46Å; I692-L694 VanDerWaalsContact O-N 3.11Å; L694-Y696 PolarHBondContact O-N 3.26Å; L694-S697 PolarHBondContact O-OG 2.9Å; L694-F723 HydrophobicContact CD2-CZ 4.48Å; L694-L816 HydrophobicContact CD2-CD1 4.09Å |
| 695 | N | 52.4 | Low | 61.9 | Low | 134 Ų | 134 | 87.5 Ų | 87.5 | 72% | 0.717 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -67.8 | -6.5 | -176.1 | -63.7 | -64.7 | 0 | 0 | 0 | 114.1 | D693 S697 | D693-N695 VanDerWaalsContact C-N 3.28Å; D693-N695 PolarHBondContact O-N 3.11Å; D693-N695 VanDerWaalsContact OD1-CB 3.31Å; D693-N695 WeakPolarHBondContact OD1-CB 3.3Å; D693-N695 PolarHBondContact OD1-N 2.99Å; D693-N695 VanDerWaalsContact OD1-N 3.07Å; D693-N695 PolarHBondContact OD1-ND2 3.11Å; N695-S697 PolarHBondContact O-N 3.11Å; N695-S697 VanDerWaalsContact O-N 3.14Å |
| 696 | Y | 51 | Low | 59.6 | Low | 74 Ų | 74 | 92.6 Ų | 92.6 | 29% | 0.29 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -66.8 | -5.3 | 176.5 | -169.1 | -99.1 | 0 | 0 | 0 | 114.4 | L694 E700 L716 | L694-Y696 PolarHBondContact O-N 3.26Å; Y696-E700 WeakPolarHBondContact CE2-OE2 3.3Å; Y696-L716 HydrophobicContact CE1-CD1 3.97Å |
| 697 | S | 49.9 | Very low | 57.1 | Low | 36 Ų | 36 | 94.5 Ų | 94.5 | 25% | 0.252 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -85.2 | -47.6 | -162.5 | 36.9 | 0 | 0 | 0 | 0 | 115.7 | L694 N695 I701 | L694-S697 PolarHBondContact O-OG 2.9Å; N695-S697 PolarHBondContact O-N 3.11Å; N695-S697 VanDerWaalsContact O-N 3.14Å; S697-I701 WeakPolarHBondContact O-CD1 3.42Å; S697-I701 VanDerWaalsContact O-CG1 3.28Å; S697-I701 WeakPolarHBondContact O-CG1 3.28Å |
| 698 | D | 44.9 | Very low | 54.5 | Low | 127 Ų | 127 | 97.3 Ų | 97.3 | 68% | 0.679 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -97.3 | -46.4 | -167 | -64.5 | -37.8 | 0 | 0 | 0 | 114.7 | ||
| 699 | I | 44 | Very low | 52 | Low | 106 Ų | 106 | 105.5 Ų | 105.5 | 54% | 0.544 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -86.6 | -32.2 | -166.6 | -63.7 | 175 | 0 | 0 | 0 | 112.9 | R703 | I699-R703 WeakPolarHBondContact O-CD 3.47Å; I699-R703 WeakPolarHBondContact O-CG 3.45Å |
| 700 | E | 42.8 | Very low | 49.5 | Very low | 91 Ų | 91 | 110.7 Ų | 110.7 | 43% | 0.425 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -86.3 | -24.8 | -178 | -63.3 | -155.8 | 143.3 | 0 | 0 | 113.1 | Y696 N704 | Y696-E700 WeakPolarHBondContact CE2-OE2 3.3Å; E700-N704 VanDerWaalsContact O-CB 3.29Å; E700-N704 WeakPolarHBondContact O-CB 3.42Å; E700-N704 PolarHBondContact O-N 3.15Å; E700-N704 PolarHBondContact O-ND2 2.75Å |
| 701 | I | 47.7 | Very low | 47.2 | Very low | 68 Ų | 68 | 109.7 Ų | 109.7 | 35% | 0.349 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.8 | -38.2 | 179 | -59.3 | -170 | 0 | 0 | 0 | 111.1 | S697 Y705 | S697-I701 WeakPolarHBondContact O-CD1 3.42Å; S697-I701 VanDerWaalsContact O-CG1 3.28Å; S697-I701 WeakPolarHBondContact O-CG1 3.28Å; I701-Y705 HydrophobicContact CG2-CD2 4.44Å; I701-Y705 HydrophobicContact CG2-CE2 4.26Å; I701-Y705 WeakPolarHBondContact O-CD2 3.33Å |
| 702 | E | 42.4 | Very low | 45 | Very low | 161 Ų | 161 | 105.7 Ų | 105.7 | 75% | 0.752 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -70.9 | -41.8 | 173.1 | -67 | -158.5 | 137.1 | 0 | 0 | 112.4 | ||
| 703 | R | 42.9 | Very low | 43.6 | Very low | 183 Ų | 183 | 110.4 Ų | 110.4 | 69% | 0.691 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.4 | -40.1 | -176.9 | -74.1 | 177.7 | 176.7 | 166.4 | 1.7 | 113.4 | I699 Y705 | I699-R703 WeakPolarHBondContact O-CD 3.47Å; I699-R703 WeakPolarHBondContact O-CG 3.45Å; R703-Y705 VanDerWaalsContact C-N 3.31Å; R703-Y705 PolarHBondContact O-N 2.97Å |
| 704 | N | 40.9 | Very low | 42.7 | Very low | 68 Ų | 68 | 108.7 Ų | 108.7 | 36% | 0.364 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.7 | -4.4 | -173.4 | -72.2 | -47.9 | 0 | 0 | 0 | 114.9 | E700 L711 | E700-N704 VanDerWaalsContact O-CB 3.29Å; E700-N704 WeakPolarHBondContact O-CB 3.42Å; E700-N704 PolarHBondContact O-N 3.15Å; E700-N704 PolarHBondContact O-ND2 2.75Å; N704-L711 HydrophobicContact CB-CD2 4.4Å |
| 705 | Y | 43.1 | Very low | 42 | Very low | 137 Ų | 137 | 111 Ų | 111 | 54% | 0.537 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.4 | -18.6 | -177.1 | -87.8 | -102.8 | 0 | 0 | 0 | 115 | I701 R703 L824 | I701-Y705 HydrophobicContact CG2-CD2 4.44Å; I701-Y705 HydrophobicContact CG2-CE2 4.26Å; I701-Y705 WeakPolarHBondContact O-CD2 3.33Å; R703-Y705 VanDerWaalsContact C-N 3.31Å; R703-Y705 PolarHBondContact O-N 2.97Å; Y705-L824 HydrophobicContact CE1-CD1 4.27Å; Y705-L824 HydrophobicContact CE1-CD2 3.59Å |
| 706 | S | 40.2 | Very low | 42.1 | Very low | 108 Ų | 108 | 107.8 Ų | 107.8 | 76% | 0.755 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -92.5 | -11.9 | -172.5 | -67.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 707 | T | 37.9 | Very low | 42.7 | Very low | 94 Ų | 94 | 107.4 Ų | 107.4 | 58% | 0.577 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -119.5 | 120.8 | -177.3 | 47.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 708 | T | 33 | Very low | 43.6 | Very low | 116 Ų | 116 | 110.1 Ų | 110.1 | 71% | 0.712 | 59% | 0.591 | S | S | * | * | trans | -28.6 | 128.5 | 168.4 | 52.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 709 | K | 33.6 | Very low | 44.9 | Very low | 195 Ų | 195 | 106 Ų | 106 | 85% | 0.848 | 57% | 0.57 | S | S | * | * | S | Bend | trans | 63.2 | 126.4 | 156.7 | -63.1 | 177.8 | 179 | 175.5 | 0 | 117.2 | ||
| 710 | S | 32.9 | Very low | 46.5 | Very low | 120 Ų | 120 | 102.4 Ų | 102.4 | 84% | 0.839 | 55% | 0.552 | S | S | * | * | trans | 54.9 | 84.2 | 166.1 | 54.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 711 | L | 35 | Very low | 48.3 | Very low | 118 Ų | 118 | 103.3 Ų | 103.3 | 62% | 0.618 | 55% | 0.552 | S | S | * | * | trans | -99.5 | 140.3 | 139.5 | -165.6 | 70.2 | 0 | 0 | 0 | 108.3 | N704 | N704-L711 HydrophobicContact CB-CD2 4.4Š| ||
| 712 | P | 34.9 | Very low | 50 | Low | 93 Ų | 93 | 105.7 Ų | 105.7 | 60% | 0.604 | 56% | 0.56 | S | S | * | * | trans | -66.5 | 149.3 | 176.3 | -21.6 | 34.7 | 0 | 0 | 0 | 112.4 | P714 | P712-P714 HydrophobicContact CB-CG 4.41Å; P712-P714 WeakPolarHBondContact O-CD 3.48Å | ||
| 713 | P | 43.9 | Very low | 52 | Low | 116 Ų | 116 | 98.2 Ų | 98.2 | 75% | 0.753 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -82.1 | -5.7 | -177.3 | 33 | -37.1 | 0 | 0 | 0 | 119.4 | L715 | P713-L715 PolarHBondContact O-N 2.78Š|
| 714 | P | 42.3 | Very low | 54.1 | Low | 70 Ų | 70 | 90.4 Ų | 90.4 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -75.4 | -25.9 | -161.3 | 31.2 | -35.2 | 0 | 0 | 0 | 115.4 | P712 L716 S717 D718 | P712-P714 HydrophobicContact CB-CG 4.41Å; P712-P714 WeakPolarHBondContact O-CD 3.48Å; P714-L716 PolarHBondContact O-N 3.5Å; P714-S717 VanDerWaalsContact C-OG 3.31Å; P714-S717 WeakPolarHBondContact CA-OG 3.3Å; P714-S717 PolarHBondContact O-N 3.43Å; P714-S717 PolarHBondContact O-OG 3.1Å; P714-D718 PolarHBondContact O-N 3.18Å |
| 715 | L | 45.6 | Very low | 56.3 | Low | 115 Ų | 115 | 89 Ų | 89 | 60% | 0.602 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.1 | -43.8 | -173.5 | -73.8 | 167.3 | 0 | 0 | 0 | 112.8 | P713 S717 D718 | P713-L715 PolarHBondContact O-N 2.78Å; L715-S717 VanDerWaalsContact C-N 3.3Å; L715-S717 PolarHBondContact O-N 3.3Å; L715-D718 PolarHBondContact O-N 2.94Å |
| 716 | L | 55.2 | Low | 58.5 | Low | 67 Ų | 67 | 82.8 Ų | 82.8 | 35% | 0.351 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.9 | -33.2 | 177.9 | -175 | 63.5 | 0 | 0 | 0 | 112 | Y696 P714 D720 | Y696-L716 HydrophobicContact CE1-CD1 3.97Å; P714-L716 PolarHBondContact O-N 3.5Å; L716-D720 WeakPolarHBondContact O-CB 3.32Å; L716-D720 PolarHBondContact O-N 3.37Å |
| 717 | S | 64 | Low | 61 | Low | 66 Ų | 66 | 77.7 Ų | 77.7 | 46% | 0.462 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -70 | -31.3 | 178.2 | 41.3 | 0 | 0 | 0 | 0 | 113.8 | P714 L715 R721 | P714-S717 VanDerWaalsContact C-OG 3.31Å; P714-S717 WeakPolarHBondContact CA-OG 3.3Å; P714-S717 PolarHBondContact O-N 3.43Å; P714-S717 PolarHBondContact O-OG 3.1Å; L715-S717 VanDerWaalsContact C-N 3.3Å; L715-S717 PolarHBondContact O-N 3.3Å; S717-R721 WeakPolarHBondContact O-CB 3.45Å; S717-R721 PolarHBondContact O-N 3.3Å |
| 718 | D | 69.5 | Low | 63.6 | Low | 94 Ų | 94 | 76.1 Ų | 76.1 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -73.1 | -34.4 | 178.2 | -78.6 | -18.6 | 0 | 0 | 0 | 112.3 | P714 L715 K722 | P714-D718 PolarHBondContact O-N 3.18Å; L715-D718 PolarHBondContact O-N 2.94Å; D718-K722 VanDerWaalsContact O-CG 3.28Å; D718-K722 WeakPolarHBondContact O-CG 3.16Å; D718-K722 PolarHBondContact O-N 2.97Å |
| 719 | V | 71.5 | Confident | 66.5 | Low | 39 Ų | 39 | 70.6 Ų | 70.6 | 24% | 0.236 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -71.6 | -47.9 | 173.6 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | I692 R721 K722 F723 | I692-V719 HydrophobicContact CG2-CG1 4.43Å; V719-R721 VanDerWaalsContact C-N 3.28Å; V719-R721 PolarHBondContact O-N 2.78Å; V719-K722 PolarHBondContact O-N 2.88Å; V719-K722 VanDerWaalsContact O-N 3.11Å; V719-F723 HydrophobicContact CG1-CD2 3.99Å; V719-F723 HydrophobicContact CG1-CE2 3.88Å; V719-F723 WeakPolarHBondContact O-CD2 3.3Å; V719-F723 PolarHBondContact O-N 3.24Å |
| 720 | D | 77 | Confident | 69.4 | Low | 31 Ų | 31 | 61.3 Ų | 61.3 | 17% | 0.166 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.5 | -40.8 | 176.5 | -170.3 | 44.7 | 0 | 0 | 0 | 111.4 | L716 F723 I724 R813 I817 | L716-D720 WeakPolarHBondContact O-CB 3.32Å; L716-D720 PolarHBondContact O-N 3.37Å; D720-F723 WeakPolarHBondContact O-CB 2.95Å; D720-F723 PolarHBondContact O-N 2.93Å; D720-I724 VanDerWaalsContact O-CG1 3.3Å; D720-I724 WeakPolarHBondContact O-CG1 3.36Å; D720-I724 PolarHBondContact O-N 3.27Å; D720-R813 VanDerWaalsContact CG-NH2 3.26Å; D720-R813 IonicContact OD1-CZ 2.64Å; D720-R813 IonicContact OD1-NE 2.72Å; D720-R813 PolarHBondContact OD1-NE 2.8Å; D720-R813 IonicContact OD1-NH2 2.78Å; D720-R813 PolarHBondContact OD1-NH2 2.88Å; D720-R813 IonicContact OD2-NH2 2.66Å; D720-R813 PolarHBondContact OD2-NH2 3.12Å; D720-I817 HydrophobicContact CB-CD1 3.97Å; D720-I817 WeakPolarHBondContact OD1-CD1 3.3Å |
| 721 | R | 81.3 | Confident | 72.3 | Confident | 110 Ų | 110 | 55.7 Ų | 55.7 | 42% | 0.415 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 173.3 | -177 | 176.5 | 172.5 | -157.3 | -2.1 | 112.3 | S717 V719 F723 I724 D725 | S717-R721 WeakPolarHBondContact O-CB 3.45Å; S717-R721 PolarHBondContact O-N 3.3Å; V719-R721 VanDerWaalsContact C-N 3.28Å; V719-R721 PolarHBondContact O-N 2.78Å; R721-F723 VanDerWaalsContact C-N 3.3Å; R721-F723 PolarHBondContact O-N 3.43Å; R721-I724 PolarHBondContact O-N 2.74Å; R721-D725 WeakPolarHBondContact CG-OD2 3.36Å; R721-D725 IonicContact CZ-OD2 2.69Å; R721-D725 IonicContact NE-OD2 3.21Å; R721-D725 PolarHBondContact NE-OD2 3.15Å; R721-D725 IonicContact NH2-OD2 3.62Å; R721-D725 PolarHBondContact NH2-OD2 3.35Å; R721-D725 WeakPolarHBondContact O-CA 3.41Å; R721-D725 WeakPolarHBondContact O-CB 3.35Å; R721-D725 PolarHBondContact O-N 3.44Å |
| 722 | K | 82.7 | Confident | 75.1 | Confident | 118 Ų | 118 | 50.2 Ų | 50.2 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.6 | -37.7 | 174.8 | -75 | 167.8 | -175.7 | 175 | 0 | 112.2 | D718 V719 D725 L726 | D718-K722 VanDerWaalsContact O-CG 3.28Å; D718-K722 WeakPolarHBondContact O-CG 3.16Å; D718-K722 PolarHBondContact O-N 2.97Å; V719-K722 PolarHBondContact O-N 2.88Å; V719-K722 VanDerWaalsContact O-N 3.11Å; K722-D725 CarbonylContact O-C 3.38Å; K722-D725 PolarHBondContact O-N 3.39Å; K722-L726 WeakPolarHBondContact O-CB 3.14Å; K722-L726 PolarHBondContact O-N 3.39Å |
| 723 | F | 84.2 | Confident | 78 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.4 | -50.3 | 173 | -86.2 | -73.6 | 0 | 0 | 0 | 111.9 | I692 L694 V719 D720 R721 D725 L726 I727 L809 L812 R813 L816 | I692-F723 HydrophobicContact CD1-CD1 4.24Å; I692-F723 HydrophobicContact CD1-CE1 4.24Å; I692-F723 HydrophobicContact CD1-CG 4.5Å; I692-F723 HydrophobicContact CD1-CZ 4.5Å; I692-F723 HydrophobicContact CG2-CD2 4.34Å; I692-F723 HydrophobicContact CG2-CE1 4.46Å; I692-F723 HydrophobicContact CG2-CE2 3.64Å; I692-F723 HydrophobicContact CG2-CZ 3.71Å; L694-F723 HydrophobicContact CD2-CZ 4.48Å; V719-F723 HydrophobicContact CG1-CD2 3.99Å; V719-F723 HydrophobicContact CG1-CE2 3.88Å; V719-F723 WeakPolarHBondContact O-CD2 3.3Å; V719-F723 PolarHBondContact O-N 3.24Å; D720-F723 WeakPolarHBondContact O-CB 2.95Å; D720-F723 PolarHBondContact O-N 2.93Å; R721-F723 VanDerWaalsContact C-N 3.3Å; R721-F723 PolarHBondContact O-N 3.43Å; F723-D725 PolarHBondContact O-N 2.87Å; F723-L726 PolarHBondContact O-N 2.84Å; F723-I727 WeakPolarHBondContact O-CB 3.18Å; F723-I727 VanDerWaalsContact O-CG1 3.23Å; F723-I727 WeakPolarHBondContact O-CG1 3.28Å; F723-I727 PolarHBondContact O-N 3.49Å; F723-L809 HydrophobicContact CD1-CD2 4.02Å; F723-L809 HydrophobicContact CE1-CD2 4.09Å; F723-L812 HydrophobicContact CE1-CB 4.08Å; F723-L812 HydrophobicContact CZ-CB 4.41Å; F723-R813 HydrophobicContact CB-CG 4.44Å; F723-L816 HydrophobicContact CE2-CD1 4.21Å; F723-L816 HydrophobicContact CZ-CD1 3.93Å |
| 724 | I | 87.1 | Confident | 80.5 | Confident | 19 Ų | 19 | 40.3 Ų | 40.3 | 10% | 0.097 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.4 | -39.7 | 174.1 | -64 | 158.4 | 0 | 0 | 0 | 110.6 | H567 D720 R721 L726 I727 K728 R813 E908 | H567-I724 PolarHBondContact CE1-O 3.2Å; H567-I724 VanDerWaalsContact CE1-O 3.26Å; D720-I724 VanDerWaalsContact O-CG1 3.3Å; D720-I724 WeakPolarHBondContact O-CG1 3.36Å; D720-I724 PolarHBondContact O-N 3.27Å; R721-I724 PolarHBondContact O-N 2.74Å; I724-L726 VanDerWaalsContact C-N 3.31Å; I724-L726 PolarHBondContact O-N 2.8Å; I724-I727 PolarHBondContact O-N 3.42Å; I724-K728 PolarHBondContact O-N 3Å; I724-R813 VanDerWaalsContact CG1-CZ 3.5Å; I724-E908 WeakPolarHBondContact CD1-OE1 3.26Å |
| 725 | D | 87.1 | Confident | 83.1 | Confident | 38 Ų | 38 | 37 Ų | 37 | 20% | 0.203 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -81.3 | -7 | -175.6 | -68.6 | -14.9 | 0 | 0 | 0 | 114.7 | H567 R721 K722 F723 K728 S729 | H567-D725 HydrophobicContact CB-CB 4.12Å; H567-D725 PolarHBondContact CD2-O 2.85Å; H567-D725 WeakPolarHBondContact CE1-CA 3.36Å; H567-D725 PolarHBondContact CE1-O 3.21Å; H567-D725 IonicContact CE1-OD1 3.73Å; H567-D725 IonicContact CG-OD1 2.74Å; H567-D725 VanDerWaalsContact ND1-CA 3.32Å; H567-D725 WeakPolarHBondContact ND1-CA 3.47Å; H567-D725 IonicContact ND1-OD1 2.81Å; H567-D725 PolarHBondContact ND1-OD1 2.9Å; H567-D725 PolarHBondContact NE2-O 2.99Å; R721-D725 WeakPolarHBondContact CG-OD2 3.36Å; R721-D725 IonicContact CZ-OD2 2.69Å; R721-D725 IonicContact NE-OD2 3.21Å; R721-D725 PolarHBondContact NE-OD2 3.15Å; R721-D725 IonicContact NH2-OD2 3.62Å; R721-D725 PolarHBondContact NH2-OD2 3.35Å; R721-D725 WeakPolarHBondContact O-CA 3.41Å; R721-D725 WeakPolarHBondContact O-CB 3.35Å; R721-D725 PolarHBondContact O-N 3.44Å; K722-D725 CarbonylContact O-C 3.38Å; K722-D725 PolarHBondContact O-N 3.39Å; F723-D725 PolarHBondContact O-N 2.87Å; D725-K728 IonicContact OD1-NZ 2.74Å; D725-K728 PolarHBondContact OD1-NZ 3.17Å; D725-S729 PolarHBondContact O-OG 3.12Å |
| 726 | L | 90.7 | Very high | 85.5 | Confident | 7 Ų | 7 | 31.6 Ų | 31.6 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -99 | -34.9 | 163.5 | -170.1 | 54.3 | 0 | 0 | 0 | 111.8 | V685 I689 I692 K722 F723 I724 S729 V730 L809 | V685-L726 HydrophobicContact CG1-CD1 4.44Å; V685-L726 HydrophobicContact CG2-CD1 4.46Å; I689-L726 HydrophobicContact CG1-CD2 3.75Å; I692-L726 HydrophobicContact CD1-CD2 4.09Å; K722-L726 WeakPolarHBondContact O-CB 3.14Å; K722-L726 PolarHBondContact O-N 3.39Å; F723-L726 PolarHBondContact O-N 2.84Å; I724-L726 VanDerWaalsContact C-N 3.31Å; I724-L726 PolarHBondContact O-N 2.8Å; L726-S729 WeakPolarHBondContact O-CB 3.49Å; L726-S729 PolarHBondContact O-N 2.77Å; L726-V730 HydrophobicContact CD1-CG2 4.42Å; L726-V730 WeakPolarHBondContact O-CG2 3.35Å; L726-V730 PolarHBondContact O-N 3.47Å; L726-L809 HydrophobicContact CD2-CD1 4.04Å; L726-L809 HydrophobicContact CD2-CD2 3.93Å; L726-L809 HydrophobicContact CG-CD1 3.84Å; L726-L809 HydrophobicContact CG-CD2 4.46Å |
| 727 | I | 92.6 | Very high | 87.5 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.5 | -56.2 | -179.8 | -76.9 | 165.4 | 0 | 0 | 0 | 111.5 | F723 I724 S729 V730 T731 L806 L809 | F723-I727 WeakPolarHBondContact O-CB 3.18Å; F723-I727 VanDerWaalsContact O-CG1 3.23Å; F723-I727 WeakPolarHBondContact O-CG1 3.28Å; F723-I727 PolarHBondContact O-N 3.49Å; I724-I727 PolarHBondContact O-N 3.42Å; I727-S729 PolarHBondContact O-N 3.11Å; I727-V730 PolarHBondContact O-N 2.87Å; I727-V730 VanDerWaalsContact O-N 3.17Å; I727-T731 WeakPolarHBondContact O-CB 3.48Å; I727-T731 PolarHBondContact O-N 3Å; I727-T731 PolarHBondContact O-OG1 3.41Å; I727-L806 HydrophobicContact CG2-CD1 4.06Å; I727-L809 HydrophobicContact CG1-CB 4.11Å |
| 728 | K | 92.5 | Very high | 89 | Confident | 60 Ų | 60 | 25.3 Ų | 25.3 | 26% | 0.261 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -64.7 | -28 | -178.7 | -35.1 | 174.1 | -159.1 | 90.4 | 0 | 112.8 | V566 H567 I724 D725 T731 A732 C912 | V566-K728 HydrophobicContact CG1-CB 3.97Å; H567-K728 WeakPolarHBondContact CE1-CB 3.34Å; H567-K728 WeakPolarHBondContact CE1-CG 3.45Å; H567-K728 PolarHBondContact CE1-NZ 2.92Å; H567-K728 PolarHBondContact ND1-NZ 3.1Å; I724-K728 PolarHBondContact O-N 3Å; D725-K728 IonicContact OD1-NZ 2.74Å; D725-K728 PolarHBondContact OD1-NZ 3.17Å; K728-T731 PolarHBondContact O-N 3.42Å; K728-A732 VanDerWaalsContact O-CB 3.31Å; K728-A732 WeakPolarHBondContact O-CB 3.13Å; K728-A732 PolarHBondContact O-N 3.19Å; K728-C912 HydrophobicContact CG-CB 4.06Å; K728-C912 VanDerWaalsContact CG-SG 3.56Å |
| 729 | S | 92.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.007 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.9 | -46.7 | 175 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | L563 H567 D725 L726 I727 W733 | L563-S729 WeakPolarHBondContact O-CB 3.42Å; L563-S729 PolarHBondContact O-OG 2.72Å; H567-S729 PolarHBondContact CD2-OG 2.96Å; H567-S729 PolarHBondContact NE2-N 2.82Å; H567-S729 VanDerWaalsContact NE2-N 3.14Å; H567-S729 PolarHBondContact NE2-OG 3.11Å; D725-S729 PolarHBondContact O-OG 3.12Å; L726-S729 WeakPolarHBondContact O-CB 3.49Å; L726-S729 PolarHBondContact O-N 2.77Å; I727-S729 PolarHBondContact O-N 3.11Å; S729-W733 PolarHBondContact O-N 2.73Å; S729-W733 VanDerWaalsContact O-N 3.11Å |
| 730 | V | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -69.5 | -37.1 | 174.4 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | V685 L726 I727 W733 L734 A802 L806 L809 | V685-V730 HydrophobicContact CG1-CG2 3.73Å; V685-V730 HydrophobicContact CG2-CG2 3.87Å; L726-V730 HydrophobicContact CD1-CG2 4.42Å; L726-V730 WeakPolarHBondContact O-CG2 3.35Å; L726-V730 PolarHBondContact O-N 3.47Å; I727-V730 PolarHBondContact O-N 2.87Å; I727-V730 VanDerWaalsContact O-N 3.17Å; V730-W733 HydrophobicContact CG1-CE3 4.09Å; V730-W733 WeakPolarHBondContact O-CB 3.39Å; V730-W733 PolarHBondContact O-N 2.84Å; V730-L734 PolarHBondContact O-N 2.88Å; V730-A802 VanDerWaalsContact CG1-O 3.3Å; V730-A802 WeakPolarHBondContact CG1-O 3.23Å; V730-L806 HydrophobicContact CG1-CB 3.84Å; V730-L809 HydrophobicContact CG2-CD1 3.94Å |
| 731 | T | 94.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.4 | -44.6 | 174.9 | -54.9 | 0 | 0 | 0 | 0 | 112.2 | I727 K728 W733 L734 A735 L806 L913 A916 V918 | I727-T731 WeakPolarHBondContact O-CB 3.48Å; I727-T731 PolarHBondContact O-N 3Å; I727-T731 PolarHBondContact O-OG1 3.41Å; K728-T731 PolarHBondContact O-N 3.42Å; T731-W733 VanDerWaalsContact C-N 3.33Å; T731-L734 PolarHBondContact O-N 3.49Å; T731-A735 WeakPolarHBondContact O-CB 3.45Å; T731-A735 PolarHBondContact O-N 3.43Å; T731-L806 WeakPolarHBondContact OG1-CD1 3.3Å; T731-L913 HydrophobicContact CG2-CD2 4.04Å; T731-L913 HydrophobicContact CG2-CG 4.5Å; T731-A916 HydrophobicContact CG2-CB 3.61Å; T731-V918 HydrophobicContact CG2-CG2 3.52Å |
| 732 | A | 93.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 13.8 Ų | 13.8 | 3% | 0.033 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66.6 | -34.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L563 V566 I592 K728 N736 | L563-A732 HydrophobicContact CD2-CB 3.83Å; V566-A732 HydrophobicContact CG2-CB 4.09Å; I592-A732 HydrophobicContact CD1-CB 4.23Å; K728-A732 VanDerWaalsContact O-CB 3.31Å; K728-A732 WeakPolarHBondContact O-CB 3.13Å; K728-A732 PolarHBondContact O-N 3.19Å; A732-N736 WeakPolarHBondContact O-CB 3.33Å; A732-N736 PolarHBondContact O-N 2.88Å; A732-N736 PolarHBondContact O-ND2 2.92Å |
| 733 | W | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -63.7 | -49.7 | 171.9 | 171.7 | 30.1 | 0 | 0 | 0 | 111.5 | L563 F678 F681 E682 V685 S729 V730 T731 A735 N736 A737 I798 T801 A802 Y805 | L563-W733 HydrophobicContact CD1-CB 4.29Å; F678-W733 AromaticContact CD1-CD1 3.44Å; F678-W733 VanDerWaalsContact CD1-CD1 3.44Å; F678-W733 AromaticContact CD1-NE1 3.45Å; F678-W733 AromaticContact CE1-CD1 3.76Å; F681-W733 HydrophobicContact CD1-CB 4Å; F681-W733 AromaticContact CD1-CD2 3.57Å; F681-W733 HydrophobicContact CD1-CD2 3.57Å; F681-W733 AromaticContact CD1-CE3 3.74Å; F681-W733 HydrophobicContact CD1-CE3 3.74Å; F681-W733 AromaticContact CD1-CG 3.71Å; F681-W733 HydrophobicContact CD1-CG 3.71Å; F681-W733 HydrophobicContact CD1-CZ3 4.42Å; F681-W733 HydrophobicContact CE1-CB 3.55Å; F681-W733 AromaticContact CE1-CD2 3.73Å; F681-W733 HydrophobicContact CE1-CD2 3.73Å; F681-W733 AromaticContact CE1-CE3 3.63Å; F681-W733 HydrophobicContact CE1-CE3 3.63Å; F681-W733 AromaticContact CE1-CG 3.73Å; F681-W733 HydrophobicContact CE1-CG 3.73Å; F681-W733 HydrophobicContact CZ-CB 4.41Å; E682-W733 HydrophobicContact CB-CH2 3.81Å; E682-W733 HydrophobicContact CB-CZ2 4.08Å; E682-W733 HydrophobicContact CG-CH2 3.98Å; V685-W733 HydrophobicContact CG2-CE3 4.28Å; V685-W733 HydrophobicContact CG2-CZ3 4.2Å; S729-W733 PolarHBondContact O-N 2.73Å; S729-W733 VanDerWaalsContact O-N 3.11Å; V730-W733 HydrophobicContact CG1-CE3 4.09Å; V730-W733 WeakPolarHBondContact O-CB 3.39Å; V730-W733 PolarHBondContact O-N 2.84Å; T731-W733 VanDerWaalsContact C-N 3.33Å; W733-A735 VanDerWaalsContact C-N 3.33Å; W733-A735 PolarHBondContact O-N 2.74Å; W733-N736 PolarHBondContact O-N 3.07Å; W733-A737 VanDerWaalsContact O-CB 3.28Å; W733-A737 WeakPolarHBondContact O-CB 3.46Å; W733-A737 PolarHBondContact O-N 3.43Å; W733-I798 HydrophobicContact CZ2-CG2 4.06Å; W733-T801 HydrophobicContact CH2-CG2 4.39Å; W733-A802 HydrophobicContact CD2-CB 3.6Å; W733-A802 HydrophobicContact CE3-CB 3.65Å; W733-A802 HydrophobicContact CG-CB 4.18Å; W733-A802 HydrophobicContact CH2-CB 4.07Å; W733-A802 HydrophobicContact CZ2-CB 4.02Å; W733-A802 HydrophobicContact CZ3-CB 3.9Å; W733-Y805 HydrophobicContact CH2-CD2 4.24Å; W733-Y805 HydrophobicContact CZ3-CD2 4.1Å |
| 734 | L | 96.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.005 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -56.9 | -45.9 | 175.9 | 176.7 | 62.7 | 0 | 0 | 0 | 111.5 | V730 T731 S738 V799 A802 F803 L806 V918 F922 | V730-L734 PolarHBondContact O-N 2.88Å; T731-L734 PolarHBondContact O-N 3.49Å; L734-S738 WeakPolarHBondContact O-CB 3.42Å; L734-S738 PolarHBondContact O-N 3.43Å; L734-S738 VanDerWaalsContact O-N 3.08Å; L734-S738 PolarHBondContact O-OG 3.32Å; L734-V799 HydrophobicContact CD1-CG1 4.04Å; L734-V799 WeakPolarHBondContact CD1-O 3.38Å; L734-A802 HydrophobicContact CB-CB 4.14Å; L734-A802 HydrophobicContact CD1-CB 4.29Å; L734-F803 HydrophobicContact CD1-CB 4.05Å; L734-F803 HydrophobicContact CD2-CB 4.41Å; L734-F803 HydrophobicContact CD2-CD2 4.16Å; L734-L806 HydrophobicContact CD2-CD2 3.82Å; L734-V918 HydrophobicContact CD2-CG1 4.33Å; L734-F922 HydrophobicContact CD1-CD2 4.45Å; L734-F922 HydrophobicContact CD1-CE2 4.31Å; L734-F922 HydrophobicContact CD1-CZ 4.42Å; L734-F922 HydrophobicContact CD2-CB 4.45Å; L734-F922 HydrophobicContact CD2-CG 4.45Å; L734-F922 HydrophobicContact CG-CD2 4.47Å |
| 735 | A | 95.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.008 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -60.9 | -48.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L597 T731 W733 S738 Q739 A916 V918 | L597-A735 HydrophobicContact CD2-CB 3.83Å; T731-A735 WeakPolarHBondContact O-CB 3.45Å; T731-A735 PolarHBondContact O-N 3.43Å; W733-A735 VanDerWaalsContact C-N 3.33Å; W733-A735 PolarHBondContact O-N 2.74Å; A735-S738 PolarHBondContact O-OG 2.87Å; A735-Q739 WeakPolarHBondContact O-CB 3.47Å; A735-Q739 PolarHBondContact O-N 3.4Å; A735-A916 HydrophobicContact CB-CB 4.45Å; A735-A916 WeakPolarHBondContact CB-O 3.17Å; A735-V918 HydrophobicContact CB-CG2 3.9Å |
| 736 | N | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -73.2 | -40 | -177.4 | -80.1 | -83 | 0 | 0 | 0 | 113 | P596 L597 P599 A600 A732 W733 L740 | P596-N736 PolarHBondContact O-ND2 3.27Å; L597-N736 WeakPolarHBondContact CA-OD1 3.42Å; L597-N736 PolarHBondContact O-OD1 3.16Å; P599-N736 HydrophobicContact CB-CB 4.4Å; P599-N736 WeakPolarHBondContact CB-OD1 3.32Å; P599-N736 VanDerWaalsContact CD-OD1 3.24Å; P599-N736 WeakPolarHBondContact CD-OD1 3.06Å; A600-N736 HydrophobicContact CB-CB 4.22Å; A600-N736 WeakPolarHBondContact CB-O 3.23Å; A600-N736 WeakPolarHBondContact CB-OD1 3.5Å; A600-N736 PolarHBondContact N-OD1 3.31Å; A732-N736 WeakPolarHBondContact O-CB 3.33Å; A732-N736 PolarHBondContact O-N 2.88Å; A732-N736 PolarHBondContact O-ND2 2.92Å; W733-N736 PolarHBondContact O-N 3.07Å; N736-L740 WeakPolarHBondContact O-CB 3.46Å; N736-L740 PolarHBondContact O-N 2.87Å |
| 737 | A | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -65.5 | -42.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F678 W733 L740 L741 L795 I798 V799 | F678-A737 HydrophobicContact CE1-CB 4.33Å; F678-A737 HydrophobicContact CZ-CB 4.3Å; W733-A737 VanDerWaalsContact O-CB 3.28Å; W733-A737 WeakPolarHBondContact O-CB 3.46Å; W733-A737 PolarHBondContact O-N 3.43Å; A737-L740 PolarHBondContact O-N 3.41Å; A737-L741 WeakPolarHBondContact O-CB 3.28Å; A737-L741 PolarHBondContact O-N 3.5Å; A737-L795 HydrophobicContact CB-CD1 4.44Å; A737-I798 HydrophobicContact CB-CG2 4.1Å; A737-V799 VanDerWaalsContact C-CG2 3.44Å; A737-V799 HydrophobicContact CB-CG2 3.61Å |
| 738 | S | 96.5 | Very high | 94.3 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 1% | 0.014 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -73.3 | -41.2 | 178.7 | 58.3 | 0 | 0 | 0 | 0 | 112.6 | L734 A735 L740 L741 H742 | L734-S738 WeakPolarHBondContact O-CB 3.42Å; L734-S738 PolarHBondContact O-N 3.43Å; L734-S738 VanDerWaalsContact O-N 3.08Å; L734-S738 PolarHBondContact O-OG 3.32Å; A735-S738 PolarHBondContact O-OG 2.87Å; S738-L740 VanDerWaalsContact C-N 3.28Å; S738-L740 PolarHBondContact O-N 3.24Å; S738-L741 PolarHBondContact O-N 2.93Å; S738-H742 PolarHBondContact O-N 2.89Å |
| 739 | Q | 95.2 | Very high | 94.1 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.009 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.4 | -36.8 | 173.5 | 179 | 62.1 | 97.7 | 0 | 0 | 111.8 | L597 A600 A735 L743 S1142 | L597-Q739 HydrophobicContact CD1-CG 4.32Å; L597-Q739 HydrophobicContact CD2-CB 4.03Å; L597-Q739 HydrophobicContact CD2-CG 4.27Å; A600-Q739 HydrophobicContact CB-CB 4.11Å; A600-Q739 HydrophobicContact CB-CG 4.02Å; A735-Q739 WeakPolarHBondContact O-CB 3.47Å; A735-Q739 PolarHBondContact O-N 3.4Å; Q739-L743 HydrophobicContact CG-CD1 4.16Å; Q739-L743 WeakPolarHBondContact O-CB 3.31Å; Q739-L743 WeakPolarHBondContact O-CD1 3.39Å; Q739-L743 VanDerWaalsContact O-CG 3.22Å; Q739-L743 WeakPolarHBondContact O-CG 3.34Å; Q739-L743 PolarHBondContact O-N 3.37Å; Q739-L743 VanDerWaalsContact O-N 3.09Å; Q739-S1142 PolarHBondContact NE2-OG 3.4Å; Q739-S1142 VanDerWaalsContact OE1-N 3.14Å |
| 740 | L | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -70.4 | -42.1 | 174.8 | -178.5 | 63.9 | 0 | 0 | 0 | 112 | A600 V603 V674 F678 N736 A737 S738 H742 L743 I744 L795 | A600-L740 HydrophobicContact CB-CB 4.13Å; V603-L740 HydrophobicContact CB-CD1 4.1Å; V603-L740 HydrophobicContact CB-CD2 4.41Å; V603-L740 HydrophobicContact CG1-CD1 3.78Å; V603-L740 HydrophobicContact CG1-CD2 3.93Å; V674-L740 HydrophobicContact CG1-CD2 3.85Å; F678-L740 HydrophobicContact CE2-CD2 4.1Å; N736-L740 WeakPolarHBondContact O-CB 3.46Å; N736-L740 PolarHBondContact O-N 2.87Å; A737-L740 PolarHBondContact O-N 3.41Å; S738-L740 VanDerWaalsContact C-N 3.28Å; S738-L740 PolarHBondContact O-N 3.24Å; L740-H742 VanDerWaalsContact C-N 3.33Å; L740-H742 PolarHBondContact O-N 3.4Å; L740-L743 PolarHBondContact O-N 2.87Å; L740-I744 HydrophobicContact CD1-CD1 3.83Å; L740-I744 HydrophobicContact CD1-CG1 4.08Å; L740-I744 HydrophobicContact CD2-CD1 4.35Å; L740-I744 HydrophobicContact CG-CD1 3.79Å; L740-I744 HydrophobicContact CG-CG1 4.36Å; L740-I744 WeakPolarHBondContact O-CB 3.33Å; L740-I744 WeakPolarHBondContact O-CG1 3.35Å; L740-I744 PolarHBondContact O-N 3.09Å; L740-L795 HydrophobicContact CD2-CD2 4.35Å; L740-L795 HydrophobicContact CG-CD2 4.26Å |
| 741 | L | 96.2 | Very high | 93.6 | Very high | 15 Ų | 15 | 13.7 Ų | 13.7 | 8% | 0.079 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.1 | -44 | 176.5 | -179.5 | 61.9 | 0 | 0 | 0 | 111.4 | A737 S738 I744 T745 L795 A796 V799 L1135 | A737-L741 WeakPolarHBondContact O-CB 3.28Å; A737-L741 PolarHBondContact O-N 3.5Å; S738-L741 PolarHBondContact O-N 2.93Å; L741-I744 PolarHBondContact O-N 2.95Å; L741-T745 WeakPolarHBondContact O-CB 3.35Å; L741-T745 PolarHBondContact O-N 2.98Å; L741-T745 PolarHBondContact O-OG1 3.2Å; L741-L795 HydrophobicContact CB-CD2 3.95Å; L741-L795 HydrophobicContact CB-CG 4.12Å; L741-L795 HydrophobicContact CD1-CB 4.23Å; L741-L795 HydrophobicContact CD1-CD2 4.04Å; L741-L795 HydrophobicContact CD1-CG 4.12Å; L741-A796 HydrophobicContact CD2-CB 3.96Å; L741-V799 HydrophobicContact CD2-CG2 4.27Å; L741-L1135 HydrophobicContact CD2-CD1 4.15Å; L741-L1135 HydrophobicContact CD2-CD2 4.3Å |
| 742 | H | 93.9 | Very high | 93.2 | Very high | 15 Ų | 15 | 15.4 Ų | 15.4 | 7% | 0.069 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.8 | -51.1 | 173.9 | -179.2 | 65.2 | 0 | 0 | 0 | 112.1 | S738 L740 I744 T745 C746 Y1140 S1142 D1143 | S738-H742 PolarHBondContact O-N 2.89Å; L740-H742 VanDerWaalsContact C-N 3.33Å; L740-H742 PolarHBondContact O-N 3.4Å; H742-I744 VanDerWaalsContact C-N 3.3Å; H742-I744 PolarHBondContact O-N 3.47Å; H742-T745 PolarHBondContact O-N 3.45Å; H742-C746 VanDerWaalsContact CE1-SG 3.59Å; H742-C746 PolarHBondContact ND1-SG 2.87Å; H742-C746 WeakPolarHBondContact O-CB 3.22Å; H742-C746 PolarHBondContact O-N 3.29Å; H742-Y1140 HydrophobicContact CB-CD1 4.04Å; H742-Y1140 HydrophobicContact CB-CD2 3.82Å; H742-Y1140 HydrophobicContact CB-CE1 4.05Å; H742-Y1140 HydrophobicContact CB-CE2 3.81Å; H742-Y1140 HydrophobicContact CB-CG 3.92Å; H742-Y1140 VanDerWaalsContact CD2-CB 3.46Å; H742-Y1140 WeakPolarHBondContact CD2-CB 3.43Å; H742-Y1140 AromaticContact CD2-CD2 3.43Å; H742-Y1140 VanDerWaalsContact CD2-CD2 3.43Å; H742-Y1140 WeakPolarHBondContact CD2-CD2 3.23Å; H742-Y1140 AromaticContact CD2-CG 3.49Å; H742-Y1140 VanDerWaalsContact CD2-CG 3.49Å; H742-Y1140 AromaticContact CE1-CD2 3.54Å; H742-Y1140 AromaticContact CG-CD2 3.32Å; H742-Y1140 AromaticContact CG-CE2 3.67Å; H742-Y1140 AromaticContact CG-CG 3.67Å; H742-Y1140 AromaticContact ND1-CD2 3.46Å; H742-Y1140 WeakPolarHBondContact ND1-CD2 3.45Å; H742-Y1140 AromaticContact ND1-CE2 3.62Å; H742-Y1140 AromaticContact NE2-CD2 3.55Å; H742-Y1140 AromaticContact NE2-CG 3.94Å; H742-S1142 PolarHBondContact CD2-OG 3.16Å; H742-D1143 IonicContact CD2-OD1 2.77Å; H742-D1143 IonicContact CD2-OD2 3.85Å; H742-D1143 IonicContact CE1-OD2 3.63Å; H742-D1143 VanDerWaalsContact NE2-CG 3.33Å; H742-D1143 IonicContact NE2-OD1 3.53Å; H742-D1143 PolarHBondContact NE2-OD1 3.47Å; H742-D1143 IonicContact NE2-OD2 2.69Å; H742-D1143 PolarHBondContact NE2-OD2 2.97Å |
| 743 | L | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.2 | -42.1 | 178.1 | -75.1 | 166 | 0 | 0 | 0 | 112.1 | M601 Y604 Q739 L740 D747 L1246 | M601-L743 HydrophobicContact SD-CD1 3.87Å; Y604-L743 HydrophobicContact CD1-CD1 4.28Å; Y604-L743 HydrophobicContact CD1-CD2 4.07Å; Y604-L743 HydrophobicContact CD2-CB 3.95Å; Y604-L743 HydrophobicContact CD2-CD2 4.39Å; Y604-L743 HydrophobicContact CE1-CD2 4.05Å; Y604-L743 HydrophobicContact CE2-CB 4.39Å; Y604-L743 HydrophobicContact CE2-CD2 4.38Å; Y604-L743 HydrophobicContact CG-CB 4.21Å; Y604-L743 HydrophobicContact CG-CD1 4.04Å; Y604-L743 HydrophobicContact CG-CD2 4.23Å; Y604-L743 HydrophobicContact CG-CG 4.39Å; Q739-L743 HydrophobicContact CG-CD1 4.16Å; Q739-L743 WeakPolarHBondContact O-CB 3.31Å; Q739-L743 WeakPolarHBondContact O-CD1 3.39Å; Q739-L743 VanDerWaalsContact O-CG 3.22Å; Q739-L743 WeakPolarHBondContact O-CG 3.34Å; Q739-L743 PolarHBondContact O-N 3.37Å; Q739-L743 VanDerWaalsContact O-N 3.09Å; L740-L743 PolarHBondContact O-N 2.87Å; L743-D747 VanDerWaalsContact O-CB 3.27Å; L743-D747 WeakPolarHBondContact O-CB 3.27Å; L743-D747 PolarHBondContact O-N 2.83Å; L743-L1246 HydrophobicContact CD2-CD1 3.96Å; L743-L1246 HydrophobicContact CD2-CD2 4.22Å |
| 744 | I | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -71.8 | -37.7 | 178.4 | -70.2 | 175.6 | 0 | 0 | 0 | 112 | L607 L671 L740 L741 H742 W788 K792 L795 | L607-I744 HydrophobicContact CD1-CD1 3.96Å; L607-I744 HydrophobicContact CD1-CG1 4Å; L671-I744 HydrophobicContact CD1-CD1 3.63Å; L671-I744 HydrophobicContact CD2-CD1 4.38Å; L740-I744 HydrophobicContact CD1-CD1 3.83Å; L740-I744 HydrophobicContact CD1-CG1 4.08Å; L740-I744 HydrophobicContact CD2-CD1 4.35Å; L740-I744 HydrophobicContact CG-CD1 3.79Å; L740-I744 HydrophobicContact CG-CG1 4.36Å; L740-I744 WeakPolarHBondContact O-CB 3.33Å; L740-I744 WeakPolarHBondContact O-CG1 3.35Å; L740-I744 PolarHBondContact O-N 3.09Å; L741-I744 PolarHBondContact O-N 2.95Å; H742-I744 VanDerWaalsContact C-N 3.3Å; H742-I744 PolarHBondContact O-N 3.47Å; I744-W788 HydrophobicContact CG2-CH2 4.06Å; I744-W788 HydrophobicContact CG2-CZ2 3.64Å; I744-K792 HydrophobicContact CG2-CD 4.22Å; I744-K792 HydrophobicContact CG2-CG 4.04Å; I744-L795 HydrophobicContact CD1-CD2 4.21Å |
| 745 | T | 92.4 | Very high | 91.5 | Very high | 63 Ų | 63 | 23.2 Ų | 23.2 | 39% | 0.387 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -77.3 | -35.5 | -174.9 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | L741 H742 N751 | L741-T745 WeakPolarHBondContact O-CB 3.35Å; L741-T745 PolarHBondContact O-N 2.98Å; L741-T745 PolarHBondContact O-OG1 3.2Å; H742-T745 PolarHBondContact O-N 3.45Å; T745-N751 PolarHBondContact O-ND2 3.38Å |
| 746 | C | 90.6 | Very high | 89.8 | Confident | 23 Ų | 23 | 29 Ų | 29 | 16% | 0.155 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -87.7 | -13.1 | 179.4 | -65.7 | 0 | 0 | 0 | 0 | 113.5 | H742 I748 L1246 S1247 | H742-C746 VanDerWaalsContact CE1-SG 3.59Å; H742-C746 PolarHBondContact ND1-SG 2.87Å; H742-C746 WeakPolarHBondContact O-CB 3.22Å; H742-C746 PolarHBondContact O-N 3.29Å; C746-I748 PolarHBondContact O-N 3.18Å; C746-L1246 HydrophobicContact CB-CB 4.05Å; C746-L1246 HydrophobicContact CB-CD2 4.02Å; C746-L1246 HydrophobicContact CB-CG 4.49Å; C746-L1246 CarbonylContact O-C 3.59Å; C746-L1246 VanDerWaalsContact O-CA 3.3Å; C746-L1246 WeakPolarHBondContact O-CA 3.49Å; C746-S1247 PolarHBondContact O-N 2.89Å; C746-S1247 PolarHBondContact O-OG 3.12Å |
| 747 | D | 92.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -66.1 | 119 | 180 | -173.9 | -58.4 | 0 | 0 | 0 | 112.3 | Y604 R608 L743 D749 F750 N751 Y1245 L1246 | Y604-D747 WeakPolarHBondContact CE2-OD2 3.36Å; R608-D747 IonicContact CZ-OD1 3.64Å; R608-D747 IonicContact CZ-OD2 3.93Å; R608-D747 IonicContact NE-OD2 3.84Å; R608-D747 PolarHBondContact NE-OD2 3.34Å; R608-D747 IonicContact NH2-OD1 3.58Å; R608-D747 PolarHBondContact NH2-OD1 2.95Å; R608-D747 IonicContact NH2-OD2 2.88Å; R608-D747 PolarHBondContact NH2-OD2 2.95Å; L743-D747 VanDerWaalsContact O-CB 3.27Å; L743-D747 WeakPolarHBondContact O-CB 3.27Å; L743-D747 PolarHBondContact O-N 2.83Å; D747-D749 PolarHBondContact OD1-N 3.01Å; D747-F750 HydrophobicContact CB-CB 4.14Å; D747-F750 HydrophobicContact CB-CD2 3.38Å; D747-F750 HydrophobicContact CB-CE2 3.8Å; D747-F750 HydrophobicContact CB-CG 3.85Å; D747-F750 WeakPolarHBondContact OD1-CG 3.37Å; D747-F750 PolarHBondContact OD1-N 3.06Å; D747-F750 WeakPolarHBondContact OD2-CE2 3.49Å; D747-N751 WeakPolarHBondContact O-CB 3.39Å; D747-N751 PolarHBondContact O-N 2.87Å; D747-N751 VanDerWaalsContact O-N 3.16Å; D747-N751 PolarHBondContact O-ND2 2.81Å; D747-Y1245 WeakPolarHBondContact CA-O 3.49Å; D747-L1246 HydrophobicContact CB-CD2 4.41Å |
| 748 | I | 89 | Confident | 85.7 | Confident | 89 Ų | 89 | 33.4 Ų | 33.4 | 46% | 0.456 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.2 | -41.2 | -175.4 | -64.2 | 162.4 | 0 | 0 | 0 | 111.8 | C746 A752 Y1245 | C746-I748 PolarHBondContact O-N 3.18Å; I748-A752 WeakPolarHBondContact O-CB 3.5Å; I748-A752 PolarHBondContact O-N 3.42Å; I748-Y1245 WeakPolarHBondContact CG1-O 3.32Å; I748-Y1245 PolarHBondContact N-O 3.23Å |
| 749 | D | 88.4 | Confident | 83.3 | Confident | 45 Ų | 45 | 36.3 Ų | 36.3 | 24% | 0.241 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -78.2 | -33.8 | -174.1 | -59.4 | -49.1 | 0 | 0 | 0 | 111.6 | R608 D747 T753 Y1245 | R608-D749 IonicContact CZ-OD2 2.67Å; R608-D749 IonicContact NH1-OD2 3.61Å; R608-D749 PolarHBondContact NH1-OD2 2.72Å; R608-D749 IonicContact NH2-OD2 2.72Å; R608-D749 PolarHBondContact NH2-OD2 3.06Å; D747-D749 PolarHBondContact OD1-N 3.01Å; D749-T753 VanDerWaalsContact O-CB 3.27Å; D749-T753 WeakPolarHBondContact O-CB 3.4Å; D749-T753 PolarHBondContact O-N 3.06Å; D749-T753 PolarHBondContact O-OG1 3.16Å; D749-Y1245 WeakPolarHBondContact OD2-CD1 3.36Å |
| 750 | F | 91 | Very high | 81.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.1 | -49 | 171.4 | -59.5 | -17.4 | 0 | 0 | 0 | 110.2 | Y604 L607 R608 L667 D747 A752 T753 F754 W788 | Y604-F750 HydrophobicContact CD2-CE2 4.15Å; Y604-F750 HydrophobicContact CD2-CZ 4.36Å; Y604-F750 HydrophobicContact CE2-CE2 4.12Å; Y604-F750 HydrophobicContact CE2-CZ 4.28Å; L607-F750 HydrophobicContact CB-CE1 4.11Å; L607-F750 HydrophobicContact CB-CE2 4.14Å; L607-F750 HydrophobicContact CB-CZ 3.48Å; L607-F750 VanDerWaalsContact CB-CZ 3.48Å; L607-F750 HydrophobicContact CD1-CE2 4.21Å; L607-F750 HydrophobicContact CD1-CZ 4.39Å; L607-F750 HydrophobicContact CG-CZ 4.47Å; R608-F750 HydrophobicContact CG-CZ 4.24Å; L667-F750 HydrophobicContact CD1-CD1 4.22Å; L667-F750 HydrophobicContact CD2-CD1 4.45Å; L667-F750 HydrophobicContact CD2-CE1 4.17Å; D747-F750 HydrophobicContact CB-CB 4.14Å; D747-F750 HydrophobicContact CB-CD2 3.38Å; D747-F750 HydrophobicContact CB-CE2 3.8Å; D747-F750 HydrophobicContact CB-CG 3.85Å; D747-F750 WeakPolarHBondContact OD1-CG 3.37Å; D747-F750 PolarHBondContact OD1-N 3.06Å; D747-F750 WeakPolarHBondContact OD2-CE2 3.49Å; F750-A752 VanDerWaalsContact C-N 3.32Å; F750-A752 PolarHBondContact O-N 3.48Å; F750-T753 WeakPolarHBondContact O-CB 3.39Å; F750-T753 PolarHBondContact O-N 2.9Å; F750-F754 WeakPolarHBondContact O-CD2 3.47Å; F750-F754 PolarHBondContact O-N 3.18Å; F750-W788 HydrophobicContact CB-CH2 4.46Å; F750-W788 HydrophobicContact CB-CZ2 3.82Å; F750-W788 HydrophobicContact CD2-CH2 4.47Å; F750-W788 HydrophobicContact CD2-CZ2 4.32Å; F750-W788 HydrophobicContact CG-CH2 4.49Å; F750-W788 HydrophobicContact CG-CZ2 4.27Å |
| 751 | N | 86.6 | Confident | 78.9 | Confident | 26 Ų | 26 | 44.8 Ų | 44.8 | 14% | 0.139 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -39.2 | 176.9 | -80.2 | -68.8 | 0 | 0 | 0 | 112.3 | T745 D747 K755 | T745-N751 PolarHBondContact O-ND2 3.38Å; D747-N751 WeakPolarHBondContact O-CB 3.39Å; D747-N751 PolarHBondContact O-N 2.87Å; D747-N751 VanDerWaalsContact O-N 3.16Å; D747-N751 PolarHBondContact O-ND2 2.81Å; N751-K755 VanDerWaalsContact O-CB 3.26Å; N751-K755 WeakPolarHBondContact O-CB 3.45Å; N751-K755 WeakPolarHBondContact O-CD 3.35Å; N751-K755 WeakPolarHBondContact O-CG 3.43Å; N751-K755 PolarHBondContact O-N 2.77Å; N751-K755 VanDerWaalsContact O-N 3.16Å |
| 752 | A | 85.6 | Confident | 76.5 | Confident | 37 Ų | 37 | 47.4 Ų | 47.4 | 31% | 0.306 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I748 F750 F754 K755 F756 | I748-A752 WeakPolarHBondContact O-CB 3.5Å; I748-A752 PolarHBondContact O-N 3.42Å; F750-A752 VanDerWaalsContact C-N 3.32Å; F750-A752 PolarHBondContact O-N 3.48Å; A752-F754 PolarHBondContact O-N 2.8Å; A752-F754 VanDerWaalsContact O-N 3.09Å; A752-K755 PolarHBondContact O-N 2.93Å; A752-F756 HydrophobicContact CB-CE2 4.48Å; A752-F756 VanDerWaalsContact O-CD2 3.23Å; A752-F756 WeakPolarHBondContact O-CD2 3.4Å |
| 753 | T | 86.8 | Confident | 73.9 | Confident | 9 Ų | 9 | 53.9 Ų | 53.9 | 6% | 0.055 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.3 | -29.8 | -178.8 | -63.8 | 0 | 0 | 0 | 0 | 113.4 | L660 R663 Q664 L667 D749 F750 | L660-T753 HydrophobicContact CD1-CG2 4.18Å; R663-T753 HydrophobicContact CB-CG2 4.48Å; R663-T753 WeakPolarHBondContact CD-OG1 3.47Å; R663-T753 HydrophobicContact CG-CG2 4.03Å; Q664-T753 HydrophobicContact CG-CG2 3.76Å; Q664-T753 PolarHBondContact NE2-O 3.45Å; L667-T753 HydrophobicContact CD1-CG2 4.14Å; D749-T753 VanDerWaalsContact O-CB 3.27Å; D749-T753 WeakPolarHBondContact O-CB 3.4Å; D749-T753 PolarHBondContact O-N 3.06Å; D749-T753 PolarHBondContact O-OG1 3.16Å; F750-T753 WeakPolarHBondContact O-CB 3.39Å; F750-T753 PolarHBondContact O-N 2.9Å |
| 754 | F | 87.6 | Confident | 71.1 | Confident | 6 Ų | 6 | 62.2 Ų | 62.2 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 7.8 | 179 | -66.3 | -81.4 | 0 | 0 | 0 | 114.6 | Q664 L667 F750 A752 T784 T785 W788 | Q664-F754 HydrophobicContact CB-CE1 3.73Å; Q664-F754 HydrophobicContact CB-CZ 4.03Å; Q664-F754 HydrophobicContact CG-CD1 3.98Å; Q664-F754 HydrophobicContact CG-CE1 3.66Å; Q664-F754 HydrophobicContact CG-CZ 4.1Å; L667-F754 HydrophobicContact CB-CE2 4.26Å; L667-F754 HydrophobicContact CB-CZ 4.27Å; L667-F754 HydrophobicContact CD1-CE2 4.12Å; F750-F754 WeakPolarHBondContact O-CD2 3.47Å; F750-F754 PolarHBondContact O-N 3.18Å; A752-F754 PolarHBondContact O-N 2.8Å; A752-F754 VanDerWaalsContact O-N 3.09Å; F754-T784 WeakPolarHBondContact CD1-O 3.18Å; F754-T785 WeakPolarHBondContact O-CB 3.36Å; F754-T785 WeakPolarHBondContact O-CG2 3.41Å; F754-T785 PolarHBondContact O-OG1 3.47Å; F754-W788 HydrophobicContact CB-CB 4.23Å; F754-W788 HydrophobicContact CB-CG 4.04Å; F754-W788 HydrophobicContact CD1-CB 3.59Å; F754-W788 HydrophobicContact CD1-CD2 4.47Å; F754-W788 AromaticContact CD1-CG 3.93Å; F754-W788 HydrophobicContact CD1-CG 3.93Å; F754-W788 HydrophobicContact CD2-CB 4.1Å; F754-W788 AromaticContact CD2-CD1 3.68Å; F754-W788 AromaticContact CD2-CD2 3.43Å; F754-W788 HydrophobicContact CD2-CD2 3.43Å; F754-W788 VanDerWaalsContact CD2-CD2 3.43Å; F754-W788 AromaticContact CD2-CE2 3.65Å; F754-W788 AromaticContact CD2-CE3 3.97Å; F754-W788 HydrophobicContact CD2-CE3 3.97Å; F754-W788 AromaticContact CD2-CG 3.47Å; F754-W788 HydrophobicContact CD2-CG 3.47Å; F754-W788 VanDerWaalsContact CD2-CG 3.47Å; F754-W788 HydrophobicContact CD2-CZ2 4.32Å; F754-W788 AromaticContact CD2-NE1 3.76Å; F754-W788 HydrophobicContact CE1-CB 3.85Å; F754-W788 HydrophobicContact CE1-CD2 4.38Å; F754-W788 HydrophobicContact CE1-CE3 4.35Å; F754-W788 HydrophobicContact CE1-CG 4.2Å; F754-W788 HydrophobicContact CE2-CB 4.34Å; F754-W788 AromaticContact CE2-CD2 3.35Å; F754-W788 HydrophobicContact CE2-CD2 3.35Å; F754-W788 AromaticContact CE2-CE2 3.79Å; F754-W788 AromaticContact CE2-CE3 3.34Å; F754-W788 HydrophobicContact CE2-CE3 3.34Å; F754-W788 AromaticContact CE2-CG 3.81Å; F754-W788 HydrophobicContact CE2-CG 3.81Å; F754-W788 HydrophobicContact CE2-CH2 4.19Å; F754-W788 HydrophobicContact CE2-CZ2 4.2Å; F754-W788 AromaticContact CE2-CZ3 3.78Å; F754-W788 HydrophobicContact CE2-CZ3 3.78Å; F754-W788 HydrophobicContact CG-CB 3.72Å; F754-W788 AromaticContact CG-CD1 3.75Å; F754-W788 HydrophobicContact CG-CD2 4.02Å; F754-W788 AromaticContact CG-CG 3.54Å; F754-W788 HydrophobicContact CG-CG 3.54Å; F754-W788 HydrophobicContact CZ-CB 4.22Å; F754-W788 AromaticContact CZ-CD2 3.85Å; F754-W788 HydrophobicContact CZ-CD2 3.85Å; F754-W788 AromaticContact CZ-CE3 3.56Å; F754-W788 HydrophobicContact CZ-CE3 3.56Å; F754-W788 HydrophobicContact CZ-CG 4.15Å; F754-W788 HydrophobicContact CZ-CZ3 4.19Å |
| 755 | K | 77 | Confident | 68.4 | Low | 155 Ų | 155 | 65.5 Ų | 65.5 | 67% | 0.674 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -22.2 | 176.4 | -86.9 | 174.7 | -177.8 | -179.2 | 0 | 115 | N751 A752 P757 | N751-K755 VanDerWaalsContact O-CB 3.26Å; N751-K755 WeakPolarHBondContact O-CB 3.45Å; N751-K755 WeakPolarHBondContact O-CD 3.35Å; N751-K755 WeakPolarHBondContact O-CG 3.43Å; N751-K755 PolarHBondContact O-N 2.77Å; N751-K755 VanDerWaalsContact O-N 3.16Å; A752-K755 PolarHBondContact O-N 2.93Å; K755-P757 VanDerWaalsContact O-CD 3.31Å; K755-P757 WeakPolarHBondContact O-CD 3.25Å |
| 756 | F | 59.9 | Low | 65.6 | Low | 122 Ų | 122 | 67.8 Ų | 67.8 | 54% | 0.535 | 36% | 0.355 | S | S | . | . | trans | -72.9 | 119.8 | -175 | -79.2 | -75.6 | 0 | 0 | 0 | 113.4 | A752 | A752-F756 HydrophobicContact CB-CE2 4.48Å; A752-F756 VanDerWaalsContact O-CD2 3.23Å; A752-F756 WeakPolarHBondContact O-CD2 3.4Å | ||
| 757 | P | 53.4 | Low | 63.2 | Low | 82 Ų | 82 | 76.6 Ų | 76.6 | 53% | 0.532 | 39% | 0.386 | S | S | . | . | trans | -75.6 | 133.6 | 162.8 | -5.1 | 24.3 | 0 | 0 | 0 | 109.3 | K755 D759 | K755-P757 VanDerWaalsContact O-CD 3.31Å; K755-P757 WeakPolarHBondContact O-CD 3.25Å; P757-D759 PolarHBondContact O-N 3.14Å | ||
| 758 | V | 52.2 | Low | 60.5 | Low | 11 Ų | 11 | 81.2 Ų | 81.2 | 7% | 0.067 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -12.7 | -177.1 | 171.9 | 0 | 0 | 0 | 0 | 112.8 | L657 E760 L761 C762 N781 | L657-V758 HydrophobicContact CD1-CB 4.31Å; L657-V758 HydrophobicContact CD1-CG1 3.64Å; L657-V758 HydrophobicContact CD1-CG2 3.6Å; L657-V758 HydrophobicContact CD2-CG1 3.94Å; L657-V758 HydrophobicContact CG-CG1 4.45Å; V758-E760 PolarHBondContact O-N 2.81Å; V758-L761 WeakPolarHBondContact O-CB 3.21Å; V758-L761 PolarHBondContact O-N 3.4Å; V758-C762 PolarHBondContact O-N 3.37Å; V758-N781 HydrophobicContact CG2-CB 4.2Å; V758-N781 VanDerWaalsContact CG2-CG 3.49Å |
| 759 | D | 47.6 | Very low | 58.1 | Low | 62 Ų | 62 | 86.3 Ų | 86.3 | 33% | 0.332 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -56.3 | -41.4 | -179.7 | -64 | -79.5 | 0 | 0 | 0 | 113.9 | P757 L761 C762 Q763 K778 | P757-D759 PolarHBondContact O-N 3.14Å; D759-L761 PolarHBondContact O-N 2.84Å; D759-C762 PolarHBondContact O-N 3.35Å; D759-Q763 WeakPolarHBondContact O-CG 3.23Å; D759-Q763 PolarHBondContact O-N 3.39Å; D759-K778 WeakPolarHBondContact OD1-CE 3.4Å; D759-K778 IonicContact OD1-NZ 2.8Å; D759-K778 PolarHBondContact OD1-NZ 3.12Å |
| 760 | E | 48.2 | Very low | 55.5 | Low | 103 Ų | 103 | 91 Ų | 91 | 48% | 0.481 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.3 | -23.9 | 176.4 | -75.2 | -172.2 | 155.6 | 0 | 0 | 112.5 | V758 W764 S1479 | V758-E760 PolarHBondContact O-N 2.81Å; E760-W764 VanDerWaalsContact O-CD1 3.28Å; E760-W764 PolarHBondContact O-NE1 2.85Å; E760-S1479 PolarHBondContact OE1-OG 3.03Å |
| 761 | L | 50.7 | Low | 53.2 | Low | 77 Ų | 77 | 98.9 Ų | 98.9 | 40% | 0.403 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -88.6 | -27.6 | 179.2 | -144.2 | 77.4 | 0 | 0 | 0 | 112.9 | L657 V758 D759 | L657-L761 HydrophobicContact CB-CD2 4.2Å; V758-L761 WeakPolarHBondContact O-CB 3.21Å; V758-L761 PolarHBondContact O-N 3.4Å; D759-L761 PolarHBondContact O-N 2.84Å |
| 762 | C | 44.6 | Very low | 51.1 | Low | 71 Ų | 71 | 104.8 Ų | 104.8 | 48% | 0.48 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -83.5 | -22.8 | 179.7 | -71.5 | 0 | 0 | 0 | 0 | 113.8 | V758 D759 W764 | V758-C762 PolarHBondContact O-N 3.37Å; D759-C762 PolarHBondContact O-N 3.35Å; C762-W764 PolarHBondContact O-N 2.89Å |
| 763 | Q | 40.5 | Very low | 49.2 | Very low | 150 Ų | 150 | 109.5 Ų | 109.5 | 70% | 0.701 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -4.6 | 178.8 | -77.2 | 176.4 | -12.3 | 0 | 0 | 114.9 | D759 S765 | D759-Q763 WeakPolarHBondContact O-CG 3.23Å; D759-Q763 PolarHBondContact O-N 3.39Å; Q763-S765 PolarHBondContact O-N 3.22Å |
| 764 | W | 34.9 | Very low | 47.1 | Very low | 175 Ų | 175 | 115.1 Ų | 115.1 | 66% | 0.663 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 23 | -174.5 | -71.5 | 58.2 | 0 | 0 | 0 | 114.2 | E760 C762 | E760-W764 VanDerWaalsContact O-CD1 3.28Å; E760-W764 PolarHBondContact O-NE1 2.85Å; C762-W764 PolarHBondContact O-N 2.89Å |
| 765 | S | 35.9 | Very low | 45.1 | Very low | 69 Ų | 69 | 121.4 Ų | 121.4 | 48% | 0.483 | 62% | 0.615 | S | S | . | * | trans | -106.9 | 108.3 | 171 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | Q763 Y767 | Q763-S765 PolarHBondContact O-N 3.22Å; S765-Y767 PolarHBondContact O-N 2.94Å | ||
| 766 | P | 35.3 | Very low | 43.6 | Very low | 111 Ų | 111 | 118.7 Ų | 118.7 | 72% | 0.721 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -76.5 | 2.1 | 177.9 | -17.5 | 32.6 | 0 | 0 | 0 | 115.1 | ||
| 767 | Y | 39.1 | Very low | 43.2 | Very low | 208 Ų | 208 | 115.6 Ų | 115.6 | 82% | 0.816 | 60% | 0.602 | S | S | * | * | trans | -145.3 | 89.4 | -175.4 | -73.5 | -86.6 | 0 | 0 | 0 | 112 | S765 | S765-Y767 PolarHBondContact O-N 2.94Š| ||
| 768 | S | 36.5 | Very low | 42.9 | Very low | 98 Ų | 98 | 117.2 Ų | 117.2 | 69% | 0.685 | 60% | 0.601 | S | S | * | * | trans | -127.3 | 108.3 | 154.2 | 55.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 769 | F | 38.4 | Very low | 42.7 | Very low | 196 Ų | 196 | 119.8 Ų | 119.8 | 86% | 0.86 | 62% | 0.619 | S | S | * | * | trans | -64.3 | 159 | 165.1 | -108.2 | -109.6 | 0 | 0 | 0 | 109.5 | H771 | F769-H771 PolarHBondContact O-N 3.18Š| ||
| 770 | D | 34.3 | Very low | 43 | Very low | 142 Ų | 142 | 118.6 Ų | 118.6 | 76% | 0.759 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -57.6 | 126.9 | -174.3 | -45.5 | -92.1 | 0 | 0 | 0 | 112.9 | ||
| 771 | H | 42.3 | Very low | 43.4 | Very low | 166 Ų | 166 | 114.4 Ų | 114.4 | 77% | 0.769 | 60% | 0.597 | S | S | * | * | trans | -176.5 | 88 | 150 | -96.4 | -53.1 | 0 | 0 | 0 | 112.7 | F769 D773 | F769-H771 PolarHBondContact O-N 3.18Å; H771-D773 PolarHBondContact O-N 3.33Å | ||
| 772 | D | 41.9 | Very low | 43.9 | Very low | 151 Ų | 151 | 115.5 Ų | 115.5 | 81% | 0.807 | 60% | 0.602 | S | S | * | * | S | Bend | trans | 40.3 | -17 | 142.6 | -55.9 | -37.9 | 0 | 0 | 0 | 125.8 | N774 | D772-N774 PolarHBondContact O-N 3.31Š|
| 773 | D | 45.5 | Very low | 45.3 | Very low | 135 Ų | 135 | 115 Ų | 115 | 72% | 0.722 | 60% | 0.597 | S | S | * | * | trans | -86.8 | 3.4 | -169.3 | -84.3 | -41.4 | 0 | 0 | 0 | 116.7 | H771 N775 T776 | H771-D773 PolarHBondContact O-N 3.33Å; D773-N775 VanDerWaalsContact C-N 3.27Å; D773-N775 PolarHBondContact O-N 3.39Å; D773-T776 PolarHBondContact O-OG1 2.81Å | ||
| 774 | N | 43.7 | Very low | 47.2 | Very low | 127 Ų | 127 | 108.9 Ų | 108.9 | 68% | 0.679 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -4.7 | -164.6 | -79.6 | -44.2 | 0 | 0 | 0 | 117.4 | D772 T776 | D772-N774 PolarHBondContact O-N 3.31Å; N774-T776 VanDerWaalsContact C-N 3.34Å; N774-T776 PolarHBondContact O-N 3.34Å |
| 775 | N | 45.2 | Very low | 49.4 | Very low | 139 Ų | 139 | 102.6 Ų | 102.6 | 74% | 0.743 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -73.5 | -21.1 | -178.6 | -82.4 | -29.7 | 0 | 0 | 0 | 114.3 | D773 V777 | D773-N775 VanDerWaalsContact C-N 3.27Å; D773-N775 PolarHBondContact O-N 3.39Å; N775-V777 PolarHBondContact O-N 2.69Å |
| 776 | T | 46.3 | Very low | 51.7 | Low | 98 Ų | 98 | 101.5 Ų | 101.5 | 60% | 0.601 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -73.2 | -26.5 | -173 | 54 | 0 | 0 | 0 | 0 | 114.4 | D773 N774 S779 | D773-T776 PolarHBondContact O-OG1 2.81Å; N774-T776 VanDerWaalsContact C-N 3.34Å; N774-T776 PolarHBondContact O-N 3.34Å; T776-S779 PolarHBondContact O-OG 2.98Å; T776-S779 VanDerWaalsContact O-OG 3.13Å |
| 777 | V | 49.8 | Very low | 54.3 | Low | 57 Ų | 57 | 97.2 Ų | 97.2 | 35% | 0.345 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -81.4 | -39.6 | -176.2 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | N775 S780 N781 | N775-V777 PolarHBondContact O-N 2.69Å; V777-S780 PolarHBondContact O-N 3.47Å; V777-S780 PolarHBondContact O-OG 3.32Å; V777-N781 PolarHBondContact O-ND2 3.18Å |
| 778 | K | 47.3 | Very low | 56.8 | Low | 116 Ų | 116 | 87.4 Ų | 87.4 | 50% | 0.504 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | -176.5 | -66 | -170 | -176.3 | -119.1 | 0 | 112.7 | D759 S780 | D759-K778 WeakPolarHBondContact OD1-CE 3.4Å; D759-K778 IonicContact OD1-NZ 2.8Å; D759-K778 PolarHBondContact OD1-NZ 3.12Å; K778-S780 VanDerWaalsContact C-N 3.3Å; K778-S780 PolarHBondContact O-N 3.35Å |
| 779 | S | 48.9 | Very low | 59.4 | Low | 64 Ų | 64 | 85.7 Ų | 85.7 | 45% | 0.448 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.9 | -42.9 | 177.3 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | T776 N781 I782 T783 | T776-S779 PolarHBondContact O-OG 2.98Å; T776-S779 VanDerWaalsContact O-OG 3.13Å; S779-N781 PolarHBondContact O-N 3.43Å; S779-I782 PolarHBondContact O-N 3.37Å; S779-T783 PolarHBondContact O-N 3.47Å; S779-T783 PolarHBondContact O-OG1 2.99Å |
| 780 | S | 54.5 | Low | 61.9 | Low | 37 Ų | 37 | 78.8 Ų | 78.8 | 26% | 0.259 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.3 | -12.5 | -172.6 | 73.6 | 0 | 0 | 0 | 0 | 116.8 | K661 V777 K778 T783 | K661-S780 PolarHBondContact NZ-OG 3.05Å; V777-S780 PolarHBondContact O-N 3.47Å; V777-S780 PolarHBondContact O-OG 3.32Å; K778-S780 VanDerWaalsContact C-N 3.3Å; K778-S780 PolarHBondContact O-N 3.35Å; S780-T783 PolarHBondContact O-OG1 2.95Å |
| 781 | N | 55.6 | Low | 64.7 | Low | 15 Ų | 15 | 72.4 Ų | 72.4 | 8% | 0.08 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -112.1 | -28.4 | 179.4 | -48.3 | -71.8 | 0 | 0 | 0 | 112.3 | K661 V758 V777 S779 T783 T784 T785 | K661-N781 VanDerWaalsContact CE-OD1 3.26Å; K661-N781 WeakPolarHBondContact CE-OD1 3.32Å; V758-N781 HydrophobicContact CG2-CB 4.2Å; V758-N781 VanDerWaalsContact CG2-CG 3.49Å; V777-N781 PolarHBondContact O-ND2 3.18Å; S779-N781 PolarHBondContact O-N 3.43Å; N781-T783 PolarHBondContact O-N 2.91Å; N781-T784 PolarHBondContact O-N 3.16Å; N781-T784 PolarHBondContact O-OG1 3.32Å; N781-T785 PolarHBondContact O-N 3.41Å |
| 782 | I | 61.5 | Low | 67.1 | Low | 101 Ų | 101 | 66 Ų | 66 | 52% | 0.518 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 170.9 | -62.7 | 172.9 | 0 | 0 | 0 | 109.4 | S779 T786 F1736 | S779-I782 PolarHBondContact O-N 3.37Å; I782-T786 HydrophobicContact CG2-CG2 4.5Å; I782-T786 WeakPolarHBondContact O-CB 3.46Å; I782-T786 WeakPolarHBondContact O-CG2 3.47Å; I782-T786 PolarHBondContact O-N 3.49Å; I782-T786 PolarHBondContact O-OG1 3.03Å; I782-F1736 HydrophobicContact CG2-CZ 4.18Å |
| 783 | T | 73.4 | Confident | 69.6 | Low | 61 Ų | 61 | 64.7 Ų | 64.7 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 174.8 | 50.4 | 0 | 0 | 0 | 0 | 112.9 | S779 S780 N781 T786 S787 | S779-T783 PolarHBondContact O-N 3.47Å; S779-T783 PolarHBondContact O-OG1 2.99Å; S780-T783 PolarHBondContact O-OG1 2.95Å; N781-T783 PolarHBondContact O-N 2.91Å; T783-T786 WeakPolarHBondContact CA-OG1 3.43Å; T783-T786 PolarHBondContact O-N 3.06Å; T783-T786 PolarHBondContact O-OG1 3.47Å; T783-S787 WeakPolarHBondContact O-CB 3.49Å; T783-S787 PolarHBondContact O-N 2.65Å; T783-S787 PolarHBondContact O-OG 3.07Å |
| 784 | T | 80.2 | Confident | 71.9 | Confident | 21 Ų | 21 | 59.1 Ų | 59.1 | 13% | 0.129 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.8 | -37.2 | -177.8 | 57.9 | 0 | 0 | 0 | 0 | 113.2 | Q664 F754 N781 W788 | Q664-T784 PolarHBondContact OE1-OG1 3.18Å; F754-T784 WeakPolarHBondContact CD1-O 3.18Å; N781-T784 PolarHBondContact O-N 3.16Å; N781-T784 PolarHBondContact O-OG1 3.32Å; T784-W788 WeakPolarHBondContact O-CB 3.44Å; T784-W788 PolarHBondContact O-N 3.12Å |
| 785 | T | 81.9 | Confident | 74.4 | Confident | 42 Ų | 42 | 53.1 Ų | 53.1 | 26% | 0.258 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.8 | -41.3 | 173.5 | -63.9 | 0 | 0 | 0 | 0 | 112.3 | F754 N781 W788 N789 | F754-T785 WeakPolarHBondContact O-CB 3.36Å; F754-T785 WeakPolarHBondContact O-CG2 3.41Å; F754-T785 PolarHBondContact O-OG1 3.47Å; N781-T785 PolarHBondContact O-N 3.41Å; T785-W788 PolarHBondContact O-N 3.15Å; T785-N789 PolarHBondContact O-N 3.39Å; T785-N789 PolarHBondContact O-ND2 3.43Å |
| 786 | T | 84.3 | Confident | 76.8 | Confident | 47 Ų | 47 | 47.6 Ų | 47.6 | 29% | 0.288 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.6 | -47.7 | 176.9 | 45.8 | 0 | 0 | 0 | 0 | 111.3 | I782 T783 W788 N789 Q790 F1736 | I782-T786 HydrophobicContact CG2-CG2 4.5Å; I782-T786 WeakPolarHBondContact O-CB 3.46Å; I782-T786 WeakPolarHBondContact O-CG2 3.47Å; I782-T786 PolarHBondContact O-N 3.49Å; I782-T786 PolarHBondContact O-OG1 3.03Å; T783-T786 WeakPolarHBondContact CA-OG1 3.43Å; T783-T786 PolarHBondContact O-N 3.06Å; T783-T786 PolarHBondContact O-OG1 3.47Å; T786-W788 VanDerWaalsContact C-N 3.31Å; T786-W788 PolarHBondContact O-N 3.16Å; T786-N789 PolarHBondContact O-N 2.94Å; T786-N789 VanDerWaalsContact O-N 3.14Å; T786-Q790 WeakPolarHBondContact O-CB 3.33Å; T786-Q790 PolarHBondContact O-N 3.47Å; T786-F1736 HydrophobicContact CG2-CD2 4.32Å; T786-F1736 HydrophobicContact CG2-CE2 3.68Å; T786-F1736 HydrophobicContact CG2-CZ 4.04Å |
| 787 | S | 88.9 | Confident | 79.1 | Confident | 20 Ų | 20 | 45.5 Ų | 45.5 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.4 | -40.4 | 174.4 | -60.6 | 0 | 0 | 0 | 0 | 112.8 | T783 N789 Q790 L791 | T783-S787 WeakPolarHBondContact O-CB 3.49Å; T783-S787 PolarHBondContact O-N 2.65Å; T783-S787 PolarHBondContact O-OG 3.07Å; S787-N789 PolarHBondContact O-N 2.74Å; S787-Q790 PolarHBondContact O-N 3.34Å; S787-L791 WeakPolarHBondContact O-CG 3.5Å; S787-L791 PolarHBondContact O-N 3.01Å |
| 788 | W | 92.1 | Very high | 81.2 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65 | -37.2 | 177.5 | -179.8 | -103.8 | 0 | 0 | 0 | 113.2 | L667 L668 L671 I744 F750 F754 T784 T785 T786 K792 | L667-W788 HydrophobicContact CB-CZ3 4.21Å; L668-W788 HydrophobicContact CD1-CB 4.44Å; L668-W788 HydrophobicContact CD1-CE3 4.34Å; L671-W788 HydrophobicContact CB-CZ3 4.31Å; L671-W788 HydrophobicContact CD2-CE3 3.94Å; L671-W788 HydrophobicContact CD2-CH2 3.98Å; L671-W788 HydrophobicContact CD2-CZ3 3.56Å; I744-W788 HydrophobicContact CG2-CH2 4.06Å; I744-W788 HydrophobicContact CG2-CZ2 3.64Å; F750-W788 HydrophobicContact CB-CH2 4.46Å; F750-W788 HydrophobicContact CB-CZ2 3.82Å; F750-W788 HydrophobicContact CD2-CH2 4.47Å; F750-W788 HydrophobicContact CD2-CZ2 4.32Å; F750-W788 HydrophobicContact CG-CH2 4.49Å; F750-W788 HydrophobicContact CG-CZ2 4.27Å; F754-W788 HydrophobicContact CB-CB 4.23Å; F754-W788 HydrophobicContact CB-CG 4.04Å; F754-W788 HydrophobicContact CD1-CB 3.59Å; F754-W788 HydrophobicContact CD1-CD2 4.47Å; F754-W788 AromaticContact CD1-CG 3.93Å; F754-W788 HydrophobicContact CD1-CG 3.93Å; F754-W788 HydrophobicContact CD2-CB 4.1Å; F754-W788 AromaticContact CD2-CD1 3.68Å; F754-W788 AromaticContact CD2-CD2 3.43Å; F754-W788 HydrophobicContact CD2-CD2 3.43Å; F754-W788 VanDerWaalsContact CD2-CD2 3.43Å; F754-W788 AromaticContact CD2-CE2 3.65Å; F754-W788 AromaticContact CD2-CE3 3.97Å; F754-W788 HydrophobicContact CD2-CE3 3.97Å; F754-W788 AromaticContact CD2-CG 3.47Å; F754-W788 HydrophobicContact CD2-CG 3.47Å; F754-W788 VanDerWaalsContact CD2-CG 3.47Å; F754-W788 HydrophobicContact CD2-CZ2 4.32Å; F754-W788 AromaticContact CD2-NE1 3.76Å; F754-W788 HydrophobicContact CE1-CB 3.85Å; F754-W788 HydrophobicContact CE1-CD2 4.38Å; F754-W788 HydrophobicContact CE1-CE3 4.35Å; F754-W788 HydrophobicContact CE1-CG 4.2Å; F754-W788 HydrophobicContact CE2-CB 4.34Å; F754-W788 AromaticContact CE2-CD2 3.35Å; F754-W788 HydrophobicContact CE2-CD2 3.35Å; F754-W788 AromaticContact CE2-CE2 3.79Å; F754-W788 AromaticContact CE2-CE3 3.34Å; F754-W788 HydrophobicContact CE2-CE3 3.34Å; F754-W788 AromaticContact CE2-CG 3.81Å; F754-W788 HydrophobicContact CE2-CG 3.81Å; F754-W788 HydrophobicContact CE2-CH2 4.19Å; F754-W788 HydrophobicContact CE2-CZ2 4.2Å; F754-W788 AromaticContact CE2-CZ3 3.78Å; F754-W788 HydrophobicContact CE2-CZ3 3.78Å; F754-W788 HydrophobicContact CG-CB 3.72Å; F754-W788 AromaticContact CG-CD1 3.75Å; F754-W788 HydrophobicContact CG-CD2 4.02Å; F754-W788 AromaticContact CG-CG 3.54Å; F754-W788 HydrophobicContact CG-CG 3.54Å; F754-W788 HydrophobicContact CZ-CB 4.22Å; F754-W788 AromaticContact CZ-CD2 3.85Å; F754-W788 HydrophobicContact CZ-CD2 3.85Å; F754-W788 AromaticContact CZ-CE3 3.56Å; F754-W788 HydrophobicContact CZ-CE3 3.56Å; F754-W788 HydrophobicContact CZ-CG 4.15Å; F754-W788 HydrophobicContact CZ-CZ3 4.19Å; T784-W788 WeakPolarHBondContact O-CB 3.44Å; T784-W788 PolarHBondContact O-N 3.12Å; T785-W788 PolarHBondContact O-N 3.15Å; T786-W788 VanDerWaalsContact C-N 3.31Å; T786-W788 PolarHBondContact O-N 3.16Å; W788-K792 PolarHBondContact O-N 3.03Å |
| 789 | N | 90.6 | Very high | 83.6 | Confident | 62 Ų | 62 | 37.3 Ų | 37.3 | 33% | 0.332 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.4 | -44 | 174.2 | -69.3 | -33.1 | 0 | 0 | 0 | 111.5 | T785 T786 S787 L791 K792 E793 | T785-N789 PolarHBondContact O-N 3.39Å; T785-N789 PolarHBondContact O-ND2 3.43Å; T786-N789 PolarHBondContact O-N 2.94Å; T786-N789 VanDerWaalsContact O-N 3.14Å; S787-N789 PolarHBondContact O-N 2.74Å; N789-L791 VanDerWaalsContact C-N 3.31Å; N789-L791 PolarHBondContact O-N 3.23Å; N789-K792 WeakPolarHBondContact O-CA 3.39Å; N789-K792 WeakPolarHBondContact O-CB 3.41Å; N789-K792 PolarHBondContact O-N 2.76Å; N789-K792 WeakPolarHBondContact OD1-CE 3.16Å; N789-K792 PolarHBondContact OD1-NZ 3.13Å; N789-E793 WeakPolarHBondContact O-CG 3.1Å; N789-E793 PolarHBondContact O-N 3.02Å |
| 790 | Q | 91.7 | Very high | 85.8 | Confident | 51 Ų | 51 | 38 Ų | 38 | 24% | 0.238 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.3 | -39.6 | 174.9 | -174.4 | -175 | -3.5 | 0 | 0 | 112.7 | T786 S787 E793 Q794 D1646 | T786-Q790 WeakPolarHBondContact O-CB 3.33Å; T786-Q790 PolarHBondContact O-N 3.47Å; S787-Q790 PolarHBondContact O-N 3.34Å; Q790-E793 PolarHBondContact O-N 2.66Å; Q790-Q794 WeakPolarHBondContact O-CB 3.28Å; Q790-Q794 WeakPolarHBondContact O-CG 3.21Å; Q790-Q794 PolarHBondContact O-N 3.4Å; Q790-D1646 PolarHBondContact NE2-OD2 3.26Å |
| 791 | L | 93.2 | Very high | 87.7 | Confident | 8 Ų | 8 | 37.1 Ų | 37.1 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.2 | -33.9 | 174.4 | -67.9 | -163 | 0 | 0 | 0 | 112.7 | L668 L671 M672 I675 S787 N789 Q794 L795 | L668-L791 HydrophobicContact CD1-CD1 3.63Å; L668-L791 HydrophobicContact CD1-CG 4.18Å; L668-L791 HydrophobicContact CG-CD1 4.17Å; L671-L791 HydrophobicContact CB-CD1 3.97Å; L671-L791 HydrophobicContact CD2-CB 3.72Å; L671-L791 HydrophobicContact CD2-CD1 4.03Å; L671-L791 HydrophobicContact CG-CB 4.11Å; L671-L791 HydrophobicContact CG-CD1 3.86Å; M672-L791 HydrophobicContact CB-CD1 4.31Å; M672-L791 HydrophobicContact SD-CD1 4.4Å; M672-L791 HydrophobicContact SD-CD2 3.66Å; I675-L791 HydrophobicContact CD1-CB 3.68Å; I675-L791 HydrophobicContact CD1-CD1 4.34Å; I675-L791 HydrophobicContact CD1-CD2 3.94Å; I675-L791 HydrophobicContact CD1-CG 4.17Å; I675-L791 WeakPolarHBondContact CD1-O 3.44Å; S787-L791 WeakPolarHBondContact O-CG 3.5Å; S787-L791 PolarHBondContact O-N 3.01Å; N789-L791 VanDerWaalsContact C-N 3.31Å; N789-L791 PolarHBondContact O-N 3.23Å; L791-Q794 VanDerWaalsContact CD2-OE1 3.3Å; L791-L795 WeakPolarHBondContact O-CB 3.34Å; L791-L795 PolarHBondContact O-N 3.04Å |
| 792 | K | 93.4 | Very high | 89.6 | Confident | 33 Ų | 33 | 36.4 Ų | 36.4 | 14% | 0.143 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.2 | -39.1 | 171.7 | -70.7 | 179.6 | -67 | 169.2 | 0 | 111.6 | I744 W788 N789 L795 A796 | I744-K792 HydrophobicContact CG2-CD 4.22Å; I744-K792 HydrophobicContact CG2-CG 4.04Å; W788-K792 PolarHBondContact O-N 3.03Å; N789-K792 WeakPolarHBondContact O-CA 3.39Å; N789-K792 WeakPolarHBondContact O-CB 3.41Å; N789-K792 PolarHBondContact O-N 2.76Å; N789-K792 WeakPolarHBondContact OD1-CE 3.16Å; N789-K792 PolarHBondContact OD1-NZ 3.13Å; K792-L795 PolarHBondContact O-N 2.88Å; K792-A796 PolarHBondContact O-N 2.91Å |
| 793 | E | 93.6 | Very high | 91.3 | Very high | 123 Ų | 123 | 31.9 Ų | 31.9 | 58% | 0.575 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -64.8 | -44 | 175.8 | -72.4 | 161.6 | -157.6 | 0 | 0 | 111.3 | N789 Q790 L795 A796 E797 | N789-E793 WeakPolarHBondContact O-CG 3.1Å; N789-E793 PolarHBondContact O-N 3.02Å; Q790-E793 PolarHBondContact O-N 2.66Å; E793-L795 VanDerWaalsContact C-N 3.33Å; E793-L795 PolarHBondContact O-N 3.16Å; E793-A796 CarbonylContact O-C 3.59Å; E793-A796 WeakPolarHBondContact O-CA 3.31Å; E793-A796 WeakPolarHBondContact O-CB 3.39Å; E793-A796 PolarHBondContact O-N 3.48Å; E793-A796 VanDerWaalsContact O-N 3.12Å; E793-E797 PolarHBondContact O-N 2.82Å |
| 794 | Q | 94.1 | Very high | 92.3 | Very high | 17 Ų | 17 | 31 Ų | 31 | 8% | 0.079 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.6 | -38.6 | 171.7 | -74.7 | 175.3 | -14 | 0 | 0 | 112.6 | I675 Q790 L791 A796 E797 I798 L1643 | I675-Q794 HydrophobicContact CG2-CB 4.46Å; Q790-Q794 WeakPolarHBondContact O-CB 3.28Å; Q790-Q794 WeakPolarHBondContact O-CG 3.21Å; Q790-Q794 PolarHBondContact O-N 3.4Å; L791-Q794 VanDerWaalsContact CD2-OE1 3.3Å; Q794-A796 VanDerWaalsContact C-N 3.33Å; Q794-E797 PolarHBondContact O-N 2.81Å; Q794-I798 WeakPolarHBondContact O-CG1 3.46Å; Q794-I798 PolarHBondContact O-N 3.34Å; Q794-L1643 VanDerWaalsContact OE1-CD2 3.31Å |
| 795 | L | 95.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.3 | -33.7 | 174.1 | -175.4 | 60.5 | 0 | 0 | 0 | 112 | F678 A737 L740 L741 I744 L791 K792 E793 I798 V799 | F678-L795 HydrophobicContact CD2-CD1 4.19Å; F678-L795 HydrophobicContact CE2-CD1 4.13Å; A737-L795 HydrophobicContact CB-CD1 4.44Å; L740-L795 HydrophobicContact CD2-CD2 4.35Å; L740-L795 HydrophobicContact CG-CD2 4.26Å; L741-L795 HydrophobicContact CB-CD2 3.95Å; L741-L795 HydrophobicContact CB-CG 4.12Å; L741-L795 HydrophobicContact CD1-CB 4.23Å; L741-L795 HydrophobicContact CD1-CD2 4.04Å; L741-L795 HydrophobicContact CD1-CG 4.12Å; I744-L795 HydrophobicContact CD1-CD2 4.21Å; L791-L795 WeakPolarHBondContact O-CB 3.34Å; L791-L795 PolarHBondContact O-N 3.04Å; K792-L795 PolarHBondContact O-N 2.88Å; E793-L795 VanDerWaalsContact C-N 3.33Å; E793-L795 PolarHBondContact O-N 3.16Å; L795-I798 WeakPolarHBondContact O-CB 3.34Å; L795-I798 PolarHBondContact O-N 3.42Å; L795-V799 WeakPolarHBondContact O-CG2 3.38Å; L795-V799 PolarHBondContact O-N 3.18Å |
| 796 | A | 95.4 | Very high | 93.5 | Very high | 23 Ų | 23 | 28.1 Ų | 28.1 | 19% | 0.19 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.4 | -42.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L741 K792 E793 Q794 I798 V799 Q800 L1135 | L741-A796 HydrophobicContact CD2-CB 3.96Å; K792-A796 PolarHBondContact O-N 2.91Å; E793-A796 CarbonylContact O-C 3.59Å; E793-A796 WeakPolarHBondContact O-CA 3.31Å; E793-A796 WeakPolarHBondContact O-CB 3.39Å; E793-A796 PolarHBondContact O-N 3.48Å; E793-A796 VanDerWaalsContact O-N 3.12Å; Q794-A796 VanDerWaalsContact C-N 3.33Å; A796-I798 VanDerWaalsContact C-N 3.29Å; A796-I798 PolarHBondContact O-N 3.12Å; A796-V799 PolarHBondContact O-N 3.03Å; A796-Q800 PolarHBondContact O-N 2.88Å; A796-L1135 HydrophobicContact CB-CD1 4.07Å |
| 797 | E | 94.3 | Very high | 94 | Very high | 55 Ų | 55 | 26.3 Ų | 26.3 | 26% | 0.257 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -59.1 | -38.9 | 171.4 | -78.1 | -171.8 | -127.6 | 0 | 0 | 111.9 | E793 Q794 T801 R1639 | E793-E797 PolarHBondContact O-N 2.82Å; Q794-E797 PolarHBondContact O-N 2.81Å; E797-T801 VanDerWaalsContact O-CB 3.23Å; E797-T801 WeakPolarHBondContact O-CB 3.29Å; E797-T801 PolarHBondContact O-N 3.35Å; E797-T801 PolarHBondContact O-OG1 2.85Å; E797-R1639 IonicContact OE2-CZ 2.77Å; E797-R1639 IonicContact OE2-NE 3.4Å; E797-R1639 PolarHBondContact OE2-NE 2.9Å; E797-R1639 IonicContact OE2-NH2 2.86Å; E797-R1639 PolarHBondContact OE2-NH2 3.13Å |
| 798 | I | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 173.8 | -77.1 | 161.2 | 0 | 0 | 0 | 110.9 | I675 F678 W733 A737 Q794 L795 A796 T801 A802 | I675-I798 HydrophobicContact CB-CD1 4.49Å; I675-I798 HydrophobicContact CG1-CD1 4.48Å; I675-I798 HydrophobicContact CG2-CD1 3.96Å; F678-I798 HydrophobicContact CB-CD1 3.88Å; F678-I798 HydrophobicContact CB-CG1 4.44Å; F678-I798 HydrophobicContact CB-CG2 3.9Å; F678-I798 HydrophobicContact CG-CG2 4.18Å; W733-I798 HydrophobicContact CZ2-CG2 4.06Å; A737-I798 HydrophobicContact CB-CG2 4.1Å; Q794-I798 WeakPolarHBondContact O-CG1 3.46Å; Q794-I798 PolarHBondContact O-N 3.34Å; L795-I798 WeakPolarHBondContact O-CB 3.34Å; L795-I798 PolarHBondContact O-N 3.42Å; A796-I798 VanDerWaalsContact C-N 3.29Å; A796-I798 PolarHBondContact O-N 3.12Å; I798-T801 PolarHBondContact O-N 2.84Å; I798-A802 WeakPolarHBondContact O-CB 3.39Å; I798-A802 PolarHBondContact O-N 2.93Å |
| 799 | V | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.6 | -44.1 | 177.7 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | L734 A737 L741 L795 A796 F803 F922 F1133 L1135 | L734-V799 HydrophobicContact CD1-CG1 4.04Å; L734-V799 WeakPolarHBondContact CD1-O 3.38Å; A737-V799 VanDerWaalsContact C-CG2 3.44Å; A737-V799 HydrophobicContact CB-CG2 3.61Å; L741-V799 HydrophobicContact CD2-CG2 4.27Å; L795-V799 WeakPolarHBondContact O-CG2 3.38Å; L795-V799 PolarHBondContact O-N 3.18Å; A796-V799 PolarHBondContact O-N 3.03Å; V799-F803 PolarHBondContact O-N 3.06Å; V799-F922 HydrophobicContact CG1-CE1 4.49Å; V799-F922 HydrophobicContact CG1-CZ 3.82Å; V799-F1133 HydrophobicContact CG1-CZ 4.17Å; V799-L1135 HydrophobicContact CB-CD2 4.34Å; V799-L1135 HydrophobicContact CG1-CD2 3.64Å |
| 800 | Q | 95.6 | Very high | 94.2 | Very high | 79 Ų | 79 | 24.4 Ų | 24.4 | 37% | 0.369 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -61.8 | -46 | 173.4 | -176.9 | 177.5 | 5.6 | 0 | 0 | 111.6 | A796 A802 F803 V804 F1133 | A796-Q800 PolarHBondContact O-N 2.88Å; Q800-A802 VanDerWaalsContact C-N 3.34Å; Q800-A802 PolarHBondContact O-N 3.19Å; Q800-F803 PolarHBondContact O-N 3.44Å; Q800-V804 WeakPolarHBondContact O-CG2 3.3Å; Q800-V804 PolarHBondContact O-N 3.28Å; Q800-F1133 HydrophobicContact CB-CD1 3.74Å; Q800-F1133 HydrophobicContact CB-CE1 3.57Å; Q800-F1133 HydrophobicContact CB-CG 4.45Å; Q800-F1133 HydrophobicContact CB-CZ 4.18Å; Q800-F1133 HydrophobicContact CG-CB 4.36Å; Q800-F1133 HydrophobicContact CG-CD1 3.59Å; Q800-F1133 HydrophobicContact CG-CE1 3.97Å; Q800-F1133 HydrophobicContact CG-CG 3.92Å |
| 801 | T | 94.1 | Very high | 94.2 | Very high | 18 Ų | 18 | 23 Ų | 23 | 11% | 0.11 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63 | -41.2 | -178.8 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | E682 W733 E797 I798 V804 Y805 R1639 | E682-T801 HydrophobicContact CG-CG2 4.3Å; W733-T801 HydrophobicContact CH2-CG2 4.39Å; E797-T801 VanDerWaalsContact O-CB 3.23Å; E797-T801 WeakPolarHBondContact O-CB 3.29Å; E797-T801 PolarHBondContact O-N 3.35Å; E797-T801 PolarHBondContact O-OG1 2.85Å; I798-T801 PolarHBondContact O-N 2.84Å; T801-V804 PolarHBondContact O-N 3.41Å; T801-Y805 HydrophobicContact CG2-CD2 3.76Å; T801-Y805 HydrophobicContact CG2-CE2 3.57Å; T801-Y805 VanDerWaalsContact O-CD2 3.27Å; T801-Y805 WeakPolarHBondContact O-CD2 3.49Å; T801-Y805 PolarHBondContact O-N 3.41Å; T801-R1639 PolarHBondContact OG1-NH1 3.31Å |
| 802 | A | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.1 | -42.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V730 W733 L734 I798 Q800 L806 | V730-A802 VanDerWaalsContact CG1-O 3.3Å; V730-A802 WeakPolarHBondContact CG1-O 3.23Å; W733-A802 HydrophobicContact CD2-CB 3.6Å; W733-A802 HydrophobicContact CE3-CB 3.65Å; W733-A802 HydrophobicContact CG-CB 4.18Å; W733-A802 HydrophobicContact CH2-CB 4.07Å; W733-A802 HydrophobicContact CZ2-CB 4.02Å; W733-A802 HydrophobicContact CZ3-CB 3.9Å; L734-A802 HydrophobicContact CB-CB 4.14Å; L734-A802 HydrophobicContact CD1-CB 4.29Å; I798-A802 WeakPolarHBondContact O-CB 3.39Å; I798-A802 PolarHBondContact O-N 2.93Å; Q800-A802 VanDerWaalsContact C-N 3.34Å; Q800-A802 PolarHBondContact O-N 3.19Å; A802-L806 WeakPolarHBondContact O-CB 3.39Å; A802-L806 PolarHBondContact O-N 3.39Å |
| 803 | F | 96.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 3% | 0.026 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.3 | -44.4 | 176.1 | 177.7 | -90.7 | 0 | 0 | 0 | 112.1 | L734 V799 Q800 L806 A807 F922 Q925 L926 F1133 | L734-F803 HydrophobicContact CD1-CB 4.05Å; L734-F803 HydrophobicContact CD2-CB 4.41Å; L734-F803 HydrophobicContact CD2-CD2 4.16Å; V799-F803 PolarHBondContact O-N 3.06Å; Q800-F803 PolarHBondContact O-N 3.44Å; F803-L806 WeakPolarHBondContact O-CB 3.44Å; F803-L806 PolarHBondContact O-N 3.37Å; F803-A807 PolarHBondContact O-N 3.11Å; F803-F922 HydrophobicContact CD2-CB 4.41Å; F803-F922 HydrophobicContact CD2-CD1 4.06Å; F803-F922 HydrophobicContact CE2-CB 4.46Å; F803-F922 HydrophobicContact CE2-CD1 4.48Å; F803-Q925 HydrophobicContact CE2-CB 3.9Å; F803-Q925 HydrophobicContact CZ-CB 3.67Å; F803-L926 HydrophobicContact CE2-CB 4.03Å; F803-L926 HydrophobicContact CZ-CB 4.32Å; F803-F1133 HydrophobicContact CB-CD2 4.3Å; F803-F1133 HydrophobicContact CB-CE2 3.58Å; F803-F1133 HydrophobicContact CB-CZ 4.21Å; F803-F1133 AromaticContact CD1-CD2 3.66Å; F803-F1133 HydrophobicContact CD1-CD2 3.66Å; F803-F1133 AromaticContact CD1-CE2 3.74Å; F803-F1133 HydrophobicContact CD1-CE2 3.74Å; F803-F1133 HydrophobicContact CD2-CE2 4.09Å; F803-F1133 HydrophobicContact CE1-CD2 4.18Å; F803-F1133 HydrophobicContact CE1-CE2 4.5Å; F803-F1133 AromaticContact CG-CD2 3.96Å; F803-F1133 HydrophobicContact CG-CD2 3.96Å; F803-F1133 AromaticContact CG-CE2 3.51Å; F803-F1133 HydrophobicContact CG-CE2 3.51Å |
| 804 | V | 93.9 | Very high | 93.6 | Very high | 42 Ų | 42 | 17.3 Ų | 17.3 | 26% | 0.255 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -69.3 | -41.1 | -179.2 | -176.3 | 0 | 0 | 0 | 0 | 111.2 | Q800 T801 L806 A807 D808 | Q800-V804 WeakPolarHBondContact O-CG2 3.3Å; Q800-V804 PolarHBondContact O-N 3.28Å; T801-V804 PolarHBondContact O-N 3.41Å; V804-L806 VanDerWaalsContact C-N 3.26Å; V804-L806 PolarHBondContact O-N 2.96Å; V804-A807 PolarHBondContact O-N 2.91Å; V804-A807 VanDerWaalsContact O-N 3.16Å; V804-D808 WeakPolarHBondContact O-CB 3.4Å; V804-D808 PolarHBondContact O-N 3.14Å |
| 805 | Y | 93.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.5 | -36 | 171.5 | -82.3 | -59.7 | 0 | 0 | 0 | 112.7 | E682 V685 I689 W733 T801 L809 | E682-Y805 HydrophobicContact CG-CE2 4.05Å; V685-Y805 HydrophobicContact CG1-CD1 4.33Å; V685-Y805 HydrophobicContact CG1-CG 4.19Å; I689-Y805 HydrophobicContact CD1-CD1 3.55Å; I689-Y805 HydrophobicContact CD1-CE1 3.81Å; W733-Y805 HydrophobicContact CH2-CD2 4.24Å; W733-Y805 HydrophobicContact CZ3-CD2 4.1Å; T801-Y805 HydrophobicContact CG2-CD2 3.76Å; T801-Y805 HydrophobicContact CG2-CE2 3.57Å; T801-Y805 VanDerWaalsContact O-CD2 3.27Å; T801-Y805 WeakPolarHBondContact O-CD2 3.49Å; T801-Y805 PolarHBondContact O-N 3.41Å; Y805-L809 WeakPolarHBondContact O-CB 3.47Å; Y805-L809 WeakPolarHBondContact O-CD1 3.47Å; Y805-L809 VanDerWaalsContact O-CG 3.28Å; Y805-L809 WeakPolarHBondContact O-CG 3.29Å; Y805-L809 PolarHBondContact O-N 3.04Å |
| 806 | L | 95.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.3 | -39.3 | 175.3 | -175.3 | 59.6 | 0 | 0 | 0 | 112.2 | I727 V730 T731 L734 A802 F803 V804 C810 L913 L926 | I727-L806 HydrophobicContact CG2-CD1 4.06Å; V730-L806 HydrophobicContact CG1-CB 3.84Å; T731-L806 WeakPolarHBondContact OG1-CD1 3.3Å; L734-L806 HydrophobicContact CD2-CD2 3.82Å; A802-L806 WeakPolarHBondContact O-CB 3.39Å; A802-L806 PolarHBondContact O-N 3.39Å; F803-L806 WeakPolarHBondContact O-CB 3.44Å; F803-L806 PolarHBondContact O-N 3.37Å; V804-L806 VanDerWaalsContact C-N 3.26Å; V804-L806 PolarHBondContact O-N 2.96Å; L806-C810 WeakPolarHBondContact O-CB 3.38Å; L806-C810 PolarHBondContact O-N 3.35Å; L806-C810 PolarHBondContact O-SG 2.81Å; L806-L913 HydrophobicContact CD2-CD2 4.09Å; L806-L926 HydrophobicContact CD2-CD2 3.97Å; L806-L926 HydrophobicContact CG-CD2 4Å |
| 807 | A | 94.1 | Very high | 92.4 | Very high | 8 Ų | 8 | 19.8 Ų | 19.8 | 7% | 0.066 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.4 | -49.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F803 V804 L809 C810 V811 L926 | F803-A807 PolarHBondContact O-N 3.11Å; V804-A807 PolarHBondContact O-N 2.91Å; V804-A807 VanDerWaalsContact O-N 3.16Å; A807-L809 VanDerWaalsContact C-N 3.33Å; A807-L809 PolarHBondContact O-N 2.99Å; A807-C810 PolarHBondContact O-N 3.47Å; A807-V811 WeakPolarHBondContact O-CB 3.45Å; A807-V811 WeakPolarHBondContact O-CG2 3.4Å; A807-V811 PolarHBondContact O-N 3.05Å; A807-L926 HydrophobicContact CB-CD1 3.92Å |
| 808 | D | 91 | Very high | 92 | Very high | 43 Ų | 43 | 17.1 Ų | 17.1 | 23% | 0.23 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -54 | -48.1 | 176.9 | -65.7 | -24.8 | 0 | 0 | 0 | 110.6 | V804 V811 L812 R1632 | V804-D808 WeakPolarHBondContact O-CB 3.4Å; V804-D808 PolarHBondContact O-N 3.14Å; D808-V811 PolarHBondContact O-N 2.84Å; D808-L812 WeakPolarHBondContact O-CB 3.49Å; D808-L812 VanDerWaalsContact O-CG 3.31Å; D808-L812 WeakPolarHBondContact O-CG 3.46Å; D808-L812 PolarHBondContact O-N 3.02Å; D808-R1632 IonicContact OD1-NH2 3.39Å; D808-R1632 IonicContact OD2-CZ 3.3Å; D808-R1632 IonicContact OD2-NH1 2.64Å; D808-R1632 PolarHBondContact OD2-NH1 2.84Å; D808-R1632 IonicContact OD2-NH2 2.96Å; D808-R1632 PolarHBondContact OD2-NH2 3.39Å |
| 809 | L | 91.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.1 | -44.7 | 178.2 | -79 | 167.9 | 0 | 0 | 0 | 113.6 | I689 F723 L726 I727 V730 Y805 A807 L812 R813 | I689-L809 HydrophobicContact CD1-CG 4.48Å; I689-L809 HydrophobicContact CG1-CD2 4.14Å; F723-L809 HydrophobicContact CD1-CD2 4.02Å; F723-L809 HydrophobicContact CE1-CD2 4.09Å; L726-L809 HydrophobicContact CD2-CD1 4.04Å; L726-L809 HydrophobicContact CD2-CD2 3.93Å; L726-L809 HydrophobicContact CG-CD1 3.84Å; L726-L809 HydrophobicContact CG-CD2 4.46Å; I727-L809 HydrophobicContact CG1-CB 4.11Å; V730-L809 HydrophobicContact CG2-CD1 3.94Å; Y805-L809 WeakPolarHBondContact O-CB 3.47Å; Y805-L809 WeakPolarHBondContact O-CD1 3.47Å; Y805-L809 VanDerWaalsContact O-CG 3.28Å; Y805-L809 WeakPolarHBondContact O-CG 3.29Å; Y805-L809 PolarHBondContact O-N 3.04Å; A807-L809 VanDerWaalsContact C-N 3.33Å; A807-L809 PolarHBondContact O-N 2.99Å; L809-L812 PolarHBondContact O-N 2.9Å; L809-R813 PolarHBondContact O-N 2.96Å |
| 810 | C | 93.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.7 | -35.9 | 179.1 | -66.9 | 0 | 0 | 0 | 0 | 111.5 | L806 A807 L814 I909 L926 L930 | L806-C810 WeakPolarHBondContact O-CB 3.38Å; L806-C810 PolarHBondContact O-N 3.35Å; L806-C810 PolarHBondContact O-SG 2.81Å; A807-C810 PolarHBondContact O-N 3.47Å; C810-L814 VanDerWaalsContact O-CB 3.32Å; C810-L814 WeakPolarHBondContact O-CB 3.15Å; C810-L814 PolarHBondContact O-N 3.49Å; C810-I909 HydrophobicContact CB-CD1 4.08Å; C810-L926 HydrophobicContact CB-CD1 4.46Å; C810-L930 HydrophobicContact CB-CD1 4.08Å; C810-L930 HydrophobicContact CB-CD2 3.65Å; C810-L930 HydrophobicContact CB-CG 4.4Å |
| 811 | V | 91.9 | Very high | 90.7 | Very high | 21 Ų | 21 | 18.4 Ų | 18.4 | 13% | 0.127 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.6 | -45.3 | 173.5 | 162.6 | 0 | 0 | 0 | 0 | 111.2 | A807 D808 R813 L814 D815 L930 R933 | A807-V811 WeakPolarHBondContact O-CB 3.45Å; A807-V811 WeakPolarHBondContact O-CG2 3.4Å; A807-V811 PolarHBondContact O-N 3.05Å; D808-V811 PolarHBondContact O-N 2.84Å; V811-R813 PolarHBondContact O-N 3.21Å; V811-L814 WeakPolarHBondContact O-CB 3.46Å; V811-L814 PolarHBondContact O-N 3.03Å; V811-D815 WeakPolarHBondContact O-CB 3.41Å; V811-D815 PolarHBondContact O-N 3.13Å; V811-L930 HydrophobicContact CG2-CD2 3.93Å; V811-R933 HydrophobicContact CG1-CG 4.09Å; V811-R933 HydrophobicContact CG2-CG 4.47Å |
| 812 | L | 88.7 | Confident | 90.5 | Very high | 40 Ų | 40 | 17.8 Ų | 17.8 | 21% | 0.209 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.2 | -46.3 | 175.1 | -77.4 | 167.8 | 0 | 0 | 0 | 111.8 | F723 D808 L809 L814 D815 L816 Y1629 | F723-L812 HydrophobicContact CE1-CB 4.08Å; F723-L812 HydrophobicContact CZ-CB 4.41Å; D808-L812 WeakPolarHBondContact O-CB 3.49Å; D808-L812 VanDerWaalsContact O-CG 3.31Å; D808-L812 WeakPolarHBondContact O-CG 3.46Å; D808-L812 PolarHBondContact O-N 3.02Å; L809-L812 PolarHBondContact O-N 2.9Å; L812-L814 VanDerWaalsContact C-N 3.28Å; L812-L814 PolarHBondContact O-N 3.42Å; L812-D815 PolarHBondContact O-N 3.5Å; L812-L816 HydrophobicContact CB-CD1 4.45Å; L812-L816 VanDerWaalsContact O-CB 3.25Å; L812-L816 WeakPolarHBondContact O-CB 3.31Å; L812-L816 VanDerWaalsContact O-CG 3.25Å; L812-L816 WeakPolarHBondContact O-CG 3.37Å; L812-L816 PolarHBondContact O-N 2.88Å; L812-Y1629 WeakPolarHBondContact CD1-OH 3.28Å |
| 813 | R | 88.8 | Confident | 90.2 | Very high | 3 Ų | 3 | 19 Ų | 19 | 1% | 0.011 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.4 | -34.8 | 177 | -165.1 | -178.3 | -178.5 | -143.8 | -4.9 | 112.2 | D720 F723 I724 L809 V811 I817 A818 I905 E908 | D720-R813 VanDerWaalsContact CG-NH2 3.26Å; D720-R813 IonicContact OD1-CZ 2.64Å; D720-R813 IonicContact OD1-NE 2.72Å; D720-R813 PolarHBondContact OD1-NE 2.8Å; D720-R813 IonicContact OD1-NH2 2.78Å; D720-R813 PolarHBondContact OD1-NH2 2.88Å; D720-R813 IonicContact OD2-NH2 2.66Å; D720-R813 PolarHBondContact OD2-NH2 3.12Å; F723-R813 HydrophobicContact CB-CG 4.44Å; I724-R813 VanDerWaalsContact CG1-CZ 3.5Å; L809-R813 PolarHBondContact O-N 2.96Å; V811-R813 PolarHBondContact O-N 3.21Å; R813-I817 HydrophobicContact CG-CD1 4.11Å; R813-I817 WeakPolarHBondContact O-CB 3.47Å; R813-I817 PolarHBondContact O-N 3.24Å; R813-A818 PolarHBondContact O-N 3.36Å; R813-I905 HydrophobicContact CG-CG2 4.46Å; R813-E908 IonicContact CZ-OE2 3.2Å; R813-E908 IonicContact NH1-OE2 3.75Å; R813-E908 PolarHBondContact NH1-OE2 3.45Å; R813-E908 IonicContact NH2-OE2 3.51Å; R813-E908 PolarHBondContact NH2-OE2 3.05Å |
| 814 | L | 90.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -68.2 | -48.4 | 176 | -165.8 | 81.2 | 0 | 0 | 0 | 111.7 | C810 V811 L812 A818 I819 L906 L930 R933 L934 | C810-L814 VanDerWaalsContact O-CB 3.32Å; C810-L814 WeakPolarHBondContact O-CB 3.15Å; C810-L814 PolarHBondContact O-N 3.49Å; V811-L814 WeakPolarHBondContact O-CB 3.46Å; V811-L814 PolarHBondContact O-N 3.03Å; L812-L814 VanDerWaalsContact C-N 3.28Å; L812-L814 PolarHBondContact O-N 3.42Å; L814-A818 HydrophobicContact CD1-CB 3.82Å; L814-A818 HydrophobicContact CG-CB 4.33Å; L814-A818 WeakPolarHBondContact O-CB 3.29Å; L814-A818 PolarHBondContact O-N 3.45Å; L814-A818 VanDerWaalsContact O-N 3.11Å; L814-I819 HydrophobicContact CD2-CD1 3.91Å; L814-I819 HydrophobicContact CG-CD1 3.83Å; L814-I819 HydrophobicContact CG-CG1 4.16Å; L814-I819 WeakPolarHBondContact O-CG1 3.4Å; L814-I819 PolarHBondContact O-N 3.25Å; L814-L906 HydrophobicContact CD1-CD2 4.2Å; L814-L930 HydrophobicContact CD2-CD2 4.47Å; L814-R933 HydrophobicContact CD2-CB 4.1Å; L814-R933 HydrophobicContact CD2-CG 4.18Å; L814-L934 HydrophobicContact CD2-CB 4.34Å |
| 815 | D | 88.7 | Confident | 89.2 | Confident | 22 Ų | 22 | 20.7 Ų | 20.7 | 12% | 0.118 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -67.5 | -41.1 | 180 | -84.1 | -12.7 | 0 | 0 | 0 | 112.5 | V811 L812 P820 R933 R937 | V811-D815 WeakPolarHBondContact O-CB 3.41Å; V811-D815 PolarHBondContact O-N 3.13Å; L812-D815 PolarHBondContact O-N 3.5Å; D815-P820 WeakPolarHBondContact O-CD 3.23Å; D815-P820 VanDerWaalsContact O-CG 3.32Å; D815-P820 WeakPolarHBondContact O-CG 3.23Å; D815-R933 IonicContact OD1-NE 3.5Å; D815-R933 PolarHBondContact OD1-NE 3.29Å; D815-R933 IonicContact OD2-CZ 3.28Å; D815-R933 VanDerWaalsContact OD2-CZ 3.3Å; D815-R933 IonicContact OD2-NE 3.99Å; D815-R933 PolarHBondContact OD2-NE 3.36Å; D815-R933 IonicContact OD2-NH2 2.78Å; D815-R933 PolarHBondContact OD2-NH2 2.92Å; D815-R937 VanDerWaalsContact CG-NE 3.35Å; D815-R937 IonicContact OD1-CZ 3.3Å; D815-R937 IonicContact OD1-NE 4Å; D815-R937 PolarHBondContact OD1-NE 3.17Å; D815-R937 IonicContact OD1-NH2 3.08Å; D815-R937 IonicContact OD2-CZ 3.89Å; D815-R937 IonicContact OD2-NE 2.81Å; D815-R937 PolarHBondContact OD2-NE 3.29Å; D815-R937 IonicContact OD2-NH2 2.93Å; D815-R937 PolarHBondContact OD2-NH2 3.47Å |
| 816 | L | 84.8 | Confident | 88.9 | Confident | 58 Ų | 58 | 20.7 Ų | 20.7 | 30% | 0.304 | 11% | 0.111 | S | C | . | . | I | π-helix | trans | -81 | -31.6 | -175.5 | -68.2 | 168.7 | 0 | 0 | 0 | 113.8 | L694 F723 L812 | L694-L816 HydrophobicContact CD2-CD1 4.09Å; F723-L816 HydrophobicContact CE2-CD1 4.21Å; F723-L816 HydrophobicContact CZ-CD1 3.93Å; L812-L816 HydrophobicContact CB-CD1 4.45Å; L812-L816 VanDerWaalsContact O-CB 3.25Å; L812-L816 WeakPolarHBondContact O-CB 3.31Å; L812-L816 VanDerWaalsContact O-CG 3.25Å; L812-L816 WeakPolarHBondContact O-CG 3.37Å; L812-L816 PolarHBondContact O-N 2.88Å |
| 817 | I | 85.1 | Confident | 88.5 | Confident | 13 Ų | 13 | 22.4 Ų | 22.4 | 7% | 0.067 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -120.5 | -54.1 | -171.1 | -50 | -179.6 | 0 | 0 | 0 | 111.4 | D720 R813 Q821 I905 | D720-I817 HydrophobicContact CB-CD1 3.97Å; D720-I817 WeakPolarHBondContact OD1-CD1 3.3Å; R813-I817 HydrophobicContact CG-CD1 4.11Å; R813-I817 WeakPolarHBondContact O-CB 3.47Å; R813-I817 PolarHBondContact O-N 3.24Å; I817-Q821 WeakPolarHBondContact O-CB 3.17Å; I817-Q821 WeakPolarHBondContact O-CG 3.37Å; I817-I905 HydrophobicContact CB-CD1 4.18Å; I817-I905 HydrophobicContact CG2-CD1 3.87Å |
| 818 | A | 86.6 | Confident | 88 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -75.2 | -37.3 | -165.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R813 L814 L822 T902 I905 | R813-A818 PolarHBondContact O-N 3.36Å; L814-A818 HydrophobicContact CD1-CB 3.82Å; L814-A818 HydrophobicContact CG-CB 4.33Å; L814-A818 WeakPolarHBondContact O-CB 3.29Å; L814-A818 PolarHBondContact O-N 3.45Å; L814-A818 VanDerWaalsContact O-N 3.11Å; A818-L822 VanDerWaalsContact O-CB 3.3Å; A818-L822 WeakPolarHBondContact O-CB 3.49Å; A818-L822 PolarHBondContact O-N 3.01Å; A818-T902 HydrophobicContact CB-CG2 4.18Å; A818-T902 PolarHBondContact O-OG1 3.31Å; A818-T902 VanDerWaalsContact O-OG1 3.11Å; A818-I905 HydrophobicContact CB-CD1 3.81Å |
| 819 | I | 89.7 | Confident | 87.6 | Confident | 7 Ų | 7 | 24.6 Ų | 24.6 | 4% | 0.036 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -80.7 | -47.4 | -176.5 | -71.5 | 167.6 | 0 | 0 | 0 | 112.5 | L814 Q821 L822 L823 L934 R937 | L814-I819 HydrophobicContact CD2-CD1 3.91Å; L814-I819 HydrophobicContact CG-CD1 3.83Å; L814-I819 HydrophobicContact CG-CG1 4.16Å; L814-I819 WeakPolarHBondContact O-CG1 3.4Å; L814-I819 PolarHBondContact O-N 3.25Å; I819-Q821 VanDerWaalsContact C-N 3.27Å; I819-Q821 PolarHBondContact O-N 3.26Å; I819-L822 WeakPolarHBondContact O-CB 3.45Å; I819-L822 PolarHBondContact O-N 2.72Å; I819-L822 VanDerWaalsContact O-N 3.11Å; I819-L823 HydrophobicContact CG2-CD1 3.93Å; I819-L823 HydrophobicContact CG2-CG 4.28Å; I819-L823 WeakPolarHBondContact O-CG 3.37Å; I819-L823 PolarHBondContact O-N 3.02Å; I819-L934 HydrophobicContact CD1-CD1 4.47Å; I819-L934 HydrophobicContact CG1-CD1 4.12Å; I819-R937 HydrophobicContact CD1-CB 3.87Å; I819-R937 HydrophobicContact CD1-CG 3.9Å; I819-R937 HydrophobicContact CG2-CB 4.28Å |
| 820 | P | 87.2 | Confident | 87.3 | Confident | 53 Ų | 53 | 25 Ų | 25 | 34% | 0.344 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -58.8 | -39.1 | 177.4 | -26.3 | 35.8 | 0 | 0 | 0 | 112.4 | D815 L824 | D815-P820 WeakPolarHBondContact O-CD 3.23Å; D815-P820 VanDerWaalsContact O-CG 3.32Å; D815-P820 WeakPolarHBondContact O-CG 3.23Å; P820-L824 VanDerWaalsContact O-CB 3.3Å; P820-L824 WeakPolarHBondContact O-CB 3.19Å; P820-L824 PolarHBondContact O-N 3.14Å |
| 821 | Q | 84.3 | Confident | 86.8 | Confident | 46 Ų | 46 | 30.1 Ų | 30.1 | 22% | 0.215 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.6 | -34 | 177.5 | -64 | 178.9 | 14.6 | 0 | 0 | 112.7 | I817 I819 Y825 I901 | I817-Q821 WeakPolarHBondContact O-CB 3.17Å; I817-Q821 WeakPolarHBondContact O-CG 3.37Å; I819-Q821 VanDerWaalsContact C-N 3.27Å; I819-Q821 PolarHBondContact O-N 3.26Å; Q821-Y825 VanDerWaalsContact O-CB 3.29Å; Q821-Y825 WeakPolarHBondContact O-CB 3.38Å; Q821-Y825 PolarHBondContact O-N 2.9Å; Q821-I901 VanDerWaalsContact OE1-CG2 3.3Å |
| 822 | L | 89.1 | Confident | 86.2 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.4 | -46.1 | 172.2 | 176.4 | 60.7 | 0 | 0 | 0 | 111.7 | A818 I819 L824 Y825 L826 T902 L934 L938 W970 | A818-L822 VanDerWaalsContact O-CB 3.3Å; A818-L822 WeakPolarHBondContact O-CB 3.49Å; A818-L822 PolarHBondContact O-N 3.01Å; I819-L822 WeakPolarHBondContact O-CB 3.45Å; I819-L822 PolarHBondContact O-N 2.72Å; I819-L822 VanDerWaalsContact O-N 3.11Å; L822-L824 VanDerWaalsContact C-N 3.35Å; L822-L824 PolarHBondContact O-N 3.32Å; L822-Y825 WeakPolarHBondContact O-CB 3.28Å; L822-Y825 PolarHBondContact O-N 3.38Å; L822-Y825 VanDerWaalsContact O-N 3.15Å; L822-L826 HydrophobicContact CD1-CD1 4.03Å; L822-L826 HydrophobicContact CD1-CG 4.08Å; L822-L826 HydrophobicContact CG-CD1 4.04Å; L822-L826 HydrophobicContact CG-CG 4.48Å; L822-L826 WeakPolarHBondContact O-CG 3.27Å; L822-L826 PolarHBondContact O-N 3.47Å; L822-T902 HydrophobicContact CD2-CG2 4.4Å; L822-L934 HydrophobicContact CD2-CD1 4.03Å; L822-L938 HydrophobicContact CD2-CD1 4.13Å; L822-L938 HydrophobicContact CD2-CD2 4.03Å; L822-W970 HydrophobicContact CD1-CD2 3.94Å; L822-W970 HydrophobicContact CD1-CE3 4.47Å; L822-W970 HydrophobicContact CD1-CG 4.38Å; L822-W970 HydrophobicContact CD1-CH2 4.31Å; L822-W970 HydrophobicContact CD1-CZ2 3.77Å; L822-W970 HydrophobicContact CD2-CE3 4.33Å; L822-W970 HydrophobicContact CD2-CH2 3.37Å; L822-W970 HydrophobicContact CD2-CZ2 3.6Å; L822-W970 HydrophobicContact CD2-CZ3 3.78Å; L822-W970 HydrophobicContact CG-CH2 4.49Å; L822-W970 HydrophobicContact CG-CZ2 4.35Å |
| 823 | L | 89.6 | Confident | 85.7 | Confident | 25 Ų | 25 | 32.9 Ų | 32.9 | 13% | 0.131 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.8 | -42.7 | 177.4 | -70.3 | 175.9 | 0 | 0 | 0 | 111.6 | I819 Y825 L826 T827 L938 F941 | I819-L823 HydrophobicContact CG2-CD1 3.93Å; I819-L823 HydrophobicContact CG2-CG 4.28Å; I819-L823 WeakPolarHBondContact O-CG 3.37Å; I819-L823 PolarHBondContact O-N 3.02Å; L823-Y825 VanDerWaalsContact C-N 3.35Å; L823-Y825 PolarHBondContact O-N 3.06Å; L823-L826 PolarHBondContact O-N 3.34Å; L823-T827 VanDerWaalsContact O-CB 3.31Å; L823-T827 WeakPolarHBondContact O-CB 3.5Å; L823-T827 PolarHBondContact O-N 3.44Å; L823-T827 PolarHBondContact O-OG1 3.48Å; L823-L938 HydrophobicContact CD2-CD2 3.63Å; L823-L938 HydrophobicContact CG-CD2 4.35Å; L823-F941 HydrophobicContact CD1-CB 4.44Å; L823-F941 HydrophobicContact CD1-CD1 4.43Å; L823-F941 HydrophobicContact CD1-CD2 3.71Å; L823-F941 HydrophobicContact CD1-CE2 4.02Å; L823-F941 HydrophobicContact CD1-CG 3.92Å; L823-F941 HydrophobicContact CD2-CB 4.3Å; L823-F941 HydrophobicContact CD2-CD1 3.45Å; L823-F941 VanDerWaalsContact CD2-CD1 3.45Å; L823-F941 HydrophobicContact CD2-CD2 4.25Å; L823-F941 HydrophobicContact CD2-CE1 3.75Å; L823-F941 HydrophobicContact CD2-CE2 4.49Å; L823-F941 HydrophobicContact CD2-CG 3.73Å; L823-F941 HydrophobicContact CD2-CZ 4.26Å; L823-F941 HydrophobicContact CG-CG 4.47Å |
| 824 | L | 85.9 | Confident | 85.1 | Confident | 56 Ų | 56 | 34.4 Ų | 34.4 | 29% | 0.293 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.6 | -41.8 | 172.2 | -179.5 | 72.8 | 0 | 0 | 0 | 112.4 | Y705 P820 L822 K828 | Y705-L824 HydrophobicContact CE1-CD1 4.27Å; Y705-L824 HydrophobicContact CE1-CD2 3.59Å; P820-L824 VanDerWaalsContact O-CB 3.3Å; P820-L824 WeakPolarHBondContact O-CB 3.19Å; P820-L824 PolarHBondContact O-N 3.14Å; L822-L824 VanDerWaalsContact C-N 3.35Å; L822-L824 PolarHBondContact O-N 3.32Å; L824-K828 HydrophobicContact CD1-CD 4.35Å; L824-K828 HydrophobicContact CG-CD 4.22Å; L824-K828 WeakPolarHBondContact O-CB 3.46Å; L824-K828 VanDerWaalsContact O-CG 3.31Å; L824-K828 WeakPolarHBondContact O-CG 3.45Å; L824-K828 PolarHBondContact O-N 2.88Å |
| 825 | Y | 84.4 | Confident | 83.9 | Confident | 29 Ų | 29 | 39.9 Ų | 39.9 | 11% | 0.114 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.3 | -46.2 | 178.1 | 171.2 | -92.6 | 0 | 0 | 0 | 112.2 | Q821 L822 L823 K828 S829 M894 L895 K898 H899 | Q821-Y825 VanDerWaalsContact O-CB 3.29Å; Q821-Y825 WeakPolarHBondContact O-CB 3.38Å; Q821-Y825 PolarHBondContact O-N 2.9Å; L822-Y825 WeakPolarHBondContact O-CB 3.28Å; L822-Y825 PolarHBondContact O-N 3.38Å; L822-Y825 VanDerWaalsContact O-N 3.15Å; L823-Y825 VanDerWaalsContact C-N 3.35Å; L823-Y825 PolarHBondContact O-N 3.06Å; Y825-K828 PolarHBondContact O-N 3.11Å; Y825-S829 WeakPolarHBondContact O-CB 3.42Å; Y825-S829 PolarHBondContact O-N 3.38Å; Y825-S829 PolarHBondContact O-OG 3.37Å; Y825-M894 HydrophobicContact CE2-CE 4.23Å; Y825-M894 HydrophobicContact CE2-CG 4.26Å; Y825-M894 WeakPolarHBondContact CE2-O 3.41Å; Y825-M894 PolarHBondContact OH-O 3.02Å; Y825-L895 WeakPolarHBondContact OH-CA 3.44Å; Y825-K898 HydrophobicContact CD2-CB 4.35Å; Y825-K898 HydrophobicContact CE2-CB 3.87Å; Y825-H899 AromaticContact CE1-ND1 3.92Å; Y825-H899 AromaticContact CZ-CE1 3.97Å; Y825-H899 AromaticContact CZ-ND1 3.74Å; Y825-H899 PolarHBondContact OH-CE1 2.94Å; Y825-H899 PolarHBondContact OH-ND1 2.89Å |
| 826 | L | 87 | Confident | 82.1 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 177 | -68.5 | 171.8 | 0 | 0 | 0 | 110.8 | L822 L823 K828 S829 V830 W963 C966 L967 W970 | L822-L826 HydrophobicContact CD1-CD1 4.03Å; L822-L826 HydrophobicContact CD1-CG 4.08Å; L822-L826 HydrophobicContact CG-CD1 4.04Å; L822-L826 HydrophobicContact CG-CG 4.48Å; L822-L826 WeakPolarHBondContact O-CG 3.27Å; L822-L826 PolarHBondContact O-N 3.47Å; L823-L826 PolarHBondContact O-N 3.34Å; L826-K828 PolarHBondContact O-N 3.44Å; L826-S829 WeakPolarHBondContact O-CA 3.23Å; L826-S829 WeakPolarHBondContact O-CB 3.48Å; L826-S829 PolarHBondContact O-N 3.23Å; L826-S829 VanDerWaalsContact O-N 3.09Å; L826-V830 WeakPolarHBondContact O-CG2 3.43Å; L826-V830 PolarHBondContact O-N 2.88Å; L826-W963 HydrophobicContact CB-CE3 4.44Å; L826-W963 HydrophobicContact CB-CH2 3.86Å; L826-W963 HydrophobicContact CB-CZ3 3.58Å; L826-W963 HydrophobicContact CD1-CZ3 4.29Å; L826-C966 HydrophobicContact CD2-CB 4.14Å; L826-L967 HydrophobicContact CD1-CD1 4.41Å; L826-W970 HydrophobicContact CD2-CB 4.35Å |
| 827 | T | 86.2 | Confident | 80.2 | Confident | 37 Ų | 37 | 48.7 Ų | 48.7 | 23% | 0.227 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.1 | -45.9 | 175.9 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | L823 S829 V830 Q831 W963 | L823-T827 VanDerWaalsContact O-CB 3.31Å; L823-T827 WeakPolarHBondContact O-CB 3.5Å; L823-T827 PolarHBondContact O-N 3.44Å; L823-T827 PolarHBondContact O-OG1 3.48Å; T827-S829 VanDerWaalsContact C-N 3.32Å; T827-S829 PolarHBondContact O-N 3.06Å; T827-V830 PolarHBondContact O-N 3.2Å; T827-Q831 WeakPolarHBondContact O-CG 3.5Å; T827-Q831 PolarHBondContact O-N 2.87Å; T827-W963 HydrophobicContact CG2-CZ2 4.42Å; T827-W963 WeakPolarHBondContact OG1-CH2 3.4Å; T827-W963 WeakPolarHBondContact OG1-CZ2 3.48Å |
| 828 | K | 83.3 | Confident | 78.1 | Confident | 94 Ų | 94 | 57.8 Ų | 57.8 | 41% | 0.409 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.3 | -34.7 | 175.7 | -74.8 | 171.7 | 179 | 174.1 | 0 | 112.7 | L824 Y825 L826 Q831 I832 | L824-K828 HydrophobicContact CD1-CD 4.35Å; L824-K828 HydrophobicContact CG-CD 4.22Å; L824-K828 WeakPolarHBondContact O-CB 3.46Å; L824-K828 VanDerWaalsContact O-CG 3.31Å; L824-K828 WeakPolarHBondContact O-CG 3.45Å; L824-K828 PolarHBondContact O-N 2.88Å; Y825-K828 PolarHBondContact O-N 3.11Å; L826-K828 PolarHBondContact O-N 3.44Å; K828-Q831 PolarHBondContact O-N 3.01Å; K828-I832 VanDerWaalsContact O-CG1 3.32Å; K828-I832 WeakPolarHBondContact O-CG1 3.49Å; K828-I832 PolarHBondContact O-N 3.21Å |
| 829 | S | 83.1 | Confident | 75.9 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 174.9 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | Y825 L826 T827 I832 L833 M894 | Y825-S829 WeakPolarHBondContact O-CB 3.42Å; Y825-S829 PolarHBondContact O-N 3.38Å; Y825-S829 PolarHBondContact O-OG 3.37Å; L826-S829 WeakPolarHBondContact O-CA 3.23Å; L826-S829 WeakPolarHBondContact O-CB 3.48Å; L826-S829 PolarHBondContact O-N 3.23Å; L826-S829 VanDerWaalsContact O-N 3.09Å; T827-S829 VanDerWaalsContact C-N 3.32Å; T827-S829 PolarHBondContact O-N 3.06Å; S829-I832 PolarHBondContact O-N 2.84Å; S829-L833 WeakPolarHBondContact O-CG 3.4Å; S829-L833 PolarHBondContact O-N 3.24Å; S829-M894 WeakPolarHBondContact OG-CE 3.3Å |
| 830 | V | 85.1 | Confident | 73.3 | Confident | 10 Ų | 10 | 66.4 Ų | 66.4 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 175.8 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | L826 T827 I832 L833 S834 I962 W963 C966 | L826-V830 WeakPolarHBondContact O-CG2 3.43Å; L826-V830 PolarHBondContact O-N 2.88Å; T827-V830 PolarHBondContact O-N 3.2Å; V830-I832 PolarHBondContact O-N 2.95Å; V830-L833 PolarHBondContact O-N 3.43Å; V830-S834 WeakPolarHBondContact O-CB 3.36Å; V830-S834 PolarHBondContact O-N 3.14Å; V830-S834 PolarHBondContact O-OG 2.82Å; V830-I962 HydrophobicContact CB-CG2 4.26Å; V830-I962 HydrophobicContact CG1-CB 4.23Å; V830-I962 HydrophobicContact CG1-CG2 3.91Å; V830-I962 HydrophobicContact CG2-CG2 4.21Å; V830-W963 HydrophobicContact CG1-CG 4.43Å; V830-W963 HydrophobicContact CG2-CB 4.35Å; V830-W963 HydrophobicContact CG2-CD2 3.77Å; V830-W963 HydrophobicContact CG2-CE3 4.41Å; V830-W963 HydrophobicContact CG2-CG 3.75Å; V830-C966 HydrophobicContact CG2-CB 4.19Å |
| 831 | Q | 82 | Confident | 70.7 | Confident | 109 Ų | 109 | 68.9 Ų | 68.9 | 51% | 0.509 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.1 | -47.1 | 175.3 | -74.3 | 169.8 | -18.5 | 0 | 0 | 111.8 | T827 K828 L833 S834 N835 | T827-Q831 WeakPolarHBondContact O-CG 3.5Å; T827-Q831 PolarHBondContact O-N 2.87Å; K828-Q831 PolarHBondContact O-N 3.01Å; Q831-L833 PolarHBondContact O-N 3.32Å; Q831-S834 PolarHBondContact O-N 3.04Å; Q831-N835 PolarHBondContact O-N 3.37Å |
| 832 | I | 79.8 | Confident | 68.5 | Low | 66 Ų | 66 | 74.7 Ų | 74.7 | 34% | 0.338 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 177.8 | -70.5 | 165.5 | 0 | 0 | 0 | 111.7 | K828 S829 V830 S834 M894 | K828-I832 VanDerWaalsContact O-CG1 3.32Å; K828-I832 WeakPolarHBondContact O-CG1 3.49Å; K828-I832 PolarHBondContact O-N 3.21Å; S829-I832 PolarHBondContact O-N 2.84Å; V830-I832 PolarHBondContact O-N 2.95Å; I832-S834 VanDerWaalsContact C-N 3.33Å; I832-M894 HydrophobicContact CD1-CE 3.83Å; I832-M894 HydrophobicContact CD1-SD 3.57Å; I832-M894 VanDerWaalsContact CD1-SD 3.57Å |
| 833 | L | 79.3 | Confident | 66 | Low | 53 Ų | 53 | 79.8 Ų | 79.8 | 28% | 0.277 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -74.5 | -17.7 | 177.3 | -71.9 | -178 | 0 | 0 | 0 | 114.4 | S829 V830 Q831 Y891 I962 | S829-L833 WeakPolarHBondContact O-CG 3.4Å; S829-L833 PolarHBondContact O-N 3.24Å; V830-L833 PolarHBondContact O-N 3.43Å; Q831-L833 PolarHBondContact O-N 3.32Å; L833-Y891 HydrophobicContact CD1-CD2 3.98Å; L833-Y891 HydrophobicContact CD1-CE2 3.66Å; L833-Y891 HydrophobicContact CD2-CD2 3.91Å; L833-Y891 HydrophobicContact CD2-CE2 4.43Å; L833-Y891 HydrophobicContact CD2-CG 4.08Å; L833-Y891 HydrophobicContact CG-CD2 3.98Å; L833-Y891 HydrophobicContact CG-CE2 4.17Å; L833-I962 HydrophobicContact CB-CG2 3.55Å; L833-I962 HydrophobicContact CD1-CG2 3.87Å; L833-I962 HydrophobicContact CG-CG2 4.38Å |
| 834 | S | 75.5 | Confident | 63.5 | Low | 35 Ų | 35 | 86.8 Ų | 86.8 | 25% | 0.245 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -89 | -20.1 | -178.4 | -55.5 | 0 | 0 | 0 | 0 | 113.4 | V830 Q831 I832 H836 | V830-S834 WeakPolarHBondContact O-CB 3.36Å; V830-S834 PolarHBondContact O-N 3.14Å; V830-S834 PolarHBondContact O-OG 2.82Å; Q831-S834 PolarHBondContact O-N 3.04Å; I832-S834 VanDerWaalsContact C-N 3.33Å; S834-H836 PolarHBondContact O-N 3.22Å |
| 835 | N | 64.8 | Low | 61.1 | Low | 116 Ų | 116 | 89 Ų | 89 | 62% | 0.62 | 46% | 0.462 | S | S | * | . | trans | -80.6 | 100.6 | -173.1 | -74.7 | -7.8 | 0 | 0 | 0 | 112.6 | Q831 K887 | Q831-N835 PolarHBondContact O-N 3.37Å; N835-K887 PolarHBondContact O-NZ 3.21Å | ||
| 836 | H | 51.3 | Low | 58.8 | Low | 123 Ų | 123 | 95.2 Ų | 95.2 | 57% | 0.569 | 50% | 0.496 | S | S | * | . | trans | -82.2 | -19.2 | 173.8 | -93.4 | -77 | 0 | 0 | 0 | 115.1 | S834 Y838 E839 | S834-H836 PolarHBondContact O-N 3.22Å; H836-Y838 PolarHBondContact O-N 3.47Å; H836-E839 IonicContact CE1-OE2 3.23Å; H836-E839 IonicContact ND1-OE2 3.57Å; H836-E839 PolarHBondContact ND1-OE2 3.48Å; H836-E839 PolarHBondContact O-N 2.87Å | ||
| 837 | H | 45.4 | Very low | 56.5 | Low | 141 Ų | 141 | 101.6 Ų | 101.6 | 65% | 0.653 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -11.3 | -161.1 | -109.5 | -63.8 | 0 | 0 | 0 | 119.3 | E1042 | H837-E1042 IonicContact CE1-OE1 3.13Å; H837-E1042 PolarHBondContact CE1-OE1 2.9Å; H837-E1042 VanDerWaalsContact CE1-OE1 3.23Å; H837-E1042 IonicContact NE2-OE1 3.24Å |
| 838 | Y | 40.7 | Very low | 54.2 | Low | 204 Ų | 204 | 105 Ų | 105 | 80% | 0.8 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -12.9 | -177.7 | -98.7 | -84.6 | 0 | 0 | 0 | 115.1 | H836 | H836-Y838 PolarHBondContact O-N 3.47Š|
| 839 | E | 39.2 | Very low | 51.9 | Low | 44 Ų | 44 | 109.3 Ų | 109.3 | 21% | 0.206 | 58% | 0.58 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -79.9 | -18.8 | -173 | -75.8 | 166.3 | 133 | 0 | 0 | 114.1 | H836 H883 C884 K887 | H836-E839 IonicContact CE1-OE2 3.23Å; H836-E839 IonicContact ND1-OE2 3.57Å; H836-E839 PolarHBondContact ND1-OE2 3.48Å; H836-E839 PolarHBondContact O-N 2.87Å; E839-H883 IonicContact OE1-CD2 3.61Å; E839-H883 PolarHBondContact OE1-CD2 3.25Å; E839-H883 IonicContact OE1-CG 2.71Å; E839-C884 WeakPolarHBondContact OE1-CB 3.23Å; E839-K887 IonicContact OE1-NZ 2.76Å; E839-K887 IonicContact OE2-NZ 3.65Å; E839-K887 PolarHBondContact OE2-NZ 2.89Å |
| 840 | N | 36.4 | Very low | 49.7 | Very low | 145 Ų | 145 | 115.9 Ų | 115.9 | 78% | 0.775 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -3.5 | 178.9 | -69.4 | -3.8 | 0 | 0 | 0 | 114.4 | ||
| 841 | C | 33 | Very low | 47.4 | Very low | 105 Ų | 105 | 121 Ų | 121 | 71% | 0.709 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -97.6 | 18.1 | -172.7 | -160.9 | 0 | 0 | 0 | 0 | 114 | ||
| 842 | M | 36.4 | Very low | 45.3 | Very low | 168 Ų | 168 | 120.7 Ų | 120.7 | 83% | 0.828 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -132.7 | 12.2 | -172 | -86.6 | -73.6 | 169.7 | 0 | 0 | 114.4 | ||
| 843 | T | 38 | Very low | 43.1 | Very low | 111 Ų | 111 | 124.4 Ų | 124.4 | 68% | 0.681 | 68% | 0.679 | S | S | * | * | trans | -132.6 | 36.3 | -173.1 | 58.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 844 | D | 37.6 | Very low | 40.8 | Very low | 171 Ų | 171 | 127.3 Ų | 127.3 | 91% | 0.914 | 70% | 0.704 | S | S | * | * | trans | -133.3 | 86.1 | 165.9 | -98.1 | -43.8 | 0 | 0 | 0 | 110.4 | ||||
| 845 | S | 34 | Very low | 38.7 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -138.9 | 76.5 | -178.4 | 68.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 846 | N | 36.5 | Very low | 37.2 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | trans | -158.4 | 84.3 | 171.1 | -95.9 | -44.5 | 0 | 0 | 0 | 112.7 | ||||
| 847 | T | 39.4 | Very low | 36.4 | Very low | 138 Ų | 138 | 135 Ų | 135 | 85% | 0.847 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 162.1 | 148.6 | 137.9 | 35.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 848 | S | 37 | Very low | 35.7 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | trans | 53.5 | 112.3 | 178.2 | 33.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 849 | K | 34.9 | Very low | 35.5 | Very low | 185 Ų | 185 | 133 Ų | 133 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | 57.2 | 95.1 | 70.2 | -70.7 | -165.3 | 174 | -171 | 0 | 114.1 | |||||
| 850 | D | 38.3 | Very low | 35.2 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | 162.8 | 118.6 | 96.3 | -82.1 | -24.1 | 0 | 0 | 0 | 113.9 | |||||
| 851 | S | 36.3 | Very low | 35.1 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | 74.8 | 161.9 | 152.7 | 87.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 852 | P | 38.4 | Very low | 35.1 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | -140.2 | -160.7 | -127.6 | 39.4 | -15.8 | 0 | 0 | 0 | 117.1 | |||||
| 853 | D | 32 | Very low | 35.1 | Very low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | 74 | 107.6 | 157.8 | -57.3 | -25.5 | 0 | 0 | 0 | 120.9 | ||||
| 854 | S | 32.3 | Very low | 34.9 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | 174.4 | 156.8 | 100 | 45.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 855 | C | 31.2 | Very low | 34.8 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | 65.3 | 65.3 | 163.8 | -72.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 856 | F | 33.2 | Very low | 34.8 | Very low | 208 Ų | 208 | 137.3 Ų | 137.3 | 91% | 0.912 | 76% | 0.762 | S | S | * | * | -114.1 | 153.2 | 117 | -92.5 | -84.6 | 0 | 0 | 0 | 108.5 | |||||
| 857 | P | 35.1 | Very low | 34.7 | Very low | 108 Ų | 108 | 137 Ų | 137 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | -131.6 | 123 | 141.5 | 13.1 | 8.3 | 0 | 0 | 0 | 112.8 | ||||
| 858 | D | 30.9 | Very low | 34.4 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | 47.3 | 131.8 | 123.3 | -51 | -32.2 | 0 | 0 | 0 | 121 | |||||
| 859 | Q | 34.7 | Very low | 34.3 | Very low | 175 Ų | 175 | 135.7 Ų | 135.7 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | cis | 86.2 | 149.8 | 38.6 | -70 | -156.8 | 28.9 | 0 | 0 | 115.9 | ||||
| 860 | Q | 33.9 | Very low | 34.2 | Very low | 182 Ų | 182 | 132.7 Ų | 132.7 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | trans | 83.9 | 143.8 | -175.4 | -52.5 | 171.7 | 56.7 | 0 | 0 | 113.6 | ||||
| 861 | S | 35 | Very low | 33.9 | Very low | 88 Ų | 88 | 134 Ų | 134 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | cis | -134.4 | 164.6 | 1.3 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 862 | L | 31.9 | Very low | 33.7 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | trans | -69.6 | 155.4 | 174.4 | -62.6 | 69.1 | 0 | 0 | 0 | 111.5 | ||||
| 863 | D | 37.1 | Very low | 33.3 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 81% | 0.807 | 74% | 0.74 | S | S | * | * | -160.6 | 171 | 102.9 | -132.7 | -31.5 | 0 | 0 | 0 | 114.6 | |||||
| 864 | N | 34.1 | Very low | 33.5 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 59% | 0.588 | 75% | 0.745 | S | S | * | * | trans | -101.6 | 143.4 | -162 | -60.6 | -96.6 | 0 | 0 | 0 | 113.7 | ||||
| 865 | N | 35.7 | Very low | 33.7 | Very low | 137 Ų | 137 | 139.2 Ų | 139.2 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | 171.2 | 119.9 | 103.9 | -94.5 | -69.9 | 0 | 0 | 0 | 115.7 | |||||
| 866 | N | 34 | Very low | 33.9 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | trans | 16.9 | 120.7 | 135.8 | -53.2 | -58.9 | 0 | 0 | 0 | 120.3 | ||||
| 867 | N | 34.3 | Very low | 34.1 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | 178.2 | 143.1 | 103.8 | -92.1 | -39.3 | 0 | 0 | 0 | 114.5 | |||||
| 868 | S | 32.1 | Very low | 34.5 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | trans | 49.9 | 134.1 | 152.7 | 55.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 869 | S | 34.2 | Very low | 34.7 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | cis | -154.4 | 102.5 | 8.5 | 52.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 870 | V | 34.3 | Very low | 34.7 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | trans | 51.8 | 78.2 | 136.1 | -164 | 0 | 0 | 0 | 0 | 118.2 | I872 | V870-I872 HydrophobicContact CG1-CB 4.2Å; V870-I872 HydrophobicContact CG1-CD1 3.67Å; V870-I872 HydrophobicContact CG1-CG1 3.69Å; V870-I872 PolarHBondContact O-N 3.46Å | ||
| 871 | E | 30.3 | Very low | 34.8 | Very low | 168 Ų | 168 | 133 Ų | 133 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | trans | -75.4 | 93.2 | 154.1 | -64 | -179.9 | 153.6 | 0 | 0 | 111.1 | ||||
| 872 | I | 32.1 | Very low | 34.6 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 62% | 0.615 | 72% | 0.721 | S | S | * | * | trans | -145 | 107.5 | 173.6 | -50.4 | 176.7 | 0 | 0 | 0 | 112.9 | K34 V870 | K34-I872 PolarHBondContact NZ-O 2.68Å; V870-I872 HydrophobicContact CG1-CB 4.2Å; V870-I872 HydrophobicContact CG1-CD1 3.67Å; V870-I872 HydrophobicContact CG1-CG1 3.69Å; V870-I872 PolarHBondContact O-N 3.46Å | ||
| 873 | N | 31.5 | Very low | 34.8 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 55% | 0.551 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -178.9 | 59.7 | 137.4 | -97.6 | 9.7 | 0 | 0 | 0 | 113.7 | D32 K34 | D32-N873 PolarHBondContact OD2-ND2 2.66Å; K34-N873 PolarHBondContact NZ-ND2 3.4Å; K34-N873 PolarHBondContact NZ-OD1 3.02Å |
| 874 | E | 35.8 | Very low | 35 | Very low | 185 Ų | 185 | 129 Ų | 129 | 86% | 0.864 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -148.1 | -17.9 | 165.9 | -145.5 | 164.5 | -132.5 | 0 | 0 | 116.1 | A876 | E874-A876 PolarHBondContact O-N 3.04Š|
| 875 | R | 35.8 | Very low | 35.4 | Very low | 180 Ų | 180 | 128.6 Ų | 128.6 | 68% | 0.679 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -72.6 | 6.4 | 179 | -64.7 | -178 | 178.8 | 117.5 | 5.8 | 115.3 | W877 I878 | R875-W877 PolarHBondContact O-N 2.82Å; R875-I878 PolarHBondContact O-N 2.69Å |
| 876 | A | 35.6 | Very low | 36.2 | Very low | 87 Ų | 87 | 129 Ų | 129 | 72% | 0.719 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -70.6 | -26.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E874 I878 | E874-A876 PolarHBondContact O-N 3.04Å; A876-I878 VanDerWaalsContact C-N 3.31Å; A876-I878 PolarHBondContact O-N 3.28Å |
| 877 | W | 37.6 | Very low | 37.1 | Very low | 240 Ų | 240 | 126 Ų | 126 | 91% | 0.909 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -87 | 4.8 | -178.4 | -123.2 | 51.4 | 0 | 0 | 0 | 114.5 | R875 | R875-W877 PolarHBondContact O-N 2.82Š|
| 878 | I | 43.3 | Very low | 38 | Very low | 87 Ų | 87 | 122.9 Ų | 122.9 | 45% | 0.446 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -97.2 | -26.1 | -175.1 | -62.3 | -178.6 | 0 | 0 | 0 | 111.5 | R875 A876 | R875-I878 PolarHBondContact O-N 2.69Å; A876-I878 VanDerWaalsContact C-N 3.31Å; A876-I878 PolarHBondContact O-N 3.28Å |
| 879 | N | 35.8 | Very low | 39 | Very low | 143 Ų | 143 | 122.6 Ų | 122.6 | 77% | 0.765 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -98.8 | 11.9 | -167.8 | -68.9 | -3.7 | 0 | 0 | 0 | 115.2 | ||
| 880 | S | 34.1 | Very low | 40.1 | Very low | 84 Ų | 84 | 123.2 Ų | 123.2 | 59% | 0.587 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -115.5 | 17.6 | -170.7 | 53.1 | 0 | 0 | 0 | 0 | 115.5 | ||
| 881 | N | 36.5 | Very low | 41.3 | Very low | 149 Ų | 149 | 118.7 Ų | 118.7 | 80% | 0.797 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -135.7 | 132.1 | 163.6 | -92.3 | -45.4 | 0 | 0 | 0 | 110 | H883 | N881-H883 PolarHBondContact O-N 3.01Š|
| 882 | S | 31.4 | Very low | 42.8 | Very low | 113 Ų | 113 | 113.2 Ų | 113.2 | 79% | 0.79 | 58% | 0.582 | S | S | * | * | trans | -99 | 75.8 | -161 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 883 | H | 34.6 | Very low | 44.2 | Very low | 147 Ų | 147 | 113.4 Ų | 113.4 | 68% | 0.681 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -158.1 | 145.8 | 155.8 | -110.5 | 49.5 | 0 | 0 | 0 | 112.2 | E839 N881 | E839-H883 IonicContact OE1-CD2 3.61Å; E839-H883 PolarHBondContact OE1-CD2 3.25Å; E839-H883 IonicContact OE1-CG 2.71Å; N881-H883 PolarHBondContact O-N 3.01Å |
| 884 | C | 41 | Very low | 45.7 | Very low | 40 Ų | 40 | 109.9 Ų | 109.9 | 27% | 0.27 | 56% | 0.559 | S | S | . | * | trans | 31.1 | 95.1 | 173 | -163.9 | 0 | 0 | 0 | 0 | 119 | E839 E886 K887 | E839-C884 WeakPolarHBondContact OE1-CB 3.23Å; C884-E886 VanDerWaalsContact C-N 3.25Å; C884-E886 PolarHBondContact O-N 2.73Å; C884-K887 HydrophobicContact CB-CD 4.35Å; C884-K887 HydrophobicContact CB-CG 4.48Å | ||
| 885 | P | 44.5 | Very low | 46.9 | Very low | 102 Ų | 102 | 102 Ų | 102 | 66% | 0.662 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.4 | -16.3 | 175.2 | 29.7 | -35.6 | 0 | 0 | 0 | 114.3 | Q888 Q889 | P885-Q888 PolarHBondContact O-N 2.9Å; P885-Q889 PolarHBondContact O-N 3.47Å |
| 886 | E | 50.5 | Low | 48 | Very low | 146 Ų | 146 | 100 Ų | 100 | 68% | 0.682 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71 | -43.2 | -174.8 | -171.1 | 165.6 | -150.3 | 0 | 0 | 112.4 | C884 Q888 Q889 Q890 | C884-E886 VanDerWaalsContact C-N 3.25Å; C884-E886 PolarHBondContact O-N 2.73Å; E886-Q888 PolarHBondContact O-N 2.95Å; E886-Q889 PolarHBondContact O-N 2.88Å; E886-Q889 VanDerWaalsContact O-N 3.12Å; E886-Q890 PolarHBondContact O-N 3.22Å |
| 887 | K | 53.7 | Low | 48.9 | Very low | 61 Ų | 61 | 99.2 Ų | 99.2 | 27% | 0.265 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -54.1 | -41.1 | 175.1 | -68 | 178.8 | 180 | -174 | 0 | 111.9 | N835 E839 C884 Q890 Y891 | N835-K887 PolarHBondContact O-NZ 3.21Å; E839-K887 IonicContact OE1-NZ 2.76Å; E839-K887 IonicContact OE2-NZ 3.65Å; E839-K887 PolarHBondContact OE2-NZ 2.89Å; C884-K887 HydrophobicContact CB-CD 4.35Å; C884-K887 HydrophobicContact CB-CG 4.48Å; K887-Q890 PolarHBondContact O-N 2.85Å; K887-Y891 WeakPolarHBondContact O-CB 3.49Å; K887-Y891 PolarHBondContact O-N 3.02Å |
| 888 | Q | 52.5 | Low | 49.7 | Very low | 87 Ų | 87 | 94.2 Ų | 94.2 | 41% | 0.407 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.2 | -35.5 | 179.9 | -62.7 | -177.9 | 1 | 0 | 0 | 112.8 | P885 E886 Q890 S892 | P885-Q888 PolarHBondContact O-N 2.9Å; E886-Q888 PolarHBondContact O-N 2.95Å; Q888-Q890 VanDerWaalsContact C-N 3.35Å; Q888-S892 WeakPolarHBondContact O-CB 3.33Å; Q888-S892 PolarHBondContact O-N 2.88Å; Q888-S892 PolarHBondContact O-OG 2.95Å |
| 889 | Q | 54.8 | Low | 50.2 | Low | 107 Ų | 107 | 91.7 Ų | 91.7 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 168.9 | -75.4 | -158.9 | 26.6 | 0 | 0 | 111.8 | P885 E886 S892 K893 | P885-Q889 PolarHBondContact O-N 3.47Å; E886-Q889 PolarHBondContact O-N 2.88Å; E886-Q889 VanDerWaalsContact O-N 3.12Å; Q889-S892 WeakPolarHBondContact CA-OG 3.3Å; Q889-S892 PolarHBondContact O-OG 2.79Å; Q889-K893 WeakPolarHBondContact O-CB 3.3Å; Q889-K893 WeakPolarHBondContact O-CD 3.44Å; Q889-K893 WeakPolarHBondContact O-CG 3.46Å; Q889-K893 PolarHBondContact O-N 3.37Å |
| 890 | Q | 57.2 | Low | 51.5 | Low | 117 Ų | 117 | 90 Ų | 90 | 55% | 0.547 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.2 | -42.2 | 179.1 | -161.7 | 177.1 | 29.4 | 0 | 0 | 111.6 | E886 K887 Q888 K893 M894 | E886-Q890 PolarHBondContact O-N 3.22Å; K887-Q890 PolarHBondContact O-N 2.85Å; Q888-Q890 VanDerWaalsContact C-N 3.35Å; Q890-K893 PolarHBondContact O-N 3.06Å; Q890-M894 WeakPolarHBondContact O-CB 3.35Å; Q890-M894 PolarHBondContact O-N 3.23Å |
| 891 | Y | 59.9 | Low | 53.7 | Low | 27 Ų | 27 | 89.7 Ų | 89.7 | 11% | 0.106 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -62.4 | -49.9 | 173.4 | 179.4 | -108.4 | 0 | 0 | 0 | 112.2 | L833 K887 K893 M894 L895 N969 | L833-Y891 HydrophobicContact CD1-CD2 3.98Å; L833-Y891 HydrophobicContact CD1-CE2 3.66Å; L833-Y891 HydrophobicContact CD2-CD2 3.91Å; L833-Y891 HydrophobicContact CD2-CE2 4.43Å; L833-Y891 HydrophobicContact CD2-CG 4.08Å; L833-Y891 HydrophobicContact CG-CD2 3.98Å; L833-Y891 HydrophobicContact CG-CE2 4.17Å; K887-Y891 WeakPolarHBondContact O-CB 3.49Å; K887-Y891 PolarHBondContact O-N 3.02Å; Y891-K893 VanDerWaalsContact C-N 3.35Å; Y891-K893 PolarHBondContact O-N 3.46Å; Y891-M894 CarbonylContact O-C 3.58Å; Y891-M894 PolarHBondContact O-N 3.37Å; Y891-L895 HydrophobicContact CD1-CD1 4.15Å; Y891-L895 HydrophobicContact CD1-CD2 4.42Å; Y891-L895 HydrophobicContact CD2-CD1 3.9Å; Y891-L895 HydrophobicContact CE1-CD1 3.8Å; Y891-L895 HydrophobicContact CE1-CD2 3.9Å; Y891-L895 HydrophobicContact CE2-CD1 3.51Å; Y891-L895 HydrophobicContact CG-CD1 4.21Å; Y891-L895 VanDerWaalsContact CZ-CD1 3.47Å; Y891-L895 WeakPolarHBondContact O-CD1 3.45Å; Y891-L895 PolarHBondContact O-N 3Å; Y891-N969 PolarHBondContact OH-ND2 2.71Å |
| 892 | S | 60.9 | Low | 56.1 | Low | 53 Ų | 53 | 83 Ų | 83 | 37% | 0.371 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.7 | -33.7 | 178.3 | 53.3 | 0 | 0 | 0 | 0 | 113.3 | Q888 Q889 N896 | Q888-S892 WeakPolarHBondContact O-CB 3.33Å; Q888-S892 PolarHBondContact O-N 2.88Å; Q888-S892 PolarHBondContact O-OG 2.95Å; Q889-S892 WeakPolarHBondContact CA-OG 3.3Å; Q889-S892 PolarHBondContact O-OG 2.79Å; S892-N896 WeakPolarHBondContact O-CB 3.29Å; S892-N896 VanDerWaalsContact O-CG 3.29Å; S892-N896 PolarHBondContact O-N 2.86Å; S892-N896 PolarHBondContact O-OD1 2.8Å |
| 893 | K | 62.2 | Low | 58.9 | Low | 124 Ų | 124 | 78.8 Ų | 78.8 | 54% | 0.539 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66 | -39 | 168 | -74.7 | 165.2 | 178.7 | 162.1 | 0 | 111.7 | Q889 Q890 Y891 N896 S897 | Q889-K893 WeakPolarHBondContact O-CB 3.3Å; Q889-K893 WeakPolarHBondContact O-CD 3.44Å; Q889-K893 WeakPolarHBondContact O-CG 3.46Å; Q889-K893 PolarHBondContact O-N 3.37Å; Q890-K893 PolarHBondContact O-N 3.06Å; Y891-K893 VanDerWaalsContact C-N 3.35Å; Y891-K893 PolarHBondContact O-N 3.46Å; K893-N896 PolarHBondContact O-N 2.76Å; K893-S897 VanDerWaalsContact O-CB 3.23Å; K893-S897 WeakPolarHBondContact O-CB 3.38Å; K893-S897 PolarHBondContact O-N 2.91Å; K893-S897 PolarHBondContact O-OG 3.12Å |
| 894 | M | 61.4 | Low | 61.5 | Low | 29 Ų | 29 | 77.6 Ų | 77.6 | 14% | 0.143 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -76.6 | -23.9 | 179.2 | -159.3 | 177.1 | 83.5 | 0 | 0 | 113.5 | Y825 S829 I832 Q890 Y891 K898 | Y825-M894 HydrophobicContact CE2-CE 4.23Å; Y825-M894 HydrophobicContact CE2-CG 4.26Å; Y825-M894 WeakPolarHBondContact CE2-O 3.41Å; Y825-M894 PolarHBondContact OH-O 3.02Å; S829-M894 WeakPolarHBondContact OG-CE 3.3Å; I832-M894 HydrophobicContact CD1-CE 3.83Å; I832-M894 HydrophobicContact CD1-SD 3.57Å; I832-M894 VanDerWaalsContact CD1-SD 3.57Å; Q890-M894 WeakPolarHBondContact O-CB 3.35Å; Q890-M894 PolarHBondContact O-N 3.23Å; Y891-M894 CarbonylContact O-C 3.58Å; Y891-M894 PolarHBondContact O-N 3.37Å; M894-K898 HydrophobicContact CG-CD 4.36Å |
| 895 | L | 60.7 | Low | 63.8 | Low | 19 Ų | 19 | 75.9 Ų | 75.9 | 10% | 0.099 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.5 | -74.5 | 158.3 | -93.5 | 53.6 | 0 | 0 | 0 | 108.5 | Y825 Y891 S897 K898 H899 | Y825-L895 WeakPolarHBondContact OH-CA 3.44Å; Y891-L895 HydrophobicContact CD1-CD1 4.15Å; Y891-L895 HydrophobicContact CD1-CD2 4.42Å; Y891-L895 HydrophobicContact CD2-CD1 3.9Å; Y891-L895 HydrophobicContact CE1-CD1 3.8Å; Y891-L895 HydrophobicContact CE1-CD2 3.9Å; Y891-L895 HydrophobicContact CE2-CD1 3.51Å; Y891-L895 HydrophobicContact CG-CD1 4.21Å; Y891-L895 VanDerWaalsContact CZ-CD1 3.47Å; Y891-L895 WeakPolarHBondContact O-CD1 3.45Å; Y891-L895 PolarHBondContact O-N 3Å; L895-S897 VanDerWaalsContact C-N 3.25Å; L895-S897 PolarHBondContact O-N 2.92Å; L895-K898 PolarHBondContact O-N 3.44Å; L895-K898 VanDerWaalsContact O-N 3.14Å; L895-H899 VanDerWaalsContact C-CD2 3.47Å; L895-H899 VanDerWaalsContact C-NE2 3.32Å; L895-H899 WeakPolarHBondContact CA-CE1 3.48Å; L895-H899 WeakPolarHBondContact CA-NE2 3.22Å; L895-H899 VanDerWaalsContact CB-NE2 3.28Å; L895-H899 WeakPolarHBondContact CB-NE2 3.33Å; L895-H899 WeakPolarHBondContact CG-NE2 3.4Å; L895-H899 PolarHBondContact O-CD2 2.85Å; L895-H899 VanDerWaalsContact O-CG 3.24Å; L895-H899 PolarHBondContact O-N 3.4Å; L895-H899 PolarHBondContact O-NE2 2.96Å |
| 896 | N | 59.1 | Low | 66.1 | Low | 138 Ų | 138 | 71.1 Ų | 71.1 | 74% | 0.738 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.3 | -20.9 | -164.9 | -62.8 | 7.2 | 0 | 0 | 0 | 115.1 | S892 K893 | S892-N896 WeakPolarHBondContact O-CB 3.29Å; S892-N896 VanDerWaalsContact O-CG 3.29Å; S892-N896 PolarHBondContact O-N 2.86Å; S892-N896 PolarHBondContact O-OD1 2.8Å; K893-N896 PolarHBondContact O-N 2.76Å |
| 897 | S | 56.1 | Low | 68.1 | Low | 71 Ų | 71 | 65.5 Ų | 65.5 | 50% | 0.497 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -97.5 | -13.4 | 179.1 | 65.9 | 0 | 0 | 0 | 0 | 115.5 | K893 L895 | K893-S897 VanDerWaalsContact O-CB 3.23Å; K893-S897 WeakPolarHBondContact O-CB 3.38Å; K893-S897 PolarHBondContact O-N 2.91Å; K893-S897 PolarHBondContact O-OG 3.12Å; L895-S897 VanDerWaalsContact C-N 3.25Å; L895-S897 PolarHBondContact O-N 2.92Å |
| 898 | K | 52.9 | Low | 69.9 | Low | 134 Ų | 134 | 65 Ų | 65 | 58% | 0.583 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -135.8 | 9.5 | -168.3 | -71.2 | -174.2 | -177.6 | 177.1 | 0 | 117 | Y825 M894 L895 N900 | Y825-K898 HydrophobicContact CD2-CB 4.35Å; Y825-K898 HydrophobicContact CE2-CB 3.87Å; M894-K898 HydrophobicContact CG-CD 4.36Å; L895-K898 PolarHBondContact O-N 3.44Å; L895-K898 VanDerWaalsContact O-N 3.14Å; K898-N900 PolarHBondContact O-N 3.03Å |
| 899 | H | 54.9 | Low | 71.8 | Confident | 34 Ų | 34 | 61 Ų | 61 | 16% | 0.157 | 31% | 0.307 | C | S | . | . | trans | -65 | 20.3 | 170.2 | -67.3 | -34.9 | 0 | 0 | 0 | 116 | Y825 L895 L903 C974 | Y825-H899 AromaticContact CE1-ND1 3.92Å; Y825-H899 AromaticContact CZ-CE1 3.97Å; Y825-H899 AromaticContact CZ-ND1 3.74Å; Y825-H899 PolarHBondContact OH-CE1 2.94Å; Y825-H899 PolarHBondContact OH-ND1 2.89Å; L895-H899 VanDerWaalsContact C-CD2 3.47Å; L895-H899 VanDerWaalsContact C-NE2 3.32Å; L895-H899 WeakPolarHBondContact CA-CE1 3.48Å; L895-H899 WeakPolarHBondContact CA-NE2 3.22Å; L895-H899 VanDerWaalsContact CB-NE2 3.28Å; L895-H899 WeakPolarHBondContact CB-NE2 3.33Å; L895-H899 WeakPolarHBondContact CG-NE2 3.4Å; L895-H899 PolarHBondContact O-CD2 2.85Å; L895-H899 VanDerWaalsContact O-CG 3.24Å; L895-H899 PolarHBondContact O-N 3.4Å; L895-H899 PolarHBondContact O-NE2 2.96Å; H899-L903 HydrophobicContact CB-CD1 4.3Å; H899-C974 PolarHBondContact NE2-SG 2.72Å | ||
| 900 | N | 62.5 | Low | 73.7 | Confident | 108 Ų | 108 | 56 Ų | 56 | 58% | 0.578 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 15.8 | -135.3 | -144.7 | -12 | 0 | 0 | 0 | 114.5 | K898 K904 | K898-N900 PolarHBondContact O-N 3.03Å; N900-K904 VanDerWaalsContact O-CB 3.3Å; N900-K904 WeakPolarHBondContact O-CB 3.3Å |
| 901 | I | 80.4 | Confident | 75.3 | Confident | 78 Ų | 78 | 54.1 Ų | 54.1 | 40% | 0.4 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | -52 | -179.3 | -50.1 | 177.3 | 0 | 0 | 0 | 112.1 | Q821 L903 K904 I905 | Q821-I901 VanDerWaalsContact OE1-CG2 3.3Å; I901-L903 PolarHBondContact O-N 2.75Å; I901-K904 WeakPolarHBondContact O-CB 3.28Å; I901-K904 PolarHBondContact O-N 2.89Å; I901-K904 VanDerWaalsContact O-N 3.16Å; I901-I905 HydrophobicContact CG2-CD1 3.83Å; I901-I905 HydrophobicContact CG2-CG1 4.36Å; I901-I905 WeakPolarHBondContact O-CB 3.46Å; I901-I905 WeakPolarHBondContact O-CG1 3.37Å; I901-I905 PolarHBondContact O-N 3.14Å |
| 902 | T | 87.5 | Confident | 76.8 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 6% | 0.055 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.5 | -50.8 | 174.2 | -41 | 0 | 0 | 0 | 0 | 111.4 | A818 L822 K904 I905 L906 W970 | A818-T902 HydrophobicContact CB-CG2 4.18Å; A818-T902 PolarHBondContact O-OG1 3.31Å; A818-T902 VanDerWaalsContact O-OG1 3.11Å; L822-T902 HydrophobicContact CD2-CG2 4.4Å; T902-K904 VanDerWaalsContact C-N 3.29Å; T902-K904 PolarHBondContact O-N 3.02Å; T902-I905 PolarHBondContact O-N 2.93Å; T902-L906 WeakPolarHBondContact O-CG 3.26Å; T902-L906 PolarHBondContact O-N 3.21Å; T902-W970 HydrophobicContact CG2-CH2 4.35Å; T902-W970 HydrophobicContact CG2-CZ2 4.04Å |
| 903 | L | 89.9 | Confident | 78.3 | Confident | 24 Ų | 24 | 50.9 Ų | 50.9 | 13% | 0.126 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.7 | -31.5 | 176.3 | -61.5 | -179.3 | 0 | 0 | 0 | 112.4 | H899 I901 S907 L975 W978 | H899-L903 HydrophobicContact CB-CD1 4.3Å; I901-L903 PolarHBondContact O-N 2.75Å; L903-S907 VanDerWaalsContact O-CB 3.26Å; L903-S907 WeakPolarHBondContact O-CB 3.34Å; L903-S907 PolarHBondContact O-N 2.86Å; L903-S907 PolarHBondContact O-OG 2.8Å; L903-L975 HydrophobicContact CD2-CB 4.45Å; L903-L975 HydrophobicContact CD2-CD1 3.48Å; L903-L975 VanDerWaalsContact CD2-CD1 3.48Å; L903-W978 HydrophobicContact CD1-CB 4.5Å; L903-W978 HydrophobicContact CD2-CB 4.16Å; L903-W978 HydrophobicContact CD2-CD2 4.17Å; L903-W978 HydrophobicContact CD2-CE3 4.43Å; L903-W978 HydrophobicContact CD2-CG 4.02Å |
| 904 | K | 88.1 | Confident | 79.7 | Confident | 121 Ų | 121 | 47.3 Ų | 47.3 | 53% | 0.526 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.7 | -44.7 | 175.5 | -178.3 | -168.3 | 171.7 | -162.5 | 0 | 111.5 | N900 I901 T902 S907 E908 | N900-K904 VanDerWaalsContact O-CB 3.3Å; N900-K904 WeakPolarHBondContact O-CB 3.3Å; I901-K904 WeakPolarHBondContact O-CB 3.28Å; I901-K904 PolarHBondContact O-N 2.89Å; I901-K904 VanDerWaalsContact O-N 3.16Å; T902-K904 VanDerWaalsContact C-N 3.29Å; T902-K904 PolarHBondContact O-N 3.02Å; K904-S907 PolarHBondContact O-N 3.41Å; K904-E908 VanDerWaalsContact O-CB 3.29Å; K904-E908 WeakPolarHBondContact O-CB 3.43Å; K904-E908 PolarHBondContact O-N 3.28Å |
| 905 | I | 90 | Very high | 80.9 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 177.5 | -70.8 | 168.1 | 0 | 0 | 0 | 110.2 | R813 I817 A818 I901 T902 E908 I909 | R813-I905 HydrophobicContact CG-CG2 4.46Å; I817-I905 HydrophobicContact CB-CD1 4.18Å; I817-I905 HydrophobicContact CG2-CD1 3.87Å; A818-I905 HydrophobicContact CB-CD1 3.81Å; I901-I905 HydrophobicContact CG2-CD1 3.83Å; I901-I905 HydrophobicContact CG2-CG1 4.36Å; I901-I905 WeakPolarHBondContact O-CB 3.46Å; I901-I905 WeakPolarHBondContact O-CG1 3.37Å; I901-I905 PolarHBondContact O-N 3.14Å; T902-I905 PolarHBondContact O-N 2.93Å; I905-E908 PolarHBondContact O-N 3.37Å; I905-I909 HydrophobicContact CG2-CD1 3.88Å; I905-I909 VanDerWaalsContact O-CG1 3.3Å; I905-I909 WeakPolarHBondContact O-CG1 3.4Å; I905-I909 PolarHBondContact O-N 3.23Å |
| 906 | L | 93.3 | Very high | 82.3 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 174.7 | -65.3 | 174.6 | 0 | 0 | 0 | 112 | L814 T902 L910 F927 L930 L975 W978 | L814-L906 HydrophobicContact CD1-CD2 4.2Å; T902-L906 WeakPolarHBondContact O-CG 3.26Å; T902-L906 PolarHBondContact O-N 3.21Å; L906-L910 WeakPolarHBondContact O-CB 3.31Å; L906-L910 PolarHBondContact O-N 3.11Å; L906-F927 HydrophobicContact CB-CE1 4.31Å; L906-F927 HydrophobicContact CD2-CE1 3.98Å; L906-L930 HydrophobicContact CD2-CD1 4.45Å; L906-L975 HydrophobicContact CD1-CD1 4.07Å; L906-W978 HydrophobicContact CB-CH2 3.72Å; L906-W978 HydrophobicContact CB-CZ2 3.78Å; L906-W978 HydrophobicContact CB-CZ3 4.38Å; L906-W978 HydrophobicContact CD1-CH2 4.46Å; L906-W978 HydrophobicContact CD1-CZ3 4.33Å |
| 907 | S | 92.3 | Very high | 83.7 | Confident | 29 Ų | 29 | 46 Ų | 46 | 20% | 0.203 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.9 | -39 | 174.4 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | L903 K904 L910 N911 W978 | L903-S907 VanDerWaalsContact O-CB 3.26Å; L903-S907 WeakPolarHBondContact O-CB 3.34Å; L903-S907 PolarHBondContact O-N 2.86Å; L903-S907 PolarHBondContact O-OG 2.8Å; K904-S907 PolarHBondContact O-N 3.41Å; S907-L910 PolarHBondContact O-N 3.42Å; S907-N911 VanDerWaalsContact O-CB 3.31Å; S907-N911 WeakPolarHBondContact O-CB 3.5Å; S907-N911 PolarHBondContact O-N 2.95Å; S907-N911 PolarHBondContact O-ND2 3.32Å; S907-W978 PolarHBondContact OG-NE1 3.14Å |
| 908 | E | 90.8 | Very high | 85.5 | Confident | 49 Ų | 49 | 43 Ų | 43 | 23% | 0.229 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.9 | -45.9 | 178.9 | -175.6 | 170 | -133.2 | 0 | 0 | 111.1 | I724 R813 K904 I905 L910 N911 C912 | I724-E908 WeakPolarHBondContact CD1-OE1 3.26Å; R813-E908 IonicContact CZ-OE2 3.2Å; R813-E908 IonicContact NH1-OE2 3.75Å; R813-E908 PolarHBondContact NH1-OE2 3.45Å; R813-E908 IonicContact NH2-OE2 3.51Å; R813-E908 PolarHBondContact NH2-OE2 3.05Å; K904-E908 VanDerWaalsContact O-CB 3.29Å; K904-E908 WeakPolarHBondContact O-CB 3.43Å; K904-E908 PolarHBondContact O-N 3.28Å; I905-E908 PolarHBondContact O-N 3.37Å; E908-L910 VanDerWaalsContact C-N 3.31Å; E908-L910 PolarHBondContact O-N 3.06Å; E908-N911 PolarHBondContact O-N 3.16Å; E908-C912 PolarHBondContact O-N 2.81Å; E908-C912 PolarHBondContact O-SG 3.4Å |
| 909 | I | 93.6 | Very high | 87.4 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.015 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.4 | -45.9 | 172.9 | -68.6 | 164 | 0 | 0 | 0 | 110.3 | C810 I905 C912 L913 L926 F927 L930 | C810-I909 HydrophobicContact CB-CD1 4.08Å; I905-I909 HydrophobicContact CG2-CD1 3.88Å; I905-I909 VanDerWaalsContact O-CG1 3.3Å; I905-I909 WeakPolarHBondContact O-CG1 3.4Å; I905-I909 PolarHBondContact O-N 3.23Å; I909-C912 WeakPolarHBondContact O-CB 3.39Å; I909-C912 PolarHBondContact O-N 2.98Å; I909-L913 HydrophobicContact CG2-CD1 4.09Å; I909-L913 WeakPolarHBondContact O-CG 3.39Å; I909-L913 PolarHBondContact O-N 3.11Å; I909-L926 HydrophobicContact CG2-CD2 4.32Å; I909-F927 HydrophobicContact CG2-CZ 4.45Å; I909-L930 HydrophobicContact CD1-CD1 4.36Å; I909-L930 HydrophobicContact CG2-CD1 4.42Å |
| 910 | L | 93.5 | Very high | 89.1 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 177.8 | -171.8 | 61.5 | 0 | 0 | 0 | 112.8 | L906 S907 E908 C912 L913 H914 I923 F927 W978 H982 L984 | L906-L910 WeakPolarHBondContact O-CB 3.31Å; L906-L910 PolarHBondContact O-N 3.11Å; S907-L910 PolarHBondContact O-N 3.42Å; E908-L910 VanDerWaalsContact C-N 3.31Å; E908-L910 PolarHBondContact O-N 3.06Å; L910-C912 VanDerWaalsContact C-N 3.31Å; L910-C912 PolarHBondContact O-N 2.89Å; L910-L913 PolarHBondContact O-N 2.87Å; L910-H914 WeakPolarHBondContact CD1-NE2 3.32Å; L910-H914 PolarHBondContact O-CD2 3.33Å; L910-H914 PolarHBondContact O-N 2.82Å; L910-I923 HydrophobicContact CD1-CG2 3.72Å; L910-F927 HydrophobicContact CB-CE2 4.21Å; L910-F927 HydrophobicContact CB-CZ 3.98Å; L910-F927 HydrophobicContact CD1-CE2 3.81Å; L910-F927 HydrophobicContact CD1-CZ 4.31Å; L910-W978 HydrophobicContact CD2-CZ2 4.33Å; L910-H982 HydrophobicContact CD2-CB 3.67Å; L910-H982 VanDerWaalsContact CD2-ND1 3.32Å; L910-H982 WeakPolarHBondContact CD2-ND1 3.44Å; L910-L984 HydrophobicContact CD1-CD1 4.49Å; L910-L984 HydrophobicContact CD2-CD1 4.34Å |
| 911 | N | 91.5 | Very high | 90.5 | Very high | 78 Ų | 78 | 34 Ų | 34 | 42% | 0.417 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.3 | -38.6 | 174.8 | -72 | -25 | 0 | 0 | 0 | 111.5 | S907 E908 H914 S915 | S907-N911 VanDerWaalsContact O-CB 3.31Å; S907-N911 WeakPolarHBondContact O-CB 3.5Å; S907-N911 PolarHBondContact O-N 2.95Å; S907-N911 PolarHBondContact O-ND2 3.32Å; E908-N911 PolarHBondContact O-N 3.16Å; N911-H914 PolarHBondContact O-N 2.87Å; N911-S915 VanDerWaalsContact O-CB 3.32Å; N911-S915 WeakPolarHBondContact O-CB 3.21Å; N911-S915 PolarHBondContact O-N 3.47Å; N911-S915 PolarHBondContact O-OG 2.79Å |
| 912 | C | 90.7 | Very high | 91.2 | Very high | 10 Ų | 10 | 30.3 Ų | 30.3 | 7% | 0.068 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 175.4 | -64.1 | 0 | 0 | 0 | 0 | 111.9 | K728 E908 I909 L910 A916 | K728-C912 HydrophobicContact CG-CB 4.06Å; K728-C912 VanDerWaalsContact CG-SG 3.56Å; E908-C912 PolarHBondContact O-N 2.81Å; E908-C912 PolarHBondContact O-SG 3.4Å; I909-C912 WeakPolarHBondContact O-CB 3.39Å; I909-C912 PolarHBondContact O-N 2.98Å; L910-C912 VanDerWaalsContact C-N 3.31Å; L910-C912 PolarHBondContact O-N 2.89Å; C912-A916 WeakPolarHBondContact O-CB 3.49Å; C912-A916 PolarHBondContact O-N 3.46Å; C912-A916 VanDerWaalsContact O-N 3.16Å |
| 913 | L | 93.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 175.8 | -67.3 | 157.4 | 0 | 0 | 0 | 111.8 | T731 L806 I909 L910 A916 Y917 V918 I923 L926 F927 | T731-L913 HydrophobicContact CG2-CD2 4.04Å; T731-L913 HydrophobicContact CG2-CG 4.5Å; L806-L913 HydrophobicContact CD2-CD2 4.09Å; I909-L913 HydrophobicContact CG2-CD1 4.09Å; I909-L913 WeakPolarHBondContact O-CG 3.39Å; I909-L913 PolarHBondContact O-N 3.11Å; L910-L913 PolarHBondContact O-N 2.87Å; L913-A916 PolarHBondContact O-N 3.28Å; L913-Y917 PolarHBondContact O-N 3.36Å; L913-V918 HydrophobicContact CB-CB 4.47Å; L913-V918 HydrophobicContact CD2-CB 4.17Å; L913-V918 HydrophobicContact CD2-CG1 4.03Å; L913-V918 HydrophobicContact CD2-CG2 4.16Å; L913-V918 PolarHBondContact O-N 3.27Å; L913-V918 VanDerWaalsContact O-N 3.1Å; L913-I923 HydrophobicContact CB-CD1 3.94Å; L913-I923 HydrophobicContact CB-CG1 4.04Å; L913-I923 HydrophobicContact CD1-CG1 4.22Å; L913-I923 HydrophobicContact CD1-CG2 4.12Å; L913-I923 HydrophobicContact CD2-CG1 4.38Å; L913-I923 HydrophobicContact CG-CG1 4.45Å; L913-L926 HydrophobicContact CD1-CD2 3.98Å; L913-L926 HydrophobicContact CD2-CD2 4.09Å; L913-F927 HydrophobicContact CD1-CD2 4.49Å; L913-F927 HydrophobicContact CD1-CE2 3.89Å |
| 914 | H | 90.4 | Very high | 91.6 | Very high | 49 Ų | 49 | 33 Ų | 33 | 23% | 0.227 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.9 | -43.1 | 179 | -68.9 | -34.5 | 0 | 0 | 0 | 112.8 | L910 N911 A916 Y917 S1170 | L910-H914 WeakPolarHBondContact CD1-NE2 3.32Å; L910-H914 PolarHBondContact O-CD2 3.33Å; L910-H914 PolarHBondContact O-N 2.82Å; N911-H914 PolarHBondContact O-N 2.87Å; H914-A916 PolarHBondContact O-N 3.5Å; H914-Y917 PolarHBondContact O-N 3.4Å; H914-S1170 PolarHBondContact CE1-OG 2.76Å; H914-S1170 PolarHBondContact NE2-OG 2.86Å |
| 915 | S | 86.6 | Confident | 91.9 | Very high | 84 Ų | 84 | 28.2 Ų | 28.2 | 59% | 0.587 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -62.6 | -29.4 | 176.1 | -65 | 0 | 0 | 0 | 0 | 112.9 | P596 N911 Y917 | P596-S915 VanDerWaalsContact CG-O 3.28Å; P596-S915 WeakPolarHBondContact CG-O 3.46Å; N911-S915 VanDerWaalsContact O-CB 3.32Å; N911-S915 WeakPolarHBondContact O-CB 3.21Å; N911-S915 PolarHBondContact O-N 3.47Å; N911-S915 PolarHBondContact O-OG 2.79Å; S915-Y917 WeakPolarHBondContact O-CD2 3.19Å |
| 916 | A | 89.8 | Confident | 92.1 | Very high | 9 Ų | 9 | 28.1 Ų | 28.1 | 7% | 0.074 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | T731 A735 C912 L913 H914 V918 | T731-A916 HydrophobicContact CG2-CB 3.61Å; A735-A916 HydrophobicContact CB-CB 4.45Å; A735-A916 WeakPolarHBondContact CB-O 3.17Å; C912-A916 WeakPolarHBondContact O-CB 3.49Å; C912-A916 PolarHBondContact O-N 3.46Å; C912-A916 VanDerWaalsContact O-N 3.16Å; L913-A916 PolarHBondContact O-N 3.28Å; H914-A916 PolarHBondContact O-N 3.5Å; A916-V918 VanDerWaalsContact C-N 3.3Å; A916-V918 HydrophobicContact CB-CG2 4.24Å; A916-V918 PolarHBondContact O-N 2.71Å |
| 917 | Y | 90.2 | Very high | 92.2 | Very high | 67 Ų | 67 | 28 Ų | 28 | 26% | 0.263 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 37.2 | -177.3 | -64.2 | -101 | 0 | 0 | 0 | 114 | P596 L913 H914 S915 T1189 | P596-Y917 HydrophobicContact CB-CD2 4.15Å; P596-Y917 HydrophobicContact CG-CD2 4.03Å; P596-Y917 HydrophobicContact CG-CE2 4.1Å; L913-Y917 PolarHBondContact O-N 3.36Å; H914-Y917 PolarHBondContact O-N 3.4Å; S915-Y917 WeakPolarHBondContact O-CD2 3.19Å; Y917-T1189 VanDerWaalsContact CE1-O 3.25Å; Y917-T1189 WeakPolarHBondContact CE1-O 3.27Å; Y917-T1189 WeakPolarHBondContact OH-CB 3.46Å; Y917-T1189 PolarHBondContact OH-O 3.26Å; Y917-T1189 PolarHBondContact OH-OG1 2.83Å |
| 918 | V | 93 | Very high | 92.3 | Very high | 7 Ų | 7 | 26.7 Ų | 26.7 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | trans | -64.2 | 135.1 | 173.8 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | T731 L734 A735 L913 A916 F922 I923 | T731-V918 HydrophobicContact CG2-CG2 3.52Å; L734-V918 HydrophobicContact CD2-CG1 4.33Å; A735-V918 HydrophobicContact CB-CG2 3.9Å; L913-V918 HydrophobicContact CB-CB 4.47Å; L913-V918 HydrophobicContact CD2-CB 4.17Å; L913-V918 HydrophobicContact CD2-CG1 4.03Å; L913-V918 HydrophobicContact CD2-CG2 4.16Å; L913-V918 PolarHBondContact O-N 3.27Å; L913-V918 VanDerWaalsContact O-N 3.1Å; A916-V918 VanDerWaalsContact C-N 3.3Å; A916-V918 HydrophobicContact CB-CG2 4.24Å; A916-V918 PolarHBondContact O-N 2.71Å; V918-F922 HydrophobicContact CG1-CB 3.72Å; V918-F922 HydrophobicContact CG1-CD2 4.11Å; V918-F922 HydrophobicContact CG1-CG 4.42Å; V918-I923 HydrophobicContact CG1-CG1 4.24Å | ||
| 919 | N | 92.7 | Very high | 92.5 | Very high | 5 Ų | 5 | 26.4 Ų | 26.4 | 3% | 0.027 | 15% | 0.15 | C | C | . | . | trans | -54.2 | 131.1 | 178.2 | -174.6 | -55.5 | 0 | 0 | 0 | 111.2 | A921 F922 I923 P1136 D1138 C1139 Y1140 | N919-A921 PolarHBondContact O-N 2.9Å; N919-A921 PolarHBondContact OD1-N 3.42Å; N919-F922 HydrophobicContact CB-CD2 3.94Å; N919-F922 HydrophobicContact CB-CE2 4.33Å; N919-F922 PolarHBondContact O-N 3.09Å; N919-I923 PolarHBondContact O-N 3.36Å; N919-P1136 HydrophobicContact CB-CG 4.12Å; N919-P1136 WeakPolarHBondContact ND2-CB 3.36Å; N919-D1138 PolarHBondContact ND2-O 3.42Å; N919-C1139 PolarHBondContact ND2-O 2.68Å; N919-Y1140 HydrophobicContact CB-CE1 4.44Å | ||
| 920 | P | 91.2 | Very high | 92.5 | Very high | 68 Ų | 68 | 26.3 Ų | 26.3 | 44% | 0.442 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -53 | -30.1 | -177.1 | -29.3 | 36 | 0 | 0 | 0 | 115.5 | F922 I923 V924 | P920-F922 VanDerWaalsContact C-N 3.32Å; P920-F922 PolarHBondContact O-N 3.11Å; P920-I923 WeakPolarHBondContact O-CB 3.37Å; P920-I923 PolarHBondContact O-N 2.88Å; P920-I923 VanDerWaalsContact O-N 3.11Å; P920-V924 PolarHBondContact O-N 3Å |
| 921 | A | 90.9 | Very high | 92.6 | Very high | 14 Ų | 14 | 26.2 Ų | 26.2 | 12% | 0.116 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.2 | -29.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | N919 Q925 P1136 F1982 | N919-A921 PolarHBondContact O-N 2.9Å; N919-A921 PolarHBondContact OD1-N 3.42Å; A921-Q925 WeakPolarHBondContact O-CG 3.43Å; A921-Q925 PolarHBondContact O-N 3.03Å; A921-Q925 VanDerWaalsContact O-N 3.14Å; A921-Q925 PolarHBondContact O-NE2 3.04Å; A921-P1136 HydrophobicContact CB-CB 4.11Å; A921-P1136 HydrophobicContact CB-CG 3.92Å; A921-F1982 HydrophobicContact CB-CD2 4.15Å; A921-F1982 HydrophobicContact CB-CE2 3.92Å; A921-F1982 HydrophobicContact CB-CZ 4.19Å |
| 922 | F | 95 | Very high | 92.8 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -73.5 | -33.4 | 169.1 | -65.9 | -50.5 | 0 | 0 | 0 | 112.1 | L734 V799 F803 V918 N919 P920 Q925 L926 F1133 L1135 P1136 | L734-F922 HydrophobicContact CD1-CD2 4.45Å; L734-F922 HydrophobicContact CD1-CE2 4.31Å; L734-F922 HydrophobicContact CD1-CZ 4.42Å; L734-F922 HydrophobicContact CD2-CB 4.45Å; L734-F922 HydrophobicContact CD2-CG 4.45Å; L734-F922 HydrophobicContact CG-CD2 4.47Å; V799-F922 HydrophobicContact CG1-CE1 4.49Å; V799-F922 HydrophobicContact CG1-CZ 3.82Å; F803-F922 HydrophobicContact CD2-CB 4.41Å; F803-F922 HydrophobicContact CD2-CD1 4.06Å; F803-F922 HydrophobicContact CE2-CB 4.46Å; F803-F922 HydrophobicContact CE2-CD1 4.48Å; V918-F922 HydrophobicContact CG1-CB 3.72Å; V918-F922 HydrophobicContact CG1-CD2 4.11Å; V918-F922 HydrophobicContact CG1-CG 4.42Å; N919-F922 HydrophobicContact CB-CD2 3.94Å; N919-F922 HydrophobicContact CB-CE2 4.33Å; N919-F922 PolarHBondContact O-N 3.09Å; P920-F922 VanDerWaalsContact C-N 3.32Å; P920-F922 PolarHBondContact O-N 3.11Å; F922-Q925 PolarHBondContact O-N 3.05Å; F922-L926 WeakPolarHBondContact O-CB 3.31Å; F922-L926 PolarHBondContact O-N 2.81Å; F922-F1133 HydrophobicContact CD1-CE2 4.07Å; F922-F1133 HydrophobicContact CD1-CZ 4.41Å; F922-F1133 AromaticContact CE1-CE2 3.65Å; F922-F1133 HydrophobicContact CE1-CE2 3.65Å; F922-F1133 AromaticContact CE1-CZ 3.56Å; F922-F1133 HydrophobicContact CE1-CZ 3.56Å; F922-F1133 HydrophobicContact CZ-CZ 4.3Å; F922-L1135 HydrophobicContact CZ-CD2 4.33Å; F922-P1136 HydrophobicContact CD1-CG 4.37Å; F922-P1136 HydrophobicContact CD2-CG 4.12Å; F922-P1136 HydrophobicContact CE1-CG 4.04Å; F922-P1136 HydrophobicContact CE2-CG 3.78Å; F922-P1136 HydrophobicContact CG-CG 4.41Å; F922-P1136 HydrophobicContact CZ-CG 3.75Å |
| 923 | I | 94.8 | Very high | 93 | Very high | 10 Ų | 10 | 24.3 Ų | 24.3 | 5% | 0.051 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62 | -47.2 | 175.7 | -56.8 | -176.4 | 0 | 0 | 0 | 109.7 | L910 L913 V918 N919 P920 L926 F927 | L910-I923 HydrophobicContact CD1-CG2 3.72Å; L913-I923 HydrophobicContact CB-CD1 3.94Å; L913-I923 HydrophobicContact CB-CG1 4.04Å; L913-I923 HydrophobicContact CD1-CG1 4.22Å; L913-I923 HydrophobicContact CD1-CG2 4.12Å; L913-I923 HydrophobicContact CD2-CG1 4.38Å; L913-I923 HydrophobicContact CG-CG1 4.45Å; V918-I923 HydrophobicContact CG1-CG1 4.24Å; N919-I923 PolarHBondContact O-N 3.36Å; P920-I923 WeakPolarHBondContact O-CB 3.37Å; P920-I923 PolarHBondContact O-N 2.88Å; P920-I923 VanDerWaalsContact O-N 3.11Å; I923-L926 PolarHBondContact O-N 3.26Å; I923-F927 HydrophobicContact CG2-CD2 3.88Å; I923-F927 HydrophobicContact CG2-CE2 4.19Å; I923-F927 WeakPolarHBondContact O-CD2 3.49Å; I923-F927 PolarHBondContact O-N 3.39Å |
| 924 | V | 92.2 | Very high | 93 | Very high | 78 Ų | 78 | 24.4 Ų | 24.4 | 47% | 0.473 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -63.1 | -43.6 | 176.6 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | P920 L926 F927 A928 | P920-V924 PolarHBondContact O-N 3Å; V924-L926 PolarHBondContact O-N 2.98Å; V924-F927 PolarHBondContact O-N 3.2Å; V924-A928 WeakPolarHBondContact O-CB 3.43Å; V924-A928 PolarHBondContact O-N 2.85Å |
| 925 | Q | 93.7 | Very high | 93.2 | Very high | 22 Ų | 22 | 22.2 Ų | 22.2 | 10% | 0.103 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.5 | -41.2 | 175.7 | -76.9 | 176.4 | 83.3 | 0 | 0 | 112.4 | F803 A921 F922 A928 H929 L1134 | F803-Q925 HydrophobicContact CE2-CB 3.9Å; F803-Q925 HydrophobicContact CZ-CB 3.67Å; A921-Q925 WeakPolarHBondContact O-CG 3.43Å; A921-Q925 PolarHBondContact O-N 3.03Å; A921-Q925 VanDerWaalsContact O-N 3.14Å; A921-Q925 PolarHBondContact O-NE2 3.04Å; F922-Q925 PolarHBondContact O-N 3.05Å; Q925-A928 WeakPolarHBondContact O-CB 3.13Å; Q925-H929 PolarHBondContact O-ND1 3.25Å; Q925-L1134 PolarHBondContact NE2-O 3.24Å |
| 926 | L | 95.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -69.1 | -45.5 | 178.4 | -179.8 | 60.5 | 0 | 0 | 0 | 111.6 | F803 L806 A807 C810 I909 L913 F922 I923 V924 A928 H929 L930 | F803-L926 HydrophobicContact CE2-CB 4.03Å; F803-L926 HydrophobicContact CZ-CB 4.32Å; L806-L926 HydrophobicContact CD2-CD2 3.97Å; L806-L926 HydrophobicContact CG-CD2 4Å; A807-L926 HydrophobicContact CB-CD1 3.92Å; C810-L926 HydrophobicContact CB-CD1 4.46Å; I909-L926 HydrophobicContact CG2-CD2 4.32Å; L913-L926 HydrophobicContact CD1-CD2 3.98Å; L913-L926 HydrophobicContact CD2-CD2 4.09Å; F922-L926 WeakPolarHBondContact O-CB 3.31Å; F922-L926 PolarHBondContact O-N 2.81Å; I923-L926 PolarHBondContact O-N 3.26Å; V924-L926 PolarHBondContact O-N 2.98Å; L926-A928 VanDerWaalsContact C-N 3.27Å; L926-A928 PolarHBondContact O-N 3.48Å; L926-H929 PolarHBondContact O-N 2.87Å; L926-H929 VanDerWaalsContact O-N 3.15Å; L926-L930 HydrophobicContact CG-CD1 4.21Å; L926-L930 WeakPolarHBondContact O-CG 3.26Å; L926-L930 PolarHBondContact O-N 3.2Å; L926-L930 VanDerWaalsContact O-N 3.1Å |
| 927 | F | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.5 | -27 | 178.3 | -88.3 | -86 | 0 | 0 | 0 | 113 | L906 I909 L910 L913 I923 V924 L930 L931 W978 L984 | L906-F927 HydrophobicContact CB-CE1 4.31Å; L906-F927 HydrophobicContact CD2-CE1 3.98Å; I909-F927 HydrophobicContact CG2-CZ 4.45Å; L910-F927 HydrophobicContact CB-CE2 4.21Å; L910-F927 HydrophobicContact CB-CZ 3.98Å; L910-F927 HydrophobicContact CD1-CE2 3.81Å; L910-F927 HydrophobicContact CD1-CZ 4.31Å; L913-F927 HydrophobicContact CD1-CD2 4.49Å; L913-F927 HydrophobicContact CD1-CE2 3.89Å; I923-F927 HydrophobicContact CG2-CD2 3.88Å; I923-F927 HydrophobicContact CG2-CE2 4.19Å; I923-F927 WeakPolarHBondContact O-CD2 3.49Å; I923-F927 PolarHBondContact O-N 3.39Å; V924-F927 PolarHBondContact O-N 3.2Å; F927-L930 PolarHBondContact O-N 2.9Å; F927-L931 HydrophobicContact CB-CD1 4.45Å; F927-L931 VanDerWaalsContact O-CB 3.25Å; F927-L931 WeakPolarHBondContact O-CB 3.3Å; F927-L931 WeakPolarHBondContact O-CD1 3.38Å; F927-L931 WeakPolarHBondContact O-CG 3.28Å; F927-L931 PolarHBondContact O-N 3.26Å; F927-W978 AromaticContact CE1-CH2 3.78Å; F927-W978 HydrophobicContact CE1-CH2 3.78Å; F927-W978 HydrophobicContact CE1-CZ3 4.48Å; F927-W978 HydrophobicContact CZ-CH2 4.3Å; F927-L984 HydrophobicContact CB-CD1 4.5Å; F927-L984 HydrophobicContact CB-CD2 4.28Å; F927-L984 HydrophobicContact CD1-CD1 3.83Å; F927-L984 HydrophobicContact CD2-CD1 4.07Å; F927-L984 HydrophobicContact CE1-CD1 4.04Å; F927-L984 HydrophobicContact CE2-CD1 4.28Å; F927-L984 HydrophobicContact CG-CD1 3.84Å; F927-L984 HydrophobicContact CG-CD2 4.4Å; F927-L984 HydrophobicContact CZ-CD1 4.27Å |
| 928 | A | 94.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.008 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.9 | -50.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112 | V924 Q925 L926 H932 Y991 L1129 L1131 | V924-A928 WeakPolarHBondContact O-CB 3.43Å; V924-A928 PolarHBondContact O-N 2.85Å; Q925-A928 WeakPolarHBondContact O-CB 3.13Å; L926-A928 VanDerWaalsContact C-N 3.27Å; L926-A928 PolarHBondContact O-N 3.48Å; A928-H932 VanDerWaalsContact O-CB 3.27Å; A928-H932 WeakPolarHBondContact O-CB 3.38Å; A928-H932 PolarHBondContact O-N 3.04Å; A928-Y991 HydrophobicContact CB-CD2 4.05Å; A928-Y991 HydrophobicContact CB-CE1 4.04Å; A928-Y991 HydrophobicContact CB-CE2 3.39Å; A928-L1129 HydrophobicContact CB-CD2 3.88Å; A928-L1131 HydrophobicContact CB-CD1 4.32Å |
| 929 | H | 93.7 | Very high | 93.8 | Very high | 43 Ų | 43 | 18.6 Ų | 18.6 | 20% | 0.199 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 178.3 | -68 | 80 | 0 | 0 | 0 | 111.8 | Q925 L926 R933 | Q925-H929 PolarHBondContact O-ND1 3.25Å; L926-H929 PolarHBondContact O-N 2.87Å; L926-H929 VanDerWaalsContact O-N 3.15Å; H929-R933 WeakPolarHBondContact O-CB 3.28Å; H929-R933 PolarHBondContact O-N 2.96Å |
| 930 | L | 95.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68.2 | -41.5 | -179.5 | -62 | 177 | 0 | 0 | 0 | 113 | C810 V811 L814 L906 I909 L926 F927 R933 L934 | C810-L930 HydrophobicContact CB-CD1 4.08Å; C810-L930 HydrophobicContact CB-CD2 3.65Å; C810-L930 HydrophobicContact CB-CG 4.4Å; V811-L930 HydrophobicContact CG2-CD2 3.93Å; L814-L930 HydrophobicContact CD2-CD2 4.47Å; L906-L930 HydrophobicContact CD2-CD1 4.45Å; I909-L930 HydrophobicContact CD1-CD1 4.36Å; I909-L930 HydrophobicContact CG2-CD1 4.42Å; L926-L930 HydrophobicContact CG-CD1 4.21Å; L926-L930 WeakPolarHBondContact O-CG 3.26Å; L926-L930 PolarHBondContact O-N 3.2Å; L926-L930 VanDerWaalsContact O-N 3.1Å; F927-L930 PolarHBondContact O-N 2.9Å; L930-R933 PolarHBondContact O-N 3.49Å; L930-L934 VanDerWaalsContact O-CB 3.29Å; L930-L934 WeakPolarHBondContact O-CB 3.42Å; L930-L934 PolarHBondContact O-N 3.3Å |
| 931 | L | 95.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -71 | -35.7 | 177.7 | -67.7 | 166.1 | 0 | 0 | 0 | 111.6 | F927 N935 A987 Y991 L992 | F927-L931 HydrophobicContact CB-CD1 4.45Å; F927-L931 VanDerWaalsContact O-CB 3.25Å; F927-L931 WeakPolarHBondContact O-CB 3.3Å; F927-L931 WeakPolarHBondContact O-CD1 3.38Å; F927-L931 WeakPolarHBondContact O-CG 3.28Å; F927-L931 PolarHBondContact O-N 3.26Å; L931-N935 VanDerWaalsContact O-CB 3.31Å; L931-N935 WeakPolarHBondContact O-CB 3.42Å; L931-N935 PolarHBondContact O-N 3.24Å; L931-A987 HydrophobicContact CD1-CB 3.9Å; L931-Y991 HydrophobicContact CB-CG 4.44Å; L931-L992 HydrophobicContact CD2-CD1 3.87Å |
| 932 | H | 94.7 | Very high | 93.8 | Very high | 16 Ų | 16 | 18.1 Ų | 18.1 | 7% | 0.074 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67 | -43.9 | 172.1 | 179.5 | 75.3 | 0 | 0 | 0 | 112.1 | A928 L934 N935 A936 Y991 S1126 L1129 | A928-H932 VanDerWaalsContact O-CB 3.27Å; A928-H932 WeakPolarHBondContact O-CB 3.38Å; A928-H932 PolarHBondContact O-N 3.04Å; H932-L934 VanDerWaalsContact C-N 3.31Å; H932-L934 PolarHBondContact O-N 2.87Å; H932-N935 WeakPolarHBondContact O-CB 3.29Å; H932-N935 PolarHBondContact O-N 3.39Å; H932-A936 WeakPolarHBondContact O-CB 3.28Å; H932-A936 PolarHBondContact O-N 2.99Å; H932-Y991 HydrophobicContact CB-CD1 4.37Å; H932-S1126 PolarHBondContact NE2-O 3.21Å; H932-L1129 HydrophobicContact CB-CB 4.2Å; H932-L1129 HydrophobicContact CB-CD1 4.37Å; H932-L1129 HydrophobicContact CB-CD2 4.01Å; H932-L1129 HydrophobicContact CB-CG 4.43Å |
| 933 | R | 94.4 | Very high | 93.5 | Very high | 33 Ų | 33 | 18.1 Ų | 18.1 | 13% | 0.125 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59 | -44.5 | 175.6 | -170.7 | 64.6 | 159.1 | -143.1 | -4 | 111.5 | V811 L814 D815 H929 L930 R937 L1127 D1128 | V811-R933 HydrophobicContact CG1-CG 4.09Å; V811-R933 HydrophobicContact CG2-CG 4.47Å; L814-R933 HydrophobicContact CD2-CB 4.1Å; L814-R933 HydrophobicContact CD2-CG 4.18Å; D815-R933 IonicContact OD1-NE 3.5Å; D815-R933 PolarHBondContact OD1-NE 3.29Å; D815-R933 IonicContact OD2-CZ 3.28Å; D815-R933 VanDerWaalsContact OD2-CZ 3.3Å; D815-R933 IonicContact OD2-NE 3.99Å; D815-R933 PolarHBondContact OD2-NE 3.36Å; D815-R933 IonicContact OD2-NH2 2.78Å; D815-R933 PolarHBondContact OD2-NH2 2.92Å; H929-R933 WeakPolarHBondContact O-CB 3.28Å; H929-R933 PolarHBondContact O-N 2.96Å; L930-R933 PolarHBondContact O-N 3.49Å; R933-R937 HydrophobicContact CG-CG 4.43Å; R933-R937 VanDerWaalsContact O-CB 3.26Å; R933-R937 WeakPolarHBondContact O-CB 3.47Å; R933-R937 VanDerWaalsContact O-CG 3.27Å; R933-R937 WeakPolarHBondContact O-CG 3.45Å; R933-R937 PolarHBondContact O-N 2.8Å; R933-L1127 WeakPolarHBondContact CD-O 3.34Å; R933-L1127 PolarHBondContact NH1-O 2.72Å; R933-D1128 IonicContact NH1-OD1 2.97Å; R933-D1128 PolarHBondContact NH1-OD1 2.88Å |
| 934 | L | 94.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.1 | -47.9 | 174.5 | 179.1 | 66.3 | 0 | 0 | 0 | 111.8 | L814 I819 L822 L930 H932 L938 W970 L975 L992 | L814-L934 HydrophobicContact CD2-CB 4.34Å; I819-L934 HydrophobicContact CD1-CD1 4.47Å; I819-L934 HydrophobicContact CG1-CD1 4.12Å; L822-L934 HydrophobicContact CD2-CD1 4.03Å; L930-L934 VanDerWaalsContact O-CB 3.29Å; L930-L934 WeakPolarHBondContact O-CB 3.42Å; L930-L934 PolarHBondContact O-N 3.3Å; H932-L934 VanDerWaalsContact C-N 3.31Å; H932-L934 PolarHBondContact O-N 2.87Å; L934-L938 HydrophobicContact CD1-CD1 3.76Å; L934-L938 HydrophobicContact CD1-CG 4.2Å; L934-L938 HydrophobicContact CG-CD1 4.01Å; L934-L938 WeakPolarHBondContact O-CB 3.45Å; L934-L938 VanDerWaalsContact O-CG 3.22Å; L934-L938 WeakPolarHBondContact O-CG 3.47Å; L934-L938 PolarHBondContact O-N 3.45Å; L934-W970 HydrophobicContact CD1-CH2 4.14Å; L934-W970 HydrophobicContact CD2-CH2 3.9Å; L934-W970 HydrophobicContact CD2-CZ3 4.32Å; L934-W970 HydrophobicContact CG-CH2 4.48Å; L934-L975 HydrophobicContact CD2-CD2 3.89Å; L934-L992 HydrophobicContact CB-CD2 4.44Å; L934-L992 HydrophobicContact CD2-CD1 4.48Å; L934-L992 HydrophobicContact CD2-CD2 3.98Å; L934-L992 HydrophobicContact CG-CD2 4.03Å |
| 935 | N | 95.2 | Very high | 92.8 | Very high | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.021 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -56.7 | -56.6 | 176 | 179 | 48.4 | 0 | 0 | 0 | 111.3 | L931 H932 R937 L938 F939 Y991 L992 I995 E1125 | L931-N935 VanDerWaalsContact O-CB 3.31Å; L931-N935 WeakPolarHBondContact O-CB 3.42Å; L931-N935 PolarHBondContact O-N 3.24Å; H932-N935 WeakPolarHBondContact O-CB 3.29Å; H932-N935 PolarHBondContact O-N 3.39Å; N935-R937 PolarHBondContact O-N 3.05Å; N935-L938 PolarHBondContact O-N 3.47Å; N935-F939 WeakPolarHBondContact O-CB 3.42Å; N935-F939 PolarHBondContact O-N 3.43Å; N935-Y991 WeakPolarHBondContact CB-O 3.32Å; N935-Y991 PolarHBondContact ND2-O 3.42Å; N935-Y991 VanDerWaalsContact ND2-O 3.11Å; N935-L992 HydrophobicContact CB-CD2 3.83Å; N935-L992 HydrophobicContact CB-CG 4.43Å; N935-I995 HydrophobicContact CB-CG2 4.47Å; N935-I995 VanDerWaalsContact OD1-CB 3.24Å; N935-I995 WeakPolarHBondContact OD1-CB 3.34Å; N935-I995 WeakPolarHBondContact OD1-CG2 3.16Å; N935-I995 PolarHBondContact OD1-N 2.91Å; N935-E1125 VanDerWaalsContact ND2-CD 3.26Å; N935-E1125 PolarHBondContact ND2-OE1 2.88Å; N935-E1125 PolarHBondContact ND2-OE2 3.01Å |
| 936 | A | 93.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.3 | -45.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H932 F939 N940 E1125 S1126 L1127 | H932-A936 WeakPolarHBondContact O-CB 3.28Å; H932-A936 PolarHBondContact O-N 2.99Å; A936-F939 PolarHBondContact O-N 3.26Å; A936-N940 VanDerWaalsContact O-CB 3.23Å; A936-N940 WeakPolarHBondContact O-CB 3.15Å; A936-N940 PolarHBondContact O-N 3.16Å; A936-N940 PolarHBondContact O-ND2 3.41Å; A936-E1125 HydrophobicContact CB-CB 4.08Å; A936-E1125 HydrophobicContact CB-CG 3.87Å; A936-S1126 VanDerWaalsContact CB-O 3.29Å; A936-S1126 WeakPolarHBondContact CB-O 3.49Å; A936-L1127 HydrophobicContact CB-CD2 3.98Å |
| 937 | R | 92.4 | Very high | 91.5 | Very high | 86 Ų | 86 | 18.3 Ų | 18.3 | 33% | 0.325 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 177.1 | -76.1 | -74.4 | -158.5 | -173.4 | 0.6 | 112.3 | D815 I819 R933 N935 F941 L1127 | D815-R937 VanDerWaalsContact CG-NE 3.35Å; D815-R937 IonicContact OD1-CZ 3.3Å; D815-R937 IonicContact OD1-NE 4Å; D815-R937 PolarHBondContact OD1-NE 3.17Å; D815-R937 IonicContact OD1-NH2 3.08Å; D815-R937 IonicContact OD2-CZ 3.89Å; D815-R937 IonicContact OD2-NE 2.81Å; D815-R937 PolarHBondContact OD2-NE 3.29Å; D815-R937 IonicContact OD2-NH2 2.93Å; D815-R937 PolarHBondContact OD2-NH2 3.47Å; I819-R937 HydrophobicContact CD1-CB 3.87Å; I819-R937 HydrophobicContact CD1-CG 3.9Å; I819-R937 HydrophobicContact CG2-CB 4.28Å; R933-R937 HydrophobicContact CG-CG 4.43Å; R933-R937 VanDerWaalsContact O-CB 3.26Å; R933-R937 WeakPolarHBondContact O-CB 3.47Å; R933-R937 VanDerWaalsContact O-CG 3.27Å; R933-R937 WeakPolarHBondContact O-CG 3.45Å; R933-R937 PolarHBondContact O-N 2.8Å; N935-R937 PolarHBondContact O-N 3.05Å; R937-F941 VanDerWaalsContact O-CB 3.27Å; R937-F941 WeakPolarHBondContact O-CB 3.15Å; R937-F941 PolarHBondContact O-N 3.48Å; R937-F941 VanDerWaalsContact O-N 3.08Å; R937-L1127 HydrophobicContact CG-CD2 4.12Å |
| 938 | L | 92.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.3 | -41.1 | 177.9 | -69.6 | 175.3 | 0 | 0 | 0 | 112 | L822 L823 L934 N935 F941 I942 W970 I995 | L822-L938 HydrophobicContact CD2-CD1 4.13Å; L822-L938 HydrophobicContact CD2-CD2 4.03Å; L823-L938 HydrophobicContact CD2-CD2 3.63Å; L823-L938 HydrophobicContact CG-CD2 4.35Å; L934-L938 HydrophobicContact CD1-CD1 3.76Å; L934-L938 HydrophobicContact CD1-CG 4.2Å; L934-L938 HydrophobicContact CG-CD1 4.01Å; L934-L938 WeakPolarHBondContact O-CB 3.45Å; L934-L938 VanDerWaalsContact O-CG 3.22Å; L934-L938 WeakPolarHBondContact O-CG 3.47Å; L934-L938 PolarHBondContact O-N 3.45Å; N935-L938 PolarHBondContact O-N 3.47Å; L938-F941 PolarHBondContact O-N 3.28Å; L938-I942 WeakPolarHBondContact O-CG1 3.39Å; L938-I942 PolarHBondContact O-N 2.88Å; L938-I942 VanDerWaalsContact O-N 3.09Å; L938-W970 HydrophobicContact CD1-CZ3 3.97Å; L938-I995 HydrophobicContact CB-CD1 3.91Å; L938-I995 HydrophobicContact CB-CG1 3.97Å |
| 939 | F | 94.2 | Very high | 89.7 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.009 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.6 | -50.3 | 179.9 | -175.9 | -103.6 | 0 | 0 | 0 | 111.7 | N935 A936 F941 I942 I943 R994 I995 A998 L1022 Q1026 E1125 | N935-F939 WeakPolarHBondContact O-CB 3.42Å; N935-F939 PolarHBondContact O-N 3.43Å; A936-F939 PolarHBondContact O-N 3.26Å; F939-F941 VanDerWaalsContact C-N 3.33Å; F939-F941 PolarHBondContact O-N 2.89Å; F939-I942 PolarHBondContact O-N 3.22Å; F939-I943 HydrophobicContact CD1-CD1 3.75Å; F939-I943 HydrophobicContact CD2-CD1 3.99Å; F939-I943 HydrophobicContact CE1-CD1 3.31Å; F939-I943 HydrophobicContact CE2-CD1 3.57Å; F939-I943 HydrophobicContact CG-CD1 4.07Å; F939-I943 HydrophobicContact CZ-CD1 3.21Å; F939-I943 WeakPolarHBondContact O-CG1 3.17Å; F939-I943 PolarHBondContact O-N 2.75Å; F939-R994 HydrophobicContact CD2-CG 3.84Å; F939-R994 HydrophobicContact CE1-CG 4.31Å; F939-R994 HydrophobicContact CE2-CG 3.56Å; F939-R994 HydrophobicContact CG-CG 4.33Å; F939-R994 HydrophobicContact CZ-CG 3.8Å; F939-I995 HydrophobicContact CB-CD1 4.2Å; F939-A998 HydrophobicContact CD2-CB 4.25Å; F939-A998 HydrophobicContact CE2-CB 4.14Å; F939-L1022 HydrophobicContact CE2-CD2 3.62Å; F939-L1022 HydrophobicContact CZ-CD2 3.97Å; F939-Q1026 HydrophobicContact CE1-CG 4.04Å; F939-Q1026 HydrophobicContact CZ-CB 4.04Å; F939-Q1026 VanDerWaalsContact CZ-CD 3.48Å; F939-Q1026 HydrophobicContact CZ-CG 3.71Å; F939-E1125 HydrophobicContact CD1-CB 3.93Å; F939-E1125 HydrophobicContact CE1-CB 4.45Å |
| 940 | N | 92.7 | Very high | 88.9 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.1 | -39.5 | 177.9 | -66.2 | -18.3 | 0 | 0 | 0 | 111.3 | A936 I943 G944 Y945 C947 G1124 E1125 | A936-N940 VanDerWaalsContact O-CB 3.23Å; A936-N940 WeakPolarHBondContact O-CB 3.15Å; A936-N940 PolarHBondContact O-N 3.16Å; A936-N940 PolarHBondContact O-ND2 3.41Å; N940-I943 PolarHBondContact O-N 3.16Å; N940-G944 PolarHBondContact O-N 2.74Å; N940-Y945 PolarHBondContact O-N 3.01Å; N940-C947 PolarHBondContact ND2-SG 3Å; N940-G1124 WeakPolarHBondContact OD1-CA 3.4Å; N940-E1125 PolarHBondContact ND2-O 2.85Å; N940-E1125 PolarHBondContact OD1-N 3.21Å |
| 941 | F | 90.4 | Very high | 88.1 | Confident | 67 Ų | 67 | 41.2 Ų | 41.2 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.6 | -47.8 | 174.7 | 177.5 | -91.4 | 0 | 0 | 0 | 112.9 | L823 R937 L938 F939 I943 G944 H958 W963 | L823-F941 HydrophobicContact CD1-CB 4.44Å; L823-F941 HydrophobicContact CD1-CD1 4.43Å; L823-F941 HydrophobicContact CD1-CD2 3.71Å; L823-F941 HydrophobicContact CD1-CE2 4.02Å; L823-F941 HydrophobicContact CD1-CG 3.92Å; L823-F941 HydrophobicContact CD2-CB 4.3Å; L823-F941 HydrophobicContact CD2-CD1 3.45Å; L823-F941 VanDerWaalsContact CD2-CD1 3.45Å; L823-F941 HydrophobicContact CD2-CD2 4.25Å; L823-F941 HydrophobicContact CD2-CE1 3.75Å; L823-F941 HydrophobicContact CD2-CE2 4.49Å; L823-F941 HydrophobicContact CD2-CG 3.73Å; L823-F941 HydrophobicContact CD2-CZ 4.26Å; L823-F941 HydrophobicContact CG-CG 4.47Å; R937-F941 VanDerWaalsContact O-CB 3.27Å; R937-F941 WeakPolarHBondContact O-CB 3.15Å; R937-F941 PolarHBondContact O-N 3.48Å; R937-F941 VanDerWaalsContact O-N 3.08Å; L938-F941 PolarHBondContact O-N 3.28Å; F939-F941 VanDerWaalsContact C-N 3.33Å; F939-F941 PolarHBondContact O-N 2.89Å; F941-I943 VanDerWaalsContact C-N 3.31Å; F941-I943 PolarHBondContact O-N 3.17Å; F941-G944 PolarHBondContact O-N 3.35Å; F941-G944 VanDerWaalsContact O-N 3.13Å; F941-H958 AromaticContact CE1-CD2 3.77Å; F941-H958 AromaticContact CE1-CE1 3.63Å; F941-H958 AromaticContact CE1-CG 3.71Å; F941-H958 AromaticContact CE1-ND1 3.62Å; F941-H958 AromaticContact CE1-NE2 3.75Å; F941-H958 AromaticContact CZ-CD2 3.99Å; F941-H958 AromaticContact CZ-CE1 3.56Å; F941-H958 AromaticContact CZ-NE2 3.54Å; F941-W963 HydrophobicContact CE1-CH2 4.05Å |
| 942 | I | 90 | Very high | 87.4 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.3 | -38 | -177.5 | -72.1 | 176.7 | 0 | 0 | 0 | 111.9 | L938 F939 G944 H958 I959 L967 I995 M1002 | L938-I942 WeakPolarHBondContact O-CG1 3.39Å; L938-I942 PolarHBondContact O-N 2.88Å; L938-I942 VanDerWaalsContact O-N 3.09Å; F939-I942 PolarHBondContact O-N 3.22Å; I942-G944 VanDerWaalsContact C-N 3.26Å; I942-G944 PolarHBondContact O-N 2.61Å; I942-H958 HydrophobicContact CB-CB 4.45Å; I942-H958 HydrophobicContact CG1-CB 4.37Å; I942-H958 HydrophobicContact CG2-CB 4.39Å; I942-I959 HydrophobicContact CG2-CG1 3.91Å; I942-I959 WeakPolarHBondContact O-CG1 3.22Å; I942-L967 HydrophobicContact CD1-CD2 3.44Å; I942-L967 VanDerWaalsContact CD1-CD2 3.44Å; I942-I995 HydrophobicContact CD1-CD1 3.8Å; I942-M1002 HydrophobicContact CG2-CE 4.39Å; I942-M1002 HydrophobicContact CG2-SD 4.08Å |
| 943 | I | 89.1 | Confident | 86.5 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -77.6 | -14.4 | 179.5 | -65.3 | 168.4 | 0 | 0 | 0 | 111.9 | F939 N940 F941 Y945 L952 I1029 V1123 | F939-I943 HydrophobicContact CD1-CD1 3.75Å; F939-I943 HydrophobicContact CD2-CD1 3.99Å; F939-I943 HydrophobicContact CE1-CD1 3.31Å; F939-I943 HydrophobicContact CE2-CD1 3.57Å; F939-I943 HydrophobicContact CG-CD1 4.07Å; F939-I943 HydrophobicContact CZ-CD1 3.21Å; F939-I943 WeakPolarHBondContact O-CG1 3.17Å; F939-I943 PolarHBondContact O-N 2.75Å; N940-I943 PolarHBondContact O-N 3.16Å; F941-I943 VanDerWaalsContact C-N 3.31Å; F941-I943 PolarHBondContact O-N 3.17Å; I943-Y945 VanDerWaalsContact C-N 3.33Å; I943-L952 HydrophobicContact CG2-CD2 3.62Å; I943-I1029 HydrophobicContact CG2-CG2 3.95Å; I943-V1123 HydrophobicContact CG2-CG1 4.31Å |
| 944 | G | 86.4 | Confident | 84.9 | Confident | 12 Ų | 12 | 53.4 Ų | 53.4 | 12% | 0.124 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 27.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | N940 F941 I942 I953 | N940-G944 PolarHBondContact O-N 2.74Å; F941-G944 PolarHBondContact O-N 3.35Å; F941-G944 VanDerWaalsContact O-N 3.13Å; I942-G944 VanDerWaalsContact C-N 3.26Å; I942-G944 PolarHBondContact O-N 2.61Å; G944-I953 WeakPolarHBondContact O-CB 3.4Å; G944-I953 PolarHBondContact O-N 2.93Å |
| 945 | Y | 86.9 | Confident | 83.2 | Confident | 30 Ų | 30 | 58.7 Ų | 58.7 | 12% | 0.118 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 113.6 | -179.6 | -165.6 | -95 | 0 | 0 | 0 | 112 | N940 I943 N950 L952 V1123 | N940-Y945 PolarHBondContact O-N 3.01Å; I943-Y945 VanDerWaalsContact C-N 3.33Å; Y945-N950 PolarHBondContact OH-OD1 3.43Å; Y945-L952 HydrophobicContact CD2-CD2 3.94Å; Y945-L952 HydrophobicContact CD2-CG 4.28Å; Y945-V1123 HydrophobicContact CD2-CB 4.02Å; Y945-V1123 HydrophobicContact CD2-CG1 3.64Å; Y945-V1123 HydrophobicContact CE2-CB 3.74Å; Y945-V1123 HydrophobicContact CE2-CG1 3.9Å |
| 946 | D | 83 | Confident | 81.7 | Confident | 25 Ų | 25 | 58.8 Ų | 58.8 | 13% | 0.134 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 114.8 | 172.8 | -168.1 | -48.6 | 0 | 0 | 0 | 109.8 | E948 K949 N950 Q951 I953 | D946-E948 VanDerWaalsContact C-N 3.35Å; D946-E948 PolarHBondContact OD1-N 3.33Å; D946-K949 HydrophobicContact CB-CB 4.11Å; D946-K949 PolarHBondContact OD1-N 2.91Å; D946-K949 IonicContact OD1-NZ 2.74Å; D946-K949 VanDerWaalsContact OD2-CD 3.22Å; D946-K949 WeakPolarHBondContact OD2-CD 3.48Å; D946-K949 WeakPolarHBondContact OD2-CE 3.44Å; D946-K949 IonicContact OD2-NZ 2.77Å; D946-K949 PolarHBondContact OD2-NZ 3.29Å; D946-N950 WeakPolarHBondContact O-CA 3.3Å; D946-N950 PolarHBondContact O-N 3.38Å; D946-Q951 WeakPolarHBondContact CB-O 3.5Å; D946-Q951 PolarHBondContact N-O 3.23Å; D946-Q951 PolarHBondContact O-N 3.42Å; D946-Q951 VanDerWaalsContact O-N 3.14Å; D946-I953 HydrophobicContact CB-CD1 4.08Å; D946-I953 HydrophobicContact CB-CG1 4.11Å |
| 947 | C | 78.4 | Confident | 80.3 | Confident | 47 Ų | 47 | 61.7 Ų | 61.7 | 32% | 0.318 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -28.1 | -177.6 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | N940 L1127 | N940-C947 PolarHBondContact ND2-SG 3Å; C947-L1127 HydrophobicContact CB-CD1 4.05Å; C947-L1127 HydrophobicContact CB-CG 4.46Å |
| 948 | E | 73.7 | Confident | 79.9 | Confident | 171 Ų | 171 | 59 Ų | 59 | 80% | 0.799 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -41.1 | -176 | -60.7 | 173.1 | 178.8 | 0 | 0 | 110.7 | D946 N950 | D946-E948 VanDerWaalsContact C-N 3.35Å; D946-E948 PolarHBondContact OD1-N 3.33Å; E948-N950 VanDerWaalsContact C-N 3.27Å |
| 949 | K | 78 | Confident | 79.6 | Confident | 121 Ų | 121 | 59 Ų | 59 | 53% | 0.526 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -10.1 | 175.4 | -57.6 | 173.7 | -163.6 | 61.9 | 0 | 111.7 | D946 Q951 | D946-K949 HydrophobicContact CB-CB 4.11Å; D946-K949 PolarHBondContact OD1-N 2.91Å; D946-K949 IonicContact OD1-NZ 2.74Å; D946-K949 VanDerWaalsContact OD2-CD 3.22Å; D946-K949 WeakPolarHBondContact OD2-CD 3.48Å; D946-K949 WeakPolarHBondContact OD2-CE 3.44Å; D946-K949 IonicContact OD2-NZ 2.77Å; D946-K949 PolarHBondContact OD2-NZ 3.29Å; K949-Q951 HydrophobicContact CB-CB 4.29Å; K949-Q951 WeakPolarHBondContact O-CG 3.28Å; K949-Q951 PolarHBondContact O-N 2.97Å; K949-Q951 PolarHBondContact O-NE2 3.04Å |
| 950 | N | 76 | Confident | 79.3 | Confident | 107 Ų | 107 | 59 Ų | 59 | 57% | 0.572 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 42.5 | -177.1 | -151.8 | 37.8 | 0 | 0 | 0 | 112.4 | Y945 D946 E948 | Y945-N950 PolarHBondContact OH-OD1 3.43Å; D946-N950 WeakPolarHBondContact O-CA 3.3Å; D946-N950 PolarHBondContact O-N 3.38Å; E948-N950 VanDerWaalsContact C-N 3.27Å |
| 951 | Q | 80.1 | Confident | 79.1 | Confident | 127 Ų | 127 | 60.6 Ų | 60.6 | 59% | 0.593 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 152.9 | -165.1 | -86.6 | 169.2 | 79.4 | 0 | 0 | 111.8 | D946 K949 | D946-Q951 WeakPolarHBondContact CB-O 3.5Å; D946-Q951 PolarHBondContact N-O 3.23Å; D946-Q951 PolarHBondContact O-N 3.42Å; D946-Q951 VanDerWaalsContact O-N 3.14Å; K949-Q951 HydrophobicContact CB-CB 4.29Å; K949-Q951 WeakPolarHBondContact O-CG 3.28Å; K949-Q951 PolarHBondContact O-N 2.97Å; K949-Q951 PolarHBondContact O-NE2 3.04Å |
| 952 | L | 79 | Confident | 79 | Confident | 69 Ų | 69 | 59 Ų | 59 | 36% | 0.361 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 127.5 | 169.5 | -70.8 | 165.2 | 0 | 0 | 0 | 110.3 | I943 Y945 I1029 V1123 | I943-L952 HydrophobicContact CG2-CD2 3.62Å; Y945-L952 HydrophobicContact CD2-CD2 3.94Å; Y945-L952 HydrophobicContact CD2-CG 4.28Å; L952-I1029 HydrophobicContact CD1-CD1 3.81Å; L952-I1029 HydrophobicContact CD1-CG1 4.39Å; L952-V1123 HydrophobicContact CD1-CG1 4.41Å; L952-V1123 HydrophobicContact CD2-CG1 3.96Å; L952-V1123 HydrophobicContact CG-CG1 4.36Å |
| 953 | I | 77 | Confident | 79 | Confident | 100 Ų | 100 | 59.1 Ų | 59.1 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | trans | -82.3 | 111.7 | 169 | -56.1 | 176.1 | 0 | 0 | 0 | 107.4 | G944 D946 | G944-I953 WeakPolarHBondContact O-CB 3.4Å; G944-I953 PolarHBondContact O-N 2.93Å; D946-I953 HydrophobicContact CB-CD1 4.08Å; D946-I953 HydrophobicContact CB-CG1 4.11Å | ||
| 954 | N | 60.3 | Low | 79.1 | Confident | 137 Ų | 137 | 59 Ų | 59 | 73% | 0.733 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -59.5 | 144.1 | 178.3 | -66.7 | -24 | 0 | 0 | 0 | 111.5 | ||
| 955 | N | 58.8 | Low | 79.3 | Confident | 113 Ų | 113 | 63.7 Ų | 63.7 | 60% | 0.604 | 32% | 0.323 | S | S | * | . | trans | 79.6 | 50.7 | -175.2 | -52.2 | -0.1 | 0 | 0 | 0 | 115.6 | T957 Y1597 | N955-T957 PolarHBondContact O-N 3.3Å; N955-Y1597 HydrophobicContact CB-CE2 4.14Å; N955-Y1597 PolarHBondContact O-OH 2.8Å; N955-Y1597 VanDerWaalsContact O-OH 3.07Å | ||
| 956 | S | 62.9 | Low | 79.4 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 5% | 0.049 | 32% | 0.319 | C | S | . | . | trans | -67.8 | 85.2 | 171 | 59.5 | 0 | 0 | 0 | 0 | 112.6 | H958 N1033 | S956-H958 PolarHBondContact O-N 2.84Å; S956-N1033 PolarHBondContact OG-ND2 2.95Å | ||
| 957 | T | 65.1 | Low | 79.9 | Confident | 60 Ų | 60 | 61.3 Ų | 61.3 | 37% | 0.368 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | 16.6 | 178.2 | 45.3 | 0 | 0 | 0 | 0 | 115.1 | N955 Y1597 | N955-T957 PolarHBondContact O-N 3.3Å; T957-Y1597 WeakPolarHBondContact CG2-OH 3.17Å; T957-Y1597 PolarHBondContact OG1-OH 3.36Å; T957-Y1597 VanDerWaalsContact OG1-OH 3.1Å |
| 958 | H | 82.7 | Confident | 80.5 | Confident | 31 Ų | 31 | 63 Ų | 63 | 14% | 0.144 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -4.2 | -174.4 | -57.4 | -64.9 | 0 | 0 | 0 | 113.3 | F941 I942 S956 S960 W963 M1002 | F941-H958 AromaticContact CE1-CD2 3.77Å; F941-H958 AromaticContact CE1-CE1 3.63Å; F941-H958 AromaticContact CE1-CG 3.71Å; F941-H958 AromaticContact CE1-ND1 3.62Å; F941-H958 AromaticContact CE1-NE2 3.75Å; F941-H958 AromaticContact CZ-CD2 3.99Å; F941-H958 AromaticContact CZ-CE1 3.56Å; F941-H958 AromaticContact CZ-NE2 3.54Å; I942-H958 HydrophobicContact CB-CB 4.45Å; I942-H958 HydrophobicContact CG1-CB 4.37Å; I942-H958 HydrophobicContact CG2-CB 4.39Å; S956-H958 PolarHBondContact O-N 2.84Å; H958-S960 PolarHBondContact O-N 2.66Å; H958-W963 HydrophobicContact CB-CD2 4.28Å; H958-W963 HydrophobicContact CB-CG 4.5Å; H958-W963 AromaticContact CE1-CZ2 3.77Å; H958-W963 AromaticContact ND1-CE2 3.25Å; H958-W963 VanDerWaalsContact ND1-CE2 3.25Å; H958-W963 AromaticContact ND1-CH2 3.78Å; H958-W963 AromaticContact ND1-CZ2 3.06Å; H958-W963 WeakPolarHBondContact ND1-CZ2 3.38Å; H958-W963 AromaticContact ND1-NE1 3.48Å; H958-W963 PolarHBondContact ND1-NE1 3.17Å; H958-W963 WeakPolarHBondContact O-CB 3.36Å; H958-M1002 VanDerWaalsContact O-CE 3.3Å; H958-M1002 WeakPolarHBondContact O-CE 3.4Å |
| 959 | I | 87.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | trans | -99.5 | 77.8 | -177.6 | -53.8 | 176.3 | 0 | 0 | 0 | 109.5 | I942 M1002 I1030 N1033 Y1034 Q1035 | I942-I959 HydrophobicContact CG2-CG1 3.91Å; I942-I959 WeakPolarHBondContact O-CG1 3.22Å; I959-M1002 HydrophobicContact CG2-CG 4.3Å; I959-M1002 HydrophobicContact CG2-SD 4.48Å; I959-I1030 HydrophobicContact CG2-CG2 4.13Å; I959-I1030 WeakPolarHBondContact CG2-O 3.29Å; I959-N1033 HydrophobicContact CB-CB 4.49Å; I959-N1033 HydrophobicContact CD1-CB 3.74Å; I959-Y1034 HydrophobicContact CG2-CD2 4.48Å; I959-Q1035 PolarHBondContact O-N 3.44Å | ||
| 960 | S | 88.1 | Confident | 81.9 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -140.2 | 161 | 176.7 | 80.9 | 0 | 0 | 0 | 0 | 112.4 | H958 I962 W963 G964 M1002 Q1035 | H958-S960 PolarHBondContact O-N 2.66Å; S960-I962 PolarHBondContact O-N 2.83Å; S960-W963 PolarHBondContact O-N 3.34Å; S960-W963 PolarHBondContact OG-N 3.38Å; S960-G964 PolarHBondContact O-N 2.88Å; S960-M1002 WeakPolarHBondContact O-CE 3.49Å; S960-Q1035 WeakPolarHBondContact CB-O 3.02Å |
| 961 | P | 88.2 | Confident | 82.6 | Confident | 37 Ų | 37 | 45.9 Ų | 45.9 | 24% | 0.24 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.4 | -31.4 | 177.4 | -18.2 | 25.5 | 0 | 0 | 0 | 113.4 | G964 K965 Q1035 | P961-G964 PolarHBondContact O-N 3.28Å; P961-K965 WeakPolarHBondContact O-CB 3.49Å; P961-K965 PolarHBondContact O-N 3.05Å; P961-Q1035 VanDerWaalsContact CD-O 3.22Å; P961-Q1035 WeakPolarHBondContact CD-O 3.29Å |
| 962 | I | 87.8 | Confident | 83.1 | Confident | 35 Ų | 35 | 42.5 Ų | 42.5 | 18% | 0.179 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.8 | -41.6 | -179.3 | -52.2 | -174.1 | 0 | 0 | 0 | 110.2 | V830 L833 S960 K965 C966 I1037 | V830-I962 HydrophobicContact CB-CG2 4.26Å; V830-I962 HydrophobicContact CG1-CB 4.23Å; V830-I962 HydrophobicContact CG1-CG2 3.91Å; V830-I962 HydrophobicContact CG2-CG2 4.21Å; L833-I962 HydrophobicContact CB-CG2 3.55Å; L833-I962 HydrophobicContact CD1-CG2 3.87Å; L833-I962 HydrophobicContact CG-CG2 4.38Å; S960-I962 PolarHBondContact O-N 2.83Å; I962-K965 PolarHBondContact O-N 2.73Å; I962-C966 PolarHBondContact O-N 3Å; I962-C966 PolarHBondContact O-SG 3.38Å; I962-C966 VanDerWaalsContact O-SG 3.4Å; I962-I1037 HydrophobicContact CD1-CD1 3.81Å; I962-I1037 HydrophobicContact CG1-CD1 4.18Å |
| 963 | W | 90.7 | Very high | 83.4 | Confident | 8 Ų | 8 | 44 Ų | 44 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.4 | -46.6 | 170.1 | -94.9 | 101.1 | 0 | 0 | 0 | 111.6 | L826 T827 V830 F941 H958 S960 K965 C966 L967 M1002 | L826-W963 HydrophobicContact CB-CE3 4.44Å; L826-W963 HydrophobicContact CB-CH2 3.86Å; L826-W963 HydrophobicContact CB-CZ3 3.58Å; L826-W963 HydrophobicContact CD1-CZ3 4.29Å; T827-W963 HydrophobicContact CG2-CZ2 4.42Å; T827-W963 WeakPolarHBondContact OG1-CH2 3.4Å; T827-W963 WeakPolarHBondContact OG1-CZ2 3.48Å; V830-W963 HydrophobicContact CG1-CG 4.43Å; V830-W963 HydrophobicContact CG2-CB 4.35Å; V830-W963 HydrophobicContact CG2-CD2 3.77Å; V830-W963 HydrophobicContact CG2-CE3 4.41Å; V830-W963 HydrophobicContact CG2-CG 3.75Å; F941-W963 HydrophobicContact CE1-CH2 4.05Å; H958-W963 HydrophobicContact CB-CD2 4.28Å; H958-W963 HydrophobicContact CB-CG 4.5Å; H958-W963 AromaticContact CE1-CZ2 3.77Å; H958-W963 AromaticContact ND1-CE2 3.25Å; H958-W963 VanDerWaalsContact ND1-CE2 3.25Å; H958-W963 AromaticContact ND1-CH2 3.78Å; H958-W963 AromaticContact ND1-CZ2 3.06Å; H958-W963 WeakPolarHBondContact ND1-CZ2 3.38Å; H958-W963 AromaticContact ND1-NE1 3.48Å; H958-W963 PolarHBondContact ND1-NE1 3.17Å; H958-W963 WeakPolarHBondContact O-CB 3.36Å; S960-W963 PolarHBondContact O-N 3.34Å; S960-W963 PolarHBondContact OG-N 3.38Å; W963-K965 VanDerWaalsContact C-N 3.29Å; W963-K965 PolarHBondContact O-N 3.34Å; W963-C966 PolarHBondContact O-N 3.02Å; W963-L967 VanDerWaalsContact O-CB 3.26Å; W963-L967 WeakPolarHBondContact O-CB 3.37Å; W963-L967 PolarHBondContact O-N 3.3Å; W963-M1002 HydrophobicContact CB-CE 3.76Å |
| 964 | G | 91.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.4 | -43.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S960 P961 L967 Y968 | S960-G964 PolarHBondContact O-N 2.88Å; P961-G964 PolarHBondContact O-N 3.28Å; G964-L967 PolarHBondContact O-N 2.8Å; G964-Y968 WeakPolarHBondContact O-CB 3.28Å; G964-Y968 PolarHBondContact O-N 3.17Å |
| 965 | K | 89.8 | Confident | 85.4 | Confident | 110 Ų | 110 | 33.4 Ų | 33.4 | 48% | 0.478 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66 | -44.2 | 177.5 | -169.2 | 173.4 | -176.5 | 175 | 0 | 113.4 | P961 I962 W963 L967 N969 L1003 | P961-K965 WeakPolarHBondContact O-CB 3.49Å; P961-K965 PolarHBondContact O-N 3.05Å; I962-K965 PolarHBondContact O-N 2.73Å; W963-K965 VanDerWaalsContact C-N 3.29Å; W963-K965 PolarHBondContact O-N 3.34Å; K965-L967 VanDerWaalsContact C-N 3.35Å; K965-N969 VanDerWaalsContact O-CB 3.31Å; K965-N969 WeakPolarHBondContact O-CB 3.47Å; K965-N969 VanDerWaalsContact O-CG 3.31Å; K965-N969 PolarHBondContact O-N 3.3Å; K965-N969 PolarHBondContact O-OD1 3.31Å; K965-L1003 HydrophobicContact CB-CD2 4.03Å |
| 966 | C | 90 | Very high | 86.8 | Confident | 4 Ų | 4 | 28.3 Ų | 28.3 | 3% | 0.027 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63 | -43.6 | 176.8 | -71.6 | 0 | 0 | 0 | 0 | 111.6 | L826 V830 I962 W963 W970 | L826-C966 HydrophobicContact CD2-CB 4.14Å; V830-C966 HydrophobicContact CG2-CB 4.19Å; I962-C966 PolarHBondContact O-N 3Å; I962-C966 PolarHBondContact O-SG 3.38Å; I962-C966 VanDerWaalsContact O-SG 3.4Å; W963-C966 PolarHBondContact O-N 3.02Å; C966-W970 WeakPolarHBondContact O-CB 3.34Å; C966-W970 PolarHBondContact O-N 3.34Å; C966-W970 VanDerWaalsContact O-N 3.07Å |
| 967 | L | 91.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.9 | -48.5 | -179.6 | -177.9 | 66.4 | 0 | 0 | 0 | 112.2 | L826 I942 W963 G964 K965 N969 W970 I971 I995 A999 | L826-L967 HydrophobicContact CD1-CD1 4.41Å; I942-L967 HydrophobicContact CD1-CD2 3.44Å; I942-L967 VanDerWaalsContact CD1-CD2 3.44Å; W963-L967 VanDerWaalsContact O-CB 3.26Å; W963-L967 WeakPolarHBondContact O-CB 3.37Å; W963-L967 PolarHBondContact O-N 3.3Å; G964-L967 PolarHBondContact O-N 2.8Å; K965-L967 VanDerWaalsContact C-N 3.35Å; L967-N969 PolarHBondContact O-N 2.89Å; L967-W970 PolarHBondContact O-N 3.47Å; L967-W970 VanDerWaalsContact O-N 3.17Å; L967-I971 HydrophobicContact CD1-CD1 3.99Å; L967-I971 HydrophobicContact CD1-CG1 4.43Å; L967-I971 HydrophobicContact CG-CD1 3.87Å; L967-I971 WeakPolarHBondContact O-CG1 3.34Å; L967-I971 PolarHBondContact O-N 3.17Å; L967-I995 HydrophobicContact CD1-CD1 4.44Å; L967-I995 HydrophobicContact CD1-CG1 4.04Å; L967-I995 HydrophobicContact CD2-CD1 3.76Å; L967-I995 HydrophobicContact CD2-CG1 3.93Å; L967-I995 HydrophobicContact CG-CG1 4.35Å; L967-A999 HydrophobicContact CD2-CB 3.95Å; L967-A999 HydrophobicContact CG-CB 4.21Å |
| 968 | Y | 92.3 | Very high | 89.1 | Confident | 83 Ų | 83 | 30.7 Ų | 30.7 | 33% | 0.325 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -57.1 | -47.8 | 176 | -179.5 | -83.9 | 0 | 0 | 0 | 111 | G964 W970 I971 H972 D1000 L1003 | G964-Y968 WeakPolarHBondContact O-CB 3.28Å; G964-Y968 PolarHBondContact O-N 3.17Å; Y968-W970 VanDerWaalsContact C-N 3.35Å; Y968-W970 PolarHBondContact O-N 3.08Å; Y968-I971 PolarHBondContact O-N 3.24Å; Y968-H972 AromaticContact CD2-CD2 3.46Å; Y968-H972 VanDerWaalsContact CD2-CD2 3.46Å; Y968-H972 WeakPolarHBondContact CD2-CD2 3.11Å; Y968-H972 AromaticContact CD2-NE2 3.97Å; Y968-H972 HydrophobicContact CE1-CB 4.23Å; Y968-H972 AromaticContact CE2-CD2 3.5Å; Y968-H972 VanDerWaalsContact CE2-CD2 3.5Å; Y968-H972 WeakPolarHBondContact CE2-CD2 3.46Å; Y968-H972 AromaticContact CE2-NE2 3.93Å; Y968-H972 AromaticContact CG-CD2 3.85Å; Y968-H972 AromaticContact CZ-CD2 3.91Å; Y968-H972 WeakPolarHBondContact O-CB 3.43Å; Y968-H972 PolarHBondContact O-CD2 3.47Å; Y968-H972 PolarHBondContact O-N 3.47Å; Y968-D1000 WeakPolarHBondContact CE2-OD1 3.4Å; Y968-L1003 HydrophobicContact CD1-CD1 4.47Å; Y968-L1003 HydrophobicContact CD2-CD1 4.01Å; Y968-L1003 HydrophobicContact CG-CD1 3.79Å |
| 969 | N | 89.8 | Confident | 89.6 | Confident | 29 Ų | 29 | 29.2 Ų | 29.2 | 16% | 0.155 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.7 | -47.2 | 175.6 | -81.3 | 28.3 | 0 | 0 | 0 | 111.4 | Y891 K965 L967 L973 | Y891-N969 PolarHBondContact OH-ND2 2.71Å; K965-N969 VanDerWaalsContact O-CB 3.31Å; K965-N969 WeakPolarHBondContact O-CB 3.47Å; K965-N969 VanDerWaalsContact O-CG 3.31Å; K965-N969 PolarHBondContact O-N 3.3Å; K965-N969 PolarHBondContact O-OD1 3.31Å; L967-N969 PolarHBondContact O-N 2.89Å; N969-L973 HydrophobicContact CB-CD1 4.18Å; N969-L973 WeakPolarHBondContact O-CA 2.99Å; N969-L973 VanDerWaalsContact O-CB 3.25Å; N969-L973 WeakPolarHBondContact O-CB 3.37Å; N969-L973 PolarHBondContact O-N 3.29Å |
| 970 | W | 90.5 | Very high | 89.6 | Confident | 5 Ų | 5 | 31.5 Ų | 31.5 | 2% | 0.019 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.3 | -40.2 | -178.3 | -176.1 | 75.3 | 0 | 0 | 0 | 113 | L822 L826 T902 L934 L938 C966 L967 Y968 C974 L975 | L822-W970 HydrophobicContact CD1-CD2 3.94Å; L822-W970 HydrophobicContact CD1-CE3 4.47Å; L822-W970 HydrophobicContact CD1-CG 4.38Å; L822-W970 HydrophobicContact CD1-CH2 4.31Å; L822-W970 HydrophobicContact CD1-CZ2 3.77Å; L822-W970 HydrophobicContact CD2-CE3 4.33Å; L822-W970 HydrophobicContact CD2-CH2 3.37Å; L822-W970 HydrophobicContact CD2-CZ2 3.6Å; L822-W970 HydrophobicContact CD2-CZ3 3.78Å; L822-W970 HydrophobicContact CG-CH2 4.49Å; L822-W970 HydrophobicContact CG-CZ2 4.35Å; L826-W970 HydrophobicContact CD2-CB 4.35Å; T902-W970 HydrophobicContact CG2-CH2 4.35Å; T902-W970 HydrophobicContact CG2-CZ2 4.04Å; L934-W970 HydrophobicContact CD1-CH2 4.14Å; L934-W970 HydrophobicContact CD2-CH2 3.9Å; L934-W970 HydrophobicContact CD2-CZ3 4.32Å; L934-W970 HydrophobicContact CG-CH2 4.48Å; L938-W970 HydrophobicContact CD1-CZ3 3.97Å; C966-W970 WeakPolarHBondContact O-CB 3.34Å; C966-W970 PolarHBondContact O-N 3.34Å; C966-W970 VanDerWaalsContact O-N 3.07Å; L967-W970 PolarHBondContact O-N 3.47Å; L967-W970 VanDerWaalsContact O-N 3.17Å; Y968-W970 VanDerWaalsContact C-N 3.35Å; Y968-W970 PolarHBondContact O-N 3.08Å; W970-C974 VanDerWaalsContact O-CB 3.31Å; W970-C974 WeakPolarHBondContact O-CB 3.24Å; W970-L975 HydrophobicContact CH2-CD2 3.79Å; W970-L975 HydrophobicContact CZ2-CD2 4.47Å; W970-L975 HydrophobicContact CZ3-CD2 3.88Å; W970-L975 PolarHBondContact O-N 3.41Å |
| 971 | I | 91.7 | Very high | 89.5 | Confident | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -67.5 | -55.3 | 175.9 | -64.6 | 166.1 | 0 | 0 | 0 | 110.3 | L967 Y968 S976 I995 | L967-I971 HydrophobicContact CD1-CD1 3.99Å; L967-I971 HydrophobicContact CD1-CG1 4.43Å; L967-I971 HydrophobicContact CG-CD1 3.87Å; L967-I971 WeakPolarHBondContact O-CG1 3.34Å; L967-I971 PolarHBondContact O-N 3.17Å; Y968-I971 PolarHBondContact O-N 3.24Å; I971-S976 VanDerWaalsContact O-CB 3.28Å; I971-S976 WeakPolarHBondContact O-CB 3.48Å; I971-S976 PolarHBondContact O-N 2.8Å; I971-I995 HydrophobicContact CD1-CG1 4.25Å; I971-I995 HydrophobicContact CD1-CG2 3.9Å |
| 972 | H | 89.5 | Confident | 89.4 | Confident | 56 Ų | 56 | 34.9 Ų | 34.9 | 26% | 0.259 | 18% | 0.184 | S | C | . | . | I | π-helix | trans | -90.8 | -21.7 | -164.9 | -65.2 | -75.4 | 0 | 0 | 0 | 115.1 | Y968 S976 S996 | Y968-H972 AromaticContact CD2-CD2 3.46Å; Y968-H972 VanDerWaalsContact CD2-CD2 3.46Å; Y968-H972 WeakPolarHBondContact CD2-CD2 3.11Å; Y968-H972 AromaticContact CD2-NE2 3.97Å; Y968-H972 HydrophobicContact CE1-CB 4.23Å; Y968-H972 AromaticContact CE2-CD2 3.5Å; Y968-H972 VanDerWaalsContact CE2-CD2 3.5Å; Y968-H972 WeakPolarHBondContact CE2-CD2 3.46Å; Y968-H972 AromaticContact CE2-NE2 3.93Å; Y968-H972 AromaticContact CG-CD2 3.85Å; Y968-H972 AromaticContact CZ-CD2 3.91Å; Y968-H972 WeakPolarHBondContact O-CB 3.43Å; Y968-H972 PolarHBondContact O-CD2 3.47Å; Y968-H972 PolarHBondContact O-N 3.47Å; H972-S976 WeakPolarHBondContact O-CB 3.48Å; H972-S996 PolarHBondContact CE1-OG 3.37Å; H972-S996 VanDerWaalsContact CE1-OG 3.26Å; H972-S996 PolarHBondContact NE2-OG 3.15Å |
| 973 | L | 85.6 | Confident | 89.3 | Confident | 99 Ų | 99 | 36.3 Ų | 36.3 | 52% | 0.518 | 21% | 0.208 | S | C | . | . | I | π-helix | trans | -112.6 | -3 | -179.6 | -49.9 | 175.2 | 0 | 0 | 0 | 113.6 | N969 | N969-L973 HydrophobicContact CB-CD1 4.18Å; N969-L973 WeakPolarHBondContact O-CA 2.99Å; N969-L973 VanDerWaalsContact O-CB 3.25Å; N969-L973 WeakPolarHBondContact O-CB 3.37Å; N969-L973 PolarHBondContact O-N 3.29Å |
| 974 | C | 87.7 | Confident | 89.2 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 10% | 0.101 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -130.6 | -60 | -177.7 | -42.8 | 0 | 0 | 0 | 0 | 111.4 | H899 W970 W978 | H899-C974 PolarHBondContact NE2-SG 2.72Å; W970-C974 VanDerWaalsContact O-CB 3.31Å; W970-C974 WeakPolarHBondContact O-CB 3.24Å; C974-W978 WeakPolarHBondContact O-CB 3.48Å; C974-W978 PolarHBondContact O-N 3.41Å |
| 975 | L | 91 | Very high | 89.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -73.9 | -39.7 | -178.4 | -175.2 | 62.5 | 0 | 0 | 0 | 112.4 | L903 L906 L934 W970 D977 W978 A979 T988 L992 | L903-L975 HydrophobicContact CD2-CB 4.45Å; L903-L975 HydrophobicContact CD2-CD1 3.48Å; L903-L975 VanDerWaalsContact CD2-CD1 3.48Å; L906-L975 HydrophobicContact CD1-CD1 4.07Å; L934-L975 HydrophobicContact CD2-CD2 3.89Å; W970-L975 HydrophobicContact CH2-CD2 3.79Å; W970-L975 HydrophobicContact CZ2-CD2 4.47Å; W970-L975 HydrophobicContact CZ3-CD2 3.88Å; W970-L975 PolarHBondContact O-N 3.41Å; L975-D977 VanDerWaalsContact C-N 3.32Å; L975-D977 PolarHBondContact O-N 2.8Å; L975-W978 HydrophobicContact CD1-CE3 3.85Å; L975-W978 HydrophobicContact CD1-CZ3 4.33Å; L975-A979 WeakPolarHBondContact O-CB 3.19Å; L975-A979 PolarHBondContact O-N 3.5Å; L975-T988 HydrophobicContact CD2-CG2 4.31Å; L975-T988 HydrophobicContact CG-CG2 4.04Å; L975-L992 HydrophobicContact CD2-CD1 3.48Å; L975-L992 VanDerWaalsContact CD2-CD1 3.48Å |
| 976 | S | 88.6 | Confident | 89.1 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.2 | -42.6 | 171.9 | 157.5 | 0 | 0 | 0 | 0 | 112.3 | I971 H972 A979 S980 R985 | I971-S976 VanDerWaalsContact O-CB 3.28Å; I971-S976 WeakPolarHBondContact O-CB 3.48Å; I971-S976 PolarHBondContact O-N 2.8Å; H972-S976 WeakPolarHBondContact O-CB 3.48Å; S976-A979 PolarHBondContact O-N 3.01Å; S976-S980 VanDerWaalsContact O-CB 3.31Å; S976-S980 WeakPolarHBondContact O-CB 3.39Å; S976-S980 PolarHBondContact O-N 3.05Å; S976-S980 PolarHBondContact O-OG 2.71Å; S976-R985 PolarHBondContact OG-NH1 2.85Å |
| 977 | D | 86.1 | Confident | 89.1 | Confident | 88 Ų | 88 | 42.4 Ų | 42.4 | 47% | 0.471 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -79.4 | -40.4 | -174.3 | -72.1 | 2.2 | 0 | 0 | 0 | 111.3 | L975 A979 S980 A981 | L975-D977 VanDerWaalsContact C-N 3.32Å; L975-D977 PolarHBondContact O-N 2.8Å; D977-A979 VanDerWaalsContact C-N 3.35Å; D977-A979 PolarHBondContact O-N 3.05Å; D977-S980 WeakPolarHBondContact O-CB 3.09Å; D977-S980 PolarHBondContact O-N 3.26Å; D977-A981 PolarHBondContact O-N 3.26Å |
| 978 | W | 90.9 | Very high | 89 | Confident | 30 Ų | 30 | 42.7 Ų | 42.7 | 11% | 0.114 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.5 | -49.8 | 165.8 | 173.9 | 82.5 | 0 | 0 | 0 | 111.5 | L903 L906 S907 L910 F927 C974 L975 S980 A981 H982 L984 | L903-W978 HydrophobicContact CD1-CB 4.5Å; L903-W978 HydrophobicContact CD2-CB 4.16Å; L903-W978 HydrophobicContact CD2-CD2 4.17Å; L903-W978 HydrophobicContact CD2-CE3 4.43Å; L903-W978 HydrophobicContact CD2-CG 4.02Å; L906-W978 HydrophobicContact CB-CH2 3.72Å; L906-W978 HydrophobicContact CB-CZ2 3.78Å; L906-W978 HydrophobicContact CB-CZ3 4.38Å; L906-W978 HydrophobicContact CD1-CH2 4.46Å; L906-W978 HydrophobicContact CD1-CZ3 4.33Å; S907-W978 PolarHBondContact OG-NE1 3.14Å; L910-W978 HydrophobicContact CD2-CZ2 4.33Å; F927-W978 AromaticContact CE1-CH2 3.78Å; F927-W978 HydrophobicContact CE1-CH2 3.78Å; F927-W978 HydrophobicContact CE1-CZ3 4.48Å; F927-W978 HydrophobicContact CZ-CH2 4.3Å; C974-W978 WeakPolarHBondContact O-CB 3.48Å; C974-W978 PolarHBondContact O-N 3.41Å; L975-W978 HydrophobicContact CD1-CE3 3.85Å; L975-W978 HydrophobicContact CD1-CZ3 4.33Å; W978-S980 VanDerWaalsContact C-N 3.29Å; W978-S980 PolarHBondContact O-N 3.22Å; W978-A981 PolarHBondContact O-N 3.31Å; W978-H982 AromaticContact CD1-CD2 3.94Å; W978-H982 AromaticContact CD1-NE2 3.98Å; W978-H982 AromaticContact CE2-CD2 3.51Å; W978-H982 AromaticContact CE2-NE2 3.89Å; W978-H982 AromaticContact CZ2-CD2 3.79Å; W978-H982 AromaticContact NE1-CD2 3.47Å; W978-H982 PolarHBondContact NE1-CD2 2.85Å; W978-H982 AromaticContact NE1-NE2 3.41Å; W978-H982 PolarHBondContact NE1-NE2 3.04Å; W978-H982 PolarHBondContact O-CD2 3.4Å; W978-H982 VanDerWaalsContact O-CD2 3.24Å; W978-H982 PolarHBondContact O-N 3.04Å; W978-L984 HydrophobicContact CH2-CD1 4.11Å; W978-L984 HydrophobicContact CZ3-CD1 4.37Å |
| 979 | A | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.8 | -30.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L975 S976 D977 H982 G983 L984 R985 T988 | L975-A979 WeakPolarHBondContact O-CB 3.19Å; L975-A979 PolarHBondContact O-N 3.5Å; S976-A979 PolarHBondContact O-N 3.01Å; D977-A979 VanDerWaalsContact C-N 3.35Å; D977-A979 PolarHBondContact O-N 3.05Å; A979-H982 CarbonylContact O-C 3.5Å; A979-H982 PolarHBondContact O-N 3.33Å; A979-G983 CarbonylContact O-C 3.55Å; A979-G983 PolarHBondContact O-N 3.36Å; A979-L984 HydrophobicContact CB-CB 4.15Å; A979-L984 PolarHBondContact O-N 3.28Å; A979-R985 PolarHBondContact O-N 3.22Å; A979-T988 HydrophobicContact CB-CG2 4.33Å; A979-T988 WeakPolarHBondContact CB-OG1 3.35Å |
| 980 | S | 88.6 | Confident | 89 | Confident | 47 Ų | 47 | 43.7 Ų | 43.7 | 33% | 0.329 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.8 | -39 | 174.4 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | S976 D977 W978 H982 G983 R985 | S976-S980 VanDerWaalsContact O-CB 3.31Å; S976-S980 WeakPolarHBondContact O-CB 3.39Å; S976-S980 PolarHBondContact O-N 3.05Å; S976-S980 PolarHBondContact O-OG 2.71Å; D977-S980 WeakPolarHBondContact O-CB 3.09Å; D977-S980 PolarHBondContact O-N 3.26Å; W978-S980 VanDerWaalsContact C-N 3.29Å; W978-S980 PolarHBondContact O-N 3.22Å; S980-H982 PolarHBondContact O-N 3.16Å; S980-G983 PolarHBondContact O-N 3.32Å; S980-R985 WeakPolarHBondContact OG-CD 3.35Å; S980-R985 PolarHBondContact OG-NH1 3.5Å |
| 981 | A | 86.2 | Confident | 89.1 | Confident | 77 Ų | 77 | 45.7 Ų | 45.7 | 64% | 0.636 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -65.5 | -23.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D977 W978 | D977-A981 PolarHBondContact O-N 3.26Å; W978-A981 PolarHBondContact O-N 3.31Å |
| 982 | H | 85.2 | Confident | 89.2 | Confident | 34 Ų | 34 | 45.5 Ų | 45.5 | 16% | 0.157 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 4.9 | -179.8 | -67.3 | -65 | 0 | 0 | 0 | 114.5 | L910 W978 A979 S980 L984 | L910-H982 HydrophobicContact CD2-CB 3.67Å; L910-H982 VanDerWaalsContact CD2-ND1 3.32Å; L910-H982 WeakPolarHBondContact CD2-ND1 3.44Å; W978-H982 AromaticContact CD1-CD2 3.94Å; W978-H982 AromaticContact CD1-NE2 3.98Å; W978-H982 AromaticContact CE2-CD2 3.51Å; W978-H982 AromaticContact CE2-NE2 3.89Å; W978-H982 AromaticContact CZ2-CD2 3.79Å; W978-H982 AromaticContact NE1-CD2 3.47Å; W978-H982 PolarHBondContact NE1-CD2 2.85Å; W978-H982 AromaticContact NE1-NE2 3.41Å; W978-H982 PolarHBondContact NE1-NE2 3.04Å; W978-H982 PolarHBondContact O-CD2 3.4Å; W978-H982 VanDerWaalsContact O-CD2 3.24Å; W978-H982 PolarHBondContact O-N 3.04Å; A979-H982 CarbonylContact O-C 3.5Å; A979-H982 PolarHBondContact O-N 3.33Å; S980-H982 PolarHBondContact O-N 3.16Å; H982-L984 HydrophobicContact CB-CD1 4.39Å; H982-L984 HydrophobicContact CB-CG 4.48Å; H982-L984 PolarHBondContact O-N 3.07Å |
| 983 | G | 86.3 | Confident | 89.4 | Confident | 66 Ų | 66 | 44.4 Ų | 44.4 | 68% | 0.68 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | -0.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | A979 S980 R985 | A979-G983 CarbonylContact O-C 3.55Å; A979-G983 PolarHBondContact O-N 3.36Å; S980-G983 PolarHBondContact O-N 3.32Å; G983-R985 VanDerWaalsContact C-N 3.29Å; G983-R985 PolarHBondContact O-N 3.33Å |
| 984 | L | 89.1 | Confident | 89.8 | Confident | 11 Ų | 11 | 41.6 Ų | 41.6 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | trans | -82.4 | 1.4 | -178.6 | -66.3 | 173 | 0 | 0 | 0 | 113.9 | L910 F927 W978 A979 H982 L986 A987 T988 | L910-L984 HydrophobicContact CD1-CD1 4.49Å; L910-L984 HydrophobicContact CD2-CD1 4.34Å; F927-L984 HydrophobicContact CB-CD1 4.5Å; F927-L984 HydrophobicContact CB-CD2 4.28Å; F927-L984 HydrophobicContact CD1-CD1 3.83Å; F927-L984 HydrophobicContact CD2-CD1 4.07Å; F927-L984 HydrophobicContact CE1-CD1 4.04Å; F927-L984 HydrophobicContact CE2-CD1 4.28Å; F927-L984 HydrophobicContact CG-CD1 3.84Å; F927-L984 HydrophobicContact CG-CD2 4.4Å; F927-L984 HydrophobicContact CZ-CD1 4.27Å; W978-L984 HydrophobicContact CH2-CD1 4.11Å; W978-L984 HydrophobicContact CZ3-CD1 4.37Å; A979-L984 HydrophobicContact CB-CB 4.15Å; A979-L984 PolarHBondContact O-N 3.28Å; H982-L984 HydrophobicContact CB-CD1 4.39Å; H982-L984 HydrophobicContact CB-CG 4.48Å; H982-L984 PolarHBondContact O-N 3.07Å; L984-L986 VanDerWaalsContact C-N 3.33Å; L984-L986 PolarHBondContact O-N 3.03Å; L984-A987 WeakPolarHBondContact O-CB 3.32Å; L984-A987 PolarHBondContact O-N 2.84Å; L984-T988 PolarHBondContact O-N 2.99Å; L984-T988 PolarHBondContact O-OG1 2.81Å | ||
| 985 | R | 90.9 | Very high | 90.1 | Very high | 99 Ų | 99 | 41 Ų | 41 | 37% | 0.374 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -48.1 | -48.1 | -176.4 | -171.6 | -169.8 | 177 | 92 | 15.3 | 113.8 | S976 A979 S980 G983 A987 T988 E989 | S976-R985 PolarHBondContact OG-NH1 2.85Å; A979-R985 PolarHBondContact O-N 3.22Å; S980-R985 WeakPolarHBondContact OG-CD 3.35Å; S980-R985 PolarHBondContact OG-NH1 3.5Å; G983-R985 VanDerWaalsContact C-N 3.29Å; G983-R985 PolarHBondContact O-N 3.33Å; R985-A987 VanDerWaalsContact C-N 3.33Å; R985-A987 PolarHBondContact O-N 3Å; R985-T988 WeakPolarHBondContact O-CB 3.49Å; R985-T988 PolarHBondContact O-N 2.86Å; R985-T988 VanDerWaalsContact O-N 3.17Å; R985-E989 HydrophobicContact CG-CG 4.42Å; R985-E989 IonicContact CZ-OE1 2.74Å; R985-E989 IonicContact NE-OE1 3.8Å; R985-E989 PolarHBondContact NE-OE1 2.77Å; R985-E989 IonicContact NE-OE2 3.2Å; R985-E989 IonicContact NH2-OE1 2.75Å; R985-E989 PolarHBondContact NH2-OE1 3.26Å; R985-E989 WeakPolarHBondContact O-CG 3.23Å; R985-E989 PolarHBondContact O-N 3.12Å |
| 986 | L | 87.9 | Confident | 90.3 | Very high | 125 Ų | 125 | 41.5 Ų | 41.5 | 65% | 0.654 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -66.3 | -34 | -178.6 | -67.5 | 173.1 | 0 | 0 | 0 | 112.4 | L984 C990 | L984-L986 VanDerWaalsContact C-N 3.33Å; L984-L986 PolarHBondContact O-N 3.03Å; L986-C990 VanDerWaalsContact O-CB 3.25Å; L986-C990 WeakPolarHBondContact O-CB 3.47Å; L986-C990 PolarHBondContact O-N 3.26Å |
| 987 | A | 89.4 | Confident | 90.5 | Very high | 15 Ų | 15 | 41.2 Ų | 41.2 | 12% | 0.124 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.8 | -41.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L931 L984 R985 C990 Y991 | L931-A987 HydrophobicContact CD1-CB 3.9Å; L984-A987 WeakPolarHBondContact O-CB 3.32Å; L984-A987 PolarHBondContact O-N 2.84Å; R985-A987 VanDerWaalsContact C-N 3.33Å; R985-A987 PolarHBondContact O-N 3Å; A987-C990 PolarHBondContact O-N 2.57Å; A987-Y991 HydrophobicContact CB-CD2 4.14Å; A987-Y991 HydrophobicContact CB-CE2 4.34Å; A987-Y991 WeakPolarHBondContact O-CB 3.35Å; A987-Y991 VanDerWaalsContact O-CD2 3.24Å; A987-Y991 WeakPolarHBondContact O-CD2 3.3Å; A987-Y991 PolarHBondContact O-N 3.17Å |
| 988 | T | 91 | Very high | 90.9 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.4 | -48.8 | 174.7 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | L975 A979 L984 R985 C990 L992 | L975-T988 HydrophobicContact CD2-CG2 4.31Å; L975-T988 HydrophobicContact CG-CG2 4.04Å; A979-T988 HydrophobicContact CB-CG2 4.33Å; A979-T988 WeakPolarHBondContact CB-OG1 3.35Å; L984-T988 PolarHBondContact O-N 2.99Å; L984-T988 PolarHBondContact O-OG1 2.81Å; R985-T988 WeakPolarHBondContact O-CB 3.49Å; R985-T988 PolarHBondContact O-N 2.86Å; R985-T988 VanDerWaalsContact O-N 3.17Å; T988-C990 VanDerWaalsContact C-N 3.29Å; T988-C990 PolarHBondContact O-N 2.85Å; T988-L992 HydrophobicContact CG2-CD1 3.64Å; T988-L992 WeakPolarHBondContact O-CB 3.31Å; T988-L992 PolarHBondContact O-N 2.94Å |
| 989 | E | 90.8 | Very high | 91.1 | Very high | 80 Ų | 80 | 35.7 Ų | 35.7 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65 | -29.3 | 178 | -71.6 | 173.1 | 165.2 | 0 | 0 | 112.8 | R985 | R985-E989 HydrophobicContact CG-CG 4.42Å; R985-E989 IonicContact CZ-OE1 2.74Å; R985-E989 IonicContact NE-OE1 3.8Å; R985-E989 PolarHBondContact NE-OE1 2.77Å; R985-E989 IonicContact NE-OE2 3.2Å; R985-E989 IonicContact NH2-OE1 2.75Å; R985-E989 PolarHBondContact NH2-OE1 3.26Å; R985-E989 WeakPolarHBondContact O-CG 3.23Å; R985-E989 PolarHBondContact O-N 3.12Å |
| 990 | C | 90.4 | Very high | 91.2 | Very high | 53 Ų | 53 | 37.5 Ų | 37.5 | 36% | 0.358 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -81.9 | -56.1 | 177.5 | -164.8 | 0 | 0 | 0 | 0 | 112.8 | L986 A987 T988 L992 Q993 | L986-C990 VanDerWaalsContact O-CB 3.25Å; L986-C990 WeakPolarHBondContact O-CB 3.47Å; L986-C990 PolarHBondContact O-N 3.26Å; A987-C990 PolarHBondContact O-N 2.57Å; T988-C990 VanDerWaalsContact C-N 3.29Å; T988-C990 PolarHBondContact O-N 2.85Å; C990-L992 PolarHBondContact O-N 3.49Å; C990-Q993 WeakPolarHBondContact O-CB 3.33Å; C990-Q993 PolarHBondContact O-N 3.43Å |
| 991 | Y | 93.2 | Very high | 91.4 | Very high | 48 Ų | 48 | 35.2 Ų | 35.2 | 19% | 0.188 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -79.6 | -16.7 | -170.6 | -67.3 | -67.4 | 0 | 0 | 0 | 114.3 | A928 L931 H932 N935 A987 L1129 | A928-Y991 HydrophobicContact CB-CD2 4.05Å; A928-Y991 HydrophobicContact CB-CE1 4.04Å; A928-Y991 HydrophobicContact CB-CE2 3.39Å; L931-Y991 HydrophobicContact CB-CG 4.44Å; H932-Y991 HydrophobicContact CB-CD1 4.37Å; N935-Y991 WeakPolarHBondContact CB-O 3.32Å; N935-Y991 PolarHBondContact ND2-O 3.42Å; N935-Y991 VanDerWaalsContact ND2-O 3.11Å; A987-Y991 HydrophobicContact CB-CD2 4.14Å; A987-Y991 HydrophobicContact CB-CE2 4.34Å; A987-Y991 WeakPolarHBondContact O-CB 3.35Å; A987-Y991 VanDerWaalsContact O-CD2 3.24Å; A987-Y991 WeakPolarHBondContact O-CD2 3.3Å; A987-Y991 PolarHBondContact O-N 3.17Å; Y991-L1129 HydrophobicContact CD1-CD2 4.38Å; Y991-L1129 HydrophobicContact CE1-CD1 4.44Å; Y991-L1129 HydrophobicContact CE1-CD2 3.96Å |
| 992 | L | 94.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | 15.6 | 170.7 | -64.7 | 151 | 0 | 0 | 0 | 112.5 | L931 L934 N935 L975 T988 C990 R994 I995 S996 | L931-L992 HydrophobicContact CD2-CD1 3.87Å; L934-L992 HydrophobicContact CB-CD2 4.44Å; L934-L992 HydrophobicContact CD2-CD1 4.48Å; L934-L992 HydrophobicContact CD2-CD2 3.98Å; L934-L992 HydrophobicContact CG-CD2 4.03Å; N935-L992 HydrophobicContact CB-CD2 3.83Å; N935-L992 HydrophobicContact CB-CG 4.43Å; L975-L992 HydrophobicContact CD2-CD1 3.48Å; L975-L992 VanDerWaalsContact CD2-CD1 3.48Å; T988-L992 HydrophobicContact CG2-CD1 3.64Å; T988-L992 WeakPolarHBondContact O-CB 3.31Å; T988-L992 PolarHBondContact O-N 2.94Å; C990-L992 PolarHBondContact O-N 3.49Å; L992-R994 PolarHBondContact O-N 3.29Å; L992-I995 HydrophobicContact CB-CG2 3.81Å; L992-I995 HydrophobicContact CD2-CG2 3.62Å; L992-I995 HydrophobicContact CG-CG2 4.35Å; L992-I995 WeakPolarHBondContact O-CG2 3.42Å; L992-I995 PolarHBondContact O-N 2.99Å; L992-S996 WeakPolarHBondContact O-CB 3.32Å; L992-S996 PolarHBondContact O-N 3.38Å |
| 993 | Q | 92.9 | Very high | 92 | Very high | 33 Ų | 33 | 33.4 Ų | 33.4 | 15% | 0.154 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.5 | -35.8 | -177.1 | -176.7 | 73.6 | 96.6 | 0 | 0 | 112.6 | C990 Q997 S1021 | C990-Q993 WeakPolarHBondContact O-CB 3.33Å; C990-Q993 PolarHBondContact O-N 3.43Å; Q993-Q997 VanDerWaalsContact NE2-NE2 3.17Å; Q993-Q997 WeakPolarHBondContact O-CB 3.26Å; Q993-Q997 VanDerWaalsContact O-CG 3.28Å; Q993-Q997 WeakPolarHBondContact O-CG 3.47Å; Q993-Q997 PolarHBondContact O-N 3.32Å; Q993-S1021 PolarHBondContact O-OG 2.76Å |
| 994 | R | 93 | Very high | 92 | Very high | 40 Ų | 40 | 30.8 Ų | 30.8 | 15% | 0.151 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72.9 | -51 | -178 | -159.8 | -171.7 | -56.6 | -82.1 | -12.4 | 112.2 | F939 L992 S996 Q997 A998 S1021 L1022 E1125 | F939-R994 HydrophobicContact CD2-CG 3.84Å; F939-R994 HydrophobicContact CE1-CG 4.31Å; F939-R994 HydrophobicContact CE2-CG 3.56Å; F939-R994 HydrophobicContact CG-CG 4.33Å; F939-R994 HydrophobicContact CZ-CG 3.8Å; L992-R994 PolarHBondContact O-N 3.29Å; R994-S996 VanDerWaalsContact C-N 3.29Å; R994-S996 PolarHBondContact O-N 2.88Å; R994-Q997 PolarHBondContact O-N 3.17Å; R994-A998 WeakPolarHBondContact O-CB 3.35Å; R994-A998 PolarHBondContact O-N 2.96Å; R994-S1021 WeakPolarHBondContact CA-OG 3.43Å; R994-S1021 PolarHBondContact NH1-O 3.48Å; R994-L1022 HydrophobicContact CG-CD2 3.64Å; R994-E1125 WeakPolarHBondContact CD-OE2 3.35Å; R994-E1125 IonicContact CZ-OE1 2.92Å; R994-E1125 VanDerWaalsContact CZ-OE1 3.3Å; R994-E1125 IonicContact NE-OE1 3.69Å; R994-E1125 PolarHBondContact NE-OE1 3.27Å; R994-E1125 IonicContact NE-OE2 2.65Å; R994-E1125 PolarHBondContact NE-OE2 2.88Å; R994-E1125 VanDerWaalsContact NE-OE2 3.08Å; R994-E1125 IonicContact NH2-OE1 3.07Å; R994-E1125 PolarHBondContact NH2-OE1 3.09Å |
| 995 | I | 94.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.4 | -33.2 | 177.1 | -167.2 | 62 | 0 | 0 | 0 | 112.4 | N935 L938 F939 I942 L967 I971 L992 A999 | N935-I995 HydrophobicContact CB-CG2 4.47Å; N935-I995 VanDerWaalsContact OD1-CB 3.24Å; N935-I995 WeakPolarHBondContact OD1-CB 3.34Å; N935-I995 WeakPolarHBondContact OD1-CG2 3.16Å; N935-I995 PolarHBondContact OD1-N 2.91Å; L938-I995 HydrophobicContact CB-CD1 3.91Å; L938-I995 HydrophobicContact CB-CG1 3.97Å; F939-I995 HydrophobicContact CB-CD1 4.2Å; I942-I995 HydrophobicContact CD1-CD1 3.8Å; L967-I995 HydrophobicContact CD1-CD1 4.44Å; L967-I995 HydrophobicContact CD1-CG1 4.04Å; L967-I995 HydrophobicContact CD2-CD1 3.76Å; L967-I995 HydrophobicContact CD2-CG1 3.93Å; L967-I995 HydrophobicContact CG-CG1 4.35Å; I971-I995 HydrophobicContact CD1-CG1 4.25Å; I971-I995 HydrophobicContact CD1-CG2 3.9Å; L992-I995 HydrophobicContact CB-CG2 3.81Å; L992-I995 HydrophobicContact CD2-CG2 3.62Å; L992-I995 HydrophobicContact CG-CG2 4.35Å; L992-I995 WeakPolarHBondContact O-CG2 3.42Å; L992-I995 PolarHBondContact O-N 2.99Å; I995-A999 PolarHBondContact O-N 3.21Å |
| 996 | S | 94.6 | Very high | 91.3 | Very high | 12 Ų | 12 | 30.8 Ų | 30.8 | 8% | 0.084 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.7 | -49.2 | 171.8 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | H972 L992 R994 A998 A999 D1000 | H972-S996 PolarHBondContact CE1-OG 3.37Å; H972-S996 VanDerWaalsContact CE1-OG 3.26Å; H972-S996 PolarHBondContact NE2-OG 3.15Å; L992-S996 WeakPolarHBondContact O-CB 3.32Å; L992-S996 PolarHBondContact O-N 3.38Å; R994-S996 VanDerWaalsContact C-N 3.29Å; R994-S996 PolarHBondContact O-N 2.88Å; S996-A998 VanDerWaalsContact C-N 3.31Å; S996-A998 PolarHBondContact O-N 2.92Å; S996-A999 WeakPolarHBondContact O-CB 3.45Å; S996-A999 PolarHBondContact O-N 2.83Å; S996-A999 VanDerWaalsContact O-N 3.1Å; S996-D1000 PolarHBondContact O-N 3.06Å |
| 997 | Q | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.1 | -30 | 177.5 | -73.1 | -177.1 | 14.7 | 0 | 0 | 113 | Q993 R994 D1000 L1001 L1019 S1021 L1022 | Q993-Q997 VanDerWaalsContact NE2-NE2 3.17Å; Q993-Q997 WeakPolarHBondContact O-CB 3.26Å; Q993-Q997 VanDerWaalsContact O-CG 3.28Å; Q993-Q997 WeakPolarHBondContact O-CG 3.47Å; Q993-Q997 PolarHBondContact O-N 3.32Å; R994-Q997 PolarHBondContact O-N 3.17Å; Q997-D1000 PolarHBondContact O-N 3.02Å; Q997-L1001 WeakPolarHBondContact O-CB 3.45Å; Q997-L1001 PolarHBondContact O-N 2.95Å; Q997-L1019 HydrophobicContact CB-CB 4.37Å; Q997-L1019 HydrophobicContact CB-CD2 3.98Å; Q997-L1019 HydrophobicContact CG-CD2 3.89Å; Q997-L1019 PolarHBondContact OE1-O 3.14Å; Q997-S1021 VanDerWaalsContact CD-OG 3.27Å; Q997-S1021 PolarHBondContact OE1-OG 3.2Å; Q997-L1022 HydrophobicContact CB-CD1 4.15Å; Q997-L1022 HydrophobicContact CB-CG 4.11Å |
| 998 | A | 94.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 2% | 0.017 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.3 | -41 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F939 R994 S996 L1001 M1002 L1022 I1030 | F939-A998 HydrophobicContact CD2-CB 4.25Å; F939-A998 HydrophobicContact CE2-CB 4.14Å; R994-A998 WeakPolarHBondContact O-CB 3.35Å; R994-A998 PolarHBondContact O-N 2.96Å; S996-A998 VanDerWaalsContact C-N 3.31Å; S996-A998 PolarHBondContact O-N 2.92Å; A998-L1001 PolarHBondContact O-N 2.8Å; A998-M1002 WeakPolarHBondContact O-CB 3.21Å; A998-M1002 VanDerWaalsContact O-CG 3.24Å; A998-M1002 WeakPolarHBondContact O-CG 3.43Å; A998-M1002 PolarHBondContact O-N 2.64Å; A998-L1022 HydrophobicContact CB-CD2 4.46Å; A998-I1030 HydrophobicContact CB-CD1 4.14Å |
| 999 | A | 94 | Very high | 90.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.1 | -43.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | L967 I995 S996 L1001 M1002 L1003 | L967-A999 HydrophobicContact CD2-CB 3.95Å; L967-A999 HydrophobicContact CG-CB 4.21Å; I995-A999 PolarHBondContact O-N 3.21Å; S996-A999 WeakPolarHBondContact O-CB 3.45Å; S996-A999 PolarHBondContact O-N 2.83Å; S996-A999 VanDerWaalsContact O-N 3.1Å; A999-L1001 VanDerWaalsContact C-N 3.34Å; A999-L1001 PolarHBondContact O-N 2.89Å; A999-M1002 PolarHBondContact O-N 3.2Å; A999-L1003 WeakPolarHBondContact O-CG 3.21Å; A999-L1003 PolarHBondContact O-N 2.96Å |
| 1000 | D | 93.3 | Very high | 90.6 | Very high | 37 Ų | 37 | 37.4 Ų | 37.4 | 20% | 0.198 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.2 | -45.8 | 173.8 | -72.4 | -18.4 | 0 | 0 | 0 | 111.2 | Y968 S996 Q997 L1003 C1004 L1019 R1972 | Y968-D1000 WeakPolarHBondContact CE2-OD1 3.4Å; S996-D1000 PolarHBondContact O-N 3.06Å; Q997-D1000 PolarHBondContact O-N 3.02Å; D1000-L1003 CarbonylContact O-C 3.54Å; D1000-L1003 PolarHBondContact O-N 2.92Å; D1000-C1004 PolarHBondContact O-N 2.91Å; D1000-L1019 HydrophobicContact CB-CD2 4.36Å; D1000-R1972 IonicContact OD2-NH2 2.78Å |
| 1001 | L | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 177.7 | -175.6 | 51.5 | 0 | 0 | 0 | 112.2 | Q997 A998 A999 L1003 C1004 L1012 T1016 L1019 L1022 V1027 I1030 L1031 | Q997-L1001 WeakPolarHBondContact O-CB 3.45Å; Q997-L1001 PolarHBondContact O-N 2.95Å; A998-L1001 PolarHBondContact O-N 2.8Å; A999-L1001 VanDerWaalsContact C-N 3.34Å; A999-L1001 PolarHBondContact O-N 2.89Å; L1001-L1003 PolarHBondContact O-N 2.81Å; L1001-C1004 WeakPolarHBondContact O-CB 3.17Å; L1001-C1004 PolarHBondContact O-N 2.77Å; L1001-C1004 VanDerWaalsContact O-N 3.17Å; L1001-L1012 HydrophobicContact CD1-CD1 3.93Å; L1001-T1016 HydrophobicContact CD1-CG2 3.42Å; L1001-T1016 VanDerWaalsContact CD1-CG2 3.42Å; L1001-T1016 HydrophobicContact CD2-CG2 4.49Å; L1001-L1019 HydrophobicContact CB-CD1 3.75Å; L1001-L1019 HydrophobicContact CD1-CD1 4.24Å; L1001-L1019 HydrophobicContact CD2-CD1 4.34Å; L1001-L1019 HydrophobicContact CG-CD1 4.33Å; L1001-L1022 HydrophobicContact CD2-CD1 4.1Å; L1001-V1027 HydrophobicContact CD2-CG1 4.16Å; L1001-V1027 HydrophobicContact CD2-CG2 4.34Å; L1001-I1030 HydrophobicContact CD2-CB 4.08Å; L1001-I1030 HydrophobicContact CD2-CD1 4.31Å; L1001-I1030 HydrophobicContact CD2-CG2 3.69Å; L1001-I1030 HydrophobicContact CG-CG2 3.93Å; L1001-L1031 HydrophobicContact CD1-CD2 4.14Å |
| 1002 | M | 92 | Very high | 90.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.7 | -17.3 | 177.2 | -70.5 | 165 | 57.5 | 0 | 0 | 113.2 | I942 H958 I959 S960 W963 A998 A999 I1030 Y1034 | I942-M1002 HydrophobicContact CG2-CE 4.39Å; I942-M1002 HydrophobicContact CG2-SD 4.08Å; H958-M1002 VanDerWaalsContact O-CE 3.3Å; H958-M1002 WeakPolarHBondContact O-CE 3.4Å; I959-M1002 HydrophobicContact CG2-CG 4.3Å; I959-M1002 HydrophobicContact CG2-SD 4.48Å; S960-M1002 WeakPolarHBondContact O-CE 3.49Å; W963-M1002 HydrophobicContact CB-CE 3.76Å; A998-M1002 WeakPolarHBondContact O-CB 3.21Å; A998-M1002 VanDerWaalsContact O-CG 3.24Å; A998-M1002 WeakPolarHBondContact O-CG 3.43Å; A998-M1002 PolarHBondContact O-N 2.64Å; A999-M1002 PolarHBondContact O-N 3.2Å; M1002-I1030 HydrophobicContact CG-CG2 4.13Å; M1002-Y1034 WeakPolarHBondContact O-CE2 3.16Å; M1002-Y1034 PolarHBondContact O-OH 2.88Å |
| 1003 | L | 90.9 | Very high | 90.1 | Very high | 72 Ų | 72 | 38 Ų | 38 | 38% | 0.377 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 2.1 | 174.4 | -69.6 | 172.7 | 0 | 0 | 0 | 113.9 | K965 Y968 A999 D1000 L1001 | K965-L1003 HydrophobicContact CB-CD2 4.03Å; Y968-L1003 HydrophobicContact CD1-CD1 4.47Å; Y968-L1003 HydrophobicContact CD2-CD1 4.01Å; Y968-L1003 HydrophobicContact CG-CD1 3.79Å; A999-L1003 WeakPolarHBondContact O-CG 3.21Å; A999-L1003 PolarHBondContact O-N 2.96Å; D1000-L1003 CarbonylContact O-C 3.54Å; D1000-L1003 PolarHBondContact O-N 2.92Å; L1001-L1003 PolarHBondContact O-N 2.81Å |
| 1004 | C | 87.4 | Confident | 89.9 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 8% | 0.081 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -63 | 146.5 | -178.5 | -168.2 | 0 | 0 | 0 | 0 | 112.8 | D1000 L1001 M1006 L1012 L1015 | D1000-C1004 PolarHBondContact O-N 2.91Å; L1001-C1004 WeakPolarHBondContact O-CB 3.17Å; L1001-C1004 PolarHBondContact O-N 2.77Å; L1001-C1004 VanDerWaalsContact O-N 3.17Å; C1004-M1006 HydrophobicContact CB-CE 4Å; C1004-M1006 HydrophobicContact CB-SD 4.34Å; C1004-M1006 PolarHBondContact O-N 2.99Å; C1004-M1006 VanDerWaalsContact O-N 3.1Å; C1004-L1012 HydrophobicContact CB-CD1 4.25Å; C1004-L1015 HydrophobicContact CB-CD2 3.64Å; C1004-L1015 WeakPolarHBondContact SG-CD2 3.27Å |
| 1005 | D | 82.3 | Confident | 89.8 | Confident | 79 Ų | 79 | 41.3 Ų | 41.3 | 42% | 0.422 | 22% | 0.215 | S | C | . | . | trans | -77.6 | 96.2 | 171.2 | -166.6 | -3.9 | 0 | 0 | 0 | 111.2 | K1007 S1011 | D1005-K1007 PolarHBondContact O-N 3.38Å; D1005-K1007 WeakPolarHBondContact OD1-CB 3.43Å; D1005-K1007 WeakPolarHBondContact OD1-CG 3.46Å; D1005-K1007 PolarHBondContact OD1-N 2.84Å; D1005-K1007 VanDerWaalsContact OD1-N 3.12Å; D1005-K1007 IonicContact OD1-NZ 3.19Å; D1005-K1007 PolarHBondContact OD1-NZ 2.82Å; D1005-K1007 IonicContact OD2-NZ 3.51Å; D1005-K1007 PolarHBondContact OD2-NZ 2.84Å; D1005-S1011 PolarHBondContact O-OG 3.31Å; D1005-S1011 VanDerWaalsContact O-OG 3.07Å | ||
| 1006 | M | 83.3 | Confident | 89.5 | Confident | 30 Ų | 30 | 41.2 Ų | 41.2 | 15% | 0.148 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 3 | 178.8 | -55.7 | -57.2 | -179.9 | 0 | 0 | 114.4 | C1004 S1008 L1012 L1031 Y1034 I1069 | C1004-M1006 HydrophobicContact CB-CE 4Å; C1004-M1006 HydrophobicContact CB-SD 4.34Å; C1004-M1006 PolarHBondContact O-N 2.99Å; C1004-M1006 VanDerWaalsContact O-N 3.1Å; M1006-S1008 VanDerWaalsContact C-N 3.26Å; M1006-S1008 PolarHBondContact O-N 2.83Å; M1006-L1012 HydrophobicContact CE-CD1 4.24Å; M1006-L1012 HydrophobicContact SD-CD1 3.76Å; M1006-L1012 HydrophobicContact SD-CD2 4.07Å; M1006-L1012 HydrophobicContact SD-CG 4.46Å; M1006-L1031 HydrophobicContact CE-CD2 4.06Å; M1006-Y1034 HydrophobicContact CE-CD1 4.28Å; M1006-Y1034 HydrophobicContact CE-CD2 3.9Å; M1006-Y1034 HydrophobicContact CE-CE1 3.97Å; M1006-Y1034 HydrophobicContact CE-CE2 3.56Å; M1006-Y1034 HydrophobicContact CE-CG 4.22Å; M1006-Y1034 HydrophobicContact CG-CD1 4.34Å; M1006-Y1034 HydrophobicContact CG-CE1 3.63Å; M1006-I1069 HydrophobicContact CE-CD1 4.07Å; M1006-I1069 HydrophobicContact CG-CD1 4.32Å; M1006-I1069 HydrophobicContact SD-CD1 3.77Å |
| 1007 | K | 81.4 | Confident | 89.2 | Confident | 166 Ų | 166 | 42.1 Ų | 42.1 | 72% | 0.722 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -18.6 | 176.9 | -71.7 | -179.1 | -143.6 | 71.9 | 0 | 114.5 | D1005 | D1005-K1007 PolarHBondContact O-N 3.38Å; D1005-K1007 WeakPolarHBondContact OD1-CB 3.43Å; D1005-K1007 WeakPolarHBondContact OD1-CG 3.46Å; D1005-K1007 PolarHBondContact OD1-N 2.84Å; D1005-K1007 VanDerWaalsContact OD1-N 3.12Å; D1005-K1007 IonicContact OD1-NZ 3.19Å; D1005-K1007 PolarHBondContact OD1-NZ 2.82Å; D1005-K1007 IonicContact OD2-NZ 3.51Å; D1005-K1007 PolarHBondContact OD2-NZ 2.84Å |
| 1008 | S | 85.9 | Confident | 88.9 | Confident | 50 Ų | 50 | 47.1 Ų | 47.1 | 35% | 0.35 | 25% | 0.246 | S | C | . | . | trans | -141.2 | 132.9 | -179.8 | 178.5 | 0 | 0 | 0 | 0 | 112.1 | M1006 E1010 S1011 L1012 | M1006-S1008 VanDerWaalsContact C-N 3.26Å; M1006-S1008 PolarHBondContact O-N 2.83Å; S1008-E1010 PolarHBondContact O-N 2.78Å; S1008-E1010 PolarHBondContact OG-N 2.84Å; S1008-S1011 WeakPolarHBondContact CB-OG 3.38Å; S1008-S1011 PolarHBondContact O-N 3.08Å; S1008-S1011 PolarHBondContact O-OG 2.96Å; S1008-L1012 PolarHBondContact O-N 2.85Å; S1008-L1012 VanDerWaalsContact O-N 3.1Å | ||
| 1009 | V | 88.9 | Confident | 88.8 | Confident | 40 Ų | 40 | 47 Ų | 47 | 24% | 0.242 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.6 | -28.7 | 171.6 | 67.9 | 0 | 0 | 0 | 0 | 111.9 | Y1013 W1073 F1076 | V1009-Y1013 WeakPolarHBondContact O-CB 3.46Å; V1009-Y1013 PolarHBondContact O-N 2.72Å; V1009-W1073 HydrophobicContact CB-CB 4.49Å; V1009-W1073 HydrophobicContact CB-CD2 3.76Å; V1009-W1073 HydrophobicContact CB-CE3 4.06Å; V1009-W1073 HydrophobicContact CB-CG 3.96Å; V1009-W1073 HydrophobicContact CG2-CB 3.91Å; V1009-W1073 HydrophobicContact CG2-CD2 4.15Å; V1009-W1073 HydrophobicContact CG2-CG 3.81Å; V1009-F1076 HydrophobicContact CG2-CD1 3.77Å; V1009-F1076 HydrophobicContact CG2-CE1 4.25Å |
| 1010 | E | 87.9 | Confident | 88.6 | Confident | 109 Ų | 109 | 49.5 Ų | 49.5 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -72.3 | -40.9 | 178.7 | -172.8 | 64 | -157.4 | 0 | 0 | 111.7 | S1008 N1014 | S1008-E1010 PolarHBondContact O-N 2.78Å; S1008-E1010 PolarHBondContact OG-N 2.84Å; E1010-N1014 VanDerWaalsContact CD-ND2 3.35Å; E1010-N1014 WeakPolarHBondContact O-CB 3.41Å; E1010-N1014 PolarHBondContact O-N 3.11Å; E1010-N1014 PolarHBondContact O-ND2 3.47Å; E1010-N1014 PolarHBondContact OE1-ND2 3.1Å |
| 1011 | S | 85.9 | Confident | 88.5 | Confident | 49 Ų | 49 | 48.5 Ų | 48.5 | 34% | 0.343 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.1 | -38.3 | 174.6 | 46.9 | 0 | 0 | 0 | 0 | 111.5 | D1005 S1008 L1015 | D1005-S1011 PolarHBondContact O-OG 3.31Å; D1005-S1011 VanDerWaalsContact O-OG 3.07Å; S1008-S1011 WeakPolarHBondContact CB-OG 3.38Å; S1008-S1011 PolarHBondContact O-N 3.08Å; S1008-S1011 PolarHBondContact O-OG 2.96Å; S1011-L1015 WeakPolarHBondContact O-CB 3.46Å; S1011-L1015 PolarHBondContact O-N 3.04Å; S1011-L1015 VanDerWaalsContact O-N 3.08Å |
| 1012 | L | 89.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 175.6 | -175.3 | 58.9 | 0 | 0 | 0 | 111.9 | L1001 C1004 M1006 S1008 T1016 L1031 V1077 | L1001-L1012 HydrophobicContact CD1-CD1 3.93Å; C1004-L1012 HydrophobicContact CB-CD1 4.25Å; M1006-L1012 HydrophobicContact CE-CD1 4.24Å; M1006-L1012 HydrophobicContact SD-CD1 3.76Å; M1006-L1012 HydrophobicContact SD-CD2 4.07Å; M1006-L1012 HydrophobicContact SD-CG 4.46Å; S1008-L1012 PolarHBondContact O-N 2.85Å; S1008-L1012 VanDerWaalsContact O-N 3.1Å; L1012-T1016 HydrophobicContact CD1-CG2 4.05Å; L1012-T1016 WeakPolarHBondContact O-CB 3.23Å; L1012-T1016 WeakPolarHBondContact O-CG2 3.47Å; L1012-T1016 PolarHBondContact O-N 3.29Å; L1012-T1016 PolarHBondContact O-OG1 3.03Å; L1012-L1031 HydrophobicContact CD1-CD2 4.07Å; L1012-L1031 HydrophobicContact CD2-CD1 4.4Å; L1012-L1031 HydrophobicContact CD2-CD2 4.23Å; L1012-V1077 HydrophobicContact CD2-CG2 4.11Å; L1012-V1077 HydrophobicContact CG-CG2 3.99Å |
| 1013 | Y | 91.7 | Very high | 88.4 | Confident | 66 Ų | 66 | 48.8 Ų | 48.8 | 26% | 0.259 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.3 | -50.7 | 178 | -176.5 | -87.6 | 0 | 0 | 0 | 112.1 | V1009 L1015 T1016 V1017 F1076 V1077 | V1009-Y1013 WeakPolarHBondContact O-CB 3.46Å; V1009-Y1013 PolarHBondContact O-N 2.72Å; Y1013-L1015 VanDerWaalsContact C-N 3.33Å; Y1013-L1015 PolarHBondContact O-N 3.28Å; Y1013-T1016 WeakPolarHBondContact CA-OG1 3.22Å; Y1013-T1016 PolarHBondContact O-N 2.89Å; Y1013-T1016 PolarHBondContact O-OG1 3.39Å; Y1013-T1016 VanDerWaalsContact O-OG1 3.13Å; Y1013-V1017 HydrophobicContact CD1-CG2 4.2Å; Y1013-V1017 HydrophobicContact CE1-CG2 3.84Å; Y1013-V1017 HydrophobicContact CE2-CG2 4.24Å; Y1013-V1017 WeakPolarHBondContact O-CG2 3.47Å; Y1013-V1017 PolarHBondContact O-N 3.19Å; Y1013-F1076 AromaticContact CD2-CD1 3.8Å; Y1013-F1076 HydrophobicContact CD2-CD1 3.8Å; Y1013-F1076 AromaticContact CD2-CE1 3.32Å; Y1013-F1076 HydrophobicContact CD2-CE1 3.32Å; Y1013-F1076 AromaticContact CD2-CZ 3.9Å; Y1013-F1076 HydrophobicContact CD2-CZ 3.9Å; Y1013-F1076 HydrophobicContact CE2-CD1 4.42Å; Y1013-F1076 AromaticContact CE2-CE1 3.88Å; Y1013-F1076 HydrophobicContact CE2-CE1 3.88Å; Y1013-F1076 AromaticContact CE2-CZ 3.99Å; Y1013-F1076 HydrophobicContact CE2-CZ 3.99Å; Y1013-F1076 AromaticContact CG-CE1 3.82Å; Y1013-F1076 HydrophobicContact CG-CE1 3.82Å; Y1013-F1076 HydrophobicContact CG-CZ 4.45Å; Y1013-V1077 HydrophobicContact CD2-CG2 4.49Å |
| 1014 | N | 88.9 | Confident | 88.5 | Confident | 86 Ų | 86 | 45.5 Ų | 45.5 | 46% | 0.46 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.4 | -38.1 | -179.6 | -75.4 | -73.8 | 0 | 0 | 0 | 112 | E1010 | E1010-N1014 VanDerWaalsContact CD-ND2 3.35Å; E1010-N1014 WeakPolarHBondContact O-CB 3.41Å; E1010-N1014 PolarHBondContact O-N 3.11Å; E1010-N1014 PolarHBondContact O-ND2 3.47Å; E1010-N1014 PolarHBondContact OE1-ND2 3.1Å |
| 1015 | L | 89.4 | Confident | 88.7 | Confident | 56 Ų | 56 | 49.7 Ų | 49.7 | 29% | 0.293 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.1 | -51.1 | 173.9 | -175.6 | 69.1 | 0 | 0 | 0 | 111.4 | C1004 S1011 Y1013 V1017 D1018 L1019 | C1004-L1015 HydrophobicContact CB-CD2 3.64Å; C1004-L1015 WeakPolarHBondContact SG-CD2 3.27Å; S1011-L1015 WeakPolarHBondContact O-CB 3.46Å; S1011-L1015 PolarHBondContact O-N 3.04Å; S1011-L1015 VanDerWaalsContact O-N 3.08Å; Y1013-L1015 VanDerWaalsContact C-N 3.33Å; Y1013-L1015 PolarHBondContact O-N 3.28Å; L1015-V1017 VanDerWaalsContact C-N 3.32Å; L1015-V1017 PolarHBondContact O-N 2.75Å; L1015-D1018 WeakPolarHBondContact O-CB 3.48Å; L1015-D1018 PolarHBondContact O-N 3.26Å; L1015-L1019 WeakPolarHBondContact O-CG 3.45Å; L1015-L1019 PolarHBondContact O-N 3.49Å |
| 1016 | T | 89.2 | Confident | 89.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65 | -31.1 | -173.1 | 45.7 | 0 | 0 | 0 | 0 | 114.1 | L1001 L1012 Y1013 D1018 L1019 V1027 V1077 | L1001-T1016 HydrophobicContact CD1-CG2 3.42Å; L1001-T1016 VanDerWaalsContact CD1-CG2 3.42Å; L1001-T1016 HydrophobicContact CD2-CG2 4.49Å; L1012-T1016 HydrophobicContact CD1-CG2 4.05Å; L1012-T1016 WeakPolarHBondContact O-CB 3.23Å; L1012-T1016 WeakPolarHBondContact O-CG2 3.47Å; L1012-T1016 PolarHBondContact O-N 3.29Å; L1012-T1016 PolarHBondContact O-OG1 3.03Å; Y1013-T1016 WeakPolarHBondContact CA-OG1 3.22Å; Y1013-T1016 PolarHBondContact O-N 2.89Å; Y1013-T1016 PolarHBondContact O-OG1 3.39Å; Y1013-T1016 VanDerWaalsContact O-OG1 3.13Å; T1016-D1018 VanDerWaalsContact C-N 3.28Å; T1016-D1018 PolarHBondContact O-N 3.33Å; T1016-L1019 HydrophobicContact CG2-CD1 4.44Å; T1016-L1019 WeakPolarHBondContact O-CB 3.34Å; T1016-L1019 PolarHBondContact O-N 3.13Å; T1016-L1019 VanDerWaalsContact O-N 3.16Å; T1016-V1027 HydrophobicContact CG2-CG1 4.16Å; T1016-V1077 HydrophobicContact CG2-CG1 3.86Å; T1016-V1077 VanDerWaalsContact OG1-CG1 3.31Å; T1016-V1077 WeakPolarHBondContact OG1-CG1 3.27Å |
| 1017 | V | 87.7 | Confident | 89.7 | Confident | 31 Ų | 31 | 44.6 Ų | 44.6 | 19% | 0.188 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.2 | -27.6 | 174.3 | 172.5 | 0 | 0 | 0 | 0 | 112.1 | Y1013 L1015 L1019 V1084 | Y1013-V1017 HydrophobicContact CD1-CG2 4.2Å; Y1013-V1017 HydrophobicContact CE1-CG2 3.84Å; Y1013-V1017 HydrophobicContact CE2-CG2 4.24Å; Y1013-V1017 WeakPolarHBondContact O-CG2 3.47Å; Y1013-V1017 PolarHBondContact O-N 3.19Å; L1015-V1017 VanDerWaalsContact C-N 3.32Å; L1015-V1017 PolarHBondContact O-N 2.75Å; V1017-L1019 VanDerWaalsContact C-N 3.31Å; V1017-V1084 HydrophobicContact CG1-CB 4.4Å; V1017-V1084 HydrophobicContact CG1-CG1 4.34Å; V1017-V1084 HydrophobicContact CG1-CG2 4.07Å |
| 1018 | D | 88.9 | Confident | 90.2 | Very high | 105 Ų | 105 | 39.3 Ų | 39.3 | 56% | 0.561 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -7 | 172.6 | -80 | -12.5 | 0 | 0 | 0 | 113.7 | L1015 T1016 V1020 | L1015-D1018 WeakPolarHBondContact O-CB 3.48Å; L1015-D1018 PolarHBondContact O-N 3.26Å; T1016-D1018 VanDerWaalsContact C-N 3.28Å; T1016-D1018 PolarHBondContact O-N 3.33Å; D1018-V1020 VanDerWaalsContact C-N 3.27Å; D1018-V1020 PolarHBondContact O-N 3.46Å; D1018-V1020 VanDerWaalsContact O-N 3.14Å |
| 1019 | L | 91.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -88.2 | 56.3 | 179.4 | -54.6 | -175.9 | 0 | 0 | 0 | 112.3 | Q997 D1000 L1001 L1015 T1016 V1017 S1021 L1022 | Q997-L1019 HydrophobicContact CB-CB 4.37Å; Q997-L1019 HydrophobicContact CB-CD2 3.98Å; Q997-L1019 HydrophobicContact CG-CD2 3.89Å; Q997-L1019 PolarHBondContact OE1-O 3.14Å; D1000-L1019 HydrophobicContact CB-CD2 4.36Å; L1001-L1019 HydrophobicContact CB-CD1 3.75Å; L1001-L1019 HydrophobicContact CD1-CD1 4.24Å; L1001-L1019 HydrophobicContact CD2-CD1 4.34Å; L1001-L1019 HydrophobicContact CG-CD1 4.33Å; L1015-L1019 WeakPolarHBondContact O-CG 3.45Å; L1015-L1019 PolarHBondContact O-N 3.49Å; T1016-L1019 HydrophobicContact CG2-CD1 4.44Å; T1016-L1019 WeakPolarHBondContact O-CB 3.34Å; T1016-L1019 PolarHBondContact O-N 3.13Å; T1016-L1019 VanDerWaalsContact O-N 3.16Å; V1017-L1019 VanDerWaalsContact C-N 3.31Å; L1019-S1021 PolarHBondContact O-N 2.98Å; L1019-L1022 HydrophobicContact CB-CD1 4.23Å; L1019-L1022 HydrophobicContact CD1-CD1 3.94Å; L1019-L1022 PolarHBondContact O-N 3.24Å | ||
| 1020 | V | 90.2 | Very high | 90.6 | Very high | 51 Ų | 51 | 35.8 Ų | 35.8 | 31% | 0.309 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -14.6 | -172.6 | -61.4 | 0 | 0 | 0 | 0 | 116.5 | D1018 I1088 | D1018-V1020 VanDerWaalsContact C-N 3.27Å; D1018-V1020 PolarHBondContact O-N 3.46Å; D1018-V1020 VanDerWaalsContact O-N 3.14Å; V1020-I1088 HydrophobicContact CB-CD1 4.39Å; V1020-I1088 HydrophobicContact CG1-CD1 4.01Å |
| 1021 | S | 90.9 | Very high | 90.7 | Very high | 16 Ų | 16 | 30.8 Ų | 30.8 | 11% | 0.112 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -19.8 | 176.3 | 74.5 | 0 | 0 | 0 | 0 | 113.5 | Q993 R994 Q997 L1019 | Q993-S1021 PolarHBondContact O-OG 2.76Å; R994-S1021 WeakPolarHBondContact CA-OG 3.43Å; R994-S1021 PolarHBondContact NH1-O 3.48Å; Q997-S1021 VanDerWaalsContact CD-OG 3.27Å; Q997-S1021 PolarHBondContact OE1-OG 3.2Å; L1019-S1021 PolarHBondContact O-N 2.98Å |
| 1022 | L | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -86 | 123.5 | 175.6 | -62.7 | 177.4 | 0 | 0 | 0 | 110 | F939 R994 Q997 A998 L1001 L1019 V1027 I1030 A1085 | F939-L1022 HydrophobicContact CE2-CD2 3.62Å; F939-L1022 HydrophobicContact CZ-CD2 3.97Å; R994-L1022 HydrophobicContact CG-CD2 3.64Å; Q997-L1022 HydrophobicContact CB-CD1 4.15Å; Q997-L1022 HydrophobicContact CB-CG 4.11Å; A998-L1022 HydrophobicContact CB-CD2 4.46Å; L1001-L1022 HydrophobicContact CD2-CD1 4.1Å; L1019-L1022 HydrophobicContact CB-CD1 4.23Å; L1019-L1022 HydrophobicContact CD1-CD1 3.94Å; L1019-L1022 PolarHBondContact O-N 3.24Å; L1022-V1027 HydrophobicContact CB-CG2 3.7Å; L1022-V1027 HydrophobicContact CD1-CG2 4.22Å; L1022-I1030 HydrophobicContact CD1-CD1 4.46Å; L1022-A1085 WeakPolarHBondContact O-CB 3.3Å |
| 1023 | N | 92.4 | Very high | 90.7 | Very high | 7 Ų | 7 | 35.1 Ų | 35.1 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | trans | -77.1 | 164.4 | 171.8 | 74.7 | 47.2 | 0 | 0 | 0 | 111.4 | R1025 Q1026 V1027 D1086 L1089 L1121 E1122 | N1023-R1025 PolarHBondContact O-N 3.11Å; N1023-R1025 WeakPolarHBondContact OD1-CB 3.47Å; N1023-R1025 PolarHBondContact OD1-N 3.07Å; N1023-Q1026 VanDerWaalsContact N-OE1 3.16Å; N1023-Q1026 VanDerWaalsContact ND2-CD 3.33Å; N1023-Q1026 PolarHBondContact ND2-NE2 3.19Å; N1023-Q1026 WeakPolarHBondContact O-CB 3.43Å; N1023-Q1026 PolarHBondContact O-N 3.21Å; N1023-Q1026 WeakPolarHBondContact OD1-CG 3.31Å; N1023-Q1026 PolarHBondContact OD1-N 3.11Å; N1023-V1027 PolarHBondContact O-N 3.1Å; N1023-D1086 WeakPolarHBondContact CA-OD1 3.46Å; N1023-D1086 WeakPolarHBondContact CB-OD1 3.38Å; N1023-L1089 HydrophobicContact CB-CD1 3.75Å; N1023-L1121 HydrophobicContact CB-CD2 4.45Å; N1023-E1122 PolarHBondContact ND2-O 2.98Å | ||
| 1024 | S | 93.3 | Very high | 90.4 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.2 | -26 | -173.4 | 73.4 | 0 | 0 | 0 | 0 | 114.2 | Q1028 K1082 D1086 | S1024-Q1028 WeakPolarHBondContact O-CB 3.34Å; S1024-Q1028 PolarHBondContact O-N 3.33Å; S1024-K1082 VanDerWaalsContact CB-CG 3.45Å; S1024-K1082 WeakPolarHBondContact OG-CE 3.24Å; S1024-K1082 VanDerWaalsContact OG-CG 3.26Å; S1024-K1082 WeakPolarHBondContact OG-CG 3.28Å; S1024-D1086 WeakPolarHBondContact CB-OD1 3.43Å; S1024-D1086 WeakPolarHBondContact CB-OD2 3.41Å; S1024-D1086 PolarHBondContact N-OD1 2.93Å; S1024-D1086 PolarHBondContact OG-OD1 2.95Å; S1024-D1086 PolarHBondContact OG-OD2 3.19Å |
| 1025 | R | 91.2 | Very high | 89.9 | Confident | 99 Ų | 99 | 33 Ų | 33 | 37% | 0.374 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -72.1 | -42.9 | 172.7 | -63.1 | 175.4 | 132.5 | -169.5 | -5.2 | 110.8 | N1023 Q1028 I1029 H1120 L1121 V1123 | N1023-R1025 PolarHBondContact O-N 3.11Å; N1023-R1025 WeakPolarHBondContact OD1-CB 3.47Å; N1023-R1025 PolarHBondContact OD1-N 3.07Å; R1025-Q1028 PolarHBondContact O-N 3.04Å; R1025-I1029 WeakPolarHBondContact O-CD1 3.48Å; R1025-I1029 VanDerWaalsContact O-CG1 3.29Å; R1025-I1029 WeakPolarHBondContact O-CG1 3.15Å; R1025-I1029 PolarHBondContact O-N 2.93Å; R1025-H1120 PolarHBondContact NH1-CE1 3.1Å; R1025-H1120 PolarHBondContact NH1-ND1 3.36Å; R1025-H1120 PolarHBondContact NH2-CE1 2.9Å; R1025-L1121 WeakPolarHBondContact CD-O 3.28Å; R1025-L1121 PolarHBondContact NH1-O 3.42Å; R1025-V1123 HydrophobicContact CB-CG2 4.19Å |
| 1026 | Q | 93.4 | Very high | 89 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62 | -47.1 | 175.8 | -69.9 | 167.3 | -8.6 | 0 | 0 | 110.8 | F939 N1023 I1029 I1030 V1123 | F939-Q1026 HydrophobicContact CE1-CG 4.04Å; F939-Q1026 HydrophobicContact CZ-CB 4.04Å; F939-Q1026 VanDerWaalsContact CZ-CD 3.48Å; F939-Q1026 HydrophobicContact CZ-CG 3.71Å; N1023-Q1026 VanDerWaalsContact N-OE1 3.16Å; N1023-Q1026 VanDerWaalsContact ND2-CD 3.33Å; N1023-Q1026 PolarHBondContact ND2-NE2 3.19Å; N1023-Q1026 WeakPolarHBondContact O-CB 3.43Å; N1023-Q1026 PolarHBondContact O-N 3.21Å; N1023-Q1026 WeakPolarHBondContact OD1-CG 3.31Å; N1023-Q1026 PolarHBondContact OD1-N 3.11Å; Q1026-I1029 PolarHBondContact O-N 3.35Å; Q1026-I1030 WeakPolarHBondContact O-CD1 3.32Å; Q1026-I1030 VanDerWaalsContact O-CG1 3.26Å; Q1026-I1030 WeakPolarHBondContact O-CG1 3.39Å; Q1026-I1030 PolarHBondContact O-N 3.03Å; Q1026-V1123 WeakPolarHBondContact CG-O 3.31Å; Q1026-V1123 PolarHBondContact NE2-O 3.15Å |
| 1027 | V | 93.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.5 | -44.3 | 173.9 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | L1001 T1016 L1022 N1023 I1029 I1030 L1031 V1077 V1081 | L1001-V1027 HydrophobicContact CD2-CG1 4.16Å; L1001-V1027 HydrophobicContact CD2-CG2 4.34Å; T1016-V1027 HydrophobicContact CG2-CG1 4.16Å; L1022-V1027 HydrophobicContact CB-CG2 3.7Å; L1022-V1027 HydrophobicContact CD1-CG2 4.22Å; N1023-V1027 PolarHBondContact O-N 3.1Å; V1027-I1029 PolarHBondContact O-N 2.92Å; V1027-I1030 PolarHBondContact O-N 2.86Å; V1027-L1031 HydrophobicContact CG1-CD1 3.8Å; V1027-L1031 HydrophobicContact CG1-CG 4.31Å; V1027-L1031 WeakPolarHBondContact O-CG 3.49Å; V1027-L1031 PolarHBondContact O-N 2.84Å; V1027-V1077 HydrophobicContact CG1-CG1 4.16Å; V1027-V1081 HydrophobicContact CG1-CG2 4.34Å; V1027-V1081 HydrophobicContact CG2-CG1 4.08Å; V1027-V1081 HydrophobicContact CG2-CG2 4.34Å |
| 1028 | Q | 92.4 | Very high | 85.6 | Confident | 55 Ų | 55 | 39.6 Ų | 39.6 | 26% | 0.257 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -56.6 | -50.2 | 177.6 | -177.1 | 172.7 | -9.5 | 0 | 0 | 111.6 | S1024 R1025 I1030 L1031 E1032 I1074 V1078 | S1024-Q1028 WeakPolarHBondContact O-CB 3.34Å; S1024-Q1028 PolarHBondContact O-N 3.33Å; R1025-Q1028 PolarHBondContact O-N 3.04Å; Q1028-I1030 PolarHBondContact O-N 3.01Å; Q1028-L1031 PolarHBondContact O-N 3.47Å; Q1028-E1032 HydrophobicContact CG-CG 4.19Å; Q1028-E1032 WeakPolarHBondContact CG-OE1 3.4Å; Q1028-E1032 PolarHBondContact NE2-OE1 3.01Å; Q1028-E1032 WeakPolarHBondContact O-CB 3.37Å; Q1028-E1032 WeakPolarHBondContact O-CG 3.41Å; Q1028-E1032 PolarHBondContact O-N 3.31Å; Q1028-I1074 HydrophobicContact CG-CG2 4.36Å; Q1028-V1078 HydrophobicContact CB-CG1 4.41Å; Q1028-V1078 HydrophobicContact CB-CG2 3.71Å; Q1028-V1078 HydrophobicContact CG-CG2 4.27Å |
| 1029 | I | 90.2 | Very high | 83.4 | Confident | 16 Ų | 16 | 38.4 Ų | 38.4 | 8% | 0.082 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.1 | -37.1 | -177.5 | -64.1 | 158 | 0 | 0 | 0 | 111.7 | I943 L952 R1025 Q1026 V1027 L1031 N1033 V1123 | I943-I1029 HydrophobicContact CG2-CG2 3.95Å; L952-I1029 HydrophobicContact CD1-CD1 3.81Å; L952-I1029 HydrophobicContact CD1-CG1 4.39Å; R1025-I1029 WeakPolarHBondContact O-CD1 3.48Å; R1025-I1029 VanDerWaalsContact O-CG1 3.29Å; R1025-I1029 WeakPolarHBondContact O-CG1 3.15Å; R1025-I1029 PolarHBondContact O-N 2.93Å; Q1026-I1029 PolarHBondContact O-N 3.35Å; V1027-I1029 PolarHBondContact O-N 2.92Å; I1029-L1031 VanDerWaalsContact C-N 3.33Å; I1029-L1031 PolarHBondContact O-N 3.45Å; I1029-N1033 WeakPolarHBondContact O-CB 3.45Å; I1029-N1033 PolarHBondContact O-N 3.4Å; I1029-N1033 VanDerWaalsContact O-N 3.11Å; I1029-N1033 PolarHBondContact O-ND2 2.85Å; I1029-V1123 HydrophobicContact CD1-CB 4.29Å; I1029-V1123 HydrophobicContact CD1-CG1 3.39Å; I1029-V1123 HydrophobicContact CD1-CG2 3.89Å |
| 1030 | I | 91.3 | Very high | 80.8 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65 | -36.7 | 175.8 | -67.8 | 165.6 | 0 | 0 | 0 | 111.3 | I959 A998 L1001 M1002 L1022 Q1026 V1027 Q1028 Y1034 | I959-I1030 HydrophobicContact CG2-CG2 4.13Å; I959-I1030 WeakPolarHBondContact CG2-O 3.29Å; A998-I1030 HydrophobicContact CB-CD1 4.14Å; L1001-I1030 HydrophobicContact CD2-CB 4.08Å; L1001-I1030 HydrophobicContact CD2-CD1 4.31Å; L1001-I1030 HydrophobicContact CD2-CG2 3.69Å; L1001-I1030 HydrophobicContact CG-CG2 3.93Å; M1002-I1030 HydrophobicContact CG-CG2 4.13Å; L1022-I1030 HydrophobicContact CD1-CD1 4.46Å; Q1026-I1030 WeakPolarHBondContact O-CD1 3.32Å; Q1026-I1030 VanDerWaalsContact O-CG1 3.26Å; Q1026-I1030 WeakPolarHBondContact O-CG1 3.39Å; Q1026-I1030 PolarHBondContact O-N 3.03Å; V1027-I1030 PolarHBondContact O-N 2.86Å; Q1028-I1030 PolarHBondContact O-N 3.01Å; I1030-Y1034 PolarHBondContact O-N 3.25Å |
| 1031 | L | 91.1 | Very high | 78.5 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -80.3 | -36.4 | 178.4 | -65 | 177.1 | 0 | 0 | 0 | 113.3 | L1001 M1006 L1012 V1027 Q1028 I1029 N1033 Y1034 I1069 I1074 V1077 | L1001-L1031 HydrophobicContact CD1-CD2 4.14Å; M1006-L1031 HydrophobicContact CE-CD2 4.06Å; L1012-L1031 HydrophobicContact CD1-CD2 4.07Å; L1012-L1031 HydrophobicContact CD2-CD1 4.4Å; L1012-L1031 HydrophobicContact CD2-CD2 4.23Å; V1027-L1031 HydrophobicContact CG1-CD1 3.8Å; V1027-L1031 HydrophobicContact CG1-CG 4.31Å; V1027-L1031 WeakPolarHBondContact O-CG 3.49Å; V1027-L1031 PolarHBondContact O-N 2.84Å; Q1028-L1031 PolarHBondContact O-N 3.47Å; I1029-L1031 VanDerWaalsContact C-N 3.33Å; I1029-L1031 PolarHBondContact O-N 3.45Å; L1031-N1033 VanDerWaalsContact C-N 3.35Å; L1031-Y1034 PolarHBondContact O-N 3.16Å; L1031-I1069 HydrophobicContact CB-CD1 4.4Å; L1031-I1069 HydrophobicContact CD2-CD1 3.83Å; L1031-I1074 HydrophobicContact CB-CD1 4.2Å; L1031-I1074 HydrophobicContact CB-CG1 4.11Å; L1031-I1074 HydrophobicContact CB-CG2 4.1Å; L1031-I1074 HydrophobicContact CD1-CG2 4.4Å; L1031-V1077 HydrophobicContact CD1-CB 4.42Å; L1031-V1077 HydrophobicContact CD1-CG1 3.78Å |
| 1032 | E | 88.5 | Confident | 76 | Confident | 82 Ų | 82 | 51.4 Ų | 51.4 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.4 | -34.2 | 177.1 | -75 | 177.3 | 168.9 | 0 | 0 | 112.2 | Q1028 I1074 | Q1028-E1032 HydrophobicContact CG-CG 4.19Å; Q1028-E1032 WeakPolarHBondContact CG-OE1 3.4Å; Q1028-E1032 PolarHBondContact NE2-OE1 3.01Å; Q1028-E1032 WeakPolarHBondContact O-CB 3.37Å; Q1028-E1032 WeakPolarHBondContact O-CG 3.41Å; Q1028-E1032 PolarHBondContact O-N 3.31Å; E1032-I1074 HydrophobicContact CG-CD1 4Å; E1032-I1074 HydrophobicContact CG-CG2 4.39Å |
| 1033 | N | 86.3 | Confident | 73.6 | Confident | 59 Ų | 59 | 55 Ų | 55 | 32% | 0.316 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 9.8 | 179.3 | -70.9 | -38.2 | 0 | 0 | 0 | 114.3 | S956 I959 I1029 L1031 Q1035 | S956-N1033 PolarHBondContact OG-ND2 2.95Å; I959-N1033 HydrophobicContact CB-CB 4.49Å; I959-N1033 HydrophobicContact CD1-CB 3.74Å; I1029-N1033 WeakPolarHBondContact O-CB 3.45Å; I1029-N1033 PolarHBondContact O-N 3.4Å; I1029-N1033 VanDerWaalsContact O-N 3.11Å; I1029-N1033 PolarHBondContact O-ND2 2.85Å; L1031-N1033 VanDerWaalsContact C-N 3.35Å; N1033-Q1035 PolarHBondContact O-N 3.01Å |
| 1034 | Y | 87 | Confident | 71.2 | Confident | 18 Ų | 18 | 57 Ų | 57 | 7% | 0.071 | 31% | 0.305 | C | S | . | . | trans | -69.3 | 116.6 | -175.5 | -172.6 | -99.7 | 0 | 0 | 0 | 112.8 | I959 M1002 M1006 I1030 L1031 L1036 I1069 | I959-Y1034 HydrophobicContact CG2-CD2 4.48Å; M1002-Y1034 WeakPolarHBondContact O-CE2 3.16Å; M1002-Y1034 PolarHBondContact O-OH 2.88Å; M1006-Y1034 HydrophobicContact CE-CD1 4.28Å; M1006-Y1034 HydrophobicContact CE-CD2 3.9Å; M1006-Y1034 HydrophobicContact CE-CE1 3.97Å; M1006-Y1034 HydrophobicContact CE-CE2 3.56Å; M1006-Y1034 HydrophobicContact CE-CG 4.22Å; M1006-Y1034 HydrophobicContact CG-CD1 4.34Å; M1006-Y1034 HydrophobicContact CG-CE1 3.63Å; I1030-Y1034 PolarHBondContact O-N 3.25Å; L1031-Y1034 PolarHBondContact O-N 3.16Å; Y1034-L1036 HydrophobicContact CE1-CD2 4.3Å; Y1034-L1036 HydrophobicContact CE1-CG 4.04Å; Y1034-I1069 HydrophobicContact CD1-CD1 3.96Å; Y1034-I1069 HydrophobicContact CD1-CG1 4.35Å; Y1034-I1069 HydrophobicContact CG-CD1 4.08Å | ||
| 1035 | Q | 78.6 | Confident | 68.8 | Low | 88 Ų | 88 | 63.8 Ų | 63.8 | 41% | 0.411 | 34% | 0.336 | S | S | . | . | trans | -106.6 | 113.2 | -176.8 | -67.5 | 178.6 | 12.5 | 0 | 0 | 112.7 | I959 S960 P961 N1033 I1037 | I959-Q1035 PolarHBondContact O-N 3.44Å; S960-Q1035 WeakPolarHBondContact CB-O 3.02Å; P961-Q1035 VanDerWaalsContact CD-O 3.22Å; P961-Q1035 WeakPolarHBondContact CD-O 3.29Å; N1033-Q1035 PolarHBondContact O-N 3.01Å; Q1035-I1037 PolarHBondContact O-N 3.42Å | ||
| 1036 | L | 68.6 | Low | 66.5 | Low | 79 Ų | 79 | 65 Ų | 65 | 41% | 0.414 | 35% | 0.349 | S | S | . | . | trans | -77.5 | 109.6 | 164 | -78 | 160.1 | 0 | 0 | 0 | 109.4 | Y1034 N1038 | Y1034-L1036 HydrophobicContact CE1-CD2 4.3Å; Y1034-L1036 HydrophobicContact CE1-CG 4.04Å; L1036-N1038 VanDerWaalsContact C-N 3.31Å; L1036-N1038 PolarHBondContact O-N 2.85Å | ||
| 1037 | I | 60 | Low | 64.2 | Low | 85 Ų | 85 | 69.5 Ų | 69.5 | 44% | 0.436 | 37% | 0.372 | S | S | . | . | trans | -75.6 | 86.1 | 177.1 | -60.3 | 169.1 | 0 | 0 | 0 | 108.3 | I962 Q1035 | I962-I1037 HydrophobicContact CD1-CD1 3.81Å; I962-I1037 HydrophobicContact CG1-CD1 4.18Å; Q1035-I1037 PolarHBondContact O-N 3.42Å | ||
| 1038 | N | 46.3 | Very low | 61.8 | Low | 63 Ų | 63 | 77.4 Ų | 77.4 | 34% | 0.337 | 41% | 0.409 | S | S | . | . | trans | -82.5 | 144.2 | 176.2 | -70.9 | -28.1 | 0 | 0 | 0 | 111 | L1036 N1040 Q1067 | L1036-N1038 VanDerWaalsContact C-N 3.31Å; L1036-N1038 PolarHBondContact O-N 2.85Å; N1038-N1040 PolarHBondContact O-N 3.29Å; N1038-Q1067 VanDerWaalsContact ND2-CD 3.32Å; N1038-Q1067 PolarHBondContact ND2-NE2 3.18Å; N1038-Q1067 VanDerWaalsContact ND2-NE2 3.15Å | ||
| 1039 | A | 41.8 | Very low | 59.6 | Low | 80 Ų | 80 | 81.7 Ų | 81.7 | 66% | 0.661 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 23.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 1040 | N | 36.7 | Very low | 57.5 | Low | 100 Ų | 100 | 84.9 Ų | 84.9 | 54% | 0.535 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 4.5 | -164.5 | -65.3 | 31.4 | 0 | 0 | 0 | 114.1 | N1038 E1042 T1043 | N1038-N1040 PolarHBondContact O-N 3.29Å; N1040-E1042 PolarHBondContact O-N 3.32Å; N1040-E1042 VanDerWaalsContact O-N 3.13Å; N1040-T1043 WeakPolarHBondContact O-CB 3.47Å; N1040-T1043 PolarHBondContact O-N 3.3Å; N1040-T1043 PolarHBondContact O-OG1 3.25Å |
| 1041 | N | 43 | Very low | 55 | Low | 120 Ų | 120 | 91.7 Ų | 91.7 | 64% | 0.642 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -22.5 | -171 | -75.4 | 1.1 | 0 | 0 | 0 | 114.6 | T1043 A1044 | N1041-T1043 PolarHBondContact O-N 3.45Å; N1041-A1044 WeakPolarHBondContact O-CB 3.43Å; N1041-A1044 PolarHBondContact O-N 2.94Å |
| 1042 | E | 38.8 | Very low | 52.7 | Low | 119 Ų | 119 | 96.5 Ų | 96.5 | 56% | 0.556 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -56 | -31.7 | 169.8 | -65 | -176 | 104 | 0 | 0 | 112.3 | H837 N1040 A1044 L1046 | H837-E1042 IonicContact CE1-OE1 3.13Å; H837-E1042 PolarHBondContact CE1-OE1 2.9Å; H837-E1042 VanDerWaalsContact CE1-OE1 3.23Å; H837-E1042 IonicContact NE2-OE1 3.24Å; N1040-E1042 PolarHBondContact O-N 3.32Å; N1040-E1042 VanDerWaalsContact O-N 3.13Å; E1042-A1044 VanDerWaalsContact C-N 3.34Å; E1042-A1044 PolarHBondContact O-N 3.38Å; E1042-L1046 WeakPolarHBondContact O-CG 3.46Å; E1042-L1046 PolarHBondContact O-N 3.49Å |
| 1043 | T | 41.1 | Very low | 50.4 | Low | 76 Ų | 76 | 99 Ų | 99 | 47% | 0.466 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -72.8 | -25 | 177.7 | 64.7 | 0 | 0 | 0 | 0 | 113.3 | N1040 N1041 I1047 | N1040-T1043 WeakPolarHBondContact O-CB 3.47Å; N1040-T1043 PolarHBondContact O-N 3.3Å; N1040-T1043 PolarHBondContact O-OG1 3.25Å; N1041-T1043 PolarHBondContact O-N 3.45Å; T1043-I1047 WeakPolarHBondContact O-CB 3.4Å; T1043-I1047 WeakPolarHBondContact O-CD1 3.21Å; T1043-I1047 VanDerWaalsContact O-CG1 3.22Å; T1043-I1047 WeakPolarHBondContact O-CG1 3.4Å; T1043-I1047 PolarHBondContact O-N 2.95Å; T1043-I1047 VanDerWaalsContact O-N 3.09Å |
| 1044 | A | 42.5 | Very low | 48.1 | Very low | 50 Ų | 50 | 99.8 Ų | 99.8 | 41% | 0.413 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72 | -40.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1041 E1042 Q1048 | N1041-A1044 WeakPolarHBondContact O-CB 3.43Å; N1041-A1044 PolarHBondContact O-N 2.94Å; E1042-A1044 VanDerWaalsContact C-N 3.34Å; E1042-A1044 PolarHBondContact O-N 3.38Å; A1044-Q1048 PolarHBondContact O-N 3Å |
| 1045 | E | 41.8 | Very low | 45.5 | Very low | 144 Ų | 144 | 106 Ų | 106 | 67% | 0.673 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -76.8 | -27.1 | 177.2 | -64.2 | -171.5 | 153.8 | 0 | 0 | 112.2 | N1049 | E1045-N1049 PolarHBondContact O-ND2 3.1Å |
| 1046 | L | 43.4 | Very low | 43.6 | Very low | 124 Ų | 124 | 108.9 Ų | 108.9 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -72.3 | -33.4 | 172 | -72.5 | 170 | 0 | 0 | 0 | 113.3 | E1042 S1050 | E1042-L1046 WeakPolarHBondContact O-CG 3.46Å; E1042-L1046 PolarHBondContact O-N 3.49Å; L1046-S1050 PolarHBondContact O-OG 3.07Å |
| 1047 | I | 46.5 | Very low | 41.9 | Very low | 97 Ų | 97 | 111.8 Ų | 111.8 | 50% | 0.497 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -73.9 | -35 | 177.7 | -71 | 167 | 0 | 0 | 0 | 111.7 | T1043 N1049 S1050 | T1043-I1047 WeakPolarHBondContact O-CB 3.4Å; T1043-I1047 WeakPolarHBondContact O-CD1 3.21Å; T1043-I1047 VanDerWaalsContact O-CG1 3.22Å; T1043-I1047 WeakPolarHBondContact O-CG1 3.4Å; T1043-I1047 PolarHBondContact O-N 2.95Å; T1043-I1047 VanDerWaalsContact O-N 3.09Å; I1047-N1049 VanDerWaalsContact C-N 3.28Å; I1047-N1049 PolarHBondContact O-N 3.39Å; I1047-S1050 PolarHBondContact O-N 3.27Å; I1047-S1050 PolarHBondContact O-OG 2.97Å; I1047-S1050 VanDerWaalsContact O-OG 3.13Å |
| 1048 | Q | 42.8 | Very low | 40.8 | Very low | 166 Ų | 166 | 115.4 Ų | 115.4 | 78% | 0.776 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -71.1 | -21.4 | 177.1 | -70.8 | -173.6 | 1.8 | 0 | 0 | 113.8 | A1044 | A1044-Q1048 PolarHBondContact O-N 3Å |
| 1049 | N | 44.6 | Very low | 40.3 | Very low | 145 Ų | 145 | 119.1 Ų | 119.1 | 78% | 0.775 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 6.2 | 178.4 | -74.8 | -65.6 | 0 | 0 | 0 | 114.3 | E1045 I1047 | E1045-N1049 PolarHBondContact O-ND2 3.1Å; I1047-N1049 VanDerWaalsContact C-N 3.28Å; I1047-N1049 PolarHBondContact O-N 3.39Å |
| 1050 | S | 47 | Very low | 40.2 | Very low | 83 Ų | 83 | 122.5 Ų | 122.5 | 58% | 0.58 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -120.7 | 2.4 | -173.5 | 44 | 0 | 0 | 0 | 0 | 115.6 | L1046 I1047 S1052 | L1046-S1050 PolarHBondContact O-OG 3.07Å; I1047-S1050 PolarHBondContact O-N 3.27Å; I1047-S1050 PolarHBondContact O-OG 2.97Å; I1047-S1050 VanDerWaalsContact O-OG 3.13Å; S1050-S1052 PolarHBondContact O-N 2.99Å |
| 1051 | Q | 39.5 | Very low | 40.3 | Very low | 145 Ų | 145 | 121 Ų | 121 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | trans | -97.5 | 75.4 | 178.1 | -68 | -167.4 | -11.6 | 0 | 0 | 113.1 | ||||
| 1052 | S | 41.5 | Very low | 40.1 | Very low | 104 Ų | 104 | 120.1 Ų | 120.1 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -138.8 | 122.3 | 161 | 71.5 | 0 | 0 | 0 | 0 | 111.2 | S1050 | S1050-S1052 PolarHBondContact O-N 2.99Š|
| 1053 | S | 40.9 | Very low | 39.9 | Very low | 133 Ų | 133 | 121.9 Ų | 121.9 | 93% | 0.93 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 67.4 | 123.4 | -173.3 | -46.5 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1054 | G | 37.3 | Very low | 39.8 | Very low | 77 Ų | 77 | 123.9 Ų | 123.9 | 79% | 0.794 | 71% | 0.706 | S | S | * | * | trans | 139.6 | 86.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1056 | G1054-I1056 PolarHBondContact O-N 3.43Š| ||
| 1055 | T | 32.1 | Very low | 39.7 | Very low | 148 Ų | 148 | 128 Ų | 128 | 91% | 0.908 | 72% | 0.717 | S | S | * | * | trans | -69.7 | 106.7 | 175.1 | 46.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1056 | I | 38.8 | Very low | 39.6 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | trans | -135.7 | 127.6 | 161.4 | -58.5 | -178.2 | 0 | 0 | 0 | 108.7 | G1054 M1058 | G1054-I1056 PolarHBondContact O-N 3.43Å; I1056-M1058 HydrophobicContact CG2-CG 4.1Å | ||
| 1057 | T | 33.2 | Very low | 40.2 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 85% | 0.853 | 71% | 0.713 | S | S | * | * | trans | -93.4 | 103.2 | 178.5 | 50.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 1058 | M | 36.6 | Very low | 41.2 | Very low | 162 Ų | 162 | 130.8 Ų | 130.8 | 80% | 0.798 | 73% | 0.725 | S | S | * | * | trans | -144.3 | 154.9 | 170.6 | -65.1 | -64.1 | -85.5 | 0 | 0 | 110.2 | I1056 E1060 | I1056-M1058 HydrophobicContact CG2-CG 4.1Å; M1058-E1060 PolarHBondContact O-N 2.86Å | ||
| 1059 | D | 36 | Very low | 43.1 | Very low | 141 Ų | 141 | 123.9 Ų | 123.9 | 75% | 0.754 | 69% | 0.693 | S | S | * | * | trans | -74.1 | 101.5 | -168.5 | -61.3 | -59.1 | 0 | 0 | 0 | 114.9 | S1061 | D1059-S1061 VanDerWaalsContact C-N 3.25Å; D1059-S1061 PolarHBondContact O-N 3.27Å | ||
| 1060 | E | 39.9 | Very low | 45.1 | Very low | 151 Ų | 151 | 120 Ų | 120 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -71.8 | -10.8 | 172.5 | -76.1 | -171.1 | 131.4 | 0 | 0 | 114.4 | M1058 N1062 | M1058-E1060 PolarHBondContact O-N 2.86Å; E1060-N1062 PolarHBondContact O-N 3.2Å |
| 1061 | S | 40 | Very low | 47 | Very low | 68 Ų | 68 | 123.9 Ų | 123.9 | 48% | 0.476 | 68% | 0.678 | S | S | . | * | G | 310 helix | trans | -66.8 | -8.9 | -167.6 | 64.2 | 0 | 0 | 0 | 0 | 116.4 | D1059 Q1065 | D1059-S1061 VanDerWaalsContact C-N 3.25Å; D1059-S1061 PolarHBondContact O-N 3.27Å; S1061-Q1065 PolarHBondContact O-NE2 3.09Å |
| 1062 | N | 38.5 | Very low | 49.3 | Very low | 102 Ų | 102 | 120.2 Ų | 120.2 | 55% | 0.545 | 67% | 0.672 | S | S | . | * | G | 310 helix | trans | -109.3 | -10.9 | -163.8 | -64.7 | -26.1 | 0 | 0 | 0 | 114.8 | E1060 | E1060-N1062 PolarHBondContact O-N 3.2Š|
| 1063 | L | 35 | Very low | 51.8 | Low | 156 Ų | 156 | 119.3 Ų | 119.3 | 82% | 0.817 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -91 | -20.5 | -175.4 | -138.1 | 73.3 | 0 | 0 | 0 | 114.3 | ||
| 1064 | T | 37.8 | Very low | 54.2 | Low | 117 Ų | 117 | 113.5 Ų | 113.5 | 72% | 0.718 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -88.5 | -11.9 | -177 | 47.8 | 0 | 0 | 0 | 0 | 114.5 | Q1066 | T1064-Q1066 PolarHBondContact O-N 3.4Š|
| 1065 | Q | 40.5 | Very low | 56.7 | Low | 136 Ų | 136 | 114.6 Ų | 114.6 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -80.7 | -8.7 | -171.2 | -61.2 | -173.6 | 26.2 | 0 | 0 | 114.9 | S1061 Q1067 | S1061-Q1065 PolarHBondContact O-NE2 3.09Å; Q1065-Q1067 VanDerWaalsContact C-N 3.35Å; Q1065-Q1067 PolarHBondContact O-N 2.9Å |
| 1066 | Q | 39.6 | Very low | 59.6 | Low | 172 Ų | 172 | 112.5 Ų | 112.5 | 80% | 0.804 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -83.8 | 6.1 | -169 | -64.9 | -168.4 | -4.9 | 0 | 0 | 115.9 | T1064 | T1064-Q1066 PolarHBondContact O-N 3.4Š|
| 1067 | Q | 56.4 | Low | 62.1 | Low | 95 Ų | 95 | 105.4 Ų | 105.4 | 44% | 0.444 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -119.8 | -7.2 | -173.6 | -60.8 | -166.1 | 0.3 | 0 | 0 | 116 | N1038 Q1065 | N1038-Q1067 VanDerWaalsContact ND2-CD 3.32Å; N1038-Q1067 PolarHBondContact ND2-NE2 3.18Å; N1038-Q1067 VanDerWaalsContact ND2-NE2 3.15Å; Q1065-Q1067 VanDerWaalsContact C-N 3.35Å; Q1065-Q1067 PolarHBondContact O-N 2.9Å |
| 1068 | Q | 67.9 | Low | 65 | Low | 158 Ų | 158 | 99 Ų | 99 | 74% | 0.738 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -103.2 | 146.3 | 178.6 | -70.5 | -177.2 | -21.3 | 0 | 0 | 111.4 | ||
| 1069 | I | 81.5 | Confident | 67.7 | Low | 21 Ų | 21 | 94.2 Ų | 94.2 | 11% | 0.108 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 129.2 | 173.7 | -59 | 178.3 | 0 | 0 | 0 | 108.1 | M1006 L1031 Y1034 R1071 W1073 I1074 | M1006-I1069 HydrophobicContact CE-CD1 4.07Å; M1006-I1069 HydrophobicContact CG-CD1 4.32Å; M1006-I1069 HydrophobicContact SD-CD1 3.77Å; L1031-I1069 HydrophobicContact CB-CD1 4.4Å; L1031-I1069 HydrophobicContact CD2-CD1 3.83Å; Y1034-I1069 HydrophobicContact CD1-CD1 3.96Å; Y1034-I1069 HydrophobicContact CD1-CG1 4.35Å; Y1034-I1069 HydrophobicContact CG-CD1 4.08Å; I1069-R1071 PolarHBondContact O-N 3.09Å; I1069-W1073 HydrophobicContact CG2-CB 4.33Å; I1069-W1073 HydrophobicContact CG2-CE3 4.46Å; I1069-I1074 HydrophobicContact CB-CD1 4.22Å; I1069-I1074 HydrophobicContact CB-CG1 4.21Å; I1069-I1074 HydrophobicContact CG2-CD1 4.36Å; I1069-I1074 HydrophobicContact CG2-CG1 3.8Å |
| 1070 | P | 86.3 | Confident | 70.3 | Confident | 63 Ų | 63 | 87.6 Ų | 87.6 | 41% | 0.409 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 126 | -178.2 | -27.3 | 34.9 | 0 | 0 | 0 | 111.5 | A1072 W1073 I1074 | P1070-A1072 PolarHBondContact O-N 3.46Å; P1070-W1073 HydrophobicContact CB-CB 4.5Å; P1070-W1073 HydrophobicContact CB-CD2 4.24Å; P1070-W1073 HydrophobicContact CB-CG 4.01Å; P1070-W1073 HydrophobicContact CG-CD2 3.98Å; P1070-W1073 HydrophobicContact CG-CE3 4.33Å; P1070-W1073 HydrophobicContact CG-CG 4.29Å; P1070-W1073 WeakPolarHBondContact O-CA 3.46Å; P1070-W1073 VanDerWaalsContact O-CB 3.29Å; P1070-W1073 WeakPolarHBondContact O-CB 3.24Å; P1070-W1073 PolarHBondContact O-N 3.32Å; P1070-I1074 PolarHBondContact O-N 3.29Å |
| 1071 | R | 87.5 | Confident | 72.8 | Confident | 165 Ų | 165 | 80.4 Ų | 80.4 | 62% | 0.623 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -52.8 | -36.3 | -175.8 | -177.1 | 177.5 | 172.3 | 117.4 | 16.8 | 113.4 | I1069 W1073 I1074 E1075 | I1069-R1071 PolarHBondContact O-N 3.09Å; R1071-W1073 VanDerWaalsContact C-N 3.3Å; R1071-W1073 PolarHBondContact O-N 3.35Å; R1071-I1074 PolarHBondContact O-N 2.9Å; R1071-E1075 HydrophobicContact CG-CG 4.36Å; R1071-E1075 IonicContact CZ-OE1 3.27Å; R1071-E1075 VanDerWaalsContact CZ-OE1 3.27Å; R1071-E1075 IonicContact NE-OE1 3.63Å; R1071-E1075 PolarHBondContact NE-OE1 2.97Å; R1071-E1075 IonicContact NH2-OE1 2.9Å; R1071-E1075 PolarHBondContact NH2-OE1 3Å; R1071-E1075 WeakPolarHBondContact O-CG 3.23Å; R1071-E1075 PolarHBondContact O-N 2.92Å |
| 1072 | A | 88.6 | Confident | 75.2 | Confident | 68 Ų | 68 | 82 Ų | 82 | 56% | 0.562 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.8 | -30.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P1070 F1076 | P1070-A1072 PolarHBondContact O-N 3.46Å; A1072-F1076 VanDerWaalsContact O-CB 3.27Å; A1072-F1076 WeakPolarHBondContact O-CB 3.16Å; A1072-F1076 PolarHBondContact O-N 3.28Å |
| 1073 | W | 92.6 | Very high | 77.6 | Confident | 85 Ų | 85 | 83.8 Ų | 83.8 | 32% | 0.322 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -72.2 | -42.1 | 172.8 | -64.1 | 8.7 | 0 | 0 | 0 | 110.6 | V1009 I1069 P1070 R1071 F1076 V1077 | V1009-W1073 HydrophobicContact CB-CB 4.49Å; V1009-W1073 HydrophobicContact CB-CD2 3.76Å; V1009-W1073 HydrophobicContact CB-CE3 4.06Å; V1009-W1073 HydrophobicContact CB-CG 3.96Å; V1009-W1073 HydrophobicContact CG2-CB 3.91Å; V1009-W1073 HydrophobicContact CG2-CD2 4.15Å; V1009-W1073 HydrophobicContact CG2-CG 3.81Å; I1069-W1073 HydrophobicContact CG2-CB 4.33Å; I1069-W1073 HydrophobicContact CG2-CE3 4.46Å; P1070-W1073 HydrophobicContact CB-CB 4.5Å; P1070-W1073 HydrophobicContact CB-CD2 4.24Å; P1070-W1073 HydrophobicContact CB-CG 4.01Å; P1070-W1073 HydrophobicContact CG-CD2 3.98Å; P1070-W1073 HydrophobicContact CG-CE3 4.33Å; P1070-W1073 HydrophobicContact CG-CG 4.29Å; P1070-W1073 WeakPolarHBondContact O-CA 3.46Å; P1070-W1073 VanDerWaalsContact O-CB 3.29Å; P1070-W1073 WeakPolarHBondContact O-CB 3.24Å; P1070-W1073 PolarHBondContact O-N 3.32Å; R1071-W1073 VanDerWaalsContact C-N 3.3Å; R1071-W1073 PolarHBondContact O-N 3.35Å; W1073-F1076 PolarHBondContact O-N 3.06Å; W1073-V1077 VanDerWaalsContact O-CB 3.31Å; W1073-V1077 WeakPolarHBondContact O-CB 3.35Å; W1073-V1077 VanDerWaalsContact O-CG2 3.28Å; W1073-V1077 WeakPolarHBondContact O-CG2 3.41Å; W1073-V1077 PolarHBondContact O-N 2.97Å |
| 1074 | I | 91.5 | Very high | 80.2 | Confident | 11 Ų | 11 | 78.8 Ų | 78.8 | 6% | 0.056 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.7 | -50.3 | 174.7 | -53.8 | -179.4 | 0 | 0 | 0 | 109.7 | Q1028 L1031 E1032 I1069 P1070 R1071 F1076 V1077 V1078 | Q1028-I1074 HydrophobicContact CG-CG2 4.36Å; L1031-I1074 HydrophobicContact CB-CD1 4.2Å; L1031-I1074 HydrophobicContact CB-CG1 4.11Å; L1031-I1074 HydrophobicContact CB-CG2 4.1Å; L1031-I1074 HydrophobicContact CD1-CG2 4.4Å; E1032-I1074 HydrophobicContact CG-CD1 4Å; E1032-I1074 HydrophobicContact CG-CG2 4.39Å; I1069-I1074 HydrophobicContact CB-CD1 4.22Å; I1069-I1074 HydrophobicContact CB-CG1 4.21Å; I1069-I1074 HydrophobicContact CG2-CD1 4.36Å; I1069-I1074 HydrophobicContact CG2-CG1 3.8Å; P1070-I1074 PolarHBondContact O-N 3.29Å; R1071-I1074 PolarHBondContact O-N 2.9Å; I1074-F1076 VanDerWaalsContact C-N 3.35Å; I1074-F1076 PolarHBondContact O-N 3.17Å; I1074-V1077 PolarHBondContact O-N 3.33Å; I1074-V1078 HydrophobicContact CG2-CG2 3.99Å; I1074-V1078 WeakPolarHBondContact O-CB 3.27Å; I1074-V1078 WeakPolarHBondContact O-CG2 3.23Å; I1074-V1078 PolarHBondContact O-N 3.35Å |
| 1075 | E | 91.4 | Very high | 82.7 | Confident | 99 Ų | 99 | 73.3 Ų | 73.3 | 46% | 0.463 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.3 | -37.5 | -179.3 | -72 | 174.8 | 174.5 | 0 | 0 | 112.4 | R1071 S1079 | R1071-E1075 HydrophobicContact CG-CG 4.36Å; R1071-E1075 IonicContact CZ-OE1 3.27Å; R1071-E1075 VanDerWaalsContact CZ-OE1 3.27Å; R1071-E1075 IonicContact NE-OE1 3.63Å; R1071-E1075 PolarHBondContact NE-OE1 2.97Å; R1071-E1075 IonicContact NH2-OE1 2.9Å; R1071-E1075 PolarHBondContact NH2-OE1 3Å; R1071-E1075 WeakPolarHBondContact O-CG 3.23Å; R1071-E1075 PolarHBondContact O-N 2.92Å; E1075-S1079 WeakPolarHBondContact O-CB 3.42Å; E1075-S1079 PolarHBondContact O-N 2.89Å |
| 1076 | F | 92.4 | Very high | 85.1 | Confident | 104 Ų | 104 | 67.8 Ų | 67.8 | 46% | 0.456 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.8 | -50.1 | 172.9 | 175.7 | -105.3 | 0 | 0 | 0 | 112.7 | V1009 Y1013 A1072 W1073 I1074 S1079 G1080 | V1009-F1076 HydrophobicContact CG2-CD1 3.77Å; V1009-F1076 HydrophobicContact CG2-CE1 4.25Å; Y1013-F1076 AromaticContact CD2-CD1 3.8Å; Y1013-F1076 HydrophobicContact CD2-CD1 3.8Å; Y1013-F1076 AromaticContact CD2-CE1 3.32Å; Y1013-F1076 HydrophobicContact CD2-CE1 3.32Å; Y1013-F1076 AromaticContact CD2-CZ 3.9Å; Y1013-F1076 HydrophobicContact CD2-CZ 3.9Å; Y1013-F1076 HydrophobicContact CE2-CD1 4.42Å; Y1013-F1076 AromaticContact CE2-CE1 3.88Å; Y1013-F1076 HydrophobicContact CE2-CE1 3.88Å; Y1013-F1076 AromaticContact CE2-CZ 3.99Å; Y1013-F1076 HydrophobicContact CE2-CZ 3.99Å; Y1013-F1076 AromaticContact CG-CE1 3.82Å; Y1013-F1076 HydrophobicContact CG-CE1 3.82Å; Y1013-F1076 HydrophobicContact CG-CZ 4.45Å; A1072-F1076 VanDerWaalsContact O-CB 3.27Å; A1072-F1076 WeakPolarHBondContact O-CB 3.16Å; A1072-F1076 PolarHBondContact O-N 3.28Å; W1073-F1076 PolarHBondContact O-N 3.06Å; I1074-F1076 VanDerWaalsContact C-N 3.35Å; I1074-F1076 PolarHBondContact O-N 3.17Å; F1076-S1079 WeakPolarHBondContact O-CB 3.16Å; F1076-S1079 PolarHBondContact O-N 2.81Å; F1076-G1080 PolarHBondContact O-N 2.84Å; F1076-G1080 VanDerWaalsContact O-N 3.13Å |
| 1077 | V | 92 | Very high | 87.4 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.8 | -49.2 | 178.2 | 162.2 | 0 | 0 | 0 | 0 | 111.3 | L1012 Y1013 T1016 V1027 L1031 W1073 I1074 S1079 G1080 V1081 | L1012-V1077 HydrophobicContact CD2-CG2 4.11Å; L1012-V1077 HydrophobicContact CG-CG2 3.99Å; Y1013-V1077 HydrophobicContact CD2-CG2 4.49Å; T1016-V1077 HydrophobicContact CG2-CG1 3.86Å; T1016-V1077 VanDerWaalsContact OG1-CG1 3.31Å; T1016-V1077 WeakPolarHBondContact OG1-CG1 3.27Å; V1027-V1077 HydrophobicContact CG1-CG1 4.16Å; L1031-V1077 HydrophobicContact CD1-CB 4.42Å; L1031-V1077 HydrophobicContact CD1-CG1 3.78Å; W1073-V1077 VanDerWaalsContact O-CB 3.31Å; W1073-V1077 WeakPolarHBondContact O-CB 3.35Å; W1073-V1077 VanDerWaalsContact O-CG2 3.28Å; W1073-V1077 WeakPolarHBondContact O-CG2 3.41Å; W1073-V1077 PolarHBondContact O-N 2.97Å; I1074-V1077 PolarHBondContact O-N 3.33Å; V1077-S1079 PolarHBondContact O-N 2.79Å; V1077-G1080 PolarHBondContact O-N 3.26Å; V1077-V1081 WeakPolarHBondContact O-CG2 3.44Å; V1077-V1081 PolarHBondContact O-N 3.5Å |
| 1078 | V | 93.1 | Very high | 88.8 | Confident | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.024 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.8 | -31.1 | 177.3 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | Q1028 I1074 K1082 | Q1028-V1078 HydrophobicContact CB-CG1 4.41Å; Q1028-V1078 HydrophobicContact CB-CG2 3.71Å; Q1028-V1078 HydrophobicContact CG-CG2 4.27Å; I1074-V1078 HydrophobicContact CG2-CG2 3.99Å; I1074-V1078 WeakPolarHBondContact O-CB 3.27Å; I1074-V1078 WeakPolarHBondContact O-CG2 3.23Å; I1074-V1078 PolarHBondContact O-N 3.35Å; V1078-K1082 HydrophobicContact CG1-CD 4.16Å; V1078-K1082 WeakPolarHBondContact O-CB 3.2Å; V1078-K1082 WeakPolarHBondContact O-CD 3.45Å; V1078-K1082 VanDerWaalsContact O-CG 3.23Å; V1078-K1082 WeakPolarHBondContact O-CG 3.38Å; V1078-K1082 PolarHBondContact O-N 2.9Å |
| 1079 | S | 92.3 | Very high | 89.6 | Confident | 62 Ų | 62 | 57.7 Ų | 57.7 | 43% | 0.434 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.4 | -38.8 | 171.8 | -166.2 | 0 | 0 | 0 | 0 | 112.7 | E1075 F1076 V1077 K1082 M1083 | E1075-S1079 WeakPolarHBondContact O-CB 3.42Å; E1075-S1079 PolarHBondContact O-N 2.89Å; F1076-S1079 WeakPolarHBondContact O-CB 3.16Å; F1076-S1079 PolarHBondContact O-N 2.81Å; V1077-S1079 PolarHBondContact O-N 2.79Å; S1079-K1082 PolarHBondContact O-N 3.16Å; S1079-M1083 WeakPolarHBondContact O-CG 3.39Å; S1079-M1083 PolarHBondContact O-N 3.24Å |
| 1080 | G | 90.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 60 Ų | 60 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.8 | -47.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1076 V1077 K1082 M1083 V1084 | F1076-G1080 PolarHBondContact O-N 2.84Å; F1076-G1080 VanDerWaalsContact O-N 3.13Å; V1077-G1080 PolarHBondContact O-N 3.26Å; G1080-K1082 VanDerWaalsContact C-N 3.3Å; G1080-K1082 PolarHBondContact O-N 3.21Å; G1080-M1083 PolarHBondContact O-N 2.93Å; G1080-V1084 PolarHBondContact O-N 3.25Å |
| 1081 | V | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.7 | -36.1 | 177.4 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | V1027 V1077 M1083 V1084 A1085 D1086 | V1027-V1081 HydrophobicContact CG1-CG2 4.34Å; V1027-V1081 HydrophobicContact CG2-CG1 4.08Å; V1027-V1081 HydrophobicContact CG2-CG2 4.34Å; V1077-V1081 WeakPolarHBondContact O-CG2 3.44Å; V1077-V1081 PolarHBondContact O-N 3.5Å; V1081-M1083 VanDerWaalsContact C-N 3.3Å; V1081-M1083 PolarHBondContact O-N 3.33Å; V1081-V1084 PolarHBondContact O-N 3.44Å; V1081-A1085 HydrophobicContact CG1-CB 3.81Å; V1081-A1085 PolarHBondContact O-N 3.03Å; V1081-D1086 PolarHBondContact O-N 2.86Å |
| 1082 | K | 91.6 | Very high | 88.4 | Confident | 102 Ų | 102 | 57.4 Ų | 57.4 | 44% | 0.443 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.5 | -32.8 | 172.5 | -80.6 | 167 | -175.9 | 166.7 | 0 | 113.9 | S1024 V1078 S1079 G1080 D1086 | S1024-K1082 VanDerWaalsContact CB-CG 3.45Å; S1024-K1082 WeakPolarHBondContact OG-CE 3.24Å; S1024-K1082 VanDerWaalsContact OG-CG 3.26Å; S1024-K1082 WeakPolarHBondContact OG-CG 3.28Å; V1078-K1082 HydrophobicContact CG1-CD 4.16Å; V1078-K1082 WeakPolarHBondContact O-CB 3.2Å; V1078-K1082 WeakPolarHBondContact O-CD 3.45Å; V1078-K1082 VanDerWaalsContact O-CG 3.23Å; V1078-K1082 WeakPolarHBondContact O-CG 3.38Å; V1078-K1082 PolarHBondContact O-N 2.9Å; S1079-K1082 PolarHBondContact O-N 3.16Å; G1080-K1082 VanDerWaalsContact C-N 3.3Å; G1080-K1082 PolarHBondContact O-N 3.21Å; K1082-D1086 WeakPolarHBondContact CG-OD2 3.37Å |
| 1083 | M | 88.7 | Confident | 87 | Confident | 140 Ų | 140 | 58.4 Ų | 58.4 | 69% | 0.69 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -80.7 | -21.1 | 179.6 | -68.7 | 179.9 | 67 | 0 | 0 | 113.2 | S1079 G1080 V1081 | S1079-M1083 WeakPolarHBondContact O-CG 3.39Å; S1079-M1083 PolarHBondContact O-N 3.24Å; G1080-M1083 PolarHBondContact O-N 2.93Å; V1081-M1083 VanDerWaalsContact C-N 3.3Å; V1081-M1083 PolarHBondContact O-N 3.33Å |
| 1084 | V | 89.7 | Confident | 84.7 | Confident | 51 Ų | 51 | 56.9 Ų | 56.9 | 31% | 0.309 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -117.5 | -70 | -172.2 | -177 | 0 | 0 | 0 | 0 | 112.3 | V1017 G1080 V1081 R1087 I1088 | V1017-V1084 HydrophobicContact CG1-CB 4.4Å; V1017-V1084 HydrophobicContact CG1-CG1 4.34Å; V1017-V1084 HydrophobicContact CG1-CG2 4.07Å; G1080-V1084 PolarHBondContact O-N 3.25Å; V1081-V1084 PolarHBondContact O-N 3.44Å; V1084-R1087 PolarHBondContact O-N 2.93Å; V1084-I1088 HydrophobicContact CG1-CD1 4.04Å; V1084-I1088 VanDerWaalsContact O-CG1 3.32Å; V1084-I1088 WeakPolarHBondContact O-CG1 3.42Å; V1084-I1088 PolarHBondContact O-N 3.14Å |
| 1085 | A | 89.4 | Confident | 82 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.7 | -46.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1022 V1081 R1087 I1088 L1089 | L1022-A1085 WeakPolarHBondContact O-CB 3.3Å; V1081-A1085 HydrophobicContact CG1-CB 3.81Å; V1081-A1085 PolarHBondContact O-N 3.03Å; A1085-R1087 PolarHBondContact O-N 3.05Å; A1085-I1088 PolarHBondContact O-N 3.33Å; A1085-L1089 WeakPolarHBondContact O-CB 3.39Å; A1085-L1089 VanDerWaalsContact O-CG 3.28Å; A1085-L1089 WeakPolarHBondContact O-CG 3.32Å; A1085-L1089 PolarHBondContact O-N 2.86Å |
| 1086 | D | 91.3 | Very high | 79.4 | Confident | 20 Ų | 20 | 64.8 Ų | 64.8 | 11% | 0.107 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.2 | -36.6 | 176.3 | -76.3 | 6.4 | 0 | 0 | 0 | 111.6 | N1023 S1024 V1081 K1082 T1090 L1121 | N1023-D1086 WeakPolarHBondContact CA-OD1 3.46Å; N1023-D1086 WeakPolarHBondContact CB-OD1 3.38Å; S1024-D1086 WeakPolarHBondContact CB-OD1 3.43Å; S1024-D1086 WeakPolarHBondContact CB-OD2 3.41Å; S1024-D1086 PolarHBondContact N-OD1 2.93Å; S1024-D1086 PolarHBondContact OG-OD1 2.95Å; S1024-D1086 PolarHBondContact OG-OD2 3.19Å; V1081-D1086 PolarHBondContact O-N 2.86Å; K1082-D1086 WeakPolarHBondContact CG-OD2 3.37Å; D1086-T1090 WeakPolarHBondContact O-CB 3.43Å; D1086-T1090 WeakPolarHBondContact O-CG2 3.24Å; D1086-T1090 PolarHBondContact O-N 3.41Å; D1086-T1090 PolarHBondContact O-OG1 3.27Å; D1086-L1121 HydrophobicContact CB-CD1 3.63Å |
| 1087 | R | 87.1 | Confident | 76.5 | Confident | 146 Ų | 146 | 67 Ų | 67 | 55% | 0.551 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66 | -50.6 | 175.9 | -177.9 | 179.2 | 170.9 | -166.6 | -10.7 | 111.4 | V1084 A1085 L1089 T1090 E1091 | V1084-R1087 PolarHBondContact O-N 2.93Å; A1085-R1087 PolarHBondContact O-N 3.05Å; R1087-L1089 VanDerWaalsContact C-N 3.33Å; R1087-L1089 PolarHBondContact O-N 3.04Å; R1087-T1090 WeakPolarHBondContact CA-OG1 3.4Å; R1087-T1090 PolarHBondContact O-N 3.08Å; R1087-T1090 PolarHBondContact O-OG1 3.13Å; R1087-E1091 HydrophobicContact CG-CG 4.46Å; R1087-E1091 IonicContact CZ-OE1 3.49Å; R1087-E1091 IonicContact NE-OE1 2.76Å; R1087-E1091 PolarHBondContact NE-OE1 2.69Å; R1087-E1091 IonicContact NH2-OE1 2.92Å; R1087-E1091 PolarHBondContact NH2-OE1 2.91Å; R1087-E1091 WeakPolarHBondContact O-CG 3.42Å; R1087-E1091 PolarHBondContact O-N 2.7Å |
| 1088 | I | 87.2 | Confident | 73.5 | Confident | 47 Ų | 47 | 73.1 Ų | 73.1 | 24% | 0.241 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -57.4 | -48.3 | 177.2 | -68.4 | 162.5 | 0 | 0 | 0 | 110.1 | V1020 V1084 A1085 T1090 E1091 E1092 | V1020-I1088 HydrophobicContact CB-CD1 4.39Å; V1020-I1088 HydrophobicContact CG1-CD1 4.01Å; V1084-I1088 HydrophobicContact CG1-CD1 4.04Å; V1084-I1088 VanDerWaalsContact O-CG1 3.32Å; V1084-I1088 WeakPolarHBondContact O-CG1 3.42Å; V1084-I1088 PolarHBondContact O-N 3.14Å; A1085-I1088 PolarHBondContact O-N 3.33Å; I1088-T1090 VanDerWaalsContact C-N 3.28Å; I1088-T1090 PolarHBondContact O-N 2.92Å; I1088-E1091 PolarHBondContact O-N 3.29Å; I1088-E1092 HydrophobicContact CG2-CG 4.23Å; I1088-E1092 WeakPolarHBondContact O-CB 3.34Å; I1088-E1092 WeakPolarHBondContact O-CG 3.22Å; I1088-E1092 PolarHBondContact O-N 2.9Å |
| 1089 | L | 84.8 | Confident | 70.7 | Confident | 19 Ų | 19 | 78.8 Ų | 78.8 | 10% | 0.099 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.9 | -28.4 | -179.1 | -67.7 | 169.9 | 0 | 0 | 0 | 113.2 | N1023 A1085 R1087 N1093 L1121 | N1023-L1089 HydrophobicContact CB-CD1 3.75Å; A1085-L1089 WeakPolarHBondContact O-CB 3.39Å; A1085-L1089 VanDerWaalsContact O-CG 3.28Å; A1085-L1089 WeakPolarHBondContact O-CG 3.32Å; A1085-L1089 PolarHBondContact O-N 2.86Å; R1087-L1089 VanDerWaalsContact C-N 3.33Å; R1087-L1089 PolarHBondContact O-N 3.04Å; L1089-N1093 WeakPolarHBondContact O-CB 3.28Å; L1089-N1093 PolarHBondContact O-N 3.31Å; L1089-N1093 PolarHBondContact O-ND2 3.03Å; L1089-L1121 HydrophobicContact CB-CD2 4.22Å |
| 1090 | T | 81.9 | Confident | 67.7 | Low | 70 Ų | 70 | 83.2 Ų | 83.2 | 43% | 0.429 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -81.1 | -35.2 | 173.1 | 47.5 | 0 | 0 | 0 | 0 | 112.9 | D1086 R1087 I1088 G1094 L1121 | D1086-T1090 WeakPolarHBondContact O-CB 3.43Å; D1086-T1090 WeakPolarHBondContact O-CG2 3.24Å; D1086-T1090 PolarHBondContact O-N 3.41Å; D1086-T1090 PolarHBondContact O-OG1 3.27Å; R1087-T1090 WeakPolarHBondContact CA-OG1 3.4Å; R1087-T1090 PolarHBondContact O-N 3.08Å; R1087-T1090 PolarHBondContact O-OG1 3.13Å; I1088-T1090 VanDerWaalsContact C-N 3.28Å; I1088-T1090 PolarHBondContact O-N 2.92Å; T1090-G1094 PolarHBondContact O-N 2.95Å; T1090-L1121 HydrophobicContact CG2-CD2 4.34Å; T1090-L1121 HydrophobicContact CG2-CG 4.48Å |
| 1091 | E | 78.1 | Confident | 65 | Low | 96 Ų | 96 | 91.2 Ų | 91.2 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67 | -43.6 | 173.1 | -72.2 | 179.5 | 179.3 | 0 | 0 | 111.4 | R1087 I1088 N1093 G1094 C1095 | R1087-E1091 HydrophobicContact CG-CG 4.46Å; R1087-E1091 IonicContact CZ-OE1 3.49Å; R1087-E1091 IonicContact NE-OE1 2.76Å; R1087-E1091 PolarHBondContact NE-OE1 2.69Å; R1087-E1091 IonicContact NH2-OE1 2.92Å; R1087-E1091 PolarHBondContact NH2-OE1 2.91Å; R1087-E1091 WeakPolarHBondContact O-CG 3.42Å; R1087-E1091 PolarHBondContact O-N 2.7Å; I1088-E1091 PolarHBondContact O-N 3.29Å; E1091-N1093 PolarHBondContact O-N 2.88Å; E1091-G1094 PolarHBondContact O-N 3.39Å; E1091-C1095 PolarHBondContact O-SG 3.05Å; E1091-C1095 VanDerWaalsContact O-SG 3.36Å |
| 1092 | E | 68.4 | Low | 62.3 | Low | 77 Ų | 77 | 99.8 Ų | 99.8 | 36% | 0.36 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 175.2 | -74.3 | 179.8 | 160.2 | 0 | 0 | 112.4 | I1088 G1094 P1988 | I1088-E1092 HydrophobicContact CG2-CG 4.23Å; I1088-E1092 WeakPolarHBondContact O-CB 3.34Å; I1088-E1092 WeakPolarHBondContact O-CG 3.22Å; I1088-E1092 PolarHBondContact O-N 2.9Å; E1092-G1094 VanDerWaalsContact C-N 3.33Å; E1092-G1094 PolarHBondContact O-N 2.86Å; E1092-P1988 HydrophobicContact CG-CG 4.4Å; E1092-P1988 WeakPolarHBondContact OE1-CD 3.47Å |
| 1093 | N | 60.6 | Low | 59.6 | Low | 90 Ų | 90 | 103.8 Ų | 103.8 | 48% | 0.481 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -76.6 | -14.9 | 179.5 | -86.6 | -83.8 | 0 | 0 | 0 | 114.5 | L1089 E1091 | L1089-N1093 WeakPolarHBondContact O-CB 3.28Å; L1089-N1093 PolarHBondContact O-N 3.31Å; L1089-N1093 PolarHBondContact O-ND2 3.03Å; E1091-N1093 PolarHBondContact O-N 2.88Å |
| 1094 | G | 43.6 | Very low | 57 | Low | 52 Ų | 52 | 104 Ų | 104 | 54% | 0.536 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -83.9 | -27.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1090 E1091 E1092 H1096 | T1090-G1094 PolarHBondContact O-N 2.95Å; E1091-G1094 PolarHBondContact O-N 3.39Å; E1092-G1094 VanDerWaalsContact C-N 3.33Å; E1092-G1094 PolarHBondContact O-N 2.86Å; G1094-H1096 PolarHBondContact O-N 2.97Å |
| 1095 | C | 36.2 | Very low | 54.3 | Low | 103 Ų | 103 | 105 Ų | 105 | 70% | 0.696 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 24.9 | -166.7 | -69.4 | 0 | 0 | 0 | 0 | 116.3 | E1091 | E1091-C1095 PolarHBondContact O-SG 3.05Å; E1091-C1095 VanDerWaalsContact O-SG 3.36Å |
| 1096 | H | 36.6 | Very low | 51.7 | Low | 173 Ų | 173 | 110 Ų | 110 | 80% | 0.801 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | 5.8 | -179.1 | -98.7 | -63.3 | 0 | 0 | 0 | 115.4 | G1094 | G1094-H1096 PolarHBondContact O-N 2.97Š|
| 1097 | L | 30.1 | Very low | 49.2 | Very low | 151 Ų | 151 | 114.7 Ų | 114.7 | 79% | 0.791 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -137.5 | 73.5 | 171.2 | -74.9 | 96.3 | 0 | 0 | 0 | 112.7 | ||
| 1098 | T | 30 | Very low | 46.8 | Very low | 129 Ų | 129 | 115.6 Ų | 115.6 | 79% | 0.791 | 66% | 0.658 | S | S | * | * | trans | -149.4 | 95 | 158.3 | 52.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1099 | T | 33 | Very low | 44.4 | Very low | 123 Ų | 123 | 120.2 Ų | 120.2 | 76% | 0.755 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -132 | 95.8 | 155.4 | 46.8 | 0 | 0 | 0 | 0 | 108.4 | ||
| 1100 | N | 31.2 | Very low | 42 | Very low | 154 Ų | 154 | 125.5 Ų | 125.5 | 82% | 0.824 | 72% | 0.719 | S | S | * | * | trans | 32.2 | 98.2 | 158.5 | -51 | -16.7 | 0 | 0 | 0 | 118.2 | ||||
| 1101 | D | 34.2 | Very low | 39.6 | Very low | 170 Ų | 170 | 128.1 Ų | 128.1 | 91% | 0.909 | 74% | 0.735 | S | S | * | * | trans | -147.2 | 107 | 136.7 | -93.2 | -38.5 | 0 | 0 | 0 | 108.1 | ||||
| 1102 | E | 34.7 | Very low | 37.5 | Very low | 180 Ų | 180 | 133 Ų | 133 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | trans | -124.4 | 161.6 | 167.9 | -79.7 | -166.2 | 143.4 | 0 | 0 | 108.2 | ||||
| 1103 | F | 35 | Very low | 35.8 | Very low | 186 Ų | 186 | 134.9 Ų | 134.9 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | trans | 72.9 | 132.4 | -174.2 | -83.1 | -110.3 | 0 | 0 | 0 | 115 | ||||
| 1104 | D | 33.5 | Very low | 34.5 | Very low | 145 Ų | 145 | 135.5 Ų | 135.5 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | cis | -158.1 | 164.5 | -2.7 | -156.3 | -3.7 | 0 | 0 | 0 | 111.5 | ||||
| 1105 | G | 34.3 | Very low | 33.9 | Very low | 73 Ų | 73 | 138.7 Ų | 138.7 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | 129.8 | 99 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1106 | A | 34.7 | Very low | 33.8 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 88% | 0.884 | 81% | 0.808 | S | S | * | * | trans | -96 | 143.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1107 | S | 38.6 | Very low | 33.7 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -151.1 | 123.1 | 155.6 | -164.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1108 | E | 36.8 | Very low | 34.1 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 77% | 0.771 | 81% | 0.807 | S | S | * | * | trans | -25.5 | 127.5 | 170.7 | -57 | 167.2 | 165.5 | 0 | 0 | 118.4 | ||||
| 1109 | N | 35.1 | Very low | 35.2 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | 163.3 | 116 | 110.5 | -89.5 | -70.1 | 0 | 0 | 0 | 112.9 | |||||
| 1110 | P | 34.6 | Very low | 36.5 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -99 | 92.2 | -170.2 | 36.4 | -34.1 | 0 | 0 | 0 | 115 | ||||
| 1111 | T | 33.1 | Very low | 38.9 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -142.2 | 126.4 | 159.6 | 48.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1112 | K | 33.9 | Very low | 41.3 | Very low | 198 Ų | 198 | 129.2 Ų | 129.2 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | trans | 48 | 93.3 | 151.8 | -58.4 | 174.8 | -178.9 | 173.3 | 0 | 119.1 | ||||
| 1113 | S | 32.5 | Very low | 43.8 | Very low | 117 Ų | 117 | 121.6 Ų | 121.6 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | -175.2 | 146.7 | 125.5 | 37.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1114 | S | 33.3 | Very low | 46.2 | Very low | 102 Ų | 102 | 113 Ų | 113 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | trans | 31.1 | 91.8 | 153.8 | 52.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1115 | S | 29.6 | Very low | 48.8 | Very low | 119 Ų | 119 | 107 Ų | 107 | 83% | 0.832 | 64% | 0.644 | S | S | * | * | 39.7 | 113.6 | 117.3 | 62.4 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1116 | S | 35.7 | Very low | 51.4 | Low | 120 Ų | 120 | 106.5 Ų | 106.5 | 84% | 0.839 | 63% | 0.629 | S | S | * | * | trans | -128.8 | 82.5 | 165.6 | 60 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1117 | S | 34.4 | Very low | 54.1 | Low | 107 Ų | 107 | 103 Ų | 103 | 75% | 0.748 | 60% | 0.595 | S | S | * | * | trans | 49.6 | 73.1 | 154.8 | -173.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1118 | S | 39 | Very low | 56.3 | Low | 117 Ų | 117 | 102.5 Ų | 102.5 | 82% | 0.818 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 121.3 | 142.7 | 56.6 | 0 | 0 | 0 | 0 | 108.9 | H1120 | S1118-H1120 PolarHBondContact O-N 3.26Š|
| 1119 | R | 52.1 | Low | 58.7 | Low | 172 Ų | 172 | 96.3 Ų | 96.3 | 65% | 0.649 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 130.6 | 179 | -71.3 | -174 | -174.7 | 156.6 | 5.3 | 110.4 | ||
| 1120 | H | 61.3 | Low | 61 | Low | 132 Ų | 132 | 100.7 Ų | 100.7 | 61% | 0.611 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -80 | 137.4 | -177.9 | -159.2 | -50.6 | 0 | 0 | 0 | 110.5 | R1025 S1118 E1122 | R1025-H1120 PolarHBondContact NH1-CE1 3.1Å; R1025-H1120 PolarHBondContact NH1-ND1 3.36Å; R1025-H1120 PolarHBondContact NH2-CE1 2.9Å; S1118-H1120 PolarHBondContact O-N 3.26Å; H1120-E1122 PolarHBondContact O-N 3.49Å |
| 1121 | L | 80.9 | Confident | 63.2 | Low | 38 Ų | 38 | 97.1 Ų | 97.1 | 20% | 0.199 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -65 | 118.7 | 170.5 | -66.8 | 169.6 | 0 | 0 | 0 | 110.3 | N1023 R1025 D1086 L1089 T1090 | N1023-L1121 HydrophobicContact CB-CD2 4.45Å; R1025-L1121 WeakPolarHBondContact CD-O 3.28Å; R1025-L1121 PolarHBondContact NH1-O 3.42Å; D1086-L1121 HydrophobicContact CB-CD1 3.63Å; L1089-L1121 HydrophobicContact CB-CD2 4.22Å; T1090-L1121 HydrophobicContact CG2-CD2 4.34Å; T1090-L1121 HydrophobicContact CG2-CG 4.48Å |
| 1122 | E | 83.8 | Confident | 65.7 | Low | 119 Ų | 119 | 95.6 Ų | 95.6 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -85 | 160.7 | -177.5 | -62.5 | -174.5 | 165.3 | 0 | 0 | 111.9 | N1023 H1120 | N1023-E1122 PolarHBondContact ND2-O 2.98Å; H1120-E1122 PolarHBondContact O-N 3.49Å |
| 1123 | V | 87.6 | Confident | 68.3 | Low | 20 Ų | 20 | 88.4 Ų | 88.4 | 12% | 0.121 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -87.2 | -55.4 | 179.2 | 168.1 | 0 | 0 | 0 | 0 | 110.5 | I943 Y945 L952 R1025 Q1026 I1029 | I943-V1123 HydrophobicContact CG2-CG1 4.31Å; Y945-V1123 HydrophobicContact CD2-CB 4.02Å; Y945-V1123 HydrophobicContact CD2-CG1 3.64Å; Y945-V1123 HydrophobicContact CE2-CB 3.74Å; Y945-V1123 HydrophobicContact CE2-CG1 3.9Å; L952-V1123 HydrophobicContact CD1-CG1 4.41Å; L952-V1123 HydrophobicContact CD2-CG1 3.96Å; L952-V1123 HydrophobicContact CG-CG1 4.36Å; R1025-V1123 HydrophobicContact CB-CG2 4.19Å; Q1026-V1123 WeakPolarHBondContact CG-O 3.31Å; Q1026-V1123 PolarHBondContact NE2-O 3.15Å; I1029-V1123 HydrophobicContact CD1-CB 4.29Å; I1029-V1123 HydrophobicContact CD1-CG1 3.39Å; I1029-V1123 HydrophobicContact CD1-CG2 3.89Å |
| 1124 | G | 85.8 | Confident | 71.1 | Confident | 5 Ų | 5 | 85.4 Ų | 85.4 | 5% | 0.052 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -68.5 | 171.1 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | N940 | N940-G1124 WeakPolarHBondContact OD1-CA 3.4Š|
| 1125 | E | 88.7 | Confident | 73.9 | Confident | 19 Ų | 19 | 83.9 Ų | 83.9 | 9% | 0.089 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -100.5 | 140 | 165 | -176.4 | 156.7 | -133.6 | 0 | 0 | 110 | N935 A936 F939 N940 R994 | N935-E1125 VanDerWaalsContact ND2-CD 3.26Å; N935-E1125 PolarHBondContact ND2-OE1 2.88Å; N935-E1125 PolarHBondContact ND2-OE2 3.01Å; A936-E1125 HydrophobicContact CB-CB 4.08Å; A936-E1125 HydrophobicContact CB-CG 3.87Å; F939-E1125 HydrophobicContact CD1-CB 3.93Å; F939-E1125 HydrophobicContact CE1-CB 4.45Å; N940-E1125 PolarHBondContact ND2-O 2.85Å; N940-E1125 PolarHBondContact OD1-N 3.21Å; R994-E1125 WeakPolarHBondContact CD-OE2 3.35Å; R994-E1125 IonicContact CZ-OE1 2.92Å; R994-E1125 VanDerWaalsContact CZ-OE1 3.3Å; R994-E1125 IonicContact NE-OE1 3.69Å; R994-E1125 PolarHBondContact NE-OE1 3.27Å; R994-E1125 IonicContact NE-OE2 2.65Å; R994-E1125 PolarHBondContact NE-OE2 2.88Å; R994-E1125 VanDerWaalsContact NE-OE2 3.08Å; R994-E1125 IonicContact NH2-OE1 3.07Å; R994-E1125 PolarHBondContact NH2-OE1 3.09Å |
| 1126 | S | 88.4 | Confident | 76.8 | Confident | 62 Ų | 62 | 78.6 Ų | 78.6 | 43% | 0.434 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 136.9 | 175.5 | 53.9 | 0 | 0 | 0 | 0 | 110.9 | H932 A936 D1128 | H932-S1126 PolarHBondContact NE2-O 3.21Å; A936-S1126 VanDerWaalsContact CB-O 3.29Å; A936-S1126 WeakPolarHBondContact CB-O 3.49Å; S1126-D1128 VanDerWaalsContact C-N 3.27Å; S1126-D1128 PolarHBondContact O-N 3.2Å |
| 1127 | L | 90.4 | Very high | 78.9 | Confident | 33 Ų | 33 | 78.7 Ų | 78.7 | 17% | 0.173 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -76.9 | -14.1 | 177.8 | -60.2 | -179 | 0 | 0 | 0 | 113.4 | R933 A936 R937 C947 | R933-L1127 WeakPolarHBondContact CD-O 3.34Å; R933-L1127 PolarHBondContact NH1-O 2.72Å; A936-L1127 HydrophobicContact CB-CD2 3.98Å; R937-L1127 HydrophobicContact CG-CD2 4.12Å; C947-L1127 HydrophobicContact CB-CD1 4.05Å; C947-L1127 HydrophobicContact CB-CG 4.46Å |
| 1128 | D | 85.5 | Confident | 81.1 | Confident | 108 Ų | 108 | 77 Ų | 77 | 58% | 0.578 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -118.7 | 124 | -171.5 | -53.4 | -36.2 | 0 | 0 | 0 | 111.5 | R933 S1126 R1130 | R933-D1128 IonicContact NH1-OD1 2.97Å; R933-D1128 PolarHBondContact NH1-OD1 2.88Å; S1126-D1128 VanDerWaalsContact C-N 3.27Å; S1126-D1128 PolarHBondContact O-N 3.2Å; D1128-R1130 PolarHBondContact O-N 2.92Å |
| 1129 | L | 87.9 | Confident | 83.2 | Confident | 35 Ų | 35 | 75.2 Ų | 75.2 | 18% | 0.183 | 37% | 0.373 | C | S | . | . | trans | -83.1 | 110.4 | -177.5 | -176.4 | 58 | 0 | 0 | 0 | 111.2 | A928 H932 Y991 L1131 | A928-L1129 HydrophobicContact CB-CD2 3.88Å; H932-L1129 HydrophobicContact CB-CB 4.2Å; H932-L1129 HydrophobicContact CB-CD1 4.37Å; H932-L1129 HydrophobicContact CB-CD2 4.01Å; H932-L1129 HydrophobicContact CB-CG 4.43Å; Y991-L1129 HydrophobicContact CD1-CD2 4.38Å; Y991-L1129 HydrophobicContact CE1-CD1 4.44Å; Y991-L1129 HydrophobicContact CE1-CD2 3.96Å; L1129-L1131 VanDerWaalsContact C-N 3.33Å; L1129-L1131 HydrophobicContact CD1-CD1 4.46Å; L1129-L1131 HydrophobicContact CD1-CG 4.2Å; L1129-L1131 HydrophobicContact CD2-CD1 3.66Å; L1129-L1131 HydrophobicContact CD2-CG 4.14Å; L1129-L1131 HydrophobicContact CG-CD1 3.99Å; L1129-L1131 HydrophobicContact CG-CG 3.89Å; L1129-L1131 PolarHBondContact O-N 3.02Å | ||
| 1130 | R | 82.2 | Confident | 85 | Confident | 237 Ų | 237 | 67.5 Ų | 67.5 | 89% | 0.894 | 34% | 0.343 | S | S | * | . | trans | -85.1 | 66.8 | -179.7 | -61.2 | -173.6 | -174.5 | -174.2 | 2.5 | 112.7 | D1128 | D1128-R1130 PolarHBondContact O-N 2.92Š| ||
| 1131 | L | 80.9 | Confident | 86.1 | Confident | 54 Ų | 54 | 62.5 Ų | 62.5 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -96.3 | 145.1 | 169.6 | -73.9 | 177 | 0 | 0 | 0 | 111.5 | A928 L1129 V1984 | A928-L1131 HydrophobicContact CB-CD1 4.32Å; L1129-L1131 VanDerWaalsContact C-N 3.33Å; L1129-L1131 HydrophobicContact CD1-CD1 4.46Å; L1129-L1131 HydrophobicContact CD1-CG 4.2Å; L1129-L1131 HydrophobicContact CD2-CD1 3.66Å; L1129-L1131 HydrophobicContact CD2-CG 4.14Å; L1129-L1131 HydrophobicContact CG-CD1 3.99Å; L1129-L1131 HydrophobicContact CG-CG 3.89Å; L1129-L1131 PolarHBondContact O-N 3.02Å; L1131-V1984 HydrophobicContact CD1-CG1 4.05Å; L1131-V1984 HydrophobicContact CD2-CG1 3.7Å; L1131-V1984 HydrophobicContact CG-CG1 4.49Å |
| 1132 | P | 85.7 | Confident | 86.3 | Confident | 93 Ų | 93 | 60.7 Ų | 60.7 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 139.1 | 167.5 | 30 | -33.8 | 0 | 0 | 0 | 110 | ||
| 1133 | F | 89 | Confident | 86.1 | Confident | 47 Ų | 47 | 56.3 Ų | 56.3 | 21% | 0.206 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 130.1 | 171.7 | 174.7 | -105.9 | 0 | 0 | 0 | 110.1 | V799 Q800 F803 F922 L1135 | V799-F1133 HydrophobicContact CG1-CZ 4.17Å; Q800-F1133 HydrophobicContact CB-CD1 3.74Å; Q800-F1133 HydrophobicContact CB-CE1 3.57Å; Q800-F1133 HydrophobicContact CB-CG 4.45Å; Q800-F1133 HydrophobicContact CB-CZ 4.18Å; Q800-F1133 HydrophobicContact CG-CB 4.36Å; Q800-F1133 HydrophobicContact CG-CD1 3.59Å; Q800-F1133 HydrophobicContact CG-CE1 3.97Å; Q800-F1133 HydrophobicContact CG-CG 3.92Å; F803-F1133 HydrophobicContact CB-CD2 4.3Å; F803-F1133 HydrophobicContact CB-CE2 3.58Å; F803-F1133 HydrophobicContact CB-CZ 4.21Å; F803-F1133 AromaticContact CD1-CD2 3.66Å; F803-F1133 HydrophobicContact CD1-CD2 3.66Å; F803-F1133 AromaticContact CD1-CE2 3.74Å; F803-F1133 HydrophobicContact CD1-CE2 3.74Å; F803-F1133 HydrophobicContact CD2-CE2 4.09Å; F803-F1133 HydrophobicContact CE1-CD2 4.18Å; F803-F1133 HydrophobicContact CE1-CE2 4.5Å; F803-F1133 AromaticContact CG-CD2 3.96Å; F803-F1133 HydrophobicContact CG-CD2 3.96Å; F803-F1133 AromaticContact CG-CE2 3.51Å; F803-F1133 HydrophobicContact CG-CE2 3.51Å; F922-F1133 HydrophobicContact CD1-CE2 4.07Å; F922-F1133 HydrophobicContact CD1-CZ 4.41Å; F922-F1133 AromaticContact CE1-CE2 3.65Å; F922-F1133 HydrophobicContact CE1-CE2 3.65Å; F922-F1133 AromaticContact CE1-CZ 3.56Å; F922-F1133 HydrophobicContact CE1-CZ 3.56Å; F922-F1133 HydrophobicContact CZ-CZ 4.3Å; F1133-L1135 HydrophobicContact CE1-CD2 3.7Å; F1133-L1135 HydrophobicContact CE1-CG 4.05Å; F1133-L1135 HydrophobicContact CZ-CD2 4Å |
| 1134 | L | 91 | Very high | 85.4 | Confident | 54 Ų | 54 | 58.9 Ų | 58.9 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | trans | -118.1 | 126.3 | -179.2 | -60.5 | 179.5 | 0 | 0 | 0 | 111 | Q925 V1984 | Q925-L1134 PolarHBondContact NE2-O 3.24Å; L1134-V1984 HydrophobicContact CD1-CG2 3.88Å | ||
| 1135 | L | 91.5 | Very high | 84.1 | Confident | 71 Ų | 71 | 61.5 Ų | 61.5 | 37% | 0.372 | 32% | 0.323 | S | S | . | . | trans | -75.7 | 134.2 | 168.8 | -71.2 | 173.3 | 0 | 0 | 0 | 110.1 | L741 A796 V799 F922 F1133 | L741-L1135 HydrophobicContact CD2-CD1 4.15Å; L741-L1135 HydrophobicContact CD2-CD2 4.3Å; A796-L1135 HydrophobicContact CB-CD1 4.07Å; V799-L1135 HydrophobicContact CB-CD2 4.34Å; V799-L1135 HydrophobicContact CG1-CD2 3.64Å; F922-L1135 HydrophobicContact CZ-CD2 4.33Å; F1133-L1135 HydrophobicContact CE1-CD2 3.7Å; F1133-L1135 HydrophobicContact CE1-CG 4.05Å; F1133-L1135 HydrophobicContact CZ-CD2 4Å | ||
| 1136 | P | 90.2 | Very high | 82.7 | Confident | 8 Ų | 8 | 61 Ų | 61 | 5% | 0.052 | 32% | 0.321 | C | S | . | . | trans | -71.2 | 132.2 | 173.5 | -15.2 | 28.4 | 0 | 0 | 0 | 111.7 | N919 A921 F922 Y1140 F1982 | N919-P1136 HydrophobicContact CB-CG 4.12Å; N919-P1136 WeakPolarHBondContact ND2-CB 3.36Å; A921-P1136 HydrophobicContact CB-CB 4.11Å; A921-P1136 HydrophobicContact CB-CG 3.92Å; F922-P1136 HydrophobicContact CD1-CG 4.37Å; F922-P1136 HydrophobicContact CD2-CG 4.12Å; F922-P1136 HydrophobicContact CE1-CG 4.04Å; F922-P1136 HydrophobicContact CE2-CG 3.78Å; F922-P1136 HydrophobicContact CG-CG 4.41Å; F922-P1136 HydrophobicContact CZ-CG 3.75Å; P1136-Y1140 HydrophobicContact CB-CE2 4.22Å; P1136-Y1140 WeakPolarHBondContact CD-OH 3.4Å; P1136-Y1140 VanDerWaalsContact O-CE2 3.27Å; P1136-Y1140 WeakPolarHBondContact O-CE2 3.35Å; P1136-Y1140 PolarHBondContact O-OH 3.06Å; P1136-F1982 HydrophobicContact CB-CZ 3.98Å | ||
| 1137 | E | 81.1 | Confident | 80.7 | Confident | 121 Ų | 121 | 61.1 Ų | 61.1 | 57% | 0.565 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -78.2 | -42.8 | 167.4 | -68.9 | -176.5 | -152.6 | 0 | 0 | 112 | K1251 | E1137-K1251 IonicContact OE2-NZ 2.77Å; E1137-K1251 PolarHBondContact OE2-NZ 2.82Å |
| 1138 | D | 81 | Confident | 78.7 | Confident | 73 Ų | 73 | 61.9 Ų | 61.9 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -112.6 | 172.5 | -169 | -81.9 | -46.6 | 0 | 0 | 0 | 113.1 | N919 | N919-D1138 PolarHBondContact ND2-O 3.42Š|
| 1139 | C | 82.9 | Confident | 76.8 | Confident | 79 Ų | 79 | 61.7 Ų | 61.7 | 53% | 0.534 | 33% | 0.331 | S | S | . | . | trans | 69.6 | 33.4 | 169.9 | -58.9 | 0 | 0 | 0 | 0 | 116.2 | N919 | N919-C1139 PolarHBondContact ND2-O 2.68Š| ||
| 1140 | Y | 88.9 | Confident | 74.2 | Confident | 9 Ų | 9 | 66.3 Ų | 66.3 | 4% | 0.035 | 36% | 0.356 | C | S | . | . | trans | -81.3 | 142.3 | 169.5 | -68.2 | -89.3 | 0 | 0 | 0 | 111.6 | H742 N919 P1136 S1142 D1143 | H742-Y1140 HydrophobicContact CB-CD1 4.04Å; H742-Y1140 HydrophobicContact CB-CD2 3.82Å; H742-Y1140 HydrophobicContact CB-CE1 4.05Å; H742-Y1140 HydrophobicContact CB-CE2 3.81Å; H742-Y1140 HydrophobicContact CB-CG 3.92Å; H742-Y1140 VanDerWaalsContact CD2-CB 3.46Å; H742-Y1140 WeakPolarHBondContact CD2-CB 3.43Å; H742-Y1140 AromaticContact CD2-CD2 3.43Å; H742-Y1140 VanDerWaalsContact CD2-CD2 3.43Å; H742-Y1140 WeakPolarHBondContact CD2-CD2 3.23Å; H742-Y1140 AromaticContact CD2-CG 3.49Å; H742-Y1140 VanDerWaalsContact CD2-CG 3.49Å; H742-Y1140 AromaticContact CE1-CD2 3.54Å; H742-Y1140 AromaticContact CG-CD2 3.32Å; H742-Y1140 AromaticContact CG-CE2 3.67Å; H742-Y1140 AromaticContact CG-CG 3.67Å; H742-Y1140 AromaticContact ND1-CD2 3.46Å; H742-Y1140 WeakPolarHBondContact ND1-CD2 3.45Å; H742-Y1140 AromaticContact ND1-CE2 3.62Å; H742-Y1140 AromaticContact NE2-CD2 3.55Å; H742-Y1140 AromaticContact NE2-CG 3.94Å; N919-Y1140 HydrophobicContact CB-CE1 4.44Å; P1136-Y1140 HydrophobicContact CB-CE2 4.22Å; P1136-Y1140 WeakPolarHBondContact CD-OH 3.4Å; P1136-Y1140 VanDerWaalsContact O-CE2 3.27Å; P1136-Y1140 WeakPolarHBondContact O-CE2 3.35Å; P1136-Y1140 PolarHBondContact O-OH 3.06Å; Y1140-S1142 WeakPolarHBondContact CB-OG 3.42Å; Y1140-S1142 PolarHBondContact O-N 3.23Å; Y1140-D1143 PolarHBondContact N-OD2 2.65Å; Y1140-D1143 WeakPolarHBondContact O-CB 3.49Å; Y1140-D1143 PolarHBondContact O-N 3.45Å | ||
| 1141 | P | 85.3 | Confident | 71.7 | Confident | 27 Ų | 27 | 61.9 Ų | 61.9 | 18% | 0.175 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -57.3 | -20.4 | 177.8 | -30.9 | 38.9 | 0 | 0 | 0 | 115.8 | L597 D1143 I1191 | L597-P1141 HydrophobicContact CD1-CB 3.78Å; L597-P1141 HydrophobicContact CD1-CG 3.77Å; P1141-D1143 PolarHBondContact O-N 3.27Å; P1141-I1191 HydrophobicContact CB-CD1 3.94Å; P1141-I1191 HydrophobicContact CB-CG1 4.32Å |
| 1142 | S | 83.5 | Confident | 69.3 | Low | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -60.2 | -24.7 | 168.9 | 50.2 | 0 | 0 | 0 | 0 | 115 | Q739 H742 Y1140 W1242 | Q739-S1142 PolarHBondContact NE2-OG 3.4Å; Q739-S1142 VanDerWaalsContact OE1-N 3.14Å; H742-S1142 PolarHBondContact CD2-OG 3.16Å; Y1140-S1142 WeakPolarHBondContact CB-OG 3.42Å; Y1140-S1142 PolarHBondContact O-N 3.23Å; S1142-W1242 WeakPolarHBondContact O-CB 3.27Å |
| 1143 | D | 81.3 | Confident | 66.6 | Low | 27 Ų | 27 | 68.8 Ų | 68.8 | 14% | 0.144 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -89.2 | -16.4 | -166.8 | -50.8 | -21.3 | 0 | 0 | 0 | 111.3 | H742 Y1140 P1141 N1243 I1248 | H742-D1143 IonicContact CD2-OD1 2.77Å; H742-D1143 IonicContact CD2-OD2 3.85Å; H742-D1143 IonicContact CE1-OD2 3.63Å; H742-D1143 VanDerWaalsContact NE2-CG 3.33Å; H742-D1143 IonicContact NE2-OD1 3.53Å; H742-D1143 PolarHBondContact NE2-OD1 3.47Å; H742-D1143 IonicContact NE2-OD2 2.69Å; H742-D1143 PolarHBondContact NE2-OD2 2.97Å; Y1140-D1143 PolarHBondContact N-OD2 2.65Å; Y1140-D1143 WeakPolarHBondContact O-CB 3.49Å; Y1140-D1143 PolarHBondContact O-N 3.45Å; P1141-D1143 PolarHBondContact O-N 3.27Å; D1143-N1243 PolarHBondContact O-ND2 3.01Å; D1143-N1243 VanDerWaalsContact O-ND2 3.14Å; D1143-I1248 HydrophobicContact CB-CD1 3.87Å |
| 1144 | N | 71.1 | Confident | 63.9 | Low | 74 Ų | 74 | 74.4 Ų | 74.4 | 40% | 0.396 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -79.7 | 138.1 | 179.1 | -72.5 | -38.2 | 0 | 0 | 0 | 112 | ||
| 1145 | P | 59.7 | Low | 60.9 | Low | 60 Ų | 60 | 80.2 Ų | 80.2 | 39% | 0.39 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 141.4 | 176.3 | 30.1 | -34.7 | 0 | 0 | 0 | 111.7 | F1239 | P1145-F1239 HydrophobicContact CB-CB 4.38Å; P1145-F1239 HydrophobicContact CB-CD1 4.32Å |
| 1146 | V | 58.2 | Low | 57.8 | Low | 8 Ų | 8 | 83.7 Ų | 83.7 | 5% | 0.048 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 123.4 | -180 | -172.4 | 0 | 0 | 0 | 0 | 110 | I1191 T1192 L1240 W1242 | V1146-I1191 WeakPolarHBondContact CG2-O 3.25Å; V1146-T1192 HydrophobicContact CG1-CG2 4.24Å; V1146-L1240 HydrophobicContact CB-CB 4.2Å; V1146-L1240 PolarHBondContact N-O 3.18Å; V1146-L1240 PolarHBondContact O-N 3.4Å; V1146-L1240 VanDerWaalsContact O-N 3.16Å; V1146-W1242 VanDerWaalsContact CG2-NE1 3.33Å |
| 1147 | P | 46.5 | Very low | 55.1 | Low | 65 Ų | 65 | 92.3 Ų | 92.3 | 42% | 0.422 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 138.1 | 175.2 | 28.8 | -33.8 | 0 | 0 | 0 | 111.4 | ||
| 1148 | I | 49.5 | Very low | 52.5 | Low | 49 Ų | 49 | 91.2 Ų | 91.2 | 25% | 0.251 | 51% | 0.509 | S | S | . | . | trans | -87.3 | 111.5 | 177.5 | -54.3 | -178 | 0 | 0 | 0 | 109.9 | N1150 Q1238 L1240 | I1148-N1150 WeakPolarHBondContact CG2-OD1 3.47Å; I1148-N1150 PolarHBondContact O-N 3.34Å; I1148-Q1238 HydrophobicContact CD1-CB 4.27Å; I1148-Q1238 WeakPolarHBondContact CD1-O 3.27Å; I1148-L1240 HydrophobicContact CD1-CG 4.13Å; I1148-L1240 HydrophobicContact CG1-CD1 4.36Å; I1148-L1240 HydrophobicContact CG1-CG 4.12Å | ||
| 1149 | S | 45.5 | Very low | 49.8 | Very low | 104 Ų | 104 | 94.7 Ų | 94.7 | 73% | 0.727 | 53% | 0.527 | S | S | * | . | trans | -82.8 | 89.1 | 175.9 | 57.2 | 0 | 0 | 0 | 0 | 112 | N1151 | S1149-N1151 VanDerWaalsContact C-N 3.31Å; S1149-N1151 PolarHBondContact O-N 3.01Å | ||
| 1150 | N | 32.4 | Very low | 47 | Very low | 133 Ų | 133 | 97.4 Ų | 97.4 | 71% | 0.711 | 53% | 0.534 | S | S | * | . | trans | -76.7 | 70.4 | 176.7 | -78.1 | -8.9 | 0 | 0 | 0 | 112.7 | I1148 | I1148-N1150 WeakPolarHBondContact CG2-OD1 3.47Å; I1148-N1150 PolarHBondContact O-N 3.34Å | ||
| 1151 | N | 31.3 | Very low | 44.1 | Very low | 144 Ų | 144 | 102.1 Ų | 102.1 | 77% | 0.77 | 57% | 0.569 | S | S | * | * | trans | -124.2 | 78.4 | 179.5 | -83.1 | -14.7 | 0 | 0 | 0 | 113 | S1149 | S1149-N1151 VanDerWaalsContact C-N 3.31Å; S1149-N1151 PolarHBondContact O-N 3.01Å | ||
| 1152 | H | 29.9 | Very low | 41.4 | Very low | 203 Ų | 203 | 107.9 Ų | 107.9 | 94% | 0.94 | 59% | 0.588 | S | S | * | * | trans | -151 | 68.1 | 164.3 | -89 | -51.1 | 0 | 0 | 0 | 111.8 | ||||
| 1153 | A | 29.3 | Very low | 38.9 | Very low | 89 Ų | 89 | 113.1 Ų | 113.1 | 74% | 0.736 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -170.4 | 136.3 | 152.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1154 | N | 31.7 | Very low | 36.5 | Very low | 164 Ų | 164 | 115.1 Ų | 115.1 | 88% | 0.877 | 62% | 0.623 | S | S | * | * | trans | 78.4 | 134.2 | 171.1 | -56.4 | -14.1 | 0 | 0 | 0 | 118.1 | ||||
| 1155 | H | 27.5 | Very low | 34.6 | Very low | 177 Ų | 177 | 115.6 Ų | 115.6 | 82% | 0.819 | 63% | 0.626 | S | S | * | * | trans | -94.8 | 163.1 | 176.9 | -85 | -103.7 | 0 | 0 | 0 | 111.4 | ||||
| 1156 | N | 27.1 | Very low | 32.9 | Very low | 143 Ų | 143 | 118.4 Ų | 118.4 | 77% | 0.765 | 65% | 0.647 | S | S | * | * | trans | 64 | 93.2 | 161.8 | -52.6 | -15.9 | 0 | 0 | 0 | 116.4 | ||||
| 1157 | E | 32.8 | Very low | 31.4 | Very low | 190 Ų | 190 | 120 Ų | 120 | 89% | 0.888 | 66% | 0.664 | S | S | * | * | -171.8 | 162.4 | 104.9 | -101 | 174.1 | -169.4 | 0 | 0 | 113.2 | |||||
| 1158 | S | 26.5 | Very low | 30.5 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | trans | -44 | 156.3 | 170.9 | 48 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1159 | I | 25.1 | Very low | 29.5 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | cis | -173.3 | 148 | -6 | -115.6 | 161.1 | 0 | 0 | 0 | 109 | ||||
| 1160 | I | 25.1 | Very low | 28.6 | Very low | 135 Ų | 135 | 125.4 Ų | 125.4 | 69% | 0.692 | 68% | 0.678 | S | S | * | * | trans | 46.4 | 116.1 | 157.4 | -58.5 | 168.2 | 0 | 0 | 0 | 120.9 | Y1162 | I1160-Y1162 HydrophobicContact CG2-CD2 4.05Å; I1160-Y1162 HydrophobicContact CG2-CE2 4.23Å | ||
| 1161 | S | 27.2 | Very low | 28.7 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | 161.5 | 116.1 | 126.2 | 41.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1162 | Y | 27.5 | Very low | 28.7 | Very low | 147 Ų | 147 | 121.5 Ų | 121.5 | 58% | 0.576 | 66% | 0.657 | S | S | * | * | 75.1 | 101 | 74.3 | -76.3 | -56.6 | 0 | 0 | 0 | 113.6 | Q79 I1160 | Q79-Y1162 PolarHBondContact NE2-O 3.4Å; I1160-Y1162 HydrophobicContact CG2-CD2 4.05Å; I1160-Y1162 HydrophobicContact CG2-CE2 4.23Å | |||
| 1163 | E | 31.4 | Very low | 28.5 | Very low | 111 Ų | 111 | 119.3 Ų | 119.3 | 52% | 0.519 | 65% | 0.652 | S | S | . | * | 92 | 109.3 | 91.3 | -104.8 | 173.3 | -162 | 0 | 0 | 111.8 | Q79 K1176 | Q79-E1163 PolarHBondContact NE2-O 2.88Å; E1163-K1176 IonicContact OE1-NZ 3.39Å; E1163-K1176 IonicContact OE2-NZ 3.47Å; E1163-K1176 PolarHBondContact OE2-NZ 3.46Å; E1163-K1176 VanDerWaalsContact OE2-NZ 3.1Å | |||
| 1164 | D | 32.2 | Very low | 28.7 | Very low | 69 Ų | 69 | 120 Ų | 120 | 37% | 0.369 | 65% | 0.651 | S | S | . | * | trans | 146.8 | 155.7 | 138.4 | -83.3 | 4.1 | 0 | 0 | 0 | 115.5 | ||||
| 1165 | D | 29.9 | Very low | 28.6 | Very low | 84 Ų | 84 | 120.9 Ų | 120.9 | 45% | 0.449 | 65% | 0.648 | S | S | . | * | cis | -172.1 | 117.8 | -43.8 | 176.8 | 27.7 | 0 | 0 | 0 | 108.1 | C77 | C77-D1165 PolarHBondContact SG-N 3.45Å; C77-D1165 VanDerWaalsContact SG-N 3.39Å; C77-D1165 PolarHBondContact SG-O 3.49Å | ||
| 1166 | S | 24 | Very low | 28.6 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 83% | 0.832 | 64% | 0.636 | S | S | * | * | trans | -154.1 | 72.4 | 179.3 | 72.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1167 | G | 26.8 | Very low | 28.7 | Very low | 40 Ų | 40 | 120.7 Ų | 120.7 | 41% | 0.412 | 64% | 0.64 | S | S | . | * | S | Bend | trans | 163.1 | 68.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y1169 | G1167-Y1169 WeakPolarHBondContact O-CD2 3.44Å; G1167-Y1169 WeakPolarHBondContact O-CE2 3.46Å; G1167-Y1169 PolarHBondContact O-N 2.92Å |
| 1168 | I | 27.8 | Very low | 28.5 | Very low | 157 Ų | 157 | 120.7 Ų | 120.7 | 81% | 0.805 | 64% | 0.64 | S | S | * | * | trans | 48.6 | 58.3 | 161.4 | -40.5 | -179.3 | 0 | 0 | 0 | 114.1 | ||||
| 1169 | Y | 28.6 | Very low | 28.7 | Very low | 113 Ų | 113 | 123.1 Ų | 123.1 | 44% | 0.443 | 65% | 0.645 | S | S | . | * | trans | -95.1 | 105.7 | 170.1 | -74.3 | -72 | 0 | 0 | 0 | 111.7 | G1167 Q1171 F1190 | G1167-Y1169 WeakPolarHBondContact O-CD2 3.44Å; G1167-Y1169 WeakPolarHBondContact O-CE2 3.46Å; G1167-Y1169 PolarHBondContact O-N 2.92Å; Y1169-Q1171 PolarHBondContact O-N 2.72Å; Y1169-F1190 HydrophobicContact CE2-CZ 4.38Å; Y1169-F1190 WeakPolarHBondContact OH-CE1 3.25Å; Y1169-F1190 VanDerWaalsContact OH-CZ 3.25Å; Y1169-F1190 WeakPolarHBondContact OH-CZ 3.38Å | ||
| 1170 | S | 27.7 | Very low | 28.7 | Very low | 62 Ų | 62 | 121.8 Ų | 121.8 | 43% | 0.434 | 65% | 0.648 | S | S | . | * | trans | -78.5 | 59.7 | 167.2 | 58.2 | 0 | 0 | 0 | 0 | 111.2 | H914 | H914-S1170 PolarHBondContact CE1-OG 2.76Å; H914-S1170 PolarHBondContact NE2-OG 2.86Å | ||
| 1171 | Q | 32.9 | Very low | 28.7 | Very low | 141 Ų | 141 | 119.9 Ų | 119.9 | 66% | 0.659 | 65% | 0.647 | S | S | * | * | trans | -94.9 | 132.8 | 164.6 | -74.4 | -163.8 | -11.3 | 0 | 0 | 110.1 | Y1169 N1173 | Y1169-Q1171 PolarHBondContact O-N 2.72Å; Q1171-N1173 PolarHBondContact O-N 2.71Å | ||
| 1172 | S | 31.2 | Very low | 28.8 | Very low | 54 Ų | 54 | 120.4 Ų | 120.4 | 38% | 0.378 | 65% | 0.651 | S | S | . | * | trans | -76.4 | 110.2 | -167.6 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | S1174 | S1172-S1174 PolarHBondContact O-N 3.13Š| ||
| 1173 | N | 27.4 | Very low | 28.7 | Very low | 158 Ų | 158 | 120.9 Ų | 120.9 | 85% | 0.845 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 71.9 | 169.2 | -93.1 | -47.5 | 0 | 0 | 0 | 111.9 | Q1171 | Q1171-N1173 PolarHBondContact O-N 2.71Š|
| 1174 | S | 33 | Very low | 28.5 | Very low | 103 Ų | 103 | 124 Ų | 124 | 72% | 0.72 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.8 | 0.9 | 172.1 | -167.9 | 0 | 0 | 0 | 0 | 114.5 | S1172 | S1172-S1174 PolarHBondContact O-N 3.13Š|
| 1175 | F | 28.2 | Very low | 28.4 | Very low | 182 Ų | 182 | 127.6 Ų | 127.6 | 80% | 0.798 | 70% | 0.702 | S | S | * | * | trans | -101 | 38.6 | -179.6 | -108.8 | -80.1 | 0 | 0 | 0 | 113.5 | ||||
| 1176 | K | 29 | Very low | 28.5 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 59% | 0.587 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -121.8 | 40.1 | 176.1 | -81.5 | 178.2 | 176.8 | 166.6 | 0 | 113 | E1163 | E1163-K1176 IonicContact OE1-NZ 3.39Å; E1163-K1176 IonicContact OE2-NZ 3.47Å; E1163-K1176 PolarHBondContact OE2-NZ 3.46Å; E1163-K1176 VanDerWaalsContact OE2-NZ 3.1Å |
| 1177 | H | 29.1 | Very low | 29 | Very low | 182 Ų | 182 | 130.6 Ų | 130.6 | 84% | 0.843 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -149 | 143.9 | 159.3 | -95.2 | -80.7 | 0 | 0 | 0 | 110.9 | ||
| 1178 | Q | 29.1 | Very low | 29.8 | Very low | 189 Ų | 189 | 132.2 Ų | 132.2 | 88% | 0.883 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 61 | 59.9 | 172.7 | -57.3 | -173.2 | 6.4 | 0 | 0 | 118.4 | ||
| 1179 | L | 29 | Very low | 30.9 | Very low | 148 Ų | 148 | 127.7 Ų | 127.7 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | trans | -159.4 | 105.8 | 148.9 | -114.7 | 156.2 | 0 | 0 | 0 | 110.9 | ||||
| 1180 | S | 25.4 | Very low | 32.5 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 83% | 0.832 | 69% | 0.691 | S | S | * | * | trans | -124.7 | 71.4 | -172.3 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1181 | S | 26 | Very low | 34.7 | Very low | 95 Ų | 95 | 123.3 Ų | 123.3 | 66% | 0.664 | 67% | 0.674 | S | S | * | * | trans | -172.9 | 155.3 | 161.8 | 46.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 1182 | S | 27.8 | Very low | 37 | Very low | 121 Ų | 121 | 118.8 Ų | 118.8 | 85% | 0.846 | 66% | 0.656 | S | S | * | * | trans | 67.2 | 148.3 | -177.4 | 70.5 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1183 | N | 26 | Very low | 39.5 | Very low | 157 Ų | 157 | 117.1 Ų | 117.1 | 84% | 0.84 | 64% | 0.643 | S | S | * | * | trans | -114.7 | 127.1 | -172.3 | -45.9 | -64.3 | 0 | 0 | 0 | 110.3 | ||||
| 1184 | E | 27.8 | Very low | 42.1 | Very low | 176 Ų | 176 | 113 Ų | 113 | 82% | 0.822 | 62% | 0.621 | S | S | * | * | trans | -171.5 | 87.7 | 154.7 | -113.4 | 163.2 | -145 | 0 | 0 | 111.2 | L1186 | E1184-L1186 PolarHBondContact O-N 2.97Š| ||
| 1185 | T | 28.8 | Very low | 44.6 | Very low | 144 Ų | 144 | 108.3 Ų | 108.3 | 88% | 0.883 | 59% | 0.589 | S | S | * | * | trans | -94.3 | 73.1 | 174.4 | 54 | 0 | 0 | 0 | 0 | 110.7 | N1187 | T1185-N1187 PolarHBondContact O-N 3.16Š| ||
| 1186 | L | 33.3 | Very low | 47.4 | Very low | 141 Ų | 141 | 99.7 Ų | 99.7 | 74% | 0.738 | 55% | 0.551 | S | S | * | * | trans | -77.3 | 101.5 | 176.7 | -94.3 | 165.7 | 0 | 0 | 0 | 111.4 | E1184 | E1184-L1186 PolarHBondContact O-N 2.97Š| ||
| 1187 | N | 33.7 | Very low | 50.3 | Low | 126 Ų | 126 | 97.4 Ų | 97.4 | 67% | 0.674 | 54% | 0.541 | S | S | * | . | trans | 24.8 | 115.6 | 152.8 | -59.2 | -31.1 | 0 | 0 | 0 | 118.2 | T1185 T1189 | T1185-N1187 PolarHBondContact O-N 3.16Å; N1187-T1189 PolarHBondContact O-N 2.71Å | ||
| 1188 | A | 44 | Very low | 53.1 | Low | 73 Ų | 73 | 92.8 Ų | 92.8 | 60% | 0.603 | 52% | 0.52 | S | S | * | . | trans | -55.1 | 110.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | F1190 | A1188-F1190 PolarHBondContact O-N 3.11Š| ||
| 1189 | T | 50.2 | Low | 56 | Low | 63 Ų | 63 | 83.8 Ų | 83.8 | 39% | 0.387 | 48% | 0.478 | S | S | . | . | trans | -80 | 90.2 | -164.2 | 14.1 | 0 | 0 | 0 | 0 | 112.2 | Y917 N1187 | Y917-T1189 VanDerWaalsContact CE1-O 3.25Å; Y917-T1189 WeakPolarHBondContact CE1-O 3.27Å; Y917-T1189 WeakPolarHBondContact OH-CB 3.46Å; Y917-T1189 PolarHBondContact OH-O 3.26Å; Y917-T1189 PolarHBondContact OH-OG1 2.83Å; N1187-T1189 PolarHBondContact O-N 2.71Å | ||
| 1190 | F | 62 | Low | 58.9 | Low | 68 Ų | 68 | 76.8 Ų | 76.8 | 30% | 0.298 | 44% | 0.441 | S | S | . | . | trans | -61.4 | 159.4 | 152.6 | -71.1 | -101.3 | 0 | 0 | 0 | 109.6 | Y1169 A1188 T1192 | Y1169-F1190 HydrophobicContact CE2-CZ 4.38Å; Y1169-F1190 WeakPolarHBondContact OH-CE1 3.25Å; Y1169-F1190 VanDerWaalsContact OH-CZ 3.25Å; Y1169-F1190 WeakPolarHBondContact OH-CZ 3.38Å; A1188-F1190 PolarHBondContact O-N 3.11Å; F1190-T1192 VanDerWaalsContact C-N 3.34Å; F1190-T1192 HydrophobicContact CB-CG2 4.25Å; F1190-T1192 PolarHBondContact O-N 2.84Å | ||
| 1191 | I | 75.4 | Confident | 62 | Low | 15 Ų | 15 | 77.4 Ų | 77.4 | 8% | 0.077 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -65.4 | 96.6 | 167 | -55.2 | -179.9 | 0 | 0 | 0 | 108 | L597 M601 P1141 V1146 I1196 W1242 | L597-I1191 HydrophobicContact CB-CD1 4.31Å; L597-I1191 HydrophobicContact CD1-CD1 3.87Å; L597-I1191 HydrophobicContact CD1-CG1 4.4Å; M601-I1191 HydrophobicContact CE-CG2 4.14Å; M601-I1191 HydrophobicContact CG-CD1 4.12Å; M601-I1191 HydrophobicContact CG-CG2 3.92Å; M601-I1191 HydrophobicContact SD-CD1 3.94Å; M601-I1191 HydrophobicContact SD-CG2 4.32Å; P1141-I1191 HydrophobicContact CB-CD1 3.94Å; P1141-I1191 HydrophobicContact CB-CG1 4.32Å; V1146-I1191 WeakPolarHBondContact CG2-O 3.25Å; I1191-I1196 HydrophobicContact CG2-CD1 3.79Å; I1191-I1196 HydrophobicContact CG2-CG1 4.41Å; I1191-W1242 HydrophobicContact CG2-CZ2 3.95Å; I1191-W1242 PolarHBondContact O-NE1 3.48Å |
| 1192 | T | 80.4 | Confident | 65 | Low | 45 Ų | 45 | 73.7 Ų | 73.7 | 28% | 0.276 | 40% | 0.4 | S | S | . | . | trans | -105.2 | 153.5 | -179.9 | 61 | 0 | 0 | 0 | 0 | 111.1 | V1146 F1190 D1194 S1195 I1196 | V1146-T1192 HydrophobicContact CG1-CG2 4.24Å; F1190-T1192 VanDerWaalsContact C-N 3.34Å; F1190-T1192 HydrophobicContact CB-CG2 4.25Å; F1190-T1192 PolarHBondContact O-N 2.84Å; T1192-D1194 PolarHBondContact O-N 3.26Å; T1192-S1195 PolarHBondContact N-OG 3.49Å; T1192-S1195 VanDerWaalsContact N-OG 3.1Å; T1192-S1195 PolarHBondContact O-N 3.4Å; T1192-S1195 PolarHBondContact O-OG 3.22Å; T1192-S1195 WeakPolarHBondContact OG1-CB 3.21Å; T1192-S1195 PolarHBondContact OG1-N 3.31Å; T1192-S1195 VanDerWaalsContact OG1-N 3.08Å; T1192-S1195 PolarHBondContact OG1-OG 3.2Å; T1192-S1195 VanDerWaalsContact OG1-OG 3.09Å; T1192-I1196 PolarHBondContact O-N 2.7Å; T1192-I1196 VanDerWaalsContact O-N 3.11Å | ||
| 1193 | V | 83.2 | Confident | 67.9 | Low | 20 Ų | 20 | 68 Ų | 68 | 12% | 0.121 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58 | -35.7 | 173.8 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | P541 C542 K1197 I1213 W1242 | P541-V1193 HydrophobicContact CB-CG2 3.39Å; C542-V1193 HydrophobicContact CB-CG1 3.77Å; C542-V1193 HydrophobicContact CB-CG2 4.26Å; V1193-K1197 VanDerWaalsContact O-CB 3.28Å; V1193-K1197 WeakPolarHBondContact O-CB 3.4Å; V1193-K1197 PolarHBondContact O-N 3.22Å; V1193-I1213 HydrophobicContact CG1-CB 4.28Å; V1193-I1213 HydrophobicContact CG1-CD1 3.78Å; V1193-I1213 HydrophobicContact CG1-CG1 3.6Å; V1193-I1213 HydrophobicContact CG1-CG2 3.94Å; V1193-W1242 HydrophobicContact CG2-CH2 4.49Å; V1193-W1242 HydrophobicContact CG2-CZ2 4.4Å |
| 1194 | D | 82.6 | Confident | 70.9 | Confident | 70 Ų | 70 | 63 Ų | 63 | 37% | 0.374 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -73.3 | -38.2 | 178.2 | -154.4 | 71.1 | 0 | 0 | 0 | 112 | T1192 I1196 K1197 Q1198 | T1192-D1194 PolarHBondContact O-N 3.26Å; D1194-I1196 VanDerWaalsContact C-N 3.32Å; D1194-I1196 PolarHBondContact O-N 3.38Å; D1194-K1197 WeakPolarHBondContact O-CB 3.41Å; D1194-K1197 PolarHBondContact O-N 2.9Å; D1194-K1197 VanDerWaalsContact O-N 3.15Å; D1194-K1197 WeakPolarHBondContact OD1-CD 3.1Å; D1194-K1197 IonicContact OD1-NZ 3.26Å; D1194-K1197 PolarHBondContact OD1-NZ 3.45Å; D1194-Q1198 WeakPolarHBondContact O-CB 3.2Å; D1194-Q1198 VanDerWaalsContact O-CG 3.3Å; D1194-Q1198 WeakPolarHBondContact O-CG 3.13Å; D1194-Q1198 PolarHBondContact O-N 3.43Å; D1194-Q1198 PolarHBondContact OD2-NE2 3.07Å |
| 1195 | S | 85 | Confident | 73.8 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.3 | -40.2 | 171.7 | 66 | 0 | 0 | 0 | 0 | 112.8 | L594 T1192 Q1198 F1199 | L594-S1195 WeakPolarHBondContact O-CB 3.48Å; T1192-S1195 PolarHBondContact N-OG 3.49Å; T1192-S1195 VanDerWaalsContact N-OG 3.1Å; T1192-S1195 PolarHBondContact O-N 3.4Å; T1192-S1195 PolarHBondContact O-OG 3.22Å; T1192-S1195 WeakPolarHBondContact OG1-CB 3.21Å; T1192-S1195 PolarHBondContact OG1-N 3.31Å; T1192-S1195 VanDerWaalsContact OG1-N 3.08Å; T1192-S1195 PolarHBondContact OG1-OG 3.2Å; T1192-S1195 VanDerWaalsContact OG1-OG 3.09Å; S1195-Q1198 PolarHBondContact O-N 3.4Å; S1195-F1199 VanDerWaalsContact O-CB 3.28Å; S1195-F1199 WeakPolarHBondContact O-CB 3.21Å; S1195-F1199 PolarHBondContact O-N 3.17Å |
| 1196 | I | 88.8 | Confident | 76.6 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.1 | -37.8 | 175.4 | -69.7 | 169.3 | 0 | 0 | 0 | 111.5 | M601 L605 I1191 T1192 D1194 F1199 L1200 L1211 W1242 | M601-I1196 HydrophobicContact CB-CD1 3.92Å; M601-I1196 HydrophobicContact CB-CG1 4.49Å; M601-I1196 HydrophobicContact CE-CD1 4.47Å; M601-I1196 HydrophobicContact CG-CD1 4.3Å; L605-I1196 HydrophobicContact CD1-CG2 4.38Å; I1191-I1196 HydrophobicContact CG2-CD1 3.79Å; I1191-I1196 HydrophobicContact CG2-CG1 4.41Å; T1192-I1196 PolarHBondContact O-N 2.7Å; T1192-I1196 VanDerWaalsContact O-N 3.11Å; D1194-I1196 VanDerWaalsContact C-N 3.32Å; D1194-I1196 PolarHBondContact O-N 3.38Å; I1196-F1199 PolarHBondContact O-N 3.37Å; I1196-L1200 HydrophobicContact CG2-CD1 4.09Å; I1196-L1200 WeakPolarHBondContact O-CB 3.21Å; I1196-L1200 WeakPolarHBondContact O-CG 3.13Å; I1196-L1200 PolarHBondContact O-N 3.1Å; I1196-L1211 HydrophobicContact CG2-CD2 4.31Å; I1196-W1242 HydrophobicContact CD1-CH2 3.44Å; I1196-W1242 VanDerWaalsContact CD1-CH2 3.44Å; I1196-W1242 HydrophobicContact CD1-CZ2 3.55Å; I1196-W1242 HydrophobicContact CD1-CZ3 4.37Å |
| 1197 | K | 89.5 | Confident | 79.2 | Confident | 88 Ų | 88 | 54 Ų | 54 | 38% | 0.383 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 176 | 177.5 | -150.3 | 177.4 | -168.6 | 0 | 112 | V1193 D1194 Y1201 L1211 I1213 | V1193-K1197 VanDerWaalsContact O-CB 3.28Å; V1193-K1197 WeakPolarHBondContact O-CB 3.4Å; V1193-K1197 PolarHBondContact O-N 3.22Å; D1194-K1197 WeakPolarHBondContact O-CB 3.41Å; D1194-K1197 PolarHBondContact O-N 2.9Å; D1194-K1197 VanDerWaalsContact O-N 3.15Å; D1194-K1197 WeakPolarHBondContact OD1-CD 3.1Å; D1194-K1197 IonicContact OD1-NZ 3.26Å; D1194-K1197 PolarHBondContact OD1-NZ 3.45Å; K1197-Y1201 PolarHBondContact O-N 3.29Å; K1197-Y1201 VanDerWaalsContact O-N 3.13Å; K1197-L1211 HydrophobicContact CB-CD2 3.72Å; K1197-L1211 HydrophobicContact CG-CD2 4.35Å; K1197-I1213 HydrophobicContact CD-CD1 4.14Å |
| 1198 | Q | 86.8 | Confident | 81.9 | Confident | 85 Ų | 85 | 50.1 Ų | 50.1 | 40% | 0.397 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.4 | -46.7 | 173.3 | -70.1 | -179.4 | 27.6 | 0 | 0 | 110.7 | L594 D1194 S1195 L1200 Y1201 | L594-Q1198 HydrophobicContact CB-CB 4.47Å; L594-Q1198 HydrophobicContact CD1-CB 4.24Å; D1194-Q1198 WeakPolarHBondContact O-CB 3.2Å; D1194-Q1198 VanDerWaalsContact O-CG 3.3Å; D1194-Q1198 WeakPolarHBondContact O-CG 3.13Å; D1194-Q1198 PolarHBondContact O-N 3.43Å; D1194-Q1198 PolarHBondContact OD2-NE2 3.07Å; S1195-Q1198 PolarHBondContact O-N 3.4Å; Q1198-L1200 PolarHBondContact O-N 3.5Å; Q1198-Y1201 VanDerWaalsContact O-CB 3.22Å; Q1198-Y1201 WeakPolarHBondContact O-CB 3.32Å; Q1198-Y1201 PolarHBondContact O-N 2.91Å; Q1198-Y1201 VanDerWaalsContact O-N 3.11Å |
| 1199 | F | 90 | Very high | 84.2 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.4 | -50.2 | 174.1 | 172.6 | -99.3 | 0 | 0 | 0 | 112.1 | W557 Q562 T591 I592 C595 P599 S1195 I1196 Y1201 | W557-F1199 WeakPolarHBondContact CH2-O 3.42Å; W557-F1199 HydrophobicContact CZ3-CE1 4.45Å; W557-F1199 HydrophobicContact CZ3-CZ 4.49Å; Q562-F1199 HydrophobicContact CG-CE2 3.96Å; Q562-F1199 HydrophobicContact CG-CZ 4.1Å; T591-F1199 WeakPolarHBondContact CB-O 3.49Å; T591-F1199 WeakPolarHBondContact OG1-CD2 3.24Å; T591-F1199 PolarHBondContact OG1-O 3.38Å; I592-F1199 HydrophobicContact CB-CE2 4.34Å; C595-F1199 HydrophobicContact CB-CB 3.69Å; C595-F1199 HydrophobicContact CB-CD2 4.37Å; C595-F1199 HydrophobicContact CB-CG 4.17Å; P599-F1199 HydrophobicContact CG-CE2 4.39Å; P599-F1199 HydrophobicContact CG-CZ 3.94Å; S1195-F1199 VanDerWaalsContact O-CB 3.28Å; S1195-F1199 WeakPolarHBondContact O-CB 3.21Å; S1195-F1199 PolarHBondContact O-N 3.17Å; I1196-F1199 PolarHBondContact O-N 3.37Å; F1199-Y1201 VanDerWaalsContact C-N 3.26Å; F1199-Y1201 PolarHBondContact O-N 3.34Å |
| 1200 | L | 90.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -4.8 | 179.3 | -75.6 | 177.9 | 0 | 0 | 0 | 114.7 | M544 I1196 Q1198 A1203 I1204 L1211 | M544-L1200 HydrophobicContact CE-CD1 4Å; M544-L1200 HydrophobicContact CE-CD2 3.81Å; M544-L1200 HydrophobicContact SD-CD1 4.17Å; I1196-L1200 HydrophobicContact CG2-CD1 4.09Å; I1196-L1200 WeakPolarHBondContact O-CB 3.21Å; I1196-L1200 WeakPolarHBondContact O-CG 3.13Å; I1196-L1200 PolarHBondContact O-N 3.1Å; Q1198-L1200 PolarHBondContact O-N 3.5Å; L1200-A1203 HydrophobicContact CD2-CB 4.48Å; L1200-A1203 PolarHBondContact O-N 3.46Å; L1200-I1204 HydrophobicContact CB-CD1 3.76Å; L1200-I1204 HydrophobicContact CB-CG1 4.13Å; L1200-I1204 WeakPolarHBondContact O-CG1 3.23Å; L1200-I1204 PolarHBondContact O-N 2.81Å; L1200-L1211 HydrophobicContact CD1-CD1 4.22Å |
| 1201 | Y | 90.1 | Very high | 87.5 | Confident | 132 Ų | 132 | 48.3 Ų | 48.3 | 52% | 0.518 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -54.1 | -43.8 | -169.2 | -175.2 | -104.4 | 0 | 0 | 0 | 114.1 | K1197 Q1198 F1199 I1204 Q1205 | K1197-Y1201 PolarHBondContact O-N 3.29Å; K1197-Y1201 VanDerWaalsContact O-N 3.13Å; Q1198-Y1201 VanDerWaalsContact O-CB 3.22Å; Q1198-Y1201 WeakPolarHBondContact O-CB 3.32Å; Q1198-Y1201 PolarHBondContact O-N 2.91Å; Q1198-Y1201 VanDerWaalsContact O-N 3.11Å; F1199-Y1201 VanDerWaalsContact C-N 3.26Å; F1199-Y1201 PolarHBondContact O-N 3.34Å; Y1201-I1204 PolarHBondContact O-N 3.31Å; Y1201-Q1205 HydrophobicContact CD1-CG 4.38Å; Y1201-Q1205 VanDerWaalsContact CE1-CD 3.44Å; Y1201-Q1205 HydrophobicContact CE1-CG 4.04Å; Y1201-Q1205 HydrophobicContact CE2-CG 4.48Å; Y1201-Q1205 VanDerWaalsContact CZ-NE2 3.33Å; Y1201-Q1205 WeakPolarHBondContact O-CG 3.44Å; Y1201-Q1205 PolarHBondContact O-N 3.46Å; Y1201-Q1205 PolarHBondContact OH-NE2 3.27Å; Y1201-Q1205 VanDerWaalsContact OH-NE2 3.12Å |
| 1202 | P | 88.4 | Confident | 88.1 | Confident | 18 Ų | 18 | 52.9 Ų | 52.9 | 12% | 0.117 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 175.4 | -21.4 | 34.9 | 0 | 0 | 0 | 112.9 | W557 T591 I1204 Q1205 I1206 | W557-P1202 HydrophobicContact CH2-CG 4.46Å; W557-P1202 HydrophobicContact CZ2-CB 3.83Å; W557-P1202 HydrophobicContact CZ2-CG 3.93Å; T591-P1202 HydrophobicContact CG2-CG 3.71Å; P1202-I1204 VanDerWaalsContact C-N 3.26Å; P1202-I1204 PolarHBondContact O-N 3.39Å; P1202-Q1205 PolarHBondContact O-N 3.05Å; P1202-I1206 WeakPolarHBondContact O-CD1 3.46Å; P1202-I1206 VanDerWaalsContact O-CG1 3.25Å; P1202-I1206 WeakPolarHBondContact O-CG1 3.34Å; P1202-I1206 PolarHBondContact O-N 2.96Å |
| 1203 | A | 89.1 | Confident | 88.2 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.8 | -26.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | L554 W557 L1200 G1207 W1208 C1209 | L554-A1203 HydrophobicContact CD1-CB 3.87Å; W557-A1203 HydrophobicContact CE3-CB 4.1Å; W557-A1203 HydrophobicContact CH2-CB 4.27Å; W557-A1203 HydrophobicContact CZ3-CB 3.9Å; L1200-A1203 HydrophobicContact CD2-CB 4.48Å; L1200-A1203 PolarHBondContact O-N 3.46Å; A1203-G1207 PolarHBondContact O-N 3.36Å; A1203-W1208 HydrophobicContact CB-CE3 4.16Å; A1203-W1208 PolarHBondContact O-N 3.05Å; A1203-W1208 VanDerWaalsContact O-N 3.09Å; A1203-C1209 PolarHBondContact O-N 3.47Å |
| 1204 | I | 89.8 | Confident | 87.5 | Confident | 54 Ų | 54 | 58.7 Ų | 58.7 | 28% | 0.277 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -75.3 | -42.4 | 171.2 | -66.4 | 166.8 | 0 | 0 | 0 | 110.7 | L1200 Y1201 P1202 G1207 L1211 | L1200-I1204 HydrophobicContact CB-CD1 3.76Å; L1200-I1204 HydrophobicContact CB-CG1 4.13Å; L1200-I1204 WeakPolarHBondContact O-CG1 3.23Å; L1200-I1204 PolarHBondContact O-N 2.81Å; Y1201-I1204 PolarHBondContact O-N 3.31Å; P1202-I1204 VanDerWaalsContact C-N 3.26Å; P1202-I1204 PolarHBondContact O-N 3.39Å; I1204-G1207 PolarHBondContact O-N 3.39Å; I1204-G1207 VanDerWaalsContact O-N 3.13Å; I1204-L1211 HydrophobicContact CD1-CB 4.01Å |
| 1205 | Q | 88 | Confident | 86.3 | Confident | 130 Ų | 130 | 59.5 Ų | 59.5 | 61% | 0.607 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -62.8 | -42.3 | 175.5 | -77.2 | -173 | -32.8 | 0 | 0 | 112.6 | Y1201 P1202 G1207 | Y1201-Q1205 HydrophobicContact CD1-CG 4.38Å; Y1201-Q1205 VanDerWaalsContact CE1-CD 3.44Å; Y1201-Q1205 HydrophobicContact CE1-CG 4.04Å; Y1201-Q1205 HydrophobicContact CE2-CG 4.48Å; Y1201-Q1205 VanDerWaalsContact CZ-NE2 3.33Å; Y1201-Q1205 WeakPolarHBondContact O-CG 3.44Å; Y1201-Q1205 PolarHBondContact O-N 3.46Å; Y1201-Q1205 PolarHBondContact OH-NE2 3.27Å; Y1201-Q1205 VanDerWaalsContact OH-NE2 3.12Å; P1202-Q1205 PolarHBondContact O-N 3.05Å; Q1205-G1207 PolarHBondContact O-N 2.93Å |
| 1206 | I | 88.4 | Confident | 84.5 | Confident | 94 Ų | 94 | 64.3 Ų | 64.3 | 48% | 0.482 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -18.4 | 175.5 | -61.8 | 161.9 | 0 | 0 | 0 | 111.3 | P1202 W1208 | P1202-I1206 WeakPolarHBondContact O-CD1 3.46Å; P1202-I1206 VanDerWaalsContact O-CG1 3.25Å; P1202-I1206 WeakPolarHBondContact O-CG1 3.34Å; P1202-I1206 PolarHBondContact O-N 2.96Å; I1206-W1208 HydrophobicContact CB-CD2 4.3Å; I1206-W1208 HydrophobicContact CD1-CE3 4.28Å; I1206-W1208 HydrophobicContact CD1-CH2 4.13Å; I1206-W1208 HydrophobicContact CD1-CZ3 3.99Å; I1206-W1208 HydrophobicContact CG2-CD2 3.75Å; I1206-W1208 HydrophobicContact CG2-CE3 4.39Å; I1206-W1208 HydrophobicContact CG2-CG 3.96Å; I1206-W1208 HydrophobicContact CG2-CZ2 4.04Å |
| 1207 | G | 87.5 | Confident | 82 | Confident | 48 Ų | 48 | 70.2 Ų | 70.2 | 50% | 0.495 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 6.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | A1203 I1204 Q1205 C1209 | A1203-G1207 PolarHBondContact O-N 3.36Å; I1204-G1207 PolarHBondContact O-N 3.39Å; I1204-G1207 VanDerWaalsContact O-N 3.13Å; Q1205-G1207 PolarHBondContact O-N 2.93Å; G1207-C1209 PolarHBondContact O-N 2.91Å |
| 1208 | W | 90.4 | Very high | 79.4 | Confident | 43 Ų | 43 | 75.8 Ų | 75.8 | 16% | 0.163 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -61.8 | -30.6 | 174.6 | -68.6 | -24.4 | 0 | 0 | 0 | 112.8 | T550 Q553 L554 W557 A1203 I1206 | T550-W1208 PolarHBondContact OG1-O 3.41Å; Q553-W1208 HydrophobicContact CB-CZ2 3.94Å; L554-W1208 HydrophobicContact CB-CB 4.35Å; L554-W1208 HydrophobicContact CD1-CB 4.03Å; L554-W1208 HydrophobicContact CD1-CE3 4.29Å; W557-W1208 HydrophobicContact CB-CE3 4.43Å; W557-W1208 HydrophobicContact CB-CH2 4.19Å; W557-W1208 HydrophobicContact CB-CZ3 3.58Å; W557-W1208 AromaticContact CD1-CZ3 3.8Å; W557-W1208 HydrophobicContact CD2-CZ3 4.26Å; W557-W1208 HydrophobicContact CG-CH2 4.38Å; W557-W1208 AromaticContact CG-CZ3 3.61Å; W557-W1208 HydrophobicContact CG-CZ3 3.61Å; A1203-W1208 HydrophobicContact CB-CE3 4.16Å; A1203-W1208 PolarHBondContact O-N 3.05Å; A1203-W1208 VanDerWaalsContact O-N 3.09Å; I1206-W1208 HydrophobicContact CB-CD2 4.3Å; I1206-W1208 HydrophobicContact CD1-CE3 4.28Å; I1206-W1208 HydrophobicContact CD1-CH2 4.13Å; I1206-W1208 HydrophobicContact CD1-CZ3 3.99Å; I1206-W1208 HydrophobicContact CG2-CD2 3.75Å; I1206-W1208 HydrophobicContact CG2-CE3 4.39Å; I1206-W1208 HydrophobicContact CG2-CG 3.96Å; I1206-W1208 HydrophobicContact CG2-CZ2 4.04Å |
| 1209 | C | 91.9 | Very high | 76.7 | Confident | 3 Ų | 3 | 77 Ų | 77 | 2% | 0.02 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 165.8 | 177.3 | 70.7 | 0 | 0 | 0 | 0 | 113.1 | M544 A545 F546 L554 A1203 G1207 | M544-C1209 HydrophobicContact CE-CB 3.5Å; A545-C1209 CarbonylContact O-C 3.56Å; A545-C1209 VanDerWaalsContact O-CA 3.24Å; A545-C1209 WeakPolarHBondContact O-CA 3.45Å; A545-C1209 WeakPolarHBondContact O-CB 3.39Å; F546-C1209 HydrophobicContact CB-CB 4.44Å; L554-C1209 HydrophobicContact CD1-CB 4.44Å; L554-C1209 HydrophobicContact CD2-CB 4.11Å; A1203-C1209 PolarHBondContact O-N 3.47Å; G1207-C1209 PolarHBondContact O-N 2.91Å |
| 1210 | R | 91.4 | Very high | 73.9 | Confident | 136 Ų | 136 | 81.8 Ų | 81.8 | 51% | 0.513 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 137.3 | 170.3 | -62.5 | -177.1 | -175.4 | 164.3 | 4.3 | 108.7 | Y512 A545 | Y512-R1210 PolarHBondContact O-NH1 2.9Å; Y512-R1210 PolarHBondContact O-NH2 3.06Å; A545-R1210 PolarHBondContact N-O 3.15Å; A545-R1210 PolarHBondContact O-N 3.42Å |
| 1211 | L | 90.4 | Very high | 70.9 | Confident | 27 Ų | 27 | 88.8 Ų | 88.8 | 14% | 0.141 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 116.7 | 176.3 | -169.2 | 69.1 | 0 | 0 | 0 | 110 | C542 M544 I1196 K1197 L1200 I1204 | C542-L1211 HydrophobicContact CB-CD1 4.06Å; C542-L1211 HydrophobicContact CB-CG 4.3Å; M544-L1211 HydrophobicContact CB-CD1 4.47Å; I1196-L1211 HydrophobicContact CG2-CD2 4.31Å; K1197-L1211 HydrophobicContact CB-CD2 3.72Å; K1197-L1211 HydrophobicContact CG-CD2 4.35Å; L1200-L1211 HydrophobicContact CD1-CD1 4.22Å; I1204-L1211 HydrophobicContact CD1-CB 4.01Å |
| 1212 | L | 86.9 | Confident | 68 | Low | 112 Ų | 112 | 89.4 Ų | 89.4 | 59% | 0.586 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 106.7 | 173.4 | -66.9 | 172.2 | 0 | 0 | 0 | 108.8 | C542 Q543 | C542-L1212 CarbonylContact C-O 3.53Å; C542-L1212 WeakPolarHBondContact CA-O 3.31Å; Q543-L1212 HydrophobicContact CB-CB 4.38Å; Q543-L1212 PolarHBondContact N-O 3.29Å; Q543-L1212 PolarHBondContact O-N 3.43Å |
| 1213 | I | 82.4 | Confident | 65.3 | Low | 83 Ų | 83 | 97.6 Ų | 97.6 | 43% | 0.426 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 135 | 173.5 | -60 | 179.5 | 0 | 0 | 0 | 108.3 | V1193 K1197 P1215 | V1193-I1213 HydrophobicContact CG1-CB 4.28Å; V1193-I1213 HydrophobicContact CG1-CD1 3.78Å; V1193-I1213 HydrophobicContact CG1-CG1 3.6Å; V1193-I1213 HydrophobicContact CG1-CG2 3.94Å; K1197-I1213 HydrophobicContact CD-CD1 4.14Å; I1213-P1215 VanDerWaalsContact O-CD 3.22Å; I1213-P1215 WeakPolarHBondContact O-CD 3.17Å |
| 1214 | R | 70.2 | Confident | 62.4 | Low | 104 Ų | 104 | 104.9 Ų | 104.9 | 39% | 0.392 | 54% | 0.544 | S | S | . | . | trans | -74 | 112.2 | 175.9 | -170.5 | 174.7 | -178.4 | 112.9 | 6.6 | 108.7 | S537 D538 P541 | S537-R1214 PolarHBondContact OG-NH1 3.46Å; D538-R1214 PolarHBondContact O-NH1 2.95Å; P541-R1214 WeakPolarHBondContact O-CB 3.31Å; P541-R1214 PolarHBondContact O-N 2.99Å | ||
| 1215 | P | 55.8 | Low | 59.5 | Low | 87 Ų | 87 | 111.2 Ų | 111.2 | 57% | 0.565 | 57% | 0.57 | S | S | * | * | trans | -73.2 | 142.3 | -177.1 | 30.2 | -34.5 | 0 | 0 | 0 | 111 | I1213 I1217 | I1213-P1215 VanDerWaalsContact O-CD 3.22Å; I1213-P1215 WeakPolarHBondContact O-CD 3.17Å; P1215-I1217 HydrophobicContact CB-CD1 4.16Å; P1215-I1217 HydrophobicContact CB-CG1 3.92Å; P1215-I1217 HydrophobicContact CG-CD1 3.65Å; P1215-I1217 HydrophobicContact CG-CG1 3.88Å; P1215-I1217 PolarHBondContact O-N 3.17Å | ||
| 1216 | N | 48.5 | Very low | 56.6 | Low | 107 Ų | 107 | 112 Ų | 112 | 57% | 0.572 | 58% | 0.578 | S | S | * | * | trans | -73 | 67.6 | 177.6 | -78.4 | -9.8 | 0 | 0 | 0 | 111.7 | Y1218 | N1216-Y1218 PolarHBondContact O-N 2.91Š| ||
| 1217 | I | 35.9 | Very low | 53.8 | Low | 124 Ų | 124 | 116.3 Ų | 116.3 | 64% | 0.636 | 60% | 0.597 | S | S | * | * | trans | -88.8 | 85.7 | -178.7 | -54.1 | 178.9 | 0 | 0 | 0 | 110.6 | P1215 | P1215-I1217 HydrophobicContact CB-CD1 4.16Å; P1215-I1217 HydrophobicContact CB-CG1 3.92Å; P1215-I1217 HydrophobicContact CG-CD1 3.65Å; P1215-I1217 HydrophobicContact CG-CG1 3.88Å; P1215-I1217 PolarHBondContact O-N 3.17Å | ||
| 1218 | Y | 33.9 | Very low | 51 | Low | 204 Ų | 204 | 123.3 Ų | 123.3 | 80% | 0.8 | 61% | 0.613 | S | S | * | * | trans | -131.5 | 95.8 | 152 | -78 | -71.4 | 0 | 0 | 0 | 108.2 | N1216 | N1216-Y1218 PolarHBondContact O-N 2.91Š| ||
| 1219 | P | 32 | Very low | 48.2 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 71% | 0.714 | 65% | 0.647 | S | S | * | * | trans | -70.5 | 138.4 | 178.5 | 29.6 | -33.8 | 0 | 0 | 0 | 110.4 | N1221 | P1219-N1221 PolarHBondContact O-N 3.04Å; P1219-N1221 VanDerWaalsContact O-N 3.07Å | ||
| 1220 | A | 29.3 | Very low | 45.1 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 84% | 0.843 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -75.1 | 6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 1221 | N | 28.7 | Very low | 42.2 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 78% | 0.781 | 70% | 0.696 | S | S | * | * | trans | -133.4 | 86.6 | -165.3 | -65.9 | -24.3 | 0 | 0 | 0 | 112.7 | P1219 | P1219-N1221 PolarHBondContact O-N 3.04Å; P1219-N1221 VanDerWaalsContact O-N 3.07Å | ||
| 1222 | D | 29.7 | Very low | 39.2 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | trans | -162.2 | 160.6 | 149.5 | -131 | -24.8 | 0 | 0 | 0 | 111.2 | ||||
| 1223 | F | 31.8 | Very low | 36.7 | Very low | 190 Ų | 190 | 143 Ų | 143 | 83% | 0.833 | 74% | 0.738 | S | S | * | * | trans | 70.5 | 65.5 | -179 | -65.1 | -77.8 | 0 | 0 | 0 | 118.5 | ||||
| 1224 | L | 27.5 | Very low | 34.3 | Very low | 153 Ų | 153 | 144 Ų | 144 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | trans | -63.5 | 119.1 | 149.3 | 178.2 | 168.6 | 0 | 0 | 0 | 110.5 | ||||
| 1225 | F | 28.6 | Very low | 32.5 | Very low | 186 Ų | 186 | 145 Ų | 145 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | trans | -169.6 | 151.9 | 147.2 | -113 | -74.2 | 0 | 0 | 0 | 112.5 | ||||
| 1226 | D | 28.6 | Very low | 31.4 | Very low | 147 Ų | 147 | 150.2 Ų | 150.2 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | 56.6 | 83 | 175.2 | -76.5 | 8.7 | 0 | 0 | 0 | 119.6 | K1228 | D1226-K1228 PolarHBondContact O-N 3.43Š| ||
| 1227 | E | 28.4 | Very low | 31 | Very low | 185 Ų | 185 | 152.7 Ų | 152.7 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -62.5 | 105.1 | 151.8 | -64 | 179.8 | 106.5 | 0 | 0 | 111.3 | ||||
| 1228 | K | 29.6 | Very low | 31.4 | Very low | 194 Ų | 194 | 153.2 Ų | 153.2 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | 166.9 | 88.1 | 140.3 | -89 | 147.6 | -163.8 | 157.3 | 0 | 112.2 | D1226 | D1226-K1228 PolarHBondContact O-N 3.43Š| ||
| 1229 | I | 31.1 | Very low | 32.3 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | -178.1 | 115.8 | 144.1 | -93.4 | 146.4 | 0 | 0 | 0 | 105.6 | ||||
| 1230 | S | 25.7 | Very low | 33.8 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | trans | -118.6 | 99 | -172.3 | 45.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1231 | V | 30.4 | Very low | 35.7 | Very low | 120 Ų | 120 | 145.8 Ų | 145.8 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | trans | -139.2 | 96.4 | 165.2 | -171.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1232 | N | 28.9 | Very low | 38 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 85% | 0.845 | 70% | 0.695 | S | S | * | * | trans | 15.1 | 103.2 | 156.9 | -54.8 | -12.2 | 0 | 0 | 0 | 118.9 | ||||
| 1233 | H | 33.1 | Very low | 40.4 | Very low | 166 Ų | 166 | 133.5 Ų | 133.5 | 77% | 0.769 | 67% | 0.666 | S | S | * | * | trans | -125.7 | 137.7 | 155.4 | -85.6 | -66.9 | 0 | 0 | 0 | 110.7 | ||||
| 1234 | S | 32.3 | Very low | 42.8 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 154.9 | 176.2 | 56.6 | 0 | 0 | 0 | 0 | 111.4 | R1236 | S1234-R1236 PolarHBondContact O-N 2.95Š|
| 1235 | P | 31.9 | Very low | 45.5 | Very low | 127 Ų | 127 | 121 Ų | 121 | 83% | 0.825 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 130 | -172.5 | 27.7 | -34.7 | 0 | 0 | 0 | 112.6 | K1237 | P1235-K1237 PolarHBondContact O-N 3.3Š|
| 1236 | R | 34 | Very low | 48.2 | Very low | 196 Ų | 196 | 112.8 Ų | 112.8 | 74% | 0.74 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 120.1 | 173.1 | -64 | -177.6 | -174.8 | 171.5 | 4.4 | 110.1 | S1234 | S1234-R1236 PolarHBondContact O-N 2.95Š|
| 1237 | K | 40.3 | Very low | 50.4 | Low | 159 Ų | 159 | 108.9 Ų | 108.9 | 69% | 0.691 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 133.6 | 168.4 | -66.4 | 178.2 | -179.8 | 174.9 | 0 | 109.4 | P1235 | P1235-K1237 PolarHBondContact O-N 3.3Š|
| 1238 | Q | 44.7 | Very low | 52.1 | Low | 134 Ų | 134 | 103.1 Ų | 103.1 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -103.6 | 153.1 | 176.6 | -61.7 | -178.9 | 7 | 0 | 0 | 110 | I1148 | I1148-Q1238 HydrophobicContact CD1-CB 4.27Å; I1148-Q1238 WeakPolarHBondContact CD1-O 3.27Å |
| 1239 | F | 52.6 | Low | 53 | Low | 121 Ų | 121 | 96.6 Ų | 96.6 | 53% | 0.531 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 152.6 | 179.8 | -68.9 | -91.1 | 0 | 0 | 0 | 110.1 | P1145 | P1145-F1239 HydrophobicContact CB-CB 4.38Å; P1145-F1239 HydrophobicContact CB-CD1 4.32Å |
| 1240 | L | 62.9 | Low | 53.2 | Low | 44 Ų | 44 | 93.8 Ų | 93.8 | 23% | 0.23 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 147.2 | 167.3 | -71.6 | 169.3 | 0 | 0 | 0 | 109 | P541 V1146 I1148 | P541-L1240 HydrophobicContact CB-CB 4.37Å; P541-L1240 HydrophobicContact CB-CD1 4.41Å; P541-L1240 HydrophobicContact CG-CB 4.2Å; V1146-L1240 HydrophobicContact CB-CB 4.2Å; V1146-L1240 PolarHBondContact N-O 3.18Å; V1146-L1240 PolarHBondContact O-N 3.4Å; V1146-L1240 VanDerWaalsContact O-N 3.16Å; I1148-L1240 HydrophobicContact CD1-CG 4.13Å; I1148-L1240 HydrophobicContact CG1-CD1 4.36Å; I1148-L1240 HydrophobicContact CG1-CG 4.12Å |
| 1241 | Q | 68.9 | Low | 53.6 | Low | 96 Ų | 96 | 92.3 Ų | 92.3 | 45% | 0.449 | 48% | 0.479 | S | S | . | . | trans | -132.1 | 134.2 | -172.9 | -84.2 | 176.7 | -28.9 | 0 | 0 | 110.5 | P541 N1243 V1244 | P541-Q1241 WeakPolarHBondContact CD-O 3.49Å; P541-Q1241 WeakPolarHBondContact CG-O 3.2Å; Q1241-N1243 WeakPolarHBondContact CB-OD1 3.48Å; Q1241-V1244 HydrophobicContact CB-CG2 3.52Å; Q1241-V1244 WeakPolarHBondContact O-CG2 3.16Å | ||
| 1242 | W | 77 | Confident | 53.5 | Low | 1 Ų | 1 | 92.3 Ų | 92.3 | 0% | 0.004 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -85.2 | -32.3 | 170 | -68.3 | 112.9 | 0 | 0 | 0 | 111.9 | L540 P541 M601 L605 S1142 V1146 I1191 V1193 I1196 V1244 | L540-W1242 HydrophobicContact CD2-CE3 4Å; L540-W1242 WeakPolarHBondContact CD2-O 3.38Å; P541-W1242 HydrophobicContact CB-CH2 4.23Å; P541-W1242 HydrophobicContact CB-CZ2 4.34Å; P541-W1242 HydrophobicContact CB-CZ3 4.46Å; P541-W1242 HydrophobicContact CG-CD2 4Å; P541-W1242 HydrophobicContact CG-CE3 4.02Å; P541-W1242 HydrophobicContact CG-CH2 4.26Å; P541-W1242 HydrophobicContact CG-CZ2 4.25Å; P541-W1242 HydrophobicContact CG-CZ3 4.16Å; M601-W1242 HydrophobicContact CE-CD2 3.49Å; M601-W1242 VanDerWaalsContact CE-CD2 3.49Å; M601-W1242 HydrophobicContact CE-CE3 3.33Å; M601-W1242 HydrophobicContact CE-CG 4.05Å; M601-W1242 HydrophobicContact CE-CH2 4.15Å; M601-W1242 HydrophobicContact CE-CZ2 4.27Å; M601-W1242 HydrophobicContact CE-CZ3 3.68Å; L605-W1242 HydrophobicContact CD2-CZ3 4.41Å; S1142-W1242 WeakPolarHBondContact O-CB 3.27Å; V1146-W1242 VanDerWaalsContact CG2-NE1 3.33Å; I1191-W1242 HydrophobicContact CG2-CZ2 3.95Å; I1191-W1242 PolarHBondContact O-NE1 3.48Å; V1193-W1242 HydrophobicContact CG2-CH2 4.49Å; V1193-W1242 HydrophobicContact CG2-CZ2 4.4Å; I1196-W1242 HydrophobicContact CD1-CH2 3.44Å; I1196-W1242 VanDerWaalsContact CD1-CH2 3.44Å; I1196-W1242 HydrophobicContact CD1-CZ2 3.55Å; I1196-W1242 HydrophobicContact CD1-CZ3 4.37Å; W1242-V1244 PolarHBondContact O-N 3.32Å; W1242-V1244 VanDerWaalsContact O-N 3.07Å |
| 1243 | N | 79.5 | Confident | 53.2 | Low | 32 Ų | 32 | 90.8 Ų | 90.8 | 17% | 0.171 | 47% | 0.472 | C | S | . | . | G | 310 helix | trans | -74.5 | 12.7 | -175.7 | 61.9 | -2.6 | 0 | 0 | 0 | 115.8 | D1143 Q1241 Y1245 L1246 I1248 | D1143-N1243 PolarHBondContact O-ND2 3.01Å; D1143-N1243 VanDerWaalsContact O-ND2 3.14Å; Q1241-N1243 WeakPolarHBondContact CB-OD1 3.48Å; N1243-Y1245 PolarHBondContact O-N 2.89Å; N1243-L1246 HydrophobicContact CB-CB 4.24Å; N1243-L1246 HydrophobicContact CB-CD1 3.96Å; N1243-L1246 HydrophobicContact CB-CG 4.3Å; N1243-L1246 PolarHBondContact O-N 2.87Å; N1243-I1248 HydrophobicContact CB-CD1 3.63Å |
| 1244 | V | 82.1 | Confident | 53 | Low | 39 Ų | 39 | 87.7 Ų | 87.7 | 24% | 0.236 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -64.9 | -16.7 | -172.9 | -174.6 | 0 | 0 | 0 | 0 | 114.1 | R539 Q1241 W1242 | R539-V1244 HydrophobicContact CB-CB 4.39Å; R539-V1244 HydrophobicContact CB-CG1 3.6Å; R539-V1244 HydrophobicContact CG-CG1 4.16Å; Q1241-V1244 HydrophobicContact CB-CG2 3.52Å; Q1241-V1244 WeakPolarHBondContact O-CG2 3.16Å; W1242-V1244 PolarHBondContact O-N 3.32Å; W1242-V1244 VanDerWaalsContact O-N 3.07Å |
| 1245 | Y | 85 | Confident | 52.7 | Low | 43 Ų | 43 | 89.5 Ų | 89.5 | 17% | 0.169 | 47% | 0.467 | C | S | . | . | G | 310 helix | trans | -115 | 4.1 | 174.3 | -63.4 | -71.7 | 0 | 0 | 0 | 113.6 | D538 R539 L540 R608 D747 I748 D749 N1243 | D538-Y1245 WeakPolarHBondContact OD1-CE2 3.44Å; D538-Y1245 PolarHBondContact OD1-OH 3.4Å; R539-Y1245 PolarHBondContact N-OH 2.69Å; L540-Y1245 HydrophobicContact CD1-CD2 4.18Å; L540-Y1245 HydrophobicContact CD1-CE2 4.03Å; L540-Y1245 HydrophobicContact CD2-CD2 4.47Å; L540-Y1245 HydrophobicContact CG-CD2 4.08Å; L540-Y1245 HydrophobicContact CG-CE2 3.89Å; R608-Y1245 VanDerWaalsContact NH1-CD1 3.28Å; R608-Y1245 VanDerWaalsContact NH1-CE1 3.26Å; D747-Y1245 WeakPolarHBondContact CA-O 3.49Å; I748-Y1245 WeakPolarHBondContact CG1-O 3.32Å; I748-Y1245 PolarHBondContact N-O 3.23Å; D749-Y1245 WeakPolarHBondContact OD2-CD1 3.36Å; N1243-Y1245 PolarHBondContact O-N 2.89Å |
| 1246 | L | 84.3 | Confident | 52.4 | Low | 13 Ų | 13 | 88.2 Ų | 88.2 | 7% | 0.068 | 46% | 0.459 | C | S | . | . | B | Isolated β-bridge | trans | -95.8 | 130.7 | -175.3 | -54.8 | -178.3 | 0 | 0 | 0 | 110.3 | L743 C746 D747 N1243 I1248 | L743-L1246 HydrophobicContact CD2-CD1 3.96Å; L743-L1246 HydrophobicContact CD2-CD2 4.22Å; C746-L1246 HydrophobicContact CB-CB 4.05Å; C746-L1246 HydrophobicContact CB-CD2 4.02Å; C746-L1246 HydrophobicContact CB-CG 4.49Å; C746-L1246 CarbonylContact O-C 3.59Å; C746-L1246 VanDerWaalsContact O-CA 3.3Å; C746-L1246 WeakPolarHBondContact O-CA 3.49Å; D747-L1246 HydrophobicContact CB-CD2 4.41Å; N1243-L1246 HydrophobicContact CB-CB 4.24Å; N1243-L1246 HydrophobicContact CB-CD1 3.96Å; N1243-L1246 HydrophobicContact CB-CG 4.3Å; N1243-L1246 PolarHBondContact O-N 2.87Å; L1246-I1248 HydrophobicContact CB-CD1 4.47Å; L1246-I1248 HydrophobicContact CB-CG1 4.08Å; L1246-I1248 PolarHBondContact O-N 2.74Å |
| 1247 | S | 75.9 | Confident | 52.1 | Low | 65 Ų | 65 | 83.5 Ų | 83.5 | 46% | 0.455 | 45% | 0.449 | S | S | . | . | trans | -77 | 70 | 174.7 | 60.4 | 0 | 0 | 0 | 0 | 111.3 | C746 D1249 | C746-S1247 PolarHBondContact O-N 2.89Å; C746-S1247 PolarHBondContact O-OG 3.12Å; S1247-D1249 PolarHBondContact O-N 2.89Å | ||
| 1248 | I | 63.6 | Low | 51.7 | Low | 64 Ų | 64 | 80.2 Ų | 80.2 | 33% | 0.328 | 44% | 0.439 | S | S | . | . | trans | -78 | 108 | 175 | -58.4 | -178.1 | 0 | 0 | 0 | 108.6 | D1143 N1243 L1246 | D1143-I1248 HydrophobicContact CB-CD1 3.87Å; N1243-I1248 HydrophobicContact CB-CD1 3.63Å; L1246-I1248 HydrophobicContact CB-CD1 4.47Å; L1246-I1248 HydrophobicContact CB-CG1 4.08Å; L1246-I1248 PolarHBondContact O-N 2.74Å | ||
| 1249 | D | 49 | Very low | 50.9 | Low | 56 Ų | 56 | 83.4 Ų | 83.4 | 30% | 0.299 | 45% | 0.445 | S | S | . | . | trans | -28 | 132.8 | -177 | -83.3 | -67.5 | 0 | 0 | 0 | 116.7 | S1247 K1251 | S1247-D1249 PolarHBondContact O-N 2.89Å; D1249-K1251 HydrophobicContact CB-CB 3.69Å; D1249-K1251 HydrophobicContact CB-CD 3.74Å; D1249-K1251 HydrophobicContact CB-CG 3.62Å; D1249-K1251 PolarHBondContact O-N 3.06Å; D1249-K1251 VanDerWaalsContact O-N 3.07Å; D1249-K1251 WeakPolarHBondContact OD1-CE 3.44Å; D1249-K1251 IonicContact OD1-NZ 3.66Å; D1249-K1251 VanDerWaalsContact OD2-CD 3.3Å; D1249-K1251 WeakPolarHBondContact OD2-CD 3.42Å; D1249-K1251 WeakPolarHBondContact OD2-CE 3.18Å; D1249-K1251 IonicContact OD2-NZ 3.36Å; D1249-K1251 PolarHBondContact OD2-NZ 2.9Å | ||
| 1250 | S | 34.9 | Very low | 49.9 | Very low | 113 Ų | 113 | 80.7 Ų | 80.7 | 79% | 0.79 | 45% | 0.452 | S | S | * | . | S | Bend | 53.4 | -7 | 58.2 | -53.4 | 0 | 0 | 0 | 0 | 116.1 | |||
| 1251 | K | 35.1 | Very low | 48.3 | Very low | 87 Ų | 87 | 87.4 Ų | 87.4 | 38% | 0.378 | 48% | 0.479 | S | S | . | . | trans | -130.1 | 2.4 | -175.5 | -67.8 | 168.9 | -168.8 | 155.2 | 0 | 113.1 | E1137 D1249 P1253 | E1137-K1251 IonicContact OE2-NZ 2.77Å; E1137-K1251 PolarHBondContact OE2-NZ 2.82Å; D1249-K1251 HydrophobicContact CB-CB 3.69Å; D1249-K1251 HydrophobicContact CB-CD 3.74Å; D1249-K1251 HydrophobicContact CB-CG 3.62Å; D1249-K1251 PolarHBondContact O-N 3.06Å; D1249-K1251 VanDerWaalsContact O-N 3.07Å; D1249-K1251 WeakPolarHBondContact OD1-CE 3.44Å; D1249-K1251 IonicContact OD1-NZ 3.66Å; D1249-K1251 VanDerWaalsContact OD2-CD 3.3Å; D1249-K1251 WeakPolarHBondContact OD2-CD 3.42Å; D1249-K1251 WeakPolarHBondContact OD2-CE 3.18Å; D1249-K1251 IonicContact OD2-NZ 3.36Å; D1249-K1251 PolarHBondContact OD2-NZ 2.9Å; K1251-P1253 VanDerWaalsContact O-CD 3.28Å; K1251-P1253 WeakPolarHBondContact O-CD 3.33Å | ||
| 1252 | I | 28.7 | Very low | 46.5 | Very low | 120 Ų | 120 | 88.2 Ų | 88.2 | 62% | 0.615 | 49% | 0.487 | S | S | * | . | trans | -103.3 | 104.5 | -174.6 | -58.8 | 178.7 | 0 | 0 | 0 | 111.8 | V1254 | I1252-V1254 HydrophobicContact CG2-CB 3.92Å; I1252-V1254 HydrophobicContact CG2-CG2 3.41Å; I1252-V1254 VanDerWaalsContact CG2-CG2 3.41Å; I1252-V1254 PolarHBondContact O-N 2.75Å | ||
| 1253 | P | 21.8 | Very low | 44.1 | Very low | 126 Ų | 126 | 95.7 Ų | 95.7 | 82% | 0.818 | 53% | 0.527 | S | S | * | . | trans | -81.2 | 58.2 | 176.5 | 34.4 | -37 | 0 | 0 | 0 | 112.6 | K1251 N1255 | K1251-P1253 VanDerWaalsContact O-CD 3.28Å; K1251-P1253 WeakPolarHBondContact O-CD 3.33Å; P1253-N1255 PolarHBondContact O-N 2.92Å | ||
| 1254 | V | 28 | Very low | 41.8 | Very low | 101 Ų | 101 | 101.6 Ų | 101.6 | 61% | 0.612 | 56% | 0.556 | S | S | * | * | trans | -84.1 | 92.5 | 176.7 | 163.7 | 0 | 0 | 0 | 0 | 110.4 | I1252 C1256 | I1252-V1254 HydrophobicContact CG2-CB 3.92Å; I1252-V1254 HydrophobicContact CG2-CG2 3.41Å; I1252-V1254 VanDerWaalsContact CG2-CG2 3.41Å; I1252-V1254 PolarHBondContact O-N 2.75Å; V1254-C1256 HydrophobicContact CG1-CB 4.35Å; V1254-C1256 WeakPolarHBondContact CG1-SG 3.48Å; V1254-C1256 PolarHBondContact O-N 2.72Å; V1254-C1256 VanDerWaalsContact O-N 3.08Å | ||
| 1255 | N | 27 | Very low | 39.2 | Very low | 143 Ų | 143 | 104.2 Ų | 104.2 | 77% | 0.765 | 57% | 0.569 | S | S | * | * | trans | -70.2 | 96.9 | 179.3 | -175.8 | -5.2 | 0 | 0 | 0 | 111.5 | P1253 | P1253-N1255 PolarHBondContact O-N 2.92Š| ||
| 1256 | C | 25.5 | Very low | 36.5 | Very low | 99 Ų | 99 | 108 Ų | 108 | 67% | 0.669 | 60% | 0.596 | S | S | * | * | trans | -119.6 | 40 | -170 | -93.5 | 0 | 0 | 0 | 0 | 115.1 | V1254 | V1254-C1256 HydrophobicContact CG1-CB 4.35Å; V1254-C1256 WeakPolarHBondContact CG1-SG 3.48Å; V1254-C1256 PolarHBondContact O-N 2.72Å; V1254-C1256 VanDerWaalsContact O-N 3.08Å | ||
| 1257 | N | 28.5 | Very low | 34 | Very low | 98 Ų | 98 | 112.8 Ų | 112.8 | 52% | 0.524 | 63% | 0.626 | S | S | . | * | trans | -67 | 157.9 | 173.5 | -85.3 | -31.7 | 0 | 0 | 0 | 114.1 | K51 | K51-N1257 PolarHBondContact NZ-O 2.97Š| ||
| 1258 | D | 30.5 | Very low | 31.8 | Very low | 90 Ų | 90 | 118 Ų | 118 | 48% | 0.481 | 64% | 0.636 | S | S | . | * | trans | 61.9 | 140 | 168.9 | -85.3 | 38.1 | 0 | 0 | 0 | 120.1 | K51 | K51-D1258 VanDerWaalsContact CE-O 3.22Å; K51-D1258 WeakPolarHBondContact CE-O 3.44Å; K51-D1258 PolarHBondContact NZ-O 3.35Å | ||
| 1259 | R | 29.3 | Very low | 30.2 | Very low | 200 Ų | 200 | 119.5 Ų | 119.5 | 76% | 0.755 | 64% | 0.644 | S | S | * | * | cis | -163.3 | 135.8 | -30.9 | -142.3 | 179.3 | -75 | -137.4 | -9.5 | 107.5 | ||||
| 1260 | G | 30.7 | Very low | 29.4 | Very low | 65 Ų | 65 | 124.4 Ų | 124.4 | 67% | 0.67 | 67% | 0.67 | S | S | * | * | trans | 172.3 | 119.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1261 | K | 29.2 | Very low | 29.2 | Very low | 184 Ų | 184 | 127.4 Ų | 127.4 | 80% | 0.8 | 67% | 0.669 | S | S | * | * | trans | -76.3 | 145 | -177.8 | -63.7 | 173.9 | 179.2 | 177.1 | 0 | 110.7 | ||||
| 1262 | D | 30.1 | Very low | 28.9 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 61% | 0.61 | 68% | 0.676 | S | S | * | * | -169.6 | 146.3 | 127.9 | -97.3 | -19.3 | 0 | 0 | 0 | 110.6 | |||||
| 1263 | N | 28.4 | Very low | 29.1 | Very low | 158 Ų | 158 | 130.1 Ų | 130.1 | 85% | 0.845 | 68% | 0.684 | S | S | * | * | trans | -98.1 | 112 | -162.5 | -61 | -45.7 | 0 | 0 | 0 | 112.6 | ||||
| 1264 | I | 29.6 | Very low | 29.5 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 80% | 0.795 | 68% | 0.684 | S | S | * | * | trans | -134 | 95.1 | 165.3 | -55.2 | -177.5 | 0 | 0 | 0 | 111.2 | V1266 | I1264-V1266 WeakPolarHBondContact O-CG2 3.41Å; I1264-V1266 PolarHBondContact O-N 3.14Å; I1264-V1266 VanDerWaalsContact O-N 3.15Å | ||
| 1265 | D | 28.4 | Very low | 29.5 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 51% | 0.508 | 69% | 0.691 | S | S | . | * | trans | 0.2 | 80.7 | 161.2 | -163.4 | 20.5 | 0 | 0 | 0 | 119.5 | T1267 R1268 | D1265-T1267 PolarHBondContact OD1-OG1 2.67Å; D1265-R1268 IonicContact OD2-CZ 3.89Å; D1265-R1268 IonicContact OD2-NE 3.39Å; D1265-R1268 PolarHBondContact OD2-NE 2.9Å; D1265-R1268 IonicContact OD2-NH2 3.98Å | ||
| 1266 | V | 28.8 | Very low | 29.5 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | trans | -94.7 | 6.2 | 167.9 | -162.1 | 0 | 0 | 0 | 0 | 112.3 | I1264 R1268 | I1264-V1266 WeakPolarHBondContact O-CG2 3.41Å; I1264-V1266 PolarHBondContact O-N 3.14Å; I1264-V1266 VanDerWaalsContact O-N 3.15Å; V1266-R1268 PolarHBondContact O-N 3.07Å | ||
| 1267 | T | 31 | Very low | 29.6 | Very low | 115 Ų | 115 | 126.4 Ų | 126.4 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 6.4 | -169.2 | 67.5 | 0 | 0 | 0 | 0 | 115.9 | D1265 | D1265-T1267 PolarHBondContact OD1-OG1 2.67Š|
| 1268 | R | 29.5 | Very low | 29.5 | Very low | 175 Ų | 175 | 129.7 Ų | 129.7 | 66% | 0.66 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -2.7 | -166.8 | -72.4 | -169.6 | -175.1 | -162.7 | -0.3 | 117.2 | D1265 V1266 | D1265-R1268 IonicContact OD2-CZ 3.89Å; D1265-R1268 IonicContact OD2-NE 3.39Å; D1265-R1268 PolarHBondContact OD2-NE 2.9Å; D1265-R1268 IonicContact OD2-NH2 3.98Å; V1266-R1268 PolarHBondContact O-N 3.07Å |
| 1269 | L | 29.9 | Very low | 29.3 | Very low | 95 Ų | 95 | 126.9 Ų | 126.9 | 50% | 0.497 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -112.5 | -27 | -169.3 | -91.5 | 147 | 0 | 0 | 0 | 116.6 | K1271 | L1269-K1271 PolarHBondContact O-N 3.05Š|
| 1270 | N | 31.8 | Very low | 29.1 | Very low | 158 Ų | 158 | 126.5 Ų | 126.5 | 85% | 0.845 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -81.8 | 29.3 | 179.1 | -64.9 | 11.1 | 0 | 0 | 0 | 112.9 | ||
| 1271 | K | 31.1 | Very low | 28.9 | Very low | 176 Ų | 176 | 127.3 Ų | 127.3 | 77% | 0.765 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -130.9 | 24.2 | -167.1 | -145 | 167.6 | -168.9 | 166.6 | 0 | 114.3 | L1269 | L1269-K1271 PolarHBondContact O-N 3.05Š|
| 1272 | H | 30.2 | Very low | 29 | Very low | 114 Ų | 114 | 125 Ų | 125 | 53% | 0.528 | 67% | 0.671 | S | S | . | * | S | Bend | trans | -132.4 | 8.3 | -175.4 | -136.9 | -64.3 | 0 | 0 | 0 | 115 | ||
| 1273 | L | 31.1 | Very low | 28.8 | Very low | 150 Ų | 150 | 127 Ų | 127 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -127.1 | 23.8 | 178.4 | -152.1 | 77.3 | 0 | 0 | 0 | 113.4 | ||
| 1274 | V | 30.7 | Very low | 29 | Very low | 133 Ų | 133 | 129 Ų | 129 | 81% | 0.806 | 68% | 0.681 | S | S | * | * | trans | -141.9 | 74 | 170.8 | -171.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1275 | V | 27.4 | Very low | 28.8 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 76% | 0.764 | 68% | 0.678 | S | S | * | * | trans | -138.6 | 37 | 177 | -156 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1276 | V | 28.5 | Very low | 29 | Very low | 69 Ų | 69 | 133.6 Ų | 133.6 | 42% | 0.418 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -129.9 | 141.4 | 156.7 | -175.1 | 0 | 0 | 0 | 0 | 106.5 | ||
| 1277 | S | 27.1 | Very low | 28.8 | Very low | 64 Ų | 64 | 137.3 Ų | 137.3 | 45% | 0.448 | 70% | 0.704 | S | S | . | * | S | Bend | trans | 74.8 | 82.8 | -175.1 | -53.9 | 0 | 0 | 0 | 0 | 117 | ||
| 1278 | N | 26.7 | Very low | 28.6 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 89% | 0.888 | 71% | 0.709 | S | S | * | * | -176.6 | 103.6 | 120.3 | -93.6 | -27.8 | 0 | 0 | 0 | 110.7 | |||||
| 1279 | G | 26.6 | Very low | 28.6 | Very low | 31 Ų | 31 | 137.7 Ų | 137.7 | 32% | 0.32 | 71% | 0.714 | S | S | . | * | trans | -148.1 | 102.6 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | N649 | N649-G1279 PolarHBondContact ND2-O 2.85Š| ||
| 1280 | F | 25 | Very low | 28.5 | Very low | 193 Ų | 193 | 138.5 Ų | 138.5 | 85% | 0.846 | 72% | 0.723 | S | S | * | * | trans | 77.7 | 156.7 | 160.8 | -72.1 | -84.2 | 0 | 0 | 0 | 121.4 | ||||
| 1281 | T | 26.9 | Very low | 28.4 | Very low | 81 Ų | 81 | 139.1 Ų | 139.1 | 50% | 0.497 | 72% | 0.721 | S | S | . | * | trans | 80.7 | 133.2 | 168.8 | 71.7 | 0 | 0 | 0 | 0 | 116.4 | L646 | L646-T1281 HydrophobicContact CD1-CG2 4.28Å; L646-T1281 HydrophobicContact CG-CG2 4.49Å | ||
| 1282 | T | 30.9 | Very low | 28.4 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 83% | 0.828 | 72% | 0.722 | S | S | * | * | cis | -152.9 | 165.6 | -8.5 | -2.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1283 | E | 26.3 | Very low | 28.4 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | trans | -68.7 | 149.1 | 169.3 | -50.4 | -176.9 | 145.6 | 0 | 0 | 112.5 | K1285 | E1283-K1285 IonicContact OE2-NZ 3.42Š| ||
| 1284 | E | 30.8 | Very low | 28.5 | Very low | 198 Ų | 198 | 135 Ų | 135 | 93% | 0.925 | 73% | 0.729 | S | S | * | * | trans | -142.7 | 157.8 | 144.8 | -137.4 | 174 | -155.2 | 0 | 0 | 112.2 | ||||
| 1285 | K | 26.4 | Very low | 28.6 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 73% | 0.726 | 72% | 0.718 | S | S | * | * | trans | -125.6 | 124.7 | -165.6 | -71.5 | 168.1 | 177.9 | 148.3 | 0 | 112.2 | E1283 | E1283-K1285 IonicContact OE2-NZ 3.42Š| ||
| 1286 | I | 32.4 | Very low | 28.9 | Very low | 181 Ų | 181 | 136.9 Ų | 136.9 | 93% | 0.928 | 72% | 0.72 | S | S | * | * | trans | -129.7 | 152.1 | 158.2 | -68.2 | -174.5 | 0 | 0 | 0 | 110.1 | ||||
| 1287 | K | 24.4 | Very low | 29.1 | Very low | 198 Ų | 198 | 137.7 Ų | 137.7 | 86% | 0.861 | 73% | 0.729 | S | S | * | * | trans | -112.6 | 140 | -171.5 | -107.9 | -177.6 | 175.6 | 178.5 | 0 | 111.6 | ||||
| 1288 | C | 26.7 | Very low | 29.4 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | trans | 174.3 | 154.2 | 140.4 | -97.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1289 | K | 29 | Very low | 29.6 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 78% | 0.778 | 73% | 0.733 | S | S | * | * | cis | 163.5 | 115.8 | -19.4 | -116.5 | -168.7 | 173.7 | -171.4 | 0 | 104 | ||||
| 1290 | T | 27.6 | Very low | 29.9 | Very low | 112 Ų | 112 | 144 Ų | 144 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | trans | 55.1 | 154.6 | 156.9 | 28.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1291 | E | 30.7 | Very low | 30.2 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | cis | -147 | -164.9 | 26.7 | -133.3 | 141.3 | -108.8 | 0 | 0 | 113.9 | ||||
| 1292 | N | 30.5 | Very low | 30.5 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | trans | -125.2 | 154.7 | -156 | -42.6 | -76.2 | 0 | 0 | 0 | 117.4 | ||||
| 1293 | A | 31.7 | Very low | 30.7 | Very low | 86 Ų | 86 | 143.2 Ų | 143.2 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | -171.4 | 118.1 | 143.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1294 | T | 31.9 | Very low | 31 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | 69.6 | 134.8 | 63.2 | 67.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1295 | T | 33.6 | Very low | 31 | Very low | 94 Ų | 94 | 138 Ų | 138 | 58% | 0.577 | 74% | 0.739 | S | S | * | * | cis | -166 | 165.9 | 22.4 | -15.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1296 | Y | 33.6 | Very low | 31.2 | Very low | 203 Ų | 203 | 136.3 Ų | 136.3 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | 66.6 | 127.3 | 161.8 | -52.9 | -53.4 | 0 | 0 | 0 | 118.7 | ||||
| 1297 | S | 32.4 | Very low | 31 | Very low | 87 Ų | 87 | 133.9 Ų | 133.9 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | cis | 79.7 | 136.8 | 39.2 | 84 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1298 | N | 33.7 | Very low | 31.3 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | cis | -164.6 | -172.5 | 33.7 | -101.9 | -36.3 | 0 | 0 | 0 | 109.5 | ||||
| 1299 | N | 30.1 | Very low | 31.5 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | cis | -172.3 | 179.6 | -42.2 | -148.7 | -43.8 | 0 | 0 | 0 | 109.4 | ||||
| 1300 | T | 34 | Very low | 31.6 | Very low | 125 Ų | 125 | 129.8 Ų | 129.8 | 77% | 0.767 | 72% | 0.715 | S | S | * | * | trans | 64.9 | 162.5 | 171.5 | 65 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1301 | S | 31.1 | Very low | 31.5 | Very low | 95 Ų | 95 | 129.8 Ų | 129.8 | 66% | 0.664 | 72% | 0.719 | S | S | * | * | 169.5 | 136.2 | -57.9 | 53.1 | 0 | 0 | 0 | 0 | 110 | |||||
| 1302 | I | 32.5 | Very low | 31.3 | Very low | 156 Ų | 156 | 130.1 Ų | 130.1 | 80% | 0.8 | 72% | 0.721 | S | S | * | * | trans | 166.1 | 120.7 | 147.1 | -92.1 | 161 | 0 | 0 | 0 | 114.9 | ||||
| 1303 | I | 35.3 | Very low | 31.3 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 72% | 0.723 | 72% | 0.715 | S | S | * | * | trans | 67.5 | 113.1 | 137.1 | -62.4 | -178.7 | 0 | 0 | 0 | 123 | ||||
| 1304 | D | 32.5 | Very low | 31.2 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | trans | 82.2 | 126.2 | 134 | -75.2 | 26.4 | 0 | 0 | 0 | 128.2 | ||||
| 1305 | N | 31.8 | Very low | 30.9 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 63% | 0.631 | 72% | 0.724 | S | S | * | * | trans | 83.4 | 113 | 133.6 | -73.7 | -40.4 | 0 | 0 | 0 | 123.3 | ||||
| 1306 | N | 29.7 | Very low | 30.6 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | trans | 56.4 | 99.1 | 137.2 | -54.5 | -37.4 | 0 | 0 | 0 | 118 | ||||
| 1307 | N | 29.1 | Very low | 30.3 | Very low | 130 Ų | 130 | 135 Ų | 135 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | -163.1 | 148.6 | 65.9 | -102.7 | -86.4 | 0 | 0 | 0 | 114.5 | |||||
| 1308 | K | 30.6 | Very low | 30.2 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | trans | 47.7 | 116.4 | 144.6 | -68.5 | 173.6 | -176.3 | 173.9 | 0 | 119.9 | ||||
| 1309 | N | 29.5 | Very low | 29.8 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | trans | 84 | 96.6 | 147 | -54.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1310 | S | 31.2 | Very low | 29.7 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | trans | 40.6 | 97.5 | 130.1 | 59 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1311 | S | 25.8 | Very low | 29.5 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | cis | 50 | 71.2 | 32.3 | 90.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1312 | E | 26.5 | Very low | 29.4 | Very low | 178 Ų | 178 | 133.3 Ų | 133.3 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | -166.1 | 147.8 | 127.4 | -107.6 | 170.5 | 178 | 0 | 0 | 112.5 | V1314 | E1312-V1314 PolarHBondContact O-N 3.48Š| |||
| 1313 | L | 30.9 | Very low | 29.2 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 65% | 0.654 | 71% | 0.707 | S | S | * | * | trans | 55.5 | 51.1 | 159.5 | -67.5 | 162.3 | 0 | 0 | 0 | 119.1 | K1315 | L1313-K1315 PolarHBondContact O-N 2.96Š| ||
| 1314 | V | 28.8 | Very low | 29.2 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 90% | 0.897 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -76.1 | 65.1 | 148.2 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | E1312 | E1312-V1314 PolarHBondContact O-N 3.48Š|
| 1315 | K | 26.6 | Very low | 29.5 | Very low | 173 Ų | 173 | 130.6 Ų | 130.6 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -171.8 | 152.5 | 174.2 | -100.2 | 146.7 | -174.3 | 178 | 0 | 107.8 | L1313 | L1313-K1315 PolarHBondContact O-N 2.96Š|
| 1316 | N | 27.1 | Very low | 29.9 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 59% | 0.594 | 72% | 0.723 | S | S | * | * | trans | 85.7 | 6.6 | 176.5 | -49.9 | -11.4 | 0 | 0 | 0 | 118.6 | S1318 | N1316-S1318 PolarHBondContact O-N 3.19Š| ||
| 1317 | H | 28 | Very low | 30.7 | Very low | 196 Ų | 196 | 132.1 Ų | 132.1 | 91% | 0.907 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 56.5 | 157.4 | -88.6 | -63.1 | 0 | 0 | 0 | 111.3 | ||
| 1318 | S | 29.1 | Very low | 31.9 | Very low | 83 Ų | 83 | 127.5 Ų | 127.5 | 58% | 0.58 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.1 | 14.4 | -170.4 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | N1316 | N1316-S1318 PolarHBondContact O-N 3.19Š|
| 1319 | L | 26.7 | Very low | 33.2 | Very low | 130 Ų | 130 | 124.4 Ų | 124.4 | 68% | 0.681 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -132.2 | 4.2 | -172.1 | -68.4 | 175.3 | 0 | 0 | 0 | 115.2 | S1322 | L1319-S1322 PolarHBondContact O-OG 2.91Š|
| 1320 | L | 27.4 | Very low | 34.6 | Very low | 141 Ų | 141 | 119 Ų | 119 | 74% | 0.738 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -125.5 | -20.2 | 178.9 | -82.3 | 164.1 | 0 | 0 | 0 | 114.5 | S1322 S1323 | L1320-S1322 PolarHBondContact O-N 3.34Å; L1320-S1323 PolarHBondContact O-N 3.31Å; L1320-S1323 PolarHBondContact O-OG 3.4Å |
| 1321 | S | 28.7 | Very low | 36.4 | Very low | 101 Ų | 101 | 115.5 Ų | 115.5 | 71% | 0.706 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -1.7 | 170.3 | -38.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1322 | S | 29.7 | Very low | 38.7 | Very low | 86 Ų | 86 | 112.4 Ų | 112.4 | 60% | 0.601 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -4.7 | -178.8 | 45.6 | 0 | 0 | 0 | 0 | 114.2 | L1319 L1320 | L1319-S1322 PolarHBondContact O-OG 2.91Å; L1320-S1322 PolarHBondContact O-N 3.34Å |
| 1323 | S | 29.4 | Very low | 41.2 | Very low | 70 Ų | 70 | 107 Ų | 107 | 49% | 0.49 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -97.1 | -33 | -170.3 | 58 | 0 | 0 | 0 | 0 | 115.1 | L1320 | L1320-S1323 PolarHBondContact O-N 3.31Å; L1320-S1323 PolarHBondContact O-OG 3.4Å |
| 1324 | L | 34.1 | Very low | 43.8 | Very low | 162 Ų | 162 | 101.4 Ų | 101.4 | 85% | 0.848 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -20.1 | 175.4 | -90.7 | 68.1 | 0 | 0 | 0 | 113.1 | R1326 | L1324-R1326 PolarHBondContact O-N 3.06Š|
| 1325 | N | 38.6 | Very low | 46.5 | Very low | 137 Ų | 137 | 95.9 Ų | 95.9 | 73% | 0.733 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 26.2 | 173.8 | -73.5 | -3.9 | 0 | 0 | 0 | 112.7 | P1327 | N1325-P1327 VanDerWaalsContact O-CD 3.29Å; N1325-P1327 WeakPolarHBondContact O-CD 3.24Å |
| 1326 | R | 41.3 | Very low | 49.5 | Very low | 214 Ų | 214 | 87.6 Ų | 87.6 | 81% | 0.808 | 49% | 0.489 | S | S | * | . | trans | -80.8 | 115.8 | 174.5 | -163.3 | 177.8 | -164.2 | -161.3 | 2.8 | 108.4 | L1324 C1328 | L1324-R1326 PolarHBondContact O-N 3.06Å; R1326-C1328 PolarHBondContact O-N 2.8Å | ||
| 1327 | P | 46.1 | Very low | 52.5 | Low | 67 Ų | 67 | 83.7 Ų | 83.7 | 44% | 0.435 | 47% | 0.469 | S | S | . | . | trans | -53 | 133.9 | 171.5 | 18.6 | -29.6 | 0 | 0 | 0 | 109.7 | N1325 H1331 | N1325-P1327 VanDerWaalsContact O-CD 3.29Å; N1325-P1327 WeakPolarHBondContact O-CD 3.24Å; P1327-H1331 HydrophobicContact CB-CB 3.62Å | ||
| 1328 | C | 54 | Low | 55.5 | Low | 33 Ų | 33 | 74.4 Ų | 74.4 | 22% | 0.223 | 43% | 0.426 | C | S | . | . | trans | -62.9 | 163 | 173.8 | 97.6 | 0 | 0 | 0 | 0 | 109.8 | R1326 R1330 H1331 | R1326-C1328 PolarHBondContact O-N 2.8Å; C1328-R1330 PolarHBondContact O-N 3.31Å; C1328-R1330 PolarHBondContact SG-N 3.34Å; C1328-H1331 PolarHBondContact O-N 3.27Å; C1328-H1331 VanDerWaalsContact SG-CE1 3.6Å; C1328-H1331 PolarHBondContact SG-ND1 3.22Å | ||
| 1329 | S | 58.2 | Low | 58.3 | Low | 107 Ų | 107 | 71.6 Ų | 71.6 | 75% | 0.748 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -18.5 | -177.1 | 52.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1330 | R | 59.7 | Low | 61 | Low | 26 Ų | 26 | 68.3 Ų | 68.3 | 10% | 0.098 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 3.1 | 178.3 | -51.3 | -177.4 | -178.7 | -154.4 | -0.7 | 114.2 | C1328 Y1441 A1442 D1480 | C1328-R1330 PolarHBondContact O-N 3.31Å; C1328-R1330 PolarHBondContact SG-N 3.34Å; R1330-Y1441 HydrophobicContact CB-CD2 4.07Å; R1330-Y1441 HydrophobicContact CB-CE2 3.71Å; R1330-Y1441 WeakPolarHBondContact CD-OH 3.28Å; R1330-Y1441 HydrophobicContact CG-CE2 4.41Å; R1330-Y1441 PolarHBondContact NH1-OH 2.94Å; R1330-Y1441 CarbonylContact O-C 3.56Å; R1330-Y1441 WeakPolarHBondContact O-CA 3.49Å; R1330-A1442 WeakPolarHBondContact O-CB 3.49Å; R1330-A1442 PolarHBondContact O-N 3.48Å; R1330-D1480 IonicContact CZ-OD2 3.4Å; R1330-D1480 IonicContact NE-OD2 3.32Å; R1330-D1480 PolarHBondContact NE-OD2 3.13Å; R1330-D1480 IonicContact NH2-OD2 2.84Å; R1330-D1480 PolarHBondContact NH2-OD2 3.26Å |
| 1331 | H | 67.2 | Low | 63.4 | Low | 26 Ų | 26 | 65.1 Ų | 65.1 | 12% | 0.12 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 118 | -176.9 | -70.3 | 100.9 | 0 | 0 | 0 | 111.9 | P1327 C1328 V1439 R1440 Y1441 D1485 C1486 | P1327-H1331 HydrophobicContact CB-CB 3.62Å; C1328-H1331 PolarHBondContact O-N 3.27Å; C1328-H1331 VanDerWaalsContact SG-CE1 3.6Å; C1328-H1331 PolarHBondContact SG-ND1 3.22Å; H1331-V1439 HydrophobicContact CB-CG1 3.73Å; H1331-R1440 WeakPolarHBondContact CA-O 3.28Å; H1331-Y1441 AromaticContact NE2-CD2 3.97Å; H1331-D1485 WeakPolarHBondContact NE2-CB 3.34Å; H1331-C1486 PolarHBondContact CE1-SG 3Å |
| 1332 | C | 74.7 | Confident | 65.7 | Low | 46 Ų | 46 | 63.4 Ų | 63.4 | 31% | 0.311 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 122.4 | 176.9 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | V1439 R1440 | C1332-V1439 WeakPolarHBondContact O-CA 3.42Å; C1332-R1440 PolarHBondContact N-O 3.11Å; C1332-R1440 PolarHBondContact O-N 2.88Å |
| 1333 | T | 78.6 | Confident | 67.6 | Low | 65 Ų | 65 | 65.3 Ų | 65.3 | 40% | 0.399 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 131.6 | 175.7 | -53 | 0 | 0 | 0 | 0 | 110.8 | I1408 T1437 V1438 | T1333-I1408 HydrophobicContact CG2-CD1 3.79Å; T1333-T1437 HydrophobicContact CG2-CG2 3.95Å; T1333-V1438 CarbonylContact C-O 3.58Å; T1333-V1438 VanDerWaalsContact CA-O 3.28Å; T1333-V1438 WeakPolarHBondContact CA-O 3.31Å |
| 1334 | Y | 85.3 | Confident | 69.7 | Low | 7 Ų | 7 | 64.9 Ų | 64.9 | 3% | 0.027 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 167.4 | 179.3 | 57.7 | -82.5 | 0 | 0 | 0 | 111 | V1336 L1378 L1396 Y1400 D1405 V1438 R1440 | Y1334-V1336 HydrophobicContact CD2-CG1 3.92Å; Y1334-V1336 HydrophobicContact CE2-CG1 3.9Å; Y1334-L1378 HydrophobicContact CD2-CD1 3.72Å; Y1334-L1378 HydrophobicContact CG-CD1 4.2Å; Y1334-L1396 HydrophobicContact CD1-CD2 4.22Å; Y1334-L1396 HydrophobicContact CD2-CD2 4.36Å; Y1334-L1396 HydrophobicContact CG-CD2 4.12Å; Y1334-Y1400 WeakPolarHBondContact CE2-O 3.46Å; Y1334-Y1400 PolarHBondContact OH-O 3.48Å; Y1334-D1405 PolarHBondContact OH-OD2 3.18Å; Y1334-D1405 VanDerWaalsContact OH-OD2 3.11Å; Y1334-V1438 HydrophobicContact CD2-CB 4.4Å; Y1334-V1438 HydrophobicContact CE1-CB 4.3Å; Y1334-V1438 HydrophobicContact CE1-CG1 4.28Å; Y1334-V1438 HydrophobicContact CE2-CB 3.91Å; Y1334-V1438 HydrophobicContact CE2-CG1 4.23Å; Y1334-V1438 HydrophobicContact CE2-CG2 4.31Å; Y1334-V1438 PolarHBondContact N-O 2.88Å; Y1334-V1438 PolarHBondContact O-N 2.76Å; Y1334-V1438 WeakPolarHBondContact OH-CG1 3.34Å; Y1334-R1440 HydrophobicContact CE1-CB 3.83Å; Y1334-R1440 PolarHBondContact OH-NE 3.25Å; Y1334-R1440 PolarHBondContact OH-NH2 2.76Å |
| 1335 | S | 87.2 | Confident | 72.1 | Confident | 32 Ų | 32 | 58.1 Ų | 58.1 | 22% | 0.224 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 143 | 178.1 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | I1379 L1436 T1437 | S1335-I1379 PolarHBondContact O-N 3.5Å; S1335-L1436 CarbonylContact C-O 3.41Å; S1335-L1436 VanDerWaalsContact CA-O 3.28Å; S1335-L1436 WeakPolarHBondContact CA-O 3.42Å; S1335-T1437 PolarHBondContact OG-OG1 2.91Å; S1335-T1437 VanDerWaalsContact OG-OG1 3.08Å |
| 1336 | V | 89.3 | Confident | 74.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 142.4 | 179.5 | -63 | 0 | 0 | 0 | 0 | 111.4 | Y1334 V1338 A1376 K1377 L1378 L1401 V1435 L1436 V1438 | Y1334-V1336 HydrophobicContact CD2-CG1 3.92Å; Y1334-V1336 HydrophobicContact CE2-CG1 3.9Å; V1336-V1338 HydrophobicContact CG2-CG2 4.11Å; V1336-A1376 HydrophobicContact CB-CB 4.39Å; V1336-K1377 CarbonylContact C-O 3.53Å; V1336-K1377 WeakPolarHBondContact CA-O 3.45Å; V1336-L1378 HydrophobicContact CG1-CD1 4.32Å; V1336-L1401 HydrophobicContact CG2-CD1 4.16Å; V1336-L1401 HydrophobicContact CG2-CD2 4.23Å; V1336-L1401 HydrophobicContact CG2-CG 4.07Å; V1336-V1435 CarbonylContact O-C 3.52Å; V1336-V1435 WeakPolarHBondContact O-CA 3.48Å; V1336-L1436 HydrophobicContact CG2-CB 3.98Å; V1336-L1436 PolarHBondContact N-O 2.74Å; V1336-L1436 PolarHBondContact O-N 3.07Å; V1336-V1438 HydrophobicContact CG2-CG2 4.19Å |
| 1337 | V | 90 | Very high | 76.4 | Confident | 28 Ų | 28 | 43.8 Ų | 43.8 | 17% | 0.17 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 130.6 | 163.5 | -170.1 | 0 | 0 | 0 | 0 | 108.2 | A1376 K1377 I1379 E1433 | V1337-A1376 CarbonylContact O-C 3.59Å; V1337-A1376 VanDerWaalsContact O-CA 3.23Å; V1337-A1376 WeakPolarHBondContact O-CA 3.42Å; V1337-K1377 PolarHBondContact N-O 3Å; V1337-K1377 PolarHBondContact O-N 2.92Å; V1337-I1379 HydrophobicContact CG2-CD1 3.76Å; V1337-I1379 HydrophobicContact CG2-CG1 3.57Å; V1337-E1433 HydrophobicContact CG1-CB 3.91Å; V1337-E1433 HydrophobicContact CG1-CG 4.16Å |
| 1338 | V | 89.7 | Confident | 78.3 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 113.8 | 173.8 | -165.1 | 0 | 0 | 0 | 0 | 109 | V1336 L1345 G1372 A1373 A1376 L1401 V1434 L1436 | V1336-V1338 HydrophobicContact CG2-CG2 4.11Å; V1338-L1345 HydrophobicContact CB-CD2 4.21Å; V1338-L1345 HydrophobicContact CG1-CD2 3.81Å; V1338-G1372 VanDerWaalsContact CG1-O 3.32Å; V1338-G1372 WeakPolarHBondContact CG1-O 3.31Å; V1338-A1373 HydrophobicContact CG1-CB 4.37Å; V1338-A1376 HydrophobicContact CG2-CB 4.1Å; V1338-L1401 HydrophobicContact CG2-CD1 3.87Å; V1338-V1434 PolarHBondContact N-O 2.68Å; V1338-V1434 PolarHBondContact O-N 3.2Å; V1338-L1436 HydrophobicContact CG2-CD1 3.79Å; V1338-L1436 HydrophobicContact CG2-CG 4.04Å |
| 1339 | P | 87.6 | Confident | 80 | Confident | 24 Ų | 24 | 42.2 Ų | 42.2 | 16% | 0.156 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 142.5 | 175.7 | 29.6 | -34.2 | 0 | 0 | 0 | 110.5 | G1372 Q1375 | P1339-G1372 WeakPolarHBondContact O-CA 3.18Å; P1339-Q1375 HydrophobicContact CG-CB 4.13Å |
| 1340 | K | 83.6 | Confident | 81.4 | Confident | 62 Ų | 62 | 38.9 Ų | 38.9 | 27% | 0.27 | 25% | 0.248 | S | C | . | . | trans | -89.9 | 110.4 | -179 | -160.9 | -174.8 | -168.4 | 175.2 | 0 | 110.5 | L1345 T1430 T1431 D1432 | K1340-L1345 HydrophobicContact CB-CD2 4.47Å; K1340-L1345 HydrophobicContact CG-CD1 4.48Å; K1340-L1345 HydrophobicContact CG-CD2 4.42Å; K1340-T1430 PolarHBondContact NZ-O 2.99Å; K1340-T1431 WeakPolarHBondContact CD-O 3.38Å; K1340-T1431 PolarHBondContact NZ-O 3.46Å; K1340-D1432 VanDerWaalsContact CB-O 3.23Å; K1340-D1432 WeakPolarHBondContact CB-O 3.43Å; K1340-D1432 PolarHBondContact N-O 3.26Å | ||
| 1341 | I | 79.6 | Confident | 82.6 | Confident | 73 Ų | 73 | 39.4 Ų | 39.4 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | B | Isolated β-bridge | trans | -102.7 | 98.6 | -175.3 | -57.3 | -172.8 | 0 | 0 | 0 | 109.2 | S1344 Q1375 | I1341-S1344 PolarHBondContact N-O 3.21Å; I1341-S1344 VanDerWaalsContact O-O 3.11Å; I1341-Q1375 HydrophobicContact CD1-CG 4.44Å |
| 1342 | G | 75.3 | Confident | 83 | Confident | 65 Ų | 65 | 39.2 Ų | 39.2 | 67% | 0.67 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | -141.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112 | S1344 | G1342-S1344 VanDerWaalsContact C-N 3.27Å; G1342-S1344 PolarHBondContact O-N 3.27Å |
| 1343 | S | 70.3 | Confident | 82.9 | Confident | 126 Ų | 126 | 40.3 Ų | 40.3 | 88% | 0.881 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -1 | -178.4 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1344 | S | 73.8 | Confident | 82 | Confident | 61 Ų | 61 | 37.7 Ų | 37.7 | 43% | 0.427 | 25% | 0.247 | S | C | . | . | B | Isolated β-bridge | trans | -137.9 | 155.2 | -171.8 | 84.6 | 0 | 0 | 0 | 0 | 113.1 | I1341 G1342 G1346 | I1341-S1344 PolarHBondContact N-O 3.21Å; I1341-S1344 VanDerWaalsContact O-O 3.11Å; G1342-S1344 VanDerWaalsContact C-N 3.27Å; G1342-S1344 PolarHBondContact O-N 3.27Å; S1344-G1346 PolarHBondContact OG-N 2.85Å |
| 1345 | L | 83.3 | Confident | 80.1 | Confident | 21 Ų | 21 | 43.2 Ų | 43.2 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | trans | -80.6 | -20.7 | 166.2 | -74.7 | 67.5 | 0 | 0 | 0 | 111.7 | V1338 K1340 L1347 S1371 G1372 A1373 V1427 V1434 | V1338-L1345 HydrophobicContact CB-CD2 4.21Å; V1338-L1345 HydrophobicContact CG1-CD2 3.81Å; K1340-L1345 HydrophobicContact CB-CD2 4.47Å; K1340-L1345 HydrophobicContact CG-CD1 4.48Å; K1340-L1345 HydrophobicContact CG-CD2 4.42Å; L1345-L1347 HydrophobicContact CB-CB 4.17Å; L1345-L1347 PolarHBondContact O-N 2.9Å; L1345-S1371 PolarHBondContact O-OG 2.61Å; L1345-G1372 PolarHBondContact O-N 3.13Å; L1345-A1373 WeakPolarHBondContact O-CB 3.22Å; L1345-A1373 PolarHBondContact O-N 3.3Å; L1345-V1427 HydrophobicContact CD1-CG1 3.48Å; L1345-V1427 VanDerWaalsContact CD1-CG1 3.48Å; L1345-V1427 HydrophobicContact CG-CG1 4.12Å; L1345-V1434 HydrophobicContact CD1-CG2 4.44Å; L1345-V1434 HydrophobicContact CD2-CB 4.35Å; L1345-V1434 HydrophobicContact CD2-CG2 3.92Å | ||
| 1346 | G | 84.3 | Confident | 78.3 | Confident | 8 Ų | 8 | 49.1 Ų | 49.1 | 8% | 0.082 | 29% | 0.291 | C | S | . | . | trans | 66 | 22.1 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1344 N1368 | S1344-G1346 PolarHBondContact OG-N 2.85Å; G1346-N1368 PolarHBondContact O-N 3.32Å | ||
| 1347 | L | 86.5 | Confident | 76.7 | Confident | 41 Ų | 41 | 51.9 Ų | 51.9 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126.6 | 173.5 | -169 | 67.8 | 0 | 0 | 0 | 109.7 | L1345 I1349 V1364 I1367 A1373 L1401 L1407 L1436 | L1345-L1347 HydrophobicContact CB-CB 4.17Å; L1345-L1347 PolarHBondContact O-N 2.9Å; L1347-I1349 HydrophobicContact CD2-CG2 4.01Å; L1347-I1349 HydrophobicContact CG-CG2 4.07Å; L1347-V1364 HydrophobicContact CD1-CB 4.45Å; L1347-V1364 HydrophobicContact CD1-CG1 3.65Å; L1347-V1364 HydrophobicContact CD1-CG2 3.97Å; L1347-I1367 HydrophobicContact CD1-CG1 3.97Å; L1347-A1373 HydrophobicContact CB-CB 3.98Å; L1347-A1373 HydrophobicContact CD1-CB 4.06Å; L1347-L1401 HydrophobicContact CD1-CD1 4.48Å; L1347-L1407 HydrophobicContact CD2-CD1 4.19Å; L1347-L1436 HydrophobicContact CD2-CD1 3.84Å |
| 1348 | S | 87.2 | Confident | 75.3 | Confident | 50 Ų | 50 | 58.7 Ų | 58.7 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 128.4 | 169.9 | -170.4 | 0 | 0 | 0 | 0 | 109.5 | R1365 G1366 | S1348-R1365 PolarHBondContact O-N 3.41Å; S1348-G1366 PolarHBondContact N-O 2.84Å; S1348-G1366 PolarHBondContact O-N 2.84Å |
| 1349 | I | 89 | Confident | 74 | Confident | 18 Ų | 18 | 61.7 Ų | 61.7 | 9% | 0.092 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 153.4 | -179.5 | 61.8 | 172.2 | 0 | 0 | 0 | 111.5 | L1347 I1362 Y1363 L1407 Q1420 L1424 | L1347-I1349 HydrophobicContact CD2-CG2 4.01Å; L1347-I1349 HydrophobicContact CG-CG2 4.07Å; I1349-I1362 HydrophobicContact CB-CG2 3.91Å; I1349-I1362 HydrophobicContact CD1-CG2 3.86Å; I1349-I1362 HydrophobicContact CG1-CG2 4.38Å; I1349-I1362 HydrophobicContact CG2-CG2 4.27Å; I1349-Y1363 CarbonylContact C-O 3.51Å; I1349-Y1363 VanDerWaalsContact CA-O 3.29Å; I1349-Y1363 WeakPolarHBondContact CA-O 3.43Å; I1349-L1407 HydrophobicContact CG2-CD1 3.88Å; I1349-Q1420 HydrophobicContact CD1-CG 4.39Å; I1349-Q1420 HydrophobicContact CG1-CG 4.44Å; I1349-Q1420 PolarHBondContact O-NE2 3.31Å; I1349-L1424 HydrophobicContact CD1-CD2 4.06Å; I1349-L1424 HydrophobicContact CD1-CG 4.18Å; I1349-L1424 HydrophobicContact CG1-CD2 4.49Å |
| 1350 | V | 86.8 | Confident | 73.1 | Confident | 37 Ų | 37 | 62.9 Ų | 62.9 | 22% | 0.224 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 135.6 | 173.1 | 65.6 | 0 | 0 | 0 | 0 | 110 | Y1363 R1365 | V1350-Y1363 PolarHBondContact N-O 3.47Å; V1350-Y1363 PolarHBondContact O-N 2.88Å; V1350-R1365 HydrophobicContact CB-CB 4.33Å; V1350-R1365 HydrophobicContact CG1-CB 4.15Å |
| 1351 | A | 84.5 | Confident | 73 | Confident | 36 Ų | 36 | 60.1 Ų | 60.1 | 30% | 0.298 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 127.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | L1360 G1361 Q1420 | A1351-L1360 HydrophobicContact CB-CD2 4.07Å; A1351-G1361 WeakPolarHBondContact CA-O 3.44Å; A1351-Q1420 HydrophobicContact CB-CB 4.18Å |
| 1352 | A | 77.2 | Confident | 73.3 | Confident | 22 Ų | 22 | 56.8 Ų | 56.8 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 149 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | G1361 Y1363 | A1352-G1361 PolarHBondContact N-O 3.09Å; A1352-G1361 PolarHBondContact O-N 2.81Å; A1352-Y1363 HydrophobicContact CB-CD2 3.89Å; A1352-Y1363 HydrophobicContact CB-CE2 3.87Å |
| 1353 | I | 72.4 | Confident | 74 | Confident | 69 Ų | 69 | 53.9 Ų | 53.9 | 35% | 0.354 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 138.5 | -178.3 | -52.1 | 176.4 | 0 | 0 | 0 | 107.6 | D1359 L1360 | I1353-D1359 WeakPolarHBondContact CA-O 3.47Å; I1353-L1360 HydrophobicContact CD1-CD1 4.2Å; I1353-L1360 HydrophobicContact CG1-CD1 4.01Å; I1353-L1360 HydrophobicContact CG1-CG 4.04Å |
| 1354 | S | 60 | Low | 74.9 | Confident | 10 Ų | 10 | 48 Ų | 48 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | trans | -59.7 | 154.2 | 172.1 | 60.2 | 0 | 0 | 0 | 0 | 112.2 | Y1356 G1357 E1358 D1359 | S1354-Y1356 PolarHBondContact O-N 3.05Å; S1354-G1357 PolarHBondContact O-N 2.91Å; S1354-E1358 PolarHBondContact OG-N 3.44Å; S1354-D1359 PolarHBondContact N-O 2.78Å; S1354-D1359 PolarHBondContact OG-N 2.93Å | ||
| 1355 | E | 44.7 | Very low | 75.7 | Confident | 123 Ų | 123 | 51.5 Ų | 51.5 | 58% | 0.575 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -30.2 | 180 | -59 | -176.8 | 149.1 | 0 | 0 | 113.8 | ||
| 1356 | Y | 48.8 | Very low | 75.8 | Confident | 157 Ų | 157 | 51 Ų | 51 | 62% | 0.616 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -4.2 | 178.6 | -51.4 | -61.2 | 0 | 0 | 0 | 114.3 | S1354 E1358 I1484 | S1354-Y1356 PolarHBondContact O-N 3.05Å; Y1356-E1358 PolarHBondContact O-N 3.1Å; Y1356-I1484 HydrophobicContact CD2-CD1 3.75Å; Y1356-I1484 HydrophobicContact CD2-CG1 4.4Å; Y1356-I1484 HydrophobicContact CE2-CD1 3.78Å; Y1356-I1484 HydrophobicContact CE2-CG1 4.05Å |
| 1357 | G | 57 | Low | 76 | Confident | 57 Ų | 57 | 52.5 Ų | 52.5 | 59% | 0.588 | 28% | 0.279 | S | S | * | . | S | Bend | trans | 74 | 4.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115.6 | S1354 | S1354-G1357 PolarHBondContact O-N 2.91Š|
| 1358 | E | 59.6 | Low | 75.9 | Confident | 171 Ų | 171 | 54.9 Ų | 54.9 | 80% | 0.799 | 29% | 0.292 | S | S | * | . | trans | -87 | -29.7 | -169.1 | -61 | -165.2 | 143.7 | 0 | 0 | 114.6 | S1354 Y1356 | S1354-E1358 PolarHBondContact OG-N 3.44Å; Y1356-E1358 PolarHBondContact O-N 3.1Å | ||
| 1359 | D | 62.2 | Low | 75.7 | Confident | 64 Ų | 64 | 58.3 Ų | 58.3 | 34% | 0.342 | 31% | 0.313 | S | S | . | . | trans | -129.4 | 141.8 | -178.3 | -168.1 | 23.1 | 0 | 0 | 0 | 112.5 | I1353 S1354 R1406 | I1353-D1359 WeakPolarHBondContact CA-O 3.47Å; S1354-D1359 PolarHBondContact N-O 2.78Å; S1354-D1359 PolarHBondContact OG-N 2.93Å; D1359-R1406 IonicContact OD1-NH2 2.82Å; D1359-R1406 IonicContact OD2-CZ 3.83Å; D1359-R1406 IonicContact OD2-NH1 2.76Å; D1359-R1406 PolarHBondContact OD2-NH1 3.08Å; D1359-R1406 IonicContact OD2-NH2 2.66Å; D1359-R1406 PolarHBondContact OD2-NH2 3.21Å | ||
| 1360 | L | 69.4 | Low | 75.3 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 101.6 | -175 | -166 | 155.8 | 0 | 0 | 0 | 108.8 | A1351 I1353 G1417 L1418 | A1351-L1360 HydrophobicContact CB-CD2 4.07Å; I1353-L1360 HydrophobicContact CD1-CD1 4.2Å; I1353-L1360 HydrophobicContact CG1-CD1 4.01Å; I1353-L1360 HydrophobicContact CG1-CG 4.04Å; L1360-G1417 PolarHBondContact O-N 3.26Å; L1360-L1418 WeakPolarHBondContact CD2-O 3.42Å |
| 1361 | G | 81.2 | Confident | 75.2 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 4% | 0.041 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 151.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1351 A1352 | A1351-G1361 WeakPolarHBondContact CA-O 3.44Å; A1352-G1361 PolarHBondContact N-O 3.09Å; A1352-G1361 PolarHBondContact O-N 2.81Å |
| 1362 | I | 86.9 | Confident | 75.3 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 121.2 | 177.4 | -61.8 | -177.9 | 0 | 0 | 0 | 108.3 | I1349 L1407 I1415 A1423 | I1349-I1362 HydrophobicContact CB-CG2 3.91Å; I1349-I1362 HydrophobicContact CD1-CG2 3.86Å; I1349-I1362 HydrophobicContact CG1-CG2 4.38Å; I1349-I1362 HydrophobicContact CG2-CG2 4.27Å; I1362-L1407 HydrophobicContact CG2-CD1 4.26Å; I1362-L1407 PolarHBondContact O-N 2.96Å; I1362-I1415 HydrophobicContact CB-CD1 4.25Å; I1362-I1415 HydrophobicContact CD1-CB 4.44Å; I1362-I1415 HydrophobicContact CD1-CD1 4.04Å; I1362-I1415 HydrophobicContact CD1-CG1 4.44Å; I1362-I1415 HydrophobicContact CG2-CD1 4.44Å; I1362-A1423 HydrophobicContact CD1-CB 3.32Å |
| 1363 | Y | 89.7 | Confident | 75.8 | Confident | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.02 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 145.8 | -172.5 | -64.1 | -95.1 | 0 | 0 | 0 | 111.3 | I1349 V1350 A1352 R1365 D1405 R1406 D1485 L1488 L1492 | I1349-Y1363 CarbonylContact C-O 3.51Å; I1349-Y1363 VanDerWaalsContact CA-O 3.29Å; I1349-Y1363 WeakPolarHBondContact CA-O 3.43Å; V1350-Y1363 PolarHBondContact N-O 3.47Å; V1350-Y1363 PolarHBondContact O-N 2.88Å; A1352-Y1363 HydrophobicContact CB-CD2 3.89Å; A1352-Y1363 HydrophobicContact CB-CE2 3.87Å; Y1363-R1365 PolarHBondContact O-N 2.76Å; Y1363-D1405 CarbonylContact C-O 3.59Å; Y1363-D1405 WeakPolarHBondContact CA-O 3.43Å; Y1363-R1406 HydrophobicContact CD1-CB 3.87Å; Y1363-R1406 HydrophobicContact CD1-CG 4.21Å; Y1363-R1406 HydrophobicContact CE1-CB 3.71Å; Y1363-R1406 HydrophobicContact CE1-CG 3.83Å; Y1363-D1485 PolarHBondContact OH-OD1 2.97Å; Y1363-L1488 WeakPolarHBondContact OH-CD1 3.32Å; Y1363-L1492 HydrophobicContact CD1-CD1 3.63Å; Y1363-L1492 HydrophobicContact CD2-CD1 4.17Å; Y1363-L1492 HydrophobicContact CE1-CD1 4.14Å; Y1363-L1492 HydrophobicContact CG-CD1 3.64Å |
| 1364 | V | 89.5 | Confident | 76.4 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 114.4 | 173.5 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | L1347 I1367 L1401 Q1402 I1403 G1404 D1405 L1407 | L1347-V1364 HydrophobicContact CD1-CB 4.45Å; L1347-V1364 HydrophobicContact CD1-CG1 3.65Å; L1347-V1364 HydrophobicContact CD1-CG2 3.97Å; V1364-I1367 HydrophobicContact CG1-CD1 4.19Å; V1364-I1367 HydrophobicContact CG1-CG1 3.9Å; V1364-L1401 HydrophobicContact CG2-CD2 4.49Å; V1364-Q1402 WeakPolarHBondContact CB-O 3.36Å; V1364-Q1402 WeakPolarHBondContact CG1-O 3.44Å; V1364-I1403 WeakPolarHBondContact O-CG2 3.48Å; V1364-G1404 PolarHBondContact O-N 3.09Å; V1364-D1405 HydrophobicContact CB-CB 4.21Å; V1364-D1405 HydrophobicContact CG2-CB 3.93Å; V1364-D1405 PolarHBondContact N-O 3.41Å; V1364-L1407 HydrophobicContact CG2-CD1 4.47Å; V1364-L1407 HydrophobicContact CG2-CD2 4.02Å; V1364-L1407 HydrophobicContact CG2-CG 4.24Å |
| 1365 | R | 89 | Confident | 77.5 | Confident | 135 Ų | 135 | 59.4 Ų | 59.4 | 51% | 0.509 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -22.6 | 178 | -177.6 | 174.7 | 178.1 | 177.7 | 2.1 | 112.9 | S1348 V1350 Y1363 Y1496 | S1348-R1365 PolarHBondContact O-N 3.41Å; V1350-R1365 HydrophobicContact CB-CB 4.33Å; V1350-R1365 HydrophobicContact CG1-CB 4.15Å; Y1363-R1365 PolarHBondContact O-N 2.76Å; R1365-Y1496 WeakPolarHBondContact O-CE2 3.25Å |
| 1366 | G | 85.6 | Confident | 79.5 | Confident | 10 Ų | 10 | 54 Ų | 54 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.5 | 156.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1348 | S1348-G1366 PolarHBondContact N-O 2.84Å; S1348-G1366 PolarHBondContact O-N 2.84Å |
| 1367 | I | 88 | Confident | 81.2 | Confident | 40 Ų | 40 | 52.5 Ų | 52.5 | 21% | 0.205 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 122.1 | -179 | -61.6 | 170 | 0 | 0 | 0 | 107.1 | L1347 V1364 A1373 L1401 | L1347-I1367 HydrophobicContact CD1-CG1 3.97Å; V1364-I1367 HydrophobicContact CG1-CD1 4.19Å; V1364-I1367 HydrophobicContact CG1-CG1 3.9Å; I1367-A1373 HydrophobicContact CG2-CB 3.9Å; I1367-L1401 HydrophobicContact CD1-CB 3.69Å; I1367-L1401 WeakPolarHBondContact CD1-O 3.39Å |
| 1368 | N | 86 | Confident | 82.3 | Confident | 91 Ų | 91 | 52.9 Ų | 52.9 | 49% | 0.487 | 29% | 0.285 | S | S | . | . | trans | -76.3 | 128.5 | 179.5 | -70.3 | 30.2 | 0 | 0 | 0 | 109.6 | G1346 S1371 S1374 | G1346-N1368 PolarHBondContact O-N 3.32Å; N1368-S1371 VanDerWaalsContact O-CB 3.25Å; N1368-S1371 WeakPolarHBondContact O-CB 3.34Å; N1368-S1371 PolarHBondContact O-N 3Å; N1368-S1371 PolarHBondContact O-OG 2.68Å; N1368-S1374 WeakPolarHBondContact O-CB 3.34Å | ||
| 1369 | P | 82.6 | Confident | 83.1 | Confident | 122 Ų | 122 | 47.6 Ų | 47.6 | 79% | 0.792 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 140.9 | 176.2 | -27.4 | 35.7 | 0 | 0 | 0 | 112.8 | S1371 | P1369-S1371 PolarHBondContact O-N 3.05Š|
| 1370 | G | 79.9 | Confident | 82.6 | Confident | 47 Ų | 47 | 52.1 Ų | 52.1 | 49% | 0.485 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | -11.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | S1374 Q1375 | G1370-S1374 PolarHBondContact N-OG 3.28Å; G1370-Q1375 PolarHBondContact O-NE2 3.36Å |
| 1371 | S | 85.6 | Confident | 81.2 | Confident | 15 Ų | 15 | 54.2 Ų | 54.2 | 11% | 0.105 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -69.4 | 174.9 | 177.3 | 73.8 | 0 | 0 | 0 | 0 | 113.9 | L1345 N1368 P1369 A1373 S1374 Q1375 | L1345-S1371 PolarHBondContact O-OG 2.61Å; N1368-S1371 VanDerWaalsContact O-CB 3.25Å; N1368-S1371 WeakPolarHBondContact O-CB 3.34Å; N1368-S1371 PolarHBondContact O-N 3Å; N1368-S1371 PolarHBondContact O-OG 2.68Å; P1369-S1371 PolarHBondContact O-N 3.05Å; S1371-A1373 VanDerWaalsContact C-N 3.31Å; S1371-A1373 PolarHBondContact O-N 3.34Å; S1371-S1374 CarbonylContact O-C 3.47Å; S1371-S1374 WeakPolarHBondContact O-CA 3.44Å; S1371-S1374 WeakPolarHBondContact O-CB 3.38Å; S1371-S1374 PolarHBondContact O-N 2.66Å; S1371-Q1375 WeakPolarHBondContact O-CG 3.41Å; S1371-Q1375 PolarHBondContact O-N 2.64Å |
| 1372 | G | 86 | Confident | 79 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -46 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V1338 P1339 L1345 S1374 Q1375 A1376 | V1338-G1372 VanDerWaalsContact CG1-O 3.32Å; V1338-G1372 WeakPolarHBondContact CG1-O 3.31Å; P1339-G1372 WeakPolarHBondContact O-CA 3.18Å; L1345-G1372 PolarHBondContact O-N 3.13Å; G1372-S1374 VanDerWaalsContact C-N 3.29Å; G1372-S1374 PolarHBondContact O-N 3.45Å; G1372-Q1375 CarbonylContact O-C 3.53Å; G1372-Q1375 WeakPolarHBondContact O-CA 3.26Å; G1372-Q1375 PolarHBondContact O-N 2.78Å; G1372-A1376 PolarHBondContact O-N 3.29Å |
| 1373 | A | 87.5 | Confident | 76.5 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 2% | 0.017 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -63.4 | -33 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1338 L1345 L1347 I1367 S1371 Q1375 L1401 | V1338-A1373 HydrophobicContact CG1-CB 4.37Å; L1345-A1373 WeakPolarHBondContact O-CB 3.22Å; L1345-A1373 PolarHBondContact O-N 3.3Å; L1347-A1373 HydrophobicContact CB-CB 3.98Å; L1347-A1373 HydrophobicContact CD1-CB 4.06Å; I1367-A1373 HydrophobicContact CG2-CB 3.9Å; S1371-A1373 VanDerWaalsContact C-N 3.31Å; S1371-A1373 PolarHBondContact O-N 3.34Å; A1373-Q1375 PolarHBondContact O-N 3.13Å; A1373-L1401 HydrophobicContact CB-CD1 4.45Å |
| 1374 | S | 85.4 | Confident | 73.9 | Confident | 51 Ų | 51 | 74.1 Ų | 74.1 | 36% | 0.357 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -72.2 | -12.5 | 171.5 | -175.5 | 0 | 0 | 0 | 0 | 113.4 | N1368 G1370 S1371 G1372 | N1368-S1374 WeakPolarHBondContact O-CB 3.34Å; G1370-S1374 PolarHBondContact N-OG 3.28Å; S1371-S1374 CarbonylContact O-C 3.47Å; S1371-S1374 WeakPolarHBondContact O-CA 3.44Å; S1371-S1374 WeakPolarHBondContact O-CB 3.38Å; S1371-S1374 PolarHBondContact O-N 2.66Å; G1372-S1374 VanDerWaalsContact C-N 3.29Å; G1372-S1374 PolarHBondContact O-N 3.45Å |
| 1375 | Q | 83.5 | Confident | 71.2 | Confident | 100 Ų | 100 | 82.5 Ų | 82.5 | 47% | 0.467 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -116.7 | 18.9 | -178.9 | -61.9 | -174.6 | 38.2 | 0 | 0 | 112.8 | P1339 I1341 G1370 S1371 G1372 A1373 | P1339-Q1375 HydrophobicContact CG-CB 4.13Å; I1341-Q1375 HydrophobicContact CD1-CG 4.44Å; G1370-Q1375 PolarHBondContact O-NE2 3.36Å; S1371-Q1375 WeakPolarHBondContact O-CG 3.41Å; S1371-Q1375 PolarHBondContact O-N 2.64Å; G1372-Q1375 CarbonylContact O-C 3.53Å; G1372-Q1375 WeakPolarHBondContact O-CA 3.26Å; G1372-Q1375 PolarHBondContact O-N 2.78Å; A1373-Q1375 PolarHBondContact O-N 3.13Å |
| 1376 | A | 86.1 | Confident | 68.5 | Low | 10 Ų | 10 | 82.9 Ų | 82.9 | 8% | 0.083 | 45% | 0.448 | C | S | . | . | trans | -60.7 | 151.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1336 V1337 V1338 G1372 Y1400 L1401 | V1336-A1376 HydrophobicContact CB-CB 4.39Å; V1337-A1376 CarbonylContact O-C 3.59Å; V1337-A1376 VanDerWaalsContact O-CA 3.23Å; V1337-A1376 WeakPolarHBondContact O-CA 3.42Å; V1338-A1376 HydrophobicContact CG2-CB 4.1Å; G1372-A1376 PolarHBondContact O-N 3.29Å; A1376-Y1400 VanDerWaalsContact O-CD2 3.23Å; A1376-Y1400 WeakPolarHBondContact O-CD2 3.26Å; A1376-L1401 HydrophobicContact CB-CD1 3.9Å; A1376-L1401 HydrophobicContact CB-CG 4.36Å | ||
| 1377 | K | 84 | Confident | 65.8 | Low | 124 Ų | 124 | 89.1 Ų | 89.1 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 134.9 | -176.9 | -61.1 | 171.1 | -172.1 | 164.4 | 0 | 110.3 | V1336 V1337 | V1336-K1377 CarbonylContact C-O 3.53Å; V1336-K1377 WeakPolarHBondContact CA-O 3.45Å; V1337-K1377 PolarHBondContact N-O 3Å; V1337-K1377 PolarHBondContact O-N 2.92Å |
| 1378 | L | 81.6 | Confident | 63.1 | Low | 65 Ų | 65 | 93 Ų | 93 | 34% | 0.34 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 136.8 | 177.5 | -165.6 | 69.9 | 0 | 0 | 0 | 111.6 | Y1334 V1336 L1396 Y1400 | Y1334-L1378 HydrophobicContact CD2-CD1 3.72Å; Y1334-L1378 HydrophobicContact CG-CD1 4.2Å; V1336-L1378 HydrophobicContact CG1-CD1 4.32Å; L1378-L1396 HydrophobicContact CD1-CD2 4.15Å; L1378-L1396 HydrophobicContact CD2-CD1 4.38Å; L1378-L1396 HydrophobicContact CD2-CD2 4.48Å; L1378-Y1400 HydrophobicContact CB-CD1 3.92Å; L1378-Y1400 HydrophobicContact CB-CE1 3.83Å; L1378-Y1400 HydrophobicContact CB-CG 4.49Å; L1378-Y1400 HydrophobicContact CD1-CD1 4.39Å; L1378-Y1400 HydrophobicContact CD2-CE1 4.42Å |
| 1379 | I | 75.2 | Confident | 60.7 | Low | 61 Ų | 61 | 96.3 Ų | 96.3 | 31% | 0.313 | 52% | 0.524 | S | S | . | . | trans | -88.7 | 131.1 | 169.7 | -59.1 | 177.2 | 0 | 0 | 0 | 108.5 | S1335 V1337 C1381 V1435 | S1335-I1379 PolarHBondContact O-N 3.5Å; V1337-I1379 HydrophobicContact CG2-CD1 3.76Å; V1337-I1379 HydrophobicContact CG2-CG1 3.57Å; I1379-C1381 PolarHBondContact O-N 3.19Å; I1379-C1381 VanDerWaalsContact O-N 3.16Å; I1379-V1435 HydrophobicContact CD1-CB 4.37Å; I1379-V1435 HydrophobicContact CD1-CG1 3.54Å; I1379-V1435 HydrophobicContact CD1-CG2 3.97Å | ||
| 1380 | H | 52 | Low | 58.6 | Low | 158 Ų | 158 | 99.6 Ų | 99.6 | 73% | 0.731 | 53% | 0.528 | S | S | * | . | trans | -65.8 | 113.8 | -176.3 | -157.7 | -59.9 | 0 | 0 | 0 | 111.4 | N1382 | H1380-N1382 PolarHBondContact ND1-OD1 3.42Å; H1380-N1382 PolarHBondContact O-N 3.45Å | ||
| 1381 | C | 40.4 | Very low | 56.5 | Low | 95 Ų | 95 | 101.2 Ų | 101.2 | 64% | 0.642 | 53% | 0.532 | S | S | * | . | trans | -68.9 | 123.6 | 171.1 | -59.7 | 0 | 0 | 0 | 0 | 109.4 | I1379 | I1379-C1381 PolarHBondContact O-N 3.19Å; I1379-C1381 VanDerWaalsContact O-N 3.16Å | ||
| 1382 | N | 33.8 | Very low | 54.5 | Low | 120 Ų | 120 | 105.3 Ų | 105.3 | 64% | 0.642 | 55% | 0.553 | S | S | * | * | trans | -116.9 | 143.8 | 171.1 | -76 | -11.3 | 0 | 0 | 0 | 109.6 | H1380 | H1380-N1382 PolarHBondContact ND1-OD1 3.42Å; H1380-N1382 PolarHBondContact O-N 3.45Å | ||
| 1383 | N | 35.5 | Very low | 52.4 | Low | 151 Ų | 151 | 114.7 Ų | 114.7 | 81% | 0.807 | 59% | 0.594 | S | S | * | * | S | Bend | trans | 97.7 | 116.5 | 168.7 | -51.2 | -20.8 | 0 | 0 | 0 | 117.5 | ||
| 1384 | H | 35.8 | Very low | 50.3 | Low | 158 Ų | 158 | 123.9 Ų | 123.9 | 73% | 0.731 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 68.7 | 107.8 | 162.6 | -65.6 | -75 | 0 | 0 | 0 | 121.6 | ||
| 1385 | E | 31.4 | Very low | 48.7 | Very low | 178 Ų | 178 | 124 Ų | 124 | 83% | 0.832 | 63% | 0.626 | S | S | * | * | trans | 63.8 | 64 | 133.9 | -69 | 165.3 | -136 | 0 | 0 | 118.6 | ||||
| 1386 | I | 33.6 | Very low | 47.5 | Very low | 142 Ų | 142 | 122.6 Ų | 122.6 | 73% | 0.728 | 62% | 0.621 | S | S | * | * | trans | -118.8 | 129.5 | 147.7 | -60.2 | 179.1 | 0 | 0 | 0 | 107.8 | ||||
| 1387 | N | 28.8 | Very low | 46.2 | Very low | 142 Ų | 142 | 126.1 Ų | 126.1 | 76% | 0.759 | 64% | 0.642 | S | S | * | * | trans | -67.2 | 123.5 | -176 | -86.1 | -39.3 | 0 | 0 | 0 | 111.3 | L1389 | N1387-L1389 PolarHBondContact O-N 3.41Š| ||
| 1388 | P | 31.1 | Very low | 45.2 | Very low | 121 Ų | 121 | 124.1 Ų | 124.1 | 79% | 0.786 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 34.2 | -167.3 | 35 | -39.3 | 0 | 0 | 0 | 114.3 | ||
| 1389 | L | 34.5 | Very low | 44.7 | Very low | 161 Ų | 161 | 124.3 Ų | 124.3 | 84% | 0.843 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.4 | -5.1 | -170.7 | -89.3 | 165.4 | 0 | 0 | 0 | 115.4 | N1387 | N1387-L1389 PolarHBondContact O-N 3.41Š|
| 1390 | Q | 38.5 | Very low | 45.1 | Very low | 190 Ų | 190 | 124.7 Ų | 124.7 | 89% | 0.888 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -151 | 15 | -173.4 | -134.2 | 161.9 | 2.6 | 0 | 0 | 116.8 | ||
| 1391 | S | 36.3 | Very low | 46.8 | Very low | 81 Ų | 81 | 117.2 Ų | 117.2 | 57% | 0.566 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -113.4 | 95.4 | -179.4 | 60.5 | 0 | 0 | 0 | 0 | 113 | K1393 | S1391-K1393 PolarHBondContact O-N 3.49Š|
| 1392 | D | 43.3 | Very low | 48.9 | Very low | 101 Ų | 101 | 116.2 Ų | 116.2 | 54% | 0.54 | 60% | 0.598 | S | S | . | * | trans | 22.2 | 89.6 | 157 | -58.7 | -27.6 | 0 | 0 | 0 | 119 | Y1394 L1395 | D1392-Y1394 PolarHBondContact O-N 3.32Å; D1392-L1395 HydrophobicContact CB-CB 4.44Å; D1392-L1395 HydrophobicContact CB-CD1 3.75Å; D1392-L1395 HydrophobicContact CB-CG 3.74Å; D1392-L1395 PolarHBondContact O-N 2.84Å | ||
| 1393 | K | 43.1 | Very low | 51.3 | Low | 198 Ų | 198 | 113 Ų | 113 | 86% | 0.861 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -3.1 | 163.6 | -163.1 | 176.2 | 179.2 | -177.2 | 0 | 114.3 | S1391 | S1391-K1393 PolarHBondContact O-N 3.49Š|
| 1394 | Y | 42.3 | Very low | 53.5 | Low | 195 Ų | 195 | 106.1 Ų | 106.1 | 77% | 0.765 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -26.8 | -173.6 | -62.9 | -83.9 | 0 | 0 | 0 | 114 | D1392 L1396 T1397 | D1392-Y1394 PolarHBondContact O-N 3.32Å; Y1394-L1396 PolarHBondContact O-N 3.3Å; Y1394-T1397 PolarHBondContact O-OG1 2.91Å |
| 1395 | L | 51.4 | Low | 56 | Low | 54 Ų | 54 | 98.7 Ų | 98.7 | 28% | 0.283 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -21.9 | -169.2 | -74.6 | 175 | 0 | 0 | 0 | 115.4 | D1392 A1442 | D1392-L1395 HydrophobicContact CB-CB 4.44Å; D1392-L1395 HydrophobicContact CB-CD1 3.75Å; D1392-L1395 HydrophobicContact CB-CG 3.74Å; D1392-L1395 PolarHBondContact O-N 2.84Å; L1395-A1442 HydrophobicContact CD1-CB 4.15Å; L1395-A1442 HydrophobicContact CD2-CB 3.85Å |
| 1396 | L | 58.7 | Low | 58.7 | Low | 70 Ų | 70 | 91.7 Ų | 91.7 | 37% | 0.366 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 25.8 | -174.5 | -73.2 | 167.2 | 0 | 0 | 0 | 113.2 | Y1334 L1378 Y1394 Y1400 | Y1334-L1396 HydrophobicContact CD1-CD2 4.22Å; Y1334-L1396 HydrophobicContact CD2-CD2 4.36Å; Y1334-L1396 HydrophobicContact CG-CD2 4.12Å; L1378-L1396 HydrophobicContact CD1-CD2 4.15Å; L1378-L1396 HydrophobicContact CD2-CD1 4.38Å; L1378-L1396 HydrophobicContact CD2-CD2 4.48Å; Y1394-L1396 PolarHBondContact O-N 3.3Å; L1396-Y1400 WeakPolarHBondContact O-CE1 3.33Å |
| 1397 | T | 59.5 | Low | 61.4 | Low | 83 Ų | 83 | 85.2 Ų | 85.2 | 51% | 0.509 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 138.4 | 172.4 | -45 | 0 | 0 | 0 | 0 | 110.2 | Y1394 | Y1394-T1397 PolarHBondContact O-OG1 2.91Š|
| 1398 | S | 63 | Low | 64.2 | Low | 82 Ų | 82 | 80.8 Ų | 80.8 | 57% | 0.573 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -60.5 | 136.4 | 174.1 | -170 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1399 | P | 71.6 | Confident | 66.9 | Low | 69 Ų | 69 | 75.7 Ų | 75.7 | 45% | 0.448 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | cis | -77.5 | 138.1 | 8.5 | 31.5 | -36.2 | 0 | 0 | 0 | 114.3 | Q1402 | P1399-Q1402 HydrophobicContact CG-CG 4.34Å; P1399-Q1402 PolarHBondContact O-NE2 3.38Å |
| 1400 | Y | 82.6 | Confident | 69.5 | Low | 70 Ų | 70 | 68.1 Ų | 68.1 | 28% | 0.275 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -73.4 | -24.5 | -177.5 | -58.4 | -80.2 | 0 | 0 | 0 | 113.9 | Y1334 A1376 L1378 L1396 R1440 | Y1334-Y1400 WeakPolarHBondContact CE2-O 3.46Å; Y1334-Y1400 PolarHBondContact OH-O 3.48Å; A1376-Y1400 VanDerWaalsContact O-CD2 3.23Å; A1376-Y1400 WeakPolarHBondContact O-CD2 3.26Å; L1378-Y1400 HydrophobicContact CB-CD1 3.92Å; L1378-Y1400 HydrophobicContact CB-CE1 3.83Å; L1378-Y1400 HydrophobicContact CB-CG 4.49Å; L1378-Y1400 HydrophobicContact CD1-CD1 4.39Å; L1378-Y1400 HydrophobicContact CD2-CE1 4.42Å; L1396-Y1400 WeakPolarHBondContact O-CE1 3.33Å; Y1400-R1440 PolarHBondContact O-NH2 2.9Å |
| 1401 | L | 87.3 | Confident | 71.9 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -102.2 | 138.5 | 166 | -78.3 | 165.3 | 0 | 0 | 0 | 109.3 | V1336 V1338 L1347 V1364 I1367 A1373 A1376 D1405 L1436 V1438 | V1336-L1401 HydrophobicContact CG2-CD1 4.16Å; V1336-L1401 HydrophobicContact CG2-CD2 4.23Å; V1336-L1401 HydrophobicContact CG2-CG 4.07Å; V1338-L1401 HydrophobicContact CG2-CD1 3.87Å; L1347-L1401 HydrophobicContact CD1-CD1 4.48Å; V1364-L1401 HydrophobicContact CG2-CD2 4.49Å; I1367-L1401 HydrophobicContact CD1-CB 3.69Å; I1367-L1401 WeakPolarHBondContact CD1-O 3.39Å; A1373-L1401 HydrophobicContact CB-CD1 4.45Å; A1376-L1401 HydrophobicContact CB-CD1 3.9Å; A1376-L1401 HydrophobicContact CB-CG 4.36Å; L1401-D1405 WeakPolarHBondContact CA-OD2 3.36Å; L1401-L1436 HydrophobicContact CD1-CD1 4.28Å; L1401-V1438 HydrophobicContact CD2-CG2 3.93Å |
| 1402 | Q | 84.9 | Confident | 74.1 | Confident | 73 Ų | 73 | 61.2 Ų | 61.2 | 34% | 0.341 | 32% | 0.324 | S | S | . | . | trans | -139.9 | 163.6 | -179.6 | -67.3 | 174.2 | 13.6 | 0 | 0 | 110.7 | V1364 P1399 D1405 R1440 | V1364-Q1402 WeakPolarHBondContact CB-O 3.36Å; V1364-Q1402 WeakPolarHBondContact CG1-O 3.44Å; P1399-Q1402 HydrophobicContact CG-CG 4.34Å; P1399-Q1402 PolarHBondContact O-NE2 3.38Å; Q1402-D1405 PolarHBondContact N-OD2 3.23Å; Q1402-D1405 WeakPolarHBondContact O-CB 3.46Å; Q1402-D1405 PolarHBondContact O-N 3.1Å; Q1402-R1440 VanDerWaalsContact CD-CZ 3.41Å; Q1402-R1440 VanDerWaalsContact CG-NH2 3.33Å | ||
| 1403 | I | 84 | Confident | 76.1 | Confident | 54 Ų | 54 | 61.7 Ų | 61.7 | 28% | 0.277 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 133.6 | 174.3 | -60.5 | 99 | 0 | 0 | 0 | 109.4 | V1364 Y1496 | V1364-I1403 WeakPolarHBondContact O-CG2 3.48Å; I1403-Y1496 HydrophobicContact CB-CD1 4.47Å; I1403-Y1496 HydrophobicContact CB-CE1 4.03Å; I1403-Y1496 HydrophobicContact CD1-CE1 4.01Å; I1403-Y1496 WeakPolarHBondContact CD1-OH 3.38Å; I1403-Y1496 HydrophobicContact CG1-CE1 3.97Å; I1403-Y1496 HydrophobicContact CG1-CE2 4.32Å; I1403-Y1496 WeakPolarHBondContact CG1-OH 3.24Å; I1403-Y1496 HydrophobicContact CG2-CD1 3.88Å; I1403-Y1496 HydrophobicContact CG2-CD2 3.93Å; I1403-Y1496 HydrophobicContact CG2-CE1 3.81Å; I1403-Y1496 HydrophobicContact CG2-CE2 3.86Å; I1403-Y1496 HydrophobicContact CG2-CG 3.93Å |
| 1404 | G | 82.1 | Confident | 78.1 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 102 | -18.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V1364 R1406 | V1364-G1404 PolarHBondContact O-N 3.09Å; G1404-R1406 PolarHBondContact O-N 2.9Å |
| 1405 | D | 88.6 | Confident | 80.1 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.011 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 128.9 | 176.4 | -78.6 | -5 | 0 | 0 | 0 | 111.7 | Y1334 Y1363 V1364 L1401 Q1402 V1438 R1440 | Y1334-D1405 PolarHBondContact OH-OD2 3.18Å; Y1334-D1405 VanDerWaalsContact OH-OD2 3.11Å; Y1363-D1405 CarbonylContact C-O 3.59Å; Y1363-D1405 WeakPolarHBondContact CA-O 3.43Å; V1364-D1405 HydrophobicContact CB-CB 4.21Å; V1364-D1405 HydrophobicContact CG2-CB 3.93Å; V1364-D1405 PolarHBondContact N-O 3.41Å; L1401-D1405 WeakPolarHBondContact CA-OD2 3.36Å; Q1402-D1405 PolarHBondContact N-OD2 3.23Å; Q1402-D1405 WeakPolarHBondContact O-CB 3.46Å; Q1402-D1405 PolarHBondContact O-N 3.1Å; D1405-V1438 HydrophobicContact CB-CG1 3.56Å; D1405-R1440 IonicContact OD1-CZ 2.85Å; D1405-R1440 IonicContact OD1-NE 3.34Å; D1405-R1440 PolarHBondContact OD1-NE 3.09Å; D1405-R1440 IonicContact OD1-NH2 3Å; D1405-R1440 PolarHBondContact OD1-NH2 2.82Å; D1405-R1440 IonicContact OD2-CZ 2.68Å; D1405-R1440 IonicContact OD2-NE 2.97Å; D1405-R1440 IonicContact OD2-NH2 3.93Å; D1405-R1440 PolarHBondContact OD2-NH2 3.1Å |
| 1406 | R | 87.9 | Confident | 81.3 | Confident | 31 Ų | 31 | 46.9 Ų | 46.9 | 12% | 0.117 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 126.6 | 176.4 | -174.4 | -179.9 | 171.1 | 173 | 0.3 | 110.3 | D1359 Y1363 G1404 V1438 V1439 D1485 | D1359-R1406 IonicContact OD1-NH2 2.82Å; D1359-R1406 IonicContact OD2-CZ 3.83Å; D1359-R1406 IonicContact OD2-NH1 2.76Å; D1359-R1406 PolarHBondContact OD2-NH1 3.08Å; D1359-R1406 IonicContact OD2-NH2 2.66Å; D1359-R1406 PolarHBondContact OD2-NH2 3.21Å; Y1363-R1406 HydrophobicContact CD1-CB 3.87Å; Y1363-R1406 HydrophobicContact CD1-CG 4.21Å; Y1363-R1406 HydrophobicContact CE1-CB 3.71Å; Y1363-R1406 HydrophobicContact CE1-CG 3.83Å; G1404-R1406 PolarHBondContact O-N 2.9Å; R1406-V1438 CarbonylContact O-C 3.54Å; R1406-V1438 WeakPolarHBondContact O-CA 3.39Å; R1406-V1439 HydrophobicContact CB-CB 4.36Å; R1406-V1439 PolarHBondContact N-O 2.87Å; R1406-V1439 PolarHBondContact O-N 2.99Å; R1406-D1485 WeakPolarHBondContact CD-OD1 3.41Å; R1406-D1485 IonicContact CZ-OD1 3.81Å; R1406-D1485 IonicContact NE-OD1 3.1Å; R1406-D1485 IonicContact NH1-OD1 2.75Å; R1406-D1485 PolarHBondContact NH1-OD1 2.81Å; R1406-D1485 IonicContact NH1-OD2 3.21Å |
| 1407 | L | 89.7 | Confident | 82.1 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.037 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 125.1 | 179.5 | -55.9 | -178.4 | 0 | 0 | 0 | 110.8 | L1347 I1349 I1362 V1364 I1415 L1436 V1438 | L1347-L1407 HydrophobicContact CD2-CD1 4.19Å; I1349-L1407 HydrophobicContact CG2-CD1 3.88Å; I1362-L1407 HydrophobicContact CG2-CD1 4.26Å; I1362-L1407 PolarHBondContact O-N 2.96Å; V1364-L1407 HydrophobicContact CG2-CD1 4.47Å; V1364-L1407 HydrophobicContact CG2-CD2 4.02Å; V1364-L1407 HydrophobicContact CG2-CG 4.24Å; L1407-I1415 HydrophobicContact CB-CD1 3.65Å; L1407-L1436 HydrophobicContact CD2-CD1 4.32Å; L1407-V1438 HydrophobicContact CD2-CG1 4.48Å; L1407-V1438 HydrophobicContact CD2-CG2 3.97Å |
| 1408 | I | 87.8 | Confident | 83.2 | Confident | 48 Ų | 48 | 44.7 Ų | 44.7 | 25% | 0.246 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -45.5 | 178.5 | -48.7 | 176.9 | 0 | 0 | 0 | 111.8 | T1333 I1415 T1416 T1437 V1439 | T1333-I1408 HydrophobicContact CG2-CD1 3.79Å; I1408-I1415 WeakPolarHBondContact O-CG1 3.33Å; I1408-I1415 PolarHBondContact O-N 2.95Å; I1408-T1416 HydrophobicContact CG2-CG2 4.26Å; I1408-T1437 HydrophobicContact CD1-CG2 4.25Å; I1408-T1437 PolarHBondContact N-O 3.1Å; I1408-V1439 HydrophobicContact CD1-CG2 3.51Å; I1408-V1439 HydrophobicContact CG1-CG2 3.73Å |
| 1409 | S | 89.2 | Confident | 84.1 | Confident | 14 Ų | 14 | 43 Ų | 43 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 150.2 | -172.8 | 71.1 | 0 | 0 | 0 | 0 | 113.3 | Q1413 L1436 T1437 | S1409-Q1413 CarbonylContact C-O 3.6Å; S1409-Q1413 WeakPolarHBondContact CA-O 3.46Å; S1409-Q1413 VanDerWaalsContact CB-O 3.23Å; S1409-Q1413 WeakPolarHBondContact CB-O 3.48Å; S1409-L1436 WeakPolarHBondContact O-CA 3.42Å; S1409-T1437 PolarHBondContact O-N 2.81Å; S1409-T1437 VanDerWaalsContact OG-CB 3.24Å; S1409-T1437 WeakPolarHBondContact OG-CB 3.46Å; S1409-T1437 PolarHBondContact OG-OG1 3.39Å |
| 1410 | V | 89 | Confident | 84.7 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 116.5 | 177.3 | 177.8 | 0 | 0 | 0 | 0 | 107.5 | G1412 Q1413 I1415 L1426 V1427 V1434 V1435 L1436 | V1410-G1412 PolarHBondContact O-N 3.24Å; V1410-Q1413 PolarHBondContact N-O 2.7Å; V1410-Q1413 WeakPolarHBondContact O-CB 3.36Å; V1410-Q1413 PolarHBondContact O-N 3.19Å; V1410-I1415 HydrophobicContact CB-CG2 4.16Å; V1410-I1415 HydrophobicContact CG2-CD1 4.06Å; V1410-I1415 HydrophobicContact CG2-CG2 3.68Å; V1410-L1426 HydrophobicContact CG1-CB 4.46Å; V1410-V1427 HydrophobicContact CG1-CG2 3.87Å; V1410-V1427 HydrophobicContact CG2-CG2 3.82Å; V1410-V1434 HydrophobicContact CG1-CG1 3.93Å; V1410-V1435 CarbonylContact C-O 3.47Å; V1410-V1435 WeakPolarHBondContact CA-O 3.41Å; V1410-L1436 HydrophobicContact CB-CD2 4.45Å; V1410-L1436 HydrophobicContact CG1-CD2 4.4Å; V1410-L1436 HydrophobicContact CG2-CD2 3.83Å |
| 1411 | N | 88.2 | Confident | 84.7 | Confident | 60 Ų | 60 | 44.6 Ų | 44.6 | 32% | 0.321 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 40 | -175.9 | -55 | -60.4 | 0 | 0 | 0 | 113.3 | Q1413 T1430 V1435 | N1411-Q1413 VanDerWaalsContact C-N 3.26Å; N1411-Q1413 PolarHBondContact O-N 3.22Å; N1411-T1430 WeakPolarHBondContact ND2-CG2 3.47Å; N1411-T1430 PolarHBondContact ND2-OG1 3.16Å; N1411-V1435 PolarHBondContact N-O 3.06Å; N1411-V1435 PolarHBondContact OD1-N 2.75Å |
| 1412 | G | 81.7 | Confident | 84.5 | Confident | 65 Ų | 65 | 47.4 Ų | 47.4 | 67% | 0.67 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | -8.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V1410 | V1410-G1412 PolarHBondContact O-N 3.24Š|
| 1413 | Q | 85.5 | Confident | 84.5 | Confident | 112 Ų | 112 | 44 Ų | 44 | 52% | 0.523 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 123.3 | 174.6 | -55.7 | -170.9 | 17.1 | 0 | 0 | 110.1 | S1409 V1410 N1411 L1426 | S1409-Q1413 CarbonylContact C-O 3.6Å; S1409-Q1413 WeakPolarHBondContact CA-O 3.46Å; S1409-Q1413 VanDerWaalsContact CB-O 3.23Å; S1409-Q1413 WeakPolarHBondContact CB-O 3.48Å; V1410-Q1413 PolarHBondContact N-O 2.7Å; V1410-Q1413 WeakPolarHBondContact O-CB 3.36Å; V1410-Q1413 PolarHBondContact O-N 3.19Å; N1411-Q1413 VanDerWaalsContact C-N 3.26Å; N1411-Q1413 PolarHBondContact O-N 3.22Å; Q1413-L1426 HydrophobicContact CB-CD1 4.48Å |
| 1414 | S | 85.5 | Confident | 84.5 | Confident | 68 Ų | 68 | 45.2 Ų | 45.2 | 48% | 0.476 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 133.9 | -179.2 | -152.7 | 0 | 0 | 0 | 0 | 111.1 | T1416 | S1414-T1416 PolarHBondContact OG-OG1 3.07Å |
| 1415 | I | 84.6 | Confident | 84.6 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.015 | 30% | 0.296 | C | S | . | . | trans | -108.2 | -2 | 177.4 | 66 | 170.7 | 0 | 0 | 0 | 113.6 | I1362 L1407 I1408 V1410 G1417 L1418 A1423 L1426 | I1362-I1415 HydrophobicContact CB-CD1 4.25Å; I1362-I1415 HydrophobicContact CD1-CB 4.44Å; I1362-I1415 HydrophobicContact CD1-CD1 4.04Å; I1362-I1415 HydrophobicContact CD1-CG1 4.44Å; I1362-I1415 HydrophobicContact CG2-CD1 4.44Å; L1407-I1415 HydrophobicContact CB-CD1 3.65Å; I1408-I1415 WeakPolarHBondContact O-CG1 3.33Å; I1408-I1415 PolarHBondContact O-N 2.95Å; V1410-I1415 HydrophobicContact CB-CG2 4.16Å; V1410-I1415 HydrophobicContact CG2-CD1 4.06Å; V1410-I1415 HydrophobicContact CG2-CG2 3.68Å; I1415-G1417 PolarHBondContact O-N 3.3Å; I1415-L1418 HydrophobicContact CB-CD1 4.09Å; I1415-L1418 HydrophobicContact CG2-CD1 4Å; I1415-L1418 WeakPolarHBondContact O-CB 3.36Å; I1415-L1418 PolarHBondContact O-N 2.98Å; I1415-A1423 HydrophobicContact CB-CB 4.41Å; I1415-A1423 HydrophobicContact CG2-CB 4.45Å; I1415-L1426 HydrophobicContact CG2-CD1 4Å | ||
| 1416 | T | 76.7 | Confident | 84.4 | Confident | 65 Ų | 65 | 52.5 Ų | 52.5 | 40% | 0.399 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 119.7 | 168.5 | 50.3 | 0 | 0 | 0 | 0 | 111.2 | I1408 S1414 L1418 | I1408-T1416 HydrophobicContact CG2-CG2 4.26Å; S1414-T1416 PolarHBondContact OG-OG1 3.07Å; T1416-L1418 VanDerWaalsContact C-N 3.31Å; T1416-L1418 PolarHBondContact O-N 3.07Å |
| 1417 | G | 75 | Confident | 84.1 | Confident | 55 Ų | 55 | 52.3 Ų | 52.3 | 57% | 0.567 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 3.1 | -179 | 0 | 0 | 0 | 0 | 0 | 116 | L1360 I1415 | L1360-G1417 PolarHBondContact O-N 3.26Å; I1415-G1417 PolarHBondContact O-N 3.3Å |
| 1418 | L | 81.5 | Confident | 83.7 | Confident | 52 Ų | 52 | 55.2 Ų | 55.2 | 27% | 0.272 | 33% | 0.331 | S | S | . | . | trans | -78.4 | 153.6 | 168.4 | -64.3 | -173 | 0 | 0 | 0 | 111.1 | L1360 I1415 T1416 D1422 L1426 | L1360-L1418 WeakPolarHBondContact CD2-O 3.42Å; I1415-L1418 HydrophobicContact CB-CD1 4.09Å; I1415-L1418 HydrophobicContact CG2-CD1 4Å; I1415-L1418 WeakPolarHBondContact O-CB 3.36Å; I1415-L1418 PolarHBondContact O-N 2.98Å; T1416-L1418 VanDerWaalsContact C-N 3.31Å; T1416-L1418 PolarHBondContact O-N 3.07Å; L1418-D1422 HydrophobicContact CB-CB 4.28Å; L1418-L1426 HydrophobicContact CD1-CD1 3.52Å | ||
| 1419 | T | 82 | Confident | 83.3 | Confident | 45 Ų | 45 | 57.1 Ų | 57.1 | 28% | 0.276 | 35% | 0.349 | S | S | . | . | trans | -70 | 157.6 | 168.3 | 76.6 | 0 | 0 | 0 | 0 | 110.5 | D1421 D1422 A1423 | T1419-D1421 PolarHBondContact O-N 3.05Å; T1419-D1421 PolarHBondContact OG1-N 2.9Å; T1419-D1422 WeakPolarHBondContact CB-OD2 3.5Å; T1419-D1422 WeakPolarHBondContact CG2-OD2 3.22Å; T1419-D1422 PolarHBondContact O-N 3.03Å; T1419-D1422 PolarHBondContact OG1-N 2.9Å; T1419-D1422 VanDerWaalsContact OG1-N 3.13Å; T1419-D1422 PolarHBondContact OG1-OD2 3.2Å; T1419-A1423 PolarHBondContact O-N 3.48Å | ||
| 1420 | Q | 84.5 | Confident | 82.8 | Confident | 69 Ų | 69 | 57.8 Ų | 57.8 | 32% | 0.322 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -54.5 | -39.6 | 174.1 | -179.5 | 164.1 | -15.3 | 0 | 0 | 111.9 | I1349 A1351 L1424 | I1349-Q1420 HydrophobicContact CD1-CG 4.39Å; I1349-Q1420 HydrophobicContact CG1-CG 4.44Å; I1349-Q1420 PolarHBondContact O-NE2 3.31Å; A1351-Q1420 HydrophobicContact CB-CB 4.18Å; Q1420-L1424 HydrophobicContact CG-CD1 4.22Å; Q1420-L1424 WeakPolarHBondContact O-CB 3.39Å; Q1420-L1424 VanDerWaalsContact O-CG 3.23Å; Q1420-L1424 WeakPolarHBondContact O-CG 3.43Å; Q1420-L1424 PolarHBondContact O-N 3.31Å |
| 1421 | D | 83.6 | Confident | 82.1 | Confident | 105 Ų | 105 | 62.4 Ų | 62.4 | 56% | 0.561 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67.8 | -35.2 | 177.1 | -66.5 | -27.5 | 0 | 0 | 0 | 112.7 | T1419 K1425 | T1419-D1421 PolarHBondContact O-N 3.05Å; T1419-D1421 PolarHBondContact OG1-N 2.9Å; D1421-K1425 VanDerWaalsContact O-CE 3.27Å; D1421-K1425 WeakPolarHBondContact O-CE 3.48Å; D1421-K1425 VanDerWaalsContact O-CG 3.27Å; D1421-K1425 WeakPolarHBondContact O-CG 3.48Å; D1421-K1425 PolarHBondContact O-N 3.14Å |
| 1422 | D | 82.8 | Confident | 81.8 | Confident | 59 Ų | 59 | 65 Ų | 65 | 32% | 0.316 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -74.6 | -39.3 | 178.9 | -63 | -46.8 | 0 | 0 | 0 | 111.9 | L1418 T1419 L1424 K1425 L1426 | L1418-D1422 HydrophobicContact CB-CB 4.28Å; T1419-D1422 WeakPolarHBondContact CB-OD2 3.5Å; T1419-D1422 WeakPolarHBondContact CG2-OD2 3.22Å; T1419-D1422 PolarHBondContact O-N 3.03Å; T1419-D1422 PolarHBondContact OG1-N 2.9Å; T1419-D1422 VanDerWaalsContact OG1-N 3.13Å; T1419-D1422 PolarHBondContact OG1-OD2 3.2Å; D1422-L1424 VanDerWaalsContact C-N 3.34Å; D1422-K1425 WeakPolarHBondContact O-CB 3.39Å; D1422-K1425 PolarHBondContact O-N 3.34Å; D1422-K1425 IonicContact OD1-NZ 3.2Å; D1422-K1425 PolarHBondContact OD1-NZ 2.95Å; D1422-L1426 PolarHBondContact O-N 3.13Å; D1422-L1426 VanDerWaalsContact O-N 3.13Å |
| 1423 | A | 84.7 | Confident | 81.9 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.008 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1362 I1415 T1419 K1425 L1426 V1427 | I1362-A1423 HydrophobicContact CD1-CB 3.32Å; I1415-A1423 HydrophobicContact CB-CB 4.41Å; I1415-A1423 HydrophobicContact CG2-CB 4.45Å; T1419-A1423 PolarHBondContact O-N 3.48Å; A1423-K1425 VanDerWaalsContact C-N 3.33Å; A1423-K1425 PolarHBondContact O-N 2.95Å; A1423-L1426 PolarHBondContact O-N 2.93Å; A1423-V1427 WeakPolarHBondContact O-CG2 3.19Å; A1423-V1427 PolarHBondContact O-N 2.85Å |
| 1424 | L | 83.6 | Confident | 82.1 | Confident | 80 Ų | 80 | 61.8 Ų | 61.8 | 42% | 0.419 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 172.9 | -76.6 | 170.1 | 0 | 0 | 0 | 112.4 | I1349 Q1420 D1422 V1427 A1428 | I1349-L1424 HydrophobicContact CD1-CD2 4.06Å; I1349-L1424 HydrophobicContact CD1-CG 4.18Å; I1349-L1424 HydrophobicContact CG1-CD2 4.49Å; Q1420-L1424 HydrophobicContact CG-CD1 4.22Å; Q1420-L1424 WeakPolarHBondContact O-CB 3.39Å; Q1420-L1424 VanDerWaalsContact O-CG 3.23Å; Q1420-L1424 WeakPolarHBondContact O-CG 3.43Å; Q1420-L1424 PolarHBondContact O-N 3.31Å; D1422-L1424 VanDerWaalsContact C-N 3.34Å; L1424-V1427 PolarHBondContact O-N 3.46Å; L1424-A1428 WeakPolarHBondContact O-CB 3.5Å; L1424-A1428 PolarHBondContact O-N 2.74Å |
| 1425 | K | 84.2 | Confident | 82.3 | Confident | 123 Ų | 123 | 60.6 Ų | 60.6 | 54% | 0.535 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 174.2 | -69.2 | 160 | -149.4 | 162.3 | 0 | 111.9 | D1421 D1422 A1423 A1428 S1429 | D1421-K1425 VanDerWaalsContact O-CE 3.27Å; D1421-K1425 WeakPolarHBondContact O-CE 3.48Å; D1421-K1425 VanDerWaalsContact O-CG 3.27Å; D1421-K1425 WeakPolarHBondContact O-CG 3.48Å; D1421-K1425 PolarHBondContact O-N 3.14Å; D1422-K1425 WeakPolarHBondContact O-CB 3.39Å; D1422-K1425 PolarHBondContact O-N 3.34Å; D1422-K1425 IonicContact OD1-NZ 3.2Å; D1422-K1425 PolarHBondContact OD1-NZ 2.95Å; A1423-K1425 VanDerWaalsContact C-N 3.33Å; A1423-K1425 PolarHBondContact O-N 2.95Å; K1425-A1428 PolarHBondContact O-N 2.74Å; K1425-S1429 WeakPolarHBondContact O-CB 3.32Å; K1425-S1429 PolarHBondContact O-N 3.1Å |
| 1426 | L | 83.7 | Confident | 82.6 | Confident | 38 Ų | 38 | 60.7 Ų | 60.7 | 20% | 0.199 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.6 | -50.6 | 175.9 | -66.7 | -179.9 | 0 | 0 | 0 | 111.1 | V1410 Q1413 I1415 L1418 D1422 A1423 A1428 S1429 | V1410-L1426 HydrophobicContact CG1-CB 4.46Å; Q1413-L1426 HydrophobicContact CB-CD1 4.48Å; I1415-L1426 HydrophobicContact CG2-CD1 4Å; L1418-L1426 HydrophobicContact CD1-CD1 3.52Å; D1422-L1426 PolarHBondContact O-N 3.13Å; D1422-L1426 VanDerWaalsContact O-N 3.13Å; A1423-L1426 PolarHBondContact O-N 2.93Å; L1426-A1428 VanDerWaalsContact C-N 3.29Å; L1426-A1428 PolarHBondContact O-N 2.96Å; L1426-S1429 PolarHBondContact O-N 2.84Å; L1426-S1429 PolarHBondContact O-OG 2.85Å |
| 1427 | V | 82.9 | Confident | 83.2 | Confident | 27 Ų | 27 | 58.8 Ų | 58.8 | 16% | 0.164 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.7 | -39.4 | 176.5 | 173.7 | 0 | 0 | 0 | 0 | 112.2 | L1345 V1410 A1423 L1424 T1430 | L1345-V1427 HydrophobicContact CD1-CG1 3.48Å; L1345-V1427 VanDerWaalsContact CD1-CG1 3.48Å; L1345-V1427 HydrophobicContact CG-CG1 4.12Å; V1410-V1427 HydrophobicContact CG1-CG2 3.87Å; V1410-V1427 HydrophobicContact CG2-CG2 3.82Å; A1423-V1427 WeakPolarHBondContact O-CG2 3.19Å; A1423-V1427 PolarHBondContact O-N 2.85Å; L1424-V1427 PolarHBondContact O-N 3.46Å; V1427-T1430 PolarHBondContact O-OG1 3.3Å; V1427-T1430 VanDerWaalsContact O-OG1 3.11Å |
| 1428 | A | 80.7 | Confident | 83.9 | Confident | 67 Ų | 67 | 56.2 Ų | 56.2 | 55% | 0.554 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -70.5 | -28.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | L1424 K1425 L1426 T1430 | L1424-A1428 WeakPolarHBondContact O-CB 3.5Å; L1424-A1428 PolarHBondContact O-N 2.74Å; K1425-A1428 PolarHBondContact O-N 2.74Å; L1426-A1428 VanDerWaalsContact C-N 3.29Å; L1426-A1428 PolarHBondContact O-N 2.96Å; A1428-T1430 VanDerWaalsContact C-N 3.33Å; A1428-T1430 PolarHBondContact O-N 3.03Å |
| 1429 | S | 80 | Confident | 84.1 | Confident | 88 Ų | 88 | 54.7 Ų | 54.7 | 62% | 0.615 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -68.6 | -25.4 | -177.8 | 71.9 | 0 | 0 | 0 | 0 | 114.5 | K1425 L1426 | K1425-S1429 WeakPolarHBondContact O-CB 3.32Å; K1425-S1429 PolarHBondContact O-N 3.1Å; L1426-S1429 PolarHBondContact O-N 2.84Å; L1426-S1429 PolarHBondContact O-OG 2.85Å |
| 1430 | T | 78.2 | Confident | 84.1 | Confident | 29 Ų | 29 | 53.4 Ų | 53.4 | 18% | 0.178 | 30% | 0.297 | C | S | . | . | trans | -76.8 | 141.7 | 177.9 | 10.1 | 0 | 0 | 0 | 0 | 112.6 | K1340 N1411 V1427 A1428 | K1340-T1430 PolarHBondContact NZ-O 2.99Å; N1411-T1430 WeakPolarHBondContact ND2-CG2 3.47Å; N1411-T1430 PolarHBondContact ND2-OG1 3.16Å; V1427-T1430 PolarHBondContact O-OG1 3.3Å; V1427-T1430 VanDerWaalsContact O-OG1 3.11Å; A1428-T1430 VanDerWaalsContact C-N 3.33Å; A1428-T1430 PolarHBondContact O-N 3.03Å | ||
| 1431 | T | 75.3 | Confident | 83.4 | Confident | 99 Ų | 99 | 51.7 Ų | 51.7 | 61% | 0.607 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -75.2 | -65.6 | -172.4 | 51.5 | 0 | 0 | 0 | 0 | 112.8 | K1340 | K1340-T1431 WeakPolarHBondContact CD-O 3.38Å; K1340-T1431 PolarHBondContact NZ-O 3.46Å |
| 1432 | D | 80.1 | Confident | 82.3 | Confident | 116 Ų | 116 | 47.7 Ų | 47.7 | 62% | 0.62 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -124.4 | -36.4 | -159.2 | -45.9 | -69 | 0 | 0 | 0 | 113.9 | K1340 | K1340-D1432 VanDerWaalsContact CB-O 3.23Å; K1340-D1432 WeakPolarHBondContact CB-O 3.43Å; K1340-D1432 PolarHBondContact N-O 3.26Å |
| 1433 | E | 85.6 | Confident | 80.9 | Confident | 107 Ų | 107 | 50.4 Ų | 50.4 | 50% | 0.5 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 151.6 | 174 | -64.6 | -165.6 | 139.5 | 0 | 0 | 110.5 | V1337 | V1337-E1433 HydrophobicContact CG1-CB 3.91Å; V1337-E1433 HydrophobicContact CG1-CG 4.16Å |
| 1434 | V | 89.3 | Confident | 79 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 117.1 | 179.9 | -173.9 | 0 | 0 | 0 | 0 | 109.5 | V1338 L1345 V1410 L1436 | V1338-V1434 PolarHBondContact N-O 2.68Å; V1338-V1434 PolarHBondContact O-N 3.2Å; L1345-V1434 HydrophobicContact CD1-CG2 4.44Å; L1345-V1434 HydrophobicContact CD2-CB 4.35Å; L1345-V1434 HydrophobicContact CD2-CG2 3.92Å; V1410-V1434 HydrophobicContact CG1-CG1 3.93Å; V1434-L1436 HydrophobicContact CG1-CD2 3.82Å; V1434-L1436 HydrophobicContact CG1-CG 4.36Å |
| 1435 | V | 90.1 | Very high | 76.8 | Confident | 44 Ų | 44 | 56.5 Ų | 56.5 | 27% | 0.267 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 121.9 | 172.6 | 176.6 | 0 | 0 | 0 | 0 | 109.5 | V1336 I1379 V1410 N1411 | V1336-V1435 CarbonylContact O-C 3.52Å; V1336-V1435 WeakPolarHBondContact O-CA 3.48Å; I1379-V1435 HydrophobicContact CD1-CB 4.37Å; I1379-V1435 HydrophobicContact CD1-CG1 3.54Å; I1379-V1435 HydrophobicContact CD1-CG2 3.97Å; V1410-V1435 CarbonylContact C-O 3.47Å; V1410-V1435 WeakPolarHBondContact CA-O 3.41Å; N1411-V1435 PolarHBondContact N-O 3.06Å; N1411-V1435 PolarHBondContact OD1-N 2.75Å |
| 1436 | L | 90.3 | Very high | 74.5 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 133.8 | 173.4 | -57.7 | -179.1 | 0 | 0 | 0 | 109.8 | S1335 V1336 V1338 L1347 L1401 L1407 S1409 V1410 V1434 V1438 | S1335-L1436 CarbonylContact C-O 3.41Å; S1335-L1436 VanDerWaalsContact CA-O 3.28Å; S1335-L1436 WeakPolarHBondContact CA-O 3.42Å; V1336-L1436 HydrophobicContact CG2-CB 3.98Å; V1336-L1436 PolarHBondContact N-O 2.74Å; V1336-L1436 PolarHBondContact O-N 3.07Å; V1338-L1436 HydrophobicContact CG2-CD1 3.79Å; V1338-L1436 HydrophobicContact CG2-CG 4.04Å; L1347-L1436 HydrophobicContact CD2-CD1 3.84Å; L1401-L1436 HydrophobicContact CD1-CD1 4.28Å; L1407-L1436 HydrophobicContact CD2-CD1 4.32Å; S1409-L1436 WeakPolarHBondContact O-CA 3.42Å; V1410-L1436 HydrophobicContact CB-CD2 4.45Å; V1410-L1436 HydrophobicContact CG1-CD2 4.4Å; V1410-L1436 HydrophobicContact CG2-CD2 3.83Å; V1434-L1436 HydrophobicContact CG1-CD2 3.82Å; V1434-L1436 HydrophobicContact CG1-CG 4.36Å; L1436-V1438 HydrophobicContact CB-CG2 4.23Å |
| 1437 | T | 89.7 | Confident | 72.3 | Confident | 26 Ų | 26 | 59.9 Ų | 59.9 | 16% | 0.16 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 131.1 | 166.6 | -52.8 | 0 | 0 | 0 | 0 | 109.4 | T1333 S1335 I1408 S1409 | T1333-T1437 HydrophobicContact CG2-CG2 3.95Å; S1335-T1437 PolarHBondContact OG-OG1 2.91Å; S1335-T1437 VanDerWaalsContact OG-OG1 3.08Å; I1408-T1437 HydrophobicContact CD1-CG2 4.25Å; I1408-T1437 PolarHBondContact N-O 3.1Å; S1409-T1437 PolarHBondContact O-N 2.81Å; S1409-T1437 VanDerWaalsContact OG-CB 3.24Å; S1409-T1437 WeakPolarHBondContact OG-CB 3.46Å; S1409-T1437 PolarHBondContact OG-OG1 3.39Å |
| 1438 | V | 89.3 | Confident | 70.1 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 143.8 | -160.6 | -171.1 | 0 | 0 | 0 | 0 | 110 | T1333 Y1334 V1336 L1401 D1405 R1406 L1407 L1436 | T1333-V1438 CarbonylContact C-O 3.58Å; T1333-V1438 VanDerWaalsContact CA-O 3.28Å; T1333-V1438 WeakPolarHBondContact CA-O 3.31Å; Y1334-V1438 HydrophobicContact CD2-CB 4.4Å; Y1334-V1438 HydrophobicContact CE1-CB 4.3Å; Y1334-V1438 HydrophobicContact CE1-CG1 4.28Å; Y1334-V1438 HydrophobicContact CE2-CB 3.91Å; Y1334-V1438 HydrophobicContact CE2-CG1 4.23Å; Y1334-V1438 HydrophobicContact CE2-CG2 4.31Å; Y1334-V1438 PolarHBondContact N-O 2.88Å; Y1334-V1438 PolarHBondContact O-N 2.76Å; Y1334-V1438 WeakPolarHBondContact OH-CG1 3.34Å; V1336-V1438 HydrophobicContact CG2-CG2 4.19Å; L1401-V1438 HydrophobicContact CD2-CG2 3.93Å; D1405-V1438 HydrophobicContact CB-CG1 3.56Å; R1406-V1438 CarbonylContact O-C 3.54Å; R1406-V1438 WeakPolarHBondContact O-CA 3.39Å; L1407-V1438 HydrophobicContact CD2-CG1 4.48Å; L1407-V1438 HydrophobicContact CD2-CG2 3.97Å; L1436-V1438 HydrophobicContact CB-CG2 4.23Å |
| 1439 | V | 85.3 | Confident | 67.9 | Low | 20 Ų | 20 | 68.5 Ų | 68.5 | 12% | 0.121 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 131.9 | 164.5 | -167.3 | 0 | 0 | 0 | 0 | 109.2 | H1331 C1332 R1406 I1408 | H1331-V1439 HydrophobicContact CB-CG1 3.73Å; C1332-V1439 WeakPolarHBondContact O-CA 3.42Å; R1406-V1439 HydrophobicContact CB-CB 4.36Å; R1406-V1439 PolarHBondContact N-O 2.87Å; R1406-V1439 PolarHBondContact O-N 2.99Å; I1408-V1439 HydrophobicContact CD1-CG2 3.51Å; I1408-V1439 HydrophobicContact CG1-CG2 3.73Å |
| 1440 | R | 83 | Confident | 65.7 | Low | 18 Ų | 18 | 68.2 Ų | 68.2 | 7% | 0.068 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 143.6 | 170 | -179 | 171.5 | -64.9 | 158.2 | 2.7 | 110.9 | H1331 C1332 Y1334 Y1400 Q1402 D1405 | H1331-R1440 WeakPolarHBondContact CA-O 3.28Å; C1332-R1440 PolarHBondContact N-O 3.11Å; C1332-R1440 PolarHBondContact O-N 2.88Å; Y1334-R1440 HydrophobicContact CE1-CB 3.83Å; Y1334-R1440 PolarHBondContact OH-NE 3.25Å; Y1334-R1440 PolarHBondContact OH-NH2 2.76Å; Y1400-R1440 PolarHBondContact O-NH2 2.9Å; Q1402-R1440 VanDerWaalsContact CD-CZ 3.41Å; Q1402-R1440 VanDerWaalsContact CG-NH2 3.33Å; D1405-R1440 IonicContact OD1-CZ 2.85Å; D1405-R1440 IonicContact OD1-NE 3.34Å; D1405-R1440 PolarHBondContact OD1-NE 3.09Å; D1405-R1440 IonicContact OD1-NH2 3Å; D1405-R1440 PolarHBondContact OD1-NH2 2.82Å; D1405-R1440 IonicContact OD2-CZ 2.68Å; D1405-R1440 IonicContact OD2-NE 2.97Å; D1405-R1440 IonicContact OD2-NH2 3.93Å; D1405-R1440 PolarHBondContact OD2-NH2 3.1Å |
| 1441 | Y | 69.2 | Low | 63.5 | Low | 33 Ų | 33 | 71 Ų | 71 | 13% | 0.129 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 126.9 | 170.3 | -179.6 | -96.1 | 0 | 0 | 0 | 111.4 | R1330 H1331 K1443 C1486 H1489 | R1330-Y1441 HydrophobicContact CB-CD2 4.07Å; R1330-Y1441 HydrophobicContact CB-CE2 3.71Å; R1330-Y1441 WeakPolarHBondContact CD-OH 3.28Å; R1330-Y1441 HydrophobicContact CG-CE2 4.41Å; R1330-Y1441 PolarHBondContact NH1-OH 2.94Å; R1330-Y1441 CarbonylContact O-C 3.56Å; R1330-Y1441 WeakPolarHBondContact O-CA 3.49Å; H1331-Y1441 AromaticContact NE2-CD2 3.97Å; Y1441-K1443 HydrophobicContact CD1-CB 4.46Å; Y1441-K1443 PolarHBondContact O-N 3.13Å; Y1441-C1486 HydrophobicContact CE2-CB 4.03Å; Y1441-C1486 WeakPolarHBondContact CE2-SG 3.46Å; Y1441-H1489 AromaticContact CD1-CE1 3.88Å; Y1441-H1489 AromaticContact CD1-ND1 3.74Å; Y1441-H1489 AromaticContact CG-ND1 3.81Å |
| 1442 | A | 60.6 | Low | 61.7 | Low | 21 Ų | 21 | 70.9 Ų | 70.9 | 17% | 0.174 | 38% | 0.376 | C | S | . | . | trans | -76.3 | 98.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | R1330 L1395 Q1444 | R1330-A1442 WeakPolarHBondContact O-CB 3.49Å; R1330-A1442 PolarHBondContact O-N 3.48Å; L1395-A1442 HydrophobicContact CD1-CB 4.15Å; L1395-A1442 HydrophobicContact CD2-CB 3.85Å; A1442-Q1444 PolarHBondContact O-N 2.96Å | ||
| 1443 | K | 54.4 | Low | 59.5 | Low | 116 Ų | 116 | 70.5 Ų | 70.5 | 50% | 0.504 | 37% | 0.374 | S | S | . | . | trans | -76.3 | 118.2 | -179.6 | -169.2 | 168 | 172.6 | -78.3 | 0 | 110.4 | Y1441 D1445 | Y1441-K1443 HydrophobicContact CD1-CB 4.46Å; Y1441-K1443 PolarHBondContact O-N 3.13Å; K1443-D1445 IonicContact NZ-OD1 2.89Å; K1443-D1445 PolarHBondContact NZ-OD1 3.12Å; K1443-D1445 PolarHBondContact O-N 3.03Å | ||
| 1444 | Q | 44 | Very low | 57.1 | Low | 102 Ų | 102 | 71.3 Ų | 71.3 | 48% | 0.477 | 38% | 0.381 | S | S | . | . | trans | -81.4 | 97.9 | 172.7 | -76.8 | 176.9 | 25.8 | 0 | 0 | 109.5 | A1442 A1446 | A1442-Q1444 PolarHBondContact O-N 2.96Å; Q1444-A1446 PolarHBondContact O-N 3.12Å | ||
| 1445 | D | 36.3 | Very low | 54.5 | Low | 107 Ų | 107 | 76.7 Ų | 76.7 | 57% | 0.572 | 41% | 0.414 | S | S | * | . | trans | -75.3 | 50.1 | 175.5 | -71.3 | -35.5 | 0 | 0 | 0 | 112.6 | K1443 E1447 | K1443-D1445 IonicContact NZ-OD1 2.89Å; K1443-D1445 PolarHBondContact NZ-OD1 3.12Å; K1443-D1445 PolarHBondContact O-N 3.03Å; D1445-E1447 VanDerWaalsContact C-N 3.28Å; D1445-E1447 PolarHBondContact O-N 3.23Å | ||
| 1446 | A | 37.1 | Very low | 51.8 | Low | 59 Ų | 59 | 77.6 Ų | 77.6 | 49% | 0.488 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -69.4 | -23.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q1444 Y1448 S1449 | Q1444-A1446 PolarHBondContact O-N 3.12Å; A1446-Y1448 PolarHBondContact O-N 2.89Å; A1446-S1449 PolarHBondContact O-N 3.21Å |
| 1447 | E | 37.3 | Very low | 49.3 | Very low | 174 Ų | 174 | 82.1 Ų | 82.1 | 81% | 0.813 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -71.9 | -6.9 | -174 | -62.3 | -178.9 | 138.1 | 0 | 0 | 114.6 | D1445 | D1445-E1447 VanDerWaalsContact C-N 3.28Å; D1445-E1447 PolarHBondContact O-N 3.23Å |
| 1448 | Y | 36.4 | Very low | 46.6 | Very low | 207 Ų | 207 | 88 Ų | 88 | 81% | 0.812 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -108.7 | -3.7 | 177.7 | -97.2 | -94.7 | 0 | 0 | 0 | 115.1 | A1446 | A1446-Y1448 PolarHBondContact O-N 2.89Š|
| 1449 | S | 34.3 | Very low | 43.9 | Very low | 68 Ų | 68 | 91.8 Ų | 91.8 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -29.4 | -175.7 | -65.1 | 0 | 0 | 0 | 0 | 114.5 | A1446 L1453 | A1446-S1449 PolarHBondContact O-N 3.21Å; S1449-L1453 PolarHBondContact O-N 3.03Å; S1449-L1453 VanDerWaalsContact O-N 3.14Å |
| 1450 | T | 33.1 | Very low | 41.4 | Very low | 82 Ų | 82 | 100.9 Ų | 100.9 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.4 | -45.9 | -172.9 | 40.1 | 0 | 0 | 0 | 0 | 113.3 | T1452 L1453 I1454 | T1450-T1452 PolarHBondContact O-N 3.47Å; T1450-L1453 PolarHBondContact O-N 3.35Å; T1450-I1454 WeakPolarHBondContact O-CG1 3.34Å; T1450-I1454 PolarHBondContact O-N 2.75Å |
| 1451 | S | 33.4 | Very low | 38.9 | Very low | 86 Ų | 86 | 105.5 Ų | 105.5 | 60% | 0.601 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.1 | -30.9 | 178.5 | -50.9 | 0 | 0 | 0 | 0 | 113 | T1455 | S1451-T1455 PolarHBondContact O-OG1 2.91Å |
| 1452 | T | 37.1 | Very low | 37.3 | Very low | 97 Ų | 97 | 111.8 Ų | 111.8 | 60% | 0.595 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -80.2 | -41.6 | 178.8 | -44.2 | 0 | 0 | 0 | 0 | 111.7 | T1450 T1455 A1456 | T1450-T1452 PolarHBondContact O-N 3.47Å; T1452-T1455 PolarHBondContact O-N 2.99Å; T1452-A1456 WeakPolarHBondContact O-CB 3.33Å; T1452-A1456 PolarHBondContact O-N 3.08Å |
| 1453 | L | 33.4 | Very low | 36.1 | Very low | 108 Ų | 108 | 119.4 Ų | 119.4 | 57% | 0.565 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71.8 | -34.4 | -179.3 | -91.7 | 158 | 0 | 0 | 0 | 114 | S1449 T1450 T1455 A1456 T1457 | S1449-L1453 PolarHBondContact O-N 3.03Å; S1449-L1453 VanDerWaalsContact O-N 3.14Å; T1450-L1453 PolarHBondContact O-N 3.35Å; L1453-T1455 PolarHBondContact O-N 3.11Å; L1453-A1456 PolarHBondContact O-N 2.87Å; L1453-T1457 WeakPolarHBondContact O-CG2 3.44Å; L1453-T1457 PolarHBondContact O-N 2.94Å; L1453-T1457 PolarHBondContact O-OG1 3.33Å |
| 1454 | I | 34.8 | Very low | 35.1 | Very low | 125 Ų | 125 | 118.7 Ų | 118.7 | 64% | 0.641 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67.7 | -27.7 | 174.3 | -66.9 | 169.5 | 0 | 0 | 0 | 111 | T1450 | T1450-I1454 WeakPolarHBondContact O-CG1 3.34Å; T1450-I1454 PolarHBondContact O-N 2.75Å |
| 1455 | T | 35.4 | Very low | 34.4 | Very low | 114 Ų | 114 | 118.9 Ų | 118.9 | 70% | 0.699 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -82.1 | -34.8 | 176.5 | -52.1 | 0 | 0 | 0 | 0 | 112.2 | S1451 T1452 L1453 | S1451-T1455 PolarHBondContact O-OG1 2.91Å; T1452-T1455 PolarHBondContact O-N 2.99Å; L1453-T1455 PolarHBondContact O-N 3.11Å |
| 1456 | A | 34.7 | Very low | 34 | Very low | 62 Ų | 62 | 118.8 Ų | 118.8 | 51% | 0.512 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -77.5 | -21.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | T1452 L1453 K1458 | T1452-A1456 WeakPolarHBondContact O-CB 3.33Å; T1452-A1456 PolarHBondContact O-N 3.08Å; L1453-A1456 PolarHBondContact O-N 2.87Å; A1456-K1458 PolarHBondContact O-N 2.88Å |
| 1457 | T | 36.5 | Very low | 33.6 | Very low | 99 Ų | 99 | 124.4 Ų | 124.4 | 61% | 0.607 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 0.5 | -169.8 | 42.2 | 0 | 0 | 0 | 0 | 115.5 | L1453 S1459 | L1453-T1457 WeakPolarHBondContact O-CG2 3.44Å; L1453-T1457 PolarHBondContact O-N 2.94Å; L1453-T1457 PolarHBondContact O-OG1 3.33Å; T1457-S1459 VanDerWaalsContact C-N 3.3Å; T1457-S1459 PolarHBondContact O-N 3.12Å |
| 1458 | K | 33.7 | Very low | 33.2 | Very low | 149 Ų | 149 | 123.6 Ų | 123.6 | 65% | 0.648 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 16.1 | 174 | -75.7 | -171.7 | 175.8 | 178.9 | 0 | 114.5 | A1456 T1744 | A1456-K1458 PolarHBondContact O-N 2.88Å; K1458-T1744 PolarHBondContact NZ-OG1 3.12Å |
| 1459 | S | 31.1 | Very low | 32.7 | Very low | 81 Ų | 81 | 120.9 Ų | 120.9 | 57% | 0.566 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -132 | 151.2 | 174.3 | 72.1 | 0 | 0 | 0 | 0 | 112.2 | T1457 | T1457-S1459 VanDerWaalsContact C-N 3.3Å; T1457-S1459 PolarHBondContact O-N 3.12Å |
| 1460 | F | 32.7 | Very low | 32.3 | Very low | 211 Ų | 211 | 122.2 Ų | 122.2 | 93% | 0.925 | 70% | 0.695 | S | S | * | * | trans | 63.9 | 90.8 | -174.2 | -72 | -87 | 0 | 0 | 0 | 117.5 | ||||
| 1461 | S | 31.7 | Very low | 32.1 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | trans | -119.3 | 122.4 | 153.5 | 62.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1462 | K | 35.5 | Very low | 31.9 | Very low | 165 Ų | 165 | 129.9 Ų | 129.9 | 72% | 0.717 | 73% | 0.727 | S | S | * | * | trans | -173.6 | 94.9 | 154.5 | -109.3 | 174.2 | -176.1 | -173.7 | 0 | 112 | H1695 | K1462-H1695 PolarHBondContact NZ-CE1 3.33Š| ||
| 1463 | Q | 34.5 | Very low | 31.5 | Very low | 181 Ų | 181 | 132.5 Ų | 132.5 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | trans | 27.3 | 154 | 135.5 | -73.6 | -166 | -19.9 | 0 | 0 | 122.3 | ||||
| 1464 | P | 34.9 | Very low | 31.4 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 66% | 0.656 | 75% | 0.749 | S | S | * | * | cis | -148.3 | 179.2 | -29.6 | 40.9 | -22.9 | 0 | 0 | 0 | 116.5 | ||||
| 1465 | S | 28 | Very low | 31.1 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | 99.4 | 136.5 | 134.4 | 76 | 0 | 0 | 0 | 0 | 122 | ||||
| 1466 | S | 28.7 | Very low | 30.9 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | 74.2 | 141.2 | 173.2 | 78.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 1467 | Q | 29 | Very low | 30.9 | Very low | 177 Ų | 177 | 139 Ų | 139 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | trans | 62.3 | 81.4 | 168.2 | -52.2 | -174.9 | 29 | 0 | 0 | 118.2 | ||||
| 1468 | L | 28.2 | Very low | 30.9 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | -179.3 | 129.4 | 112.1 | -117.5 | 67.9 | 0 | 0 | 0 | 110.5 | |||||
| 1469 | T | 25.6 | Very low | 31.2 | Very low | 149 Ų | 149 | 136 Ų | 136 | 91% | 0.914 | 76% | 0.761 | S | S | * | * | trans | -123.1 | 71.8 | -179.6 | 50.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 1470 | S | 27.1 | Very low | 31.7 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | trans | -169.6 | 64.9 | 176.3 | 59.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1471 | M | 28.8 | Very low | 32.2 | Very low | 194 Ų | 194 | 129.3 Ų | 129.3 | 96% | 0.956 | 73% | 0.728 | S | S | * | * | trans | -159.7 | 63.9 | 173.7 | -127.1 | 170.4 | 178.8 | 0 | 0 | 114.2 | ||||
| 1472 | V | 28.5 | Very low | 33 | Very low | 136 Ų | 136 | 132 Ų | 132 | 82% | 0.824 | 73% | 0.728 | S | S | * | * | trans | -132.8 | 157.3 | 160 | -174.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1473 | D | 29 | Very low | 33.9 | Very low | 151 Ų | 151 | 125.7 Ų | 125.7 | 81% | 0.807 | 70% | 0.704 | S | S | * | * | trans | 83.2 | 111.9 | -170.9 | -56.6 | -18.8 | 0 | 0 | 0 | 115.6 | ||||
| 1474 | S | 31.2 | Very low | 34.9 | Very low | 115 Ų | 115 | 120.2 Ų | 120.2 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | trans | -158.6 | 20.7 | 171.7 | -73.3 | 0 | 0 | 0 | 0 | 113.8 | S1476 | S1474-S1476 VanDerWaalsContact C-N 3.33Å; S1474-S1476 PolarHBondContact O-N 3.24Å; S1474-S1476 VanDerWaalsContact O-N 3.11Å | ||
| 1475 | E | 29.3 | Very low | 35.8 | Very low | 205 Ų | 205 | 117.6 Ų | 117.6 | 96% | 0.958 | 66% | 0.661 | S | S | * | * | trans | -84.5 | 68.1 | 175.3 | -68 | -157.7 | 125.7 | 0 | 0 | 112 | ||||
| 1476 | S | 31.1 | Very low | 37.4 | Very low | 93 Ų | 93 | 112.9 Ų | 112.9 | 65% | 0.65 | 63% | 0.628 | S | S | * | * | trans | -145.8 | 55.8 | -175.2 | 70 | 0 | 0 | 0 | 0 | 114 | S1474 | S1474-S1476 VanDerWaalsContact C-N 3.33Å; S1474-S1476 PolarHBondContact O-N 3.24Å; S1474-S1476 VanDerWaalsContact O-N 3.11Å | ||
| 1477 | K | 34.1 | Very low | 38.8 | Very low | 132 Ų | 132 | 110.9 Ų | 110.9 | 57% | 0.574 | 61% | 0.608 | S | S | * | * | trans | -143 | 60.6 | 179.1 | -74.1 | -170.9 | 174.8 | -179.8 | 0 | 114.4 | ||||
| 1478 | V | 37.1 | Very low | 40.1 | Very low | 123 Ų | 123 | 103.7 Ų | 103.7 | 75% | 0.745 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -126.7 | -30.2 | 170.1 | -174.5 | 0 | 0 | 0 | 0 | 112.5 | D1480 | V1478-D1480 VanDerWaalsContact C-N 3.34Å; V1478-D1480 PolarHBondContact O-N 3.08Å |
| 1479 | S | 39.5 | Very low | 41.7 | Very low | 63 Ų | 63 | 97.2 Ų | 97.2 | 44% | 0.441 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -67.5 | -23.4 | -171 | -11.5 | 0 | 0 | 0 | 0 | 114.9 | E760 L1481 | E760-S1479 PolarHBondContact OE1-OG 3.03Å; S1479-L1481 VanDerWaalsContact C-N 3.31Å; S1479-L1481 PolarHBondContact O-N 3.34Å |
| 1480 | D | 41.2 | Very low | 43.3 | Very low | 63 Ų | 63 | 94.9 Ų | 94.9 | 34% | 0.337 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -67.6 | -18.2 | -177 | -74.7 | -29 | 0 | 0 | 0 | 115.5 | R1330 V1478 Q1482 | R1330-D1480 IonicContact CZ-OD2 3.4Å; R1330-D1480 IonicContact NE-OD2 3.32Å; R1330-D1480 PolarHBondContact NE-OD2 3.13Å; R1330-D1480 IonicContact NH2-OD2 2.84Å; R1330-D1480 PolarHBondContact NH2-OD2 3.26Å; V1478-D1480 VanDerWaalsContact C-N 3.34Å; V1478-D1480 PolarHBondContact O-N 3.08Å; D1480-Q1482 PolarHBondContact O-N 3.26Å |
| 1481 | L | 43.3 | Very low | 44.6 | Very low | 88 Ų | 88 | 93 Ų | 93 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -70.7 | -1.2 | -168.7 | -106 | 70.3 | 0 | 0 | 0 | 114.8 | S1479 C1483 | S1479-L1481 VanDerWaalsContact C-N 3.31Å; S1479-L1481 PolarHBondContact O-N 3.34Å; L1481-C1483 VanDerWaalsContact C-N 3.34Å; L1481-C1483 PolarHBondContact O-N 3.03Å |
| 1482 | Q | 48.1 | Very low | 45.8 | Very low | 172 Ų | 172 | 86.2 Ų | 86.2 | 80% | 0.804 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -87.3 | 4 | -176.7 | -60.7 | -179.9 | -3.3 | 0 | 0 | 114.2 | D1480 | D1480-Q1482 PolarHBondContact O-N 3.26Š|
| 1483 | C | 54 | Low | 47.2 | Very low | 32 Ų | 32 | 82 Ų | 82 | 22% | 0.216 | 45% | 0.447 | C | S | . | . | trans | -80.7 | 125.8 | 178.8 | 177 | 0 | 0 | 0 | 0 | 111.6 | L1481 D1485 C1486 L1487 | L1481-C1483 VanDerWaalsContact C-N 3.34Å; L1481-C1483 PolarHBondContact O-N 3.03Å; C1483-D1485 VanDerWaalsContact C-N 3.33Å; C1483-D1485 PolarHBondContact O-N 3.34Å; C1483-C1486 HydrophobicContact CB-CB 4.29Å; C1483-C1486 WeakPolarHBondContact O-CA 3.45Å; C1483-C1486 VanDerWaalsContact O-CB 3.28Å; C1483-C1486 WeakPolarHBondContact O-CB 3.26Å; C1483-C1486 PolarHBondContact O-N 3.42Å; C1483-L1487 PolarHBondContact O-N 2.84Å | ||
| 1484 | I | 56.1 | Low | 48.2 | Very low | 66 Ų | 66 | 77.5 Ų | 77.5 | 34% | 0.338 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -53.7 | -45.1 | -177.8 | -64.3 | 167 | 0 | 0 | 0 | 112.2 | Y1356 C1486 L1487 L1488 | Y1356-I1484 HydrophobicContact CD2-CD1 3.75Å; Y1356-I1484 HydrophobicContact CD2-CG1 4.4Å; Y1356-I1484 HydrophobicContact CE2-CD1 3.78Å; Y1356-I1484 HydrophobicContact CE2-CG1 4.05Å; I1484-C1486 VanDerWaalsContact C-N 3.25Å; I1484-C1486 PolarHBondContact O-N 2.89Å; I1484-L1487 PolarHBondContact O-N 3.49Å; I1484-L1488 HydrophobicContact CG2-CD1 3.93Å; I1484-L1488 HydrophobicContact CG2-CG 4.35Å; I1484-L1488 WeakPolarHBondContact O-CG 3.42Å; I1484-L1488 PolarHBondContact O-N 2.96Å |
| 1485 | D | 54.7 | Low | 48.8 | Very low | 46 Ų | 46 | 76.8 Ų | 76.8 | 25% | 0.246 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.2 | -31.8 | 177.7 | -72.2 | -68.7 | 0 | 0 | 0 | 112.5 | H1331 Y1363 R1406 C1483 H1489 | H1331-D1485 WeakPolarHBondContact NE2-CB 3.34Å; Y1363-D1485 PolarHBondContact OH-OD1 2.97Å; R1406-D1485 WeakPolarHBondContact CD-OD1 3.41Å; R1406-D1485 IonicContact CZ-OD1 3.81Å; R1406-D1485 IonicContact NE-OD1 3.1Å; R1406-D1485 IonicContact NH1-OD1 2.75Å; R1406-D1485 PolarHBondContact NH1-OD1 2.81Å; R1406-D1485 IonicContact NH1-OD2 3.21Å; C1483-D1485 VanDerWaalsContact C-N 3.33Å; C1483-D1485 PolarHBondContact O-N 3.34Å; D1485-H1489 WeakPolarHBondContact O-CB 3.43Å; D1485-H1489 PolarHBondContact O-N 3Å |
| 1486 | C | 60.8 | Low | 49.3 | Very low | 7 Ų | 7 | 70.2 Ų | 70.2 | 5% | 0.047 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.7 | -45.6 | 175.7 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | H1331 Y1441 C1483 I1484 H1489 E1490 | H1331-C1486 PolarHBondContact CE1-SG 3Å; Y1441-C1486 HydrophobicContact CE2-CB 4.03Å; Y1441-C1486 WeakPolarHBondContact CE2-SG 3.46Å; C1483-C1486 HydrophobicContact CB-CB 4.29Å; C1483-C1486 WeakPolarHBondContact O-CA 3.45Å; C1483-C1486 VanDerWaalsContact O-CB 3.28Å; C1483-C1486 WeakPolarHBondContact O-CB 3.26Å; C1483-C1486 PolarHBondContact O-N 3.42Å; I1484-C1486 VanDerWaalsContact C-N 3.25Å; I1484-C1486 PolarHBondContact O-N 2.89Å; C1486-H1489 PolarHBondContact O-N 3.48Å; C1486-E1490 PolarHBondContact O-N 2.88Å |
| 1487 | L | 57.5 | Low | 49.8 | Very low | 63 Ų | 63 | 72.6 Ų | 72.6 | 33% | 0.33 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 179 | -66.5 | 167.5 | 0 | 0 | 0 | 111.5 | C1483 I1484 S1491 | C1483-L1487 PolarHBondContact O-N 2.84Å; I1484-L1487 PolarHBondContact O-N 3.49Å; L1487-S1491 VanDerWaalsContact O-CB 3.29Å; L1487-S1491 WeakPolarHBondContact O-CB 3.42Å; L1487-S1491 PolarHBondContact O-N 3.37Å; L1487-S1491 PolarHBondContact O-OG 2.96Å |
| 1488 | L | 57 | Low | 49.8 | Very low | 27 Ų | 27 | 72.2 Ų | 72.2 | 14% | 0.141 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.5 | -40 | 173 | -69.8 | 176 | 0 | 0 | 0 | 111.9 | Y1363 I1484 S1491 L1492 | Y1363-L1488 WeakPolarHBondContact OH-CD1 3.32Å; I1484-L1488 HydrophobicContact CG2-CD1 3.93Å; I1484-L1488 HydrophobicContact CG2-CG 4.35Å; I1484-L1488 WeakPolarHBondContact O-CG 3.42Å; I1484-L1488 PolarHBondContact O-N 2.96Å; L1488-S1491 PolarHBondContact O-N 3.28Å; L1488-L1492 WeakPolarHBondContact O-CB 3.38Å; L1488-L1492 VanDerWaalsContact O-CG 3.3Å; L1488-L1492 WeakPolarHBondContact O-CG 3.27Å; L1488-L1492 PolarHBondContact O-N 3.18Å |
| 1489 | H | 61.9 | Low | 49.5 | Very low | 20 Ų | 20 | 73.3 Ų | 73.3 | 9% | 0.093 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 178.3 | -177 | -98.9 | 0 | 0 | 0 | 112.6 | Y1441 D1485 C1486 L1492 L1493 | Y1441-H1489 AromaticContact CD1-CE1 3.88Å; Y1441-H1489 AromaticContact CD1-ND1 3.74Å; Y1441-H1489 AromaticContact CG-ND1 3.81Å; D1485-H1489 WeakPolarHBondContact O-CB 3.43Å; D1485-H1489 PolarHBondContact O-N 3Å; C1486-H1489 PolarHBondContact O-N 3.48Å; H1489-L1492 PolarHBondContact O-N 3.12Å; H1489-L1493 WeakPolarHBondContact CE1-CD1 3.26Å; H1489-L1493 WeakPolarHBondContact O-CB 3.44Å; H1489-L1493 WeakPolarHBondContact O-CG 3.36Å; H1489-L1493 PolarHBondContact O-N 2.85Å |
| 1490 | E | 58 | Low | 49.4 | Very low | 100 Ų | 100 | 73 Ų | 73 | 47% | 0.467 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 172.2 | -75.3 | -149.2 | 111.4 | 0 | 0 | 112.4 | C1486 L1493 S1494 | C1486-E1490 PolarHBondContact O-N 2.88Å; E1490-L1493 PolarHBondContact O-N 2.96Å; E1490-S1494 VanDerWaalsContact O-CB 3.3Å; E1490-S1494 WeakPolarHBondContact O-CB 3.28Å; E1490-S1494 PolarHBondContact O-N 3.15Å; E1490-S1494 PolarHBondContact O-OG 3.11Å |
| 1491 | S | 55.4 | Low | 49 | Very low | 58 Ų | 58 | 79.3 Ų | 79.3 | 41% | 0.406 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 176.2 | -63.2 | 0 | 0 | 0 | 0 | 111.6 | L1487 L1488 S1494 N1495 | L1487-S1491 VanDerWaalsContact O-CB 3.29Å; L1487-S1491 WeakPolarHBondContact O-CB 3.42Å; L1487-S1491 PolarHBondContact O-N 3.37Å; L1487-S1491 PolarHBondContact O-OG 2.96Å; L1488-S1491 PolarHBondContact O-N 3.28Å; S1491-S1494 PolarHBondContact O-N 3.09Å; S1491-N1495 PolarHBondContact O-N 2.96Å; S1491-N1495 PolarHBondContact O-ND2 2.73Å |
| 1492 | L | 54.9 | Low | 48.3 | Very low | 50 Ų | 50 | 77.7 Ų | 77.7 | 26% | 0.262 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.5 | -45.4 | 175.9 | -74.5 | 170 | 0 | 0 | 0 | 111.6 | Y1363 L1488 H1489 S1494 Y1496 | Y1363-L1492 HydrophobicContact CD1-CD1 3.63Å; Y1363-L1492 HydrophobicContact CD2-CD1 4.17Å; Y1363-L1492 HydrophobicContact CE1-CD1 4.14Å; Y1363-L1492 HydrophobicContact CG-CD1 3.64Å; L1488-L1492 WeakPolarHBondContact O-CB 3.38Å; L1488-L1492 VanDerWaalsContact O-CG 3.3Å; L1488-L1492 WeakPolarHBondContact O-CG 3.27Å; L1488-L1492 PolarHBondContact O-N 3.18Å; H1489-L1492 PolarHBondContact O-N 3.12Å; L1492-S1494 VanDerWaalsContact C-N 3.32Å; L1492-S1494 PolarHBondContact O-N 3.1Å; L1492-Y1496 WeakPolarHBondContact O-CB 3.47Å; L1492-Y1496 PolarHBondContact O-N 3.35Å |
| 1493 | L | 57.8 | Low | 47.3 | Very low | 48 Ų | 48 | 76.3 Ų | 76.3 | 25% | 0.251 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.2 | -34.2 | 176.8 | -78.4 | 178.9 | 0 | 0 | 0 | 113.1 | H1489 E1490 K1497 | H1489-L1493 WeakPolarHBondContact CE1-CD1 3.26Å; H1489-L1493 WeakPolarHBondContact O-CB 3.44Å; H1489-L1493 WeakPolarHBondContact O-CG 3.36Å; H1489-L1493 PolarHBondContact O-N 2.85Å; E1490-L1493 PolarHBondContact O-N 2.96Å; L1493-K1497 WeakPolarHBondContact O-CB 3.46Å; L1493-K1497 WeakPolarHBondContact O-CG 3.3Å; L1493-K1497 PolarHBondContact O-N 3.2Å |
| 1494 | S | 48.9 | Very low | 46.2 | Very low | 56 Ų | 56 | 81.6 Ų | 81.6 | 39% | 0.392 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70.7 | -51.5 | 178.7 | -58.7 | 0 | 0 | 0 | 0 | 111 | E1490 S1491 L1492 Y1496 K1497 E1498 | E1490-S1494 VanDerWaalsContact O-CB 3.3Å; E1490-S1494 WeakPolarHBondContact O-CB 3.28Å; E1490-S1494 PolarHBondContact O-N 3.15Å; E1490-S1494 PolarHBondContact O-OG 3.11Å; S1491-S1494 PolarHBondContact O-N 3.09Å; L1492-S1494 VanDerWaalsContact C-N 3.32Å; L1492-S1494 PolarHBondContact O-N 3.1Å; S1494-Y1496 PolarHBondContact O-N 3.08Å; S1494-K1497 PolarHBondContact O-N 3.37Å; S1494-K1497 VanDerWaalsContact O-N 3.16Å; S1494-E1498 PolarHBondContact O-N 2.97Å |
| 1495 | N | 44 | Very low | 44.9 | Very low | 100 Ų | 100 | 83.1 Ų | 83.1 | 54% | 0.535 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.4 | -34 | 173.6 | -76.5 | -87.4 | 0 | 0 | 0 | 112 | S1491 F1499 | S1491-N1495 PolarHBondContact O-N 2.96Å; S1491-N1495 PolarHBondContact O-ND2 2.73Å; N1495-F1499 PolarHBondContact O-N 2.94Å; N1495-F1499 VanDerWaalsContact O-N 3.09Å |
| 1496 | Y | 40 | Very low | 43.7 | Very low | 68 Ų | 68 | 87.9 Ų | 87.9 | 27% | 0.267 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -74.8 | -34.6 | 177.1 | -165.3 | -105.6 | 0 | 0 | 0 | 113 | R1365 I1403 L1492 S1494 E1498 F1499 V1500 | R1365-Y1496 WeakPolarHBondContact O-CE2 3.25Å; I1403-Y1496 HydrophobicContact CB-CD1 4.47Å; I1403-Y1496 HydrophobicContact CB-CE1 4.03Å; I1403-Y1496 HydrophobicContact CD1-CE1 4.01Å; I1403-Y1496 WeakPolarHBondContact CD1-OH 3.38Å; I1403-Y1496 HydrophobicContact CG1-CE1 3.97Å; I1403-Y1496 HydrophobicContact CG1-CE2 4.32Å; I1403-Y1496 WeakPolarHBondContact CG1-OH 3.24Å; I1403-Y1496 HydrophobicContact CG2-CD1 3.88Å; I1403-Y1496 HydrophobicContact CG2-CD2 3.93Å; I1403-Y1496 HydrophobicContact CG2-CE1 3.81Å; I1403-Y1496 HydrophobicContact CG2-CE2 3.86Å; I1403-Y1496 HydrophobicContact CG2-CG 3.93Å; L1492-Y1496 WeakPolarHBondContact O-CB 3.47Å; L1492-Y1496 PolarHBondContact O-N 3.35Å; S1494-Y1496 PolarHBondContact O-N 3.08Å; Y1496-E1498 VanDerWaalsContact C-N 3.27Å; Y1496-E1498 PolarHBondContact O-N 2.94Å; Y1496-F1499 PolarHBondContact O-N 3.05Å; Y1496-V1500 HydrophobicContact CD1-CB 4.3Å; Y1496-V1500 HydrophobicContact CD1-CG2 3.99Å; Y1496-V1500 HydrophobicContact CD2-CG2 3.95Å; Y1496-V1500 HydrophobicContact CE1-CB 4.06Å; Y1496-V1500 HydrophobicContact CE1-CG1 4.29Å; Y1496-V1500 HydrophobicContact CE1-CG2 3.58Å; Y1496-V1500 HydrophobicContact CE2-CG2 3.51Å; Y1496-V1500 HydrophobicContact CG-CG2 4.17Å; Y1496-V1500 WeakPolarHBondContact O-CB 3.45Å; Y1496-V1500 PolarHBondContact O-N 3.28Å |
| 1497 | K | 40.6 | Very low | 42.2 | Very low | 142 Ų | 142 | 90.7 Ų | 90.7 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.9 | -35 | 172.1 | -85.3 | 176.5 | 173.7 | -179.2 | 0 | 112.2 | L1493 S1494 K1501 | L1493-K1497 WeakPolarHBondContact O-CB 3.46Å; L1493-K1497 WeakPolarHBondContact O-CG 3.3Å; L1493-K1497 PolarHBondContact O-N 3.2Å; S1494-K1497 PolarHBondContact O-N 3.37Å; S1494-K1497 VanDerWaalsContact O-N 3.16Å; K1497-K1501 WeakPolarHBondContact O-CG 3.22Å; K1497-K1501 PolarHBondContact O-N 3.26Å |
| 1498 | E | 34.3 | Very low | 40.9 | Very low | 124 Ų | 124 | 94.4 Ų | 94.4 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.2 | -41.7 | 172.9 | -65.7 | -174.1 | 143.4 | 0 | 0 | 111.7 | S1494 Y1496 | S1494-E1498 PolarHBondContact O-N 2.97Å; Y1496-E1498 VanDerWaalsContact C-N 3.27Å; Y1496-E1498 PolarHBondContact O-N 2.94Å |
| 1499 | F | 32.4 | Very low | 39.7 | Very low | 147 Ų | 147 | 99.3 Ų | 99.3 | 65% | 0.645 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -72.6 | -28.7 | 178.6 | -102.8 | -90.9 | 0 | 0 | 0 | 115.2 | N1495 Y1496 G1502 | N1495-F1499 PolarHBondContact O-N 2.94Å; N1495-F1499 VanDerWaalsContact O-N 3.09Å; Y1496-F1499 PolarHBondContact O-N 3.05Å; F1499-G1502 PolarHBondContact O-N 3.05Å |
| 1500 | V | 36.5 | Very low | 38.2 | Very low | 57 Ų | 57 | 105 Ų | 105 | 35% | 0.345 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -104.2 | -3.3 | -174 | 174.5 | 0 | 0 | 0 | 0 | 114.1 | Y1496 G1502 | Y1496-V1500 HydrophobicContact CD1-CB 4.3Å; Y1496-V1500 HydrophobicContact CD1-CG2 3.99Å; Y1496-V1500 HydrophobicContact CD2-CG2 3.95Å; Y1496-V1500 HydrophobicContact CE1-CB 4.06Å; Y1496-V1500 HydrophobicContact CE1-CG1 4.29Å; Y1496-V1500 HydrophobicContact CE1-CG2 3.58Å; Y1496-V1500 HydrophobicContact CE2-CG2 3.51Å; Y1496-V1500 HydrophobicContact CG-CG2 4.17Å; Y1496-V1500 WeakPolarHBondContact O-CB 3.45Å; Y1496-V1500 PolarHBondContact O-N 3.28Å; V1500-G1502 PolarHBondContact O-N 3.18Å |
| 1501 | K | 32.7 | Very low | 36.8 | Very low | 194 Ų | 194 | 107 Ų | 107 | 84% | 0.843 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -0.2 | 152.3 | -74.6 | -174.9 | 174.6 | -176.1 | 0 | 113 | K1497 | K1497-K1501 WeakPolarHBondContact O-CG 3.22Å; K1497-K1501 PolarHBondContact O-N 3.26Å |
| 1502 | G | 29.5 | Very low | 35.4 | Very low | 55 Ų | 55 | 111.1 Ų | 111.1 | 57% | 0.567 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -50.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F1499 V1500 | F1499-G1502 PolarHBondContact O-N 3.05Å; V1500-G1502 PolarHBondContact O-N 3.18Å |
| 1503 | D | 27.4 | Very low | 34 | Very low | 143 Ų | 143 | 115.8 Ų | 115.8 | 77% | 0.765 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -133.8 | 98.4 | -172.1 | -73.9 | -64.4 | 0 | 0 | 0 | 111.9 | ||
| 1504 | N | 29.3 | Very low | 32.4 | Very low | 143 Ų | 143 | 120.7 Ų | 120.7 | 77% | 0.765 | 65% | 0.646 | S | S | * | * | trans | -163.2 | 137 | 149 | -102.4 | -46.7 | 0 | 0 | 0 | 113 | ||||
| 1505 | S | 28.5 | Very low | 31.4 | Very low | 98 Ų | 98 | 124.8 Ų | 124.8 | 69% | 0.685 | 66% | 0.662 | S | S | * | * | trans | -42.8 | 152.8 | 170.3 | 26.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1506 | L | 29.7 | Very low | 30.4 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 76% | 0.764 | 67% | 0.672 | S | S | * | * | cis | 80.6 | 100.5 | 38.9 | -172.2 | 79.6 | 0 | 0 | 0 | 114.3 | P307 | P307-L1506 HydrophobicContact CG-CD2 3.86Š| ||
| 1507 | G | 29.7 | Very low | 29.9 | Very low | 66 Ų | 66 | 130.8 Ų | 130.8 | 68% | 0.68 | 70% | 0.698 | S | S | * | * | trans | 85.9 | 157.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1508 | D | 30.6 | Very low | 29.2 | Very low | 140 Ų | 140 | 129 Ų | 129 | 75% | 0.749 | 70% | 0.703 | S | S | * | * | cis | -164.6 | 153.1 | -12.9 | -139.3 | 32.1 | 0 | 0 | 0 | 111.4 | ||||
| 1509 | N | 32.7 | Very low | 29 | Very low | 130 Ų | 130 | 130 Ų | 130 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | trans | 60.2 | 130.5 | 161.9 | -53.6 | -56.4 | 0 | 0 | 0 | 121.4 | ||||
| 1510 | D | 28.8 | Very low | 28.8 | Very low | 140 Ų | 140 | 129 Ų | 129 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | trans | -55.8 | 140 | 148.7 | -42.6 | -93.8 | 0 | 0 | 0 | 111 | ||||
| 1511 | N | 29.3 | Very low | 28.4 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | -176.1 | 151.4 | 100.9 | -101.3 | -63.7 | 0 | 0 | 0 | 114.9 | |||||
| 1512 | E | 26.5 | Very low | 28.2 | Very low | 146 Ų | 146 | 131.4 Ų | 131.4 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | trans | 58.7 | 124.6 | 148.3 | -66.6 | -160 | 117.7 | 0 | 0 | 122.3 | ||||
| 1513 | Q | 25.5 | Very low | 28.2 | Very low | 148 Ų | 148 | 135.3 Ų | 135.3 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | trans | 54.5 | 107.7 | 134.6 | -52.1 | -177.3 | 46 | 0 | 0 | 116.4 | ||||
| 1514 | L | 24.5 | Very low | 28.3 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | -164.7 | 156.3 | 73.8 | -94.6 | 164.8 | 0 | 0 | 0 | 113.5 | |||||
| 1515 | L | 26.7 | Very low | 28.2 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | trans | 63.3 | 86.7 | 162.3 | -63.7 | 161.8 | 0 | 0 | 0 | 115.8 | ||||
| 1516 | N | 24.5 | Very low | 28.2 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | 79.8 | 98.1 | 79.4 | -75 | -7.1 | 0 | 0 | 0 | 115.1 | |||||
| 1517 | I | 28.8 | Very low | 28.1 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | 160.8 | 100.9 | 124.3 | -83.2 | 157 | 0 | 0 | 0 | 106.6 | |||||
| 1518 | S | 26.5 | Very low | 28.1 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | 75.6 | 130.8 | 85.3 | -93.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1519 | I | 28.6 | Very low | 28.1 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | cis | -145.1 | 142.7 | 15.1 | -63.7 | -170.6 | 0 | 0 | 0 | 112.5 | ||||
| 1520 | N | 27.8 | Very low | 28.2 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 67% | 0.668 | 74% | 0.739 | S | S | * | * | trans | 5.1 | 135.8 | 145.1 | -58.3 | 5.9 | 0 | 0 | 0 | 119.8 | ||||
| 1521 | Q | 28.6 | Very low | 28.3 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | 61.4 | 120.4 | 73.9 | -57 | 172.3 | -33.4 | 0 | 0 | 115.9 | |||||
| 1522 | D | 28.9 | Very low | 28.4 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | 167.6 | 142.5 | 125.3 | -86.7 | -13.2 | 0 | 0 | 0 | 109.4 | |||||
| 1523 | L | 29.4 | Very low | 28.7 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | cis | 111.5 | 159.2 | 22 | -89.5 | 172.8 | 0 | 0 | 0 | 113.5 | ||||
| 1524 | T | 28.8 | Very low | 29.2 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 80% | 0.798 | 74% | 0.74 | S | S | * | * | trans | 68.3 | 112.1 | -176.8 | 68.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 1525 | L | 28.2 | Very low | 29.7 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | cis | 76.9 | 133.2 | 8.6 | -120.9 | -174.5 | 0 | 0 | 0 | 117 | ||||
| 1526 | R | 28 | Very low | 30.1 | Very low | 209 Ų | 209 | 142.2 Ų | 142.2 | 79% | 0.789 | 74% | 0.738 | S | S | * | * | trans | 81.4 | 125.6 | 170.8 | -53.6 | -165.3 | 174.2 | -159.8 | -5.7 | 116.6 | ||||
| 1527 | S | 28.8 | Very low | 30.6 | Very low | 98 Ų | 98 | 141 Ų | 141 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | cis | 91.9 | 164.8 | 26 | 87 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1528 | L | 29.2 | Very low | 31 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | trans | 82.6 | 140.2 | -168.2 | -56.2 | 156.5 | 0 | 0 | 0 | 111.6 | ||||
| 1529 | I | 30.7 | Very low | 31.5 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 74% | 0.744 | 72% | 0.724 | S | S | * | * | -142 | 123.5 | 66.8 | -99.6 | 169.7 | 0 | 0 | 0 | 114.4 | |||||
| 1530 | Q | 33.6 | Very low | 31.7 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 69% | 0.687 | 72% | 0.721 | S | S | * | * | trans | 53.5 | 130.5 | 134.5 | -56.8 | 167.3 | -37.7 | 0 | 0 | 120.4 | ||||
| 1531 | S | 31.2 | Very low | 32 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | cis | 84.5 | 107.6 | 28.5 | 86 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1532 | R | 31.9 | Very low | 32.1 | Very low | 234 Ų | 234 | 136.2 Ų | 136.2 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | trans | -168.6 | 155.6 | 152.8 | -141.6 | 166.7 | 179.1 | 143.1 | -0.2 | 109.6 | ||||
| 1533 | N | 33.1 | Very low | 32.3 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | cis | 175.9 | 171.1 | -45.2 | -134.8 | 64.8 | 0 | 0 | 0 | 105.8 | ||||
| 1534 | D | 35.3 | Very low | 32.3 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 62% | 0.62 | 73% | 0.727 | S | S | * | * | trans | 74.3 | 138.3 | 159.6 | -44.3 | -31.7 | 0 | 0 | 0 | 118 | ||||
| 1535 | T | 34.2 | Very low | 32.7 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 73% | 0.73 | 72% | 0.724 | S | S | * | * | cis | -171.4 | 175.1 | -29.7 | 19.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1536 | E | 35.4 | Very low | 32.6 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | trans | 77.1 | 154.9 | 159 | -53.6 | -147.7 | -176 | 0 | 0 | 119.4 | ||||
| 1537 | N | 35.9 | Very low | 32.5 | Very low | 113 Ų | 113 | 133 Ų | 133 | 60% | 0.604 | 72% | 0.724 | S | S | * | * | cis | -166.6 | 162 | -25.9 | -103.1 | -26.3 | 0 | 0 | 0 | 112.8 | ||||
| 1538 | N | 36.6 | Very low | 32.4 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 68% | 0.684 | 73% | 0.725 | S | S | * | * | trans | 72.7 | 124.9 | 149.4 | -63 | -13.2 | 0 | 0 | 0 | 125 | ||||
| 1539 | N | 36.6 | Very low | 32.3 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | 66.4 | 154.2 | 126.7 | -61.9 | 38.3 | 0 | 0 | 0 | 121.2 | |||||
| 1540 | D | 34.4 | Very low | 32.3 | Very low | 124 Ų | 124 | 138 Ų | 138 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | cis | -163.7 | 148.1 | -7.8 | -120.5 | -38.1 | 0 | 0 | 0 | 112 | ||||
| 1541 | S | 33.3 | Very low | 31.9 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | trans | 57.1 | 161.4 | 149.4 | 81.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1542 | S | 31.2 | Very low | 31.9 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | cis | -168.2 | 165.5 | -25.8 | 55 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1543 | V | 32.9 | Very low | 31.6 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 76% | 0.758 | 73% | 0.729 | S | S | * | * | trans | 66.5 | 93.5 | 149.6 | 170.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1544 | T | 30.2 | Very low | 31.1 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | 41.3 | 157.2 | 124.1 | 44.3 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 1545 | P | 35.9 | Very low | 30.7 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | trans | -122.4 | -178.3 | -150.3 | 45.2 | -34.2 | 0 | 0 | 0 | 116.4 | ||||
| 1546 | L | 26.5 | Very low | 30.1 | Very low | 150 Ų | 150 | 140.5 Ų | 140.5 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | -169 | 127 | 141.1 | -105.6 | 160.5 | 0 | 0 | 0 | 115.6 | ||||
| 1547 | K | 26 | Very low | 29.8 | Very low | 172 Ų | 172 | 140.5 Ų | 140.5 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | 64.5 | 130.8 | 146.9 | -88.2 | 175.3 | -170.9 | 179.8 | 0 | 124.6 | ||||
| 1548 | H | 26.6 | Very low | 29.3 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | 90.5 | 144.5 | 139.2 | -84.7 | -66.6 | 0 | 0 | 0 | 123.2 | ||||
| 1549 | F | 27.5 | Very low | 28.8 | Very low | 167 Ų | 167 | 142.2 Ų | 142.2 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | trans | 92 | 117.1 | 160.3 | -72.3 | -68.5 | 0 | 0 | 0 | 122.2 | ||||
| 1550 | Q | 29.9 | Very low | 28.4 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | trans | 67.6 | 140.9 | 137.9 | -79 | 155.1 | -13.2 | 0 | 0 | 122.4 | ||||
| 1551 | S | 24.6 | Very low | 28 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -89.1 | 164.3 | 161.5 | 60.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1552 | P | 31.4 | Very low | 27.7 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | -155.8 | 165.8 | 90.1 | 41.2 | -22.5 | 0 | 0 | 0 | 118 | |||||
| 1553 | K | 26.3 | Very low | 27.6 | Very low | 191 Ų | 191 | 141.6 Ų | 141.6 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | 36.8 | 110.2 | 138.5 | -63.3 | 177.6 | 178.7 | 178.8 | 0 | 121.6 | ||||
| 1554 | S | 22.3 | Very low | 27.3 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | 36.4 | 131.5 | 124.7 | 64.6 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1555 | I | 26.5 | Very low | 27.2 | Very low | 166 Ų | 166 | 140 Ų | 140 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | trans | -151.5 | 146.7 | 146.7 | -101.7 | 149.7 | 0 | 0 | 0 | 109.7 | ||||
| 1556 | Y | 22.4 | Very low | 26.9 | Very low | 210 Ų | 210 | 139.3 Ų | 139.3 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | -93.4 | 159.3 | 174 | -100 | -105.4 | 0 | 0 | 0 | 111.2 | ||||
| 1557 | I | 29.1 | Very low | 26.9 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | trans | -164.7 | 156.7 | 146.7 | -103.7 | 148.1 | 0 | 0 | 0 | 110.2 | ||||
| 1558 | N | 24.6 | Very low | 27 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 63% | 0.631 | 76% | 0.756 | S | S | * | * | trans | -118 | 177.5 | -164.2 | -57.2 | -34.1 | 0 | 0 | 0 | 113.9 | ||||
| 1559 | N | 27.5 | Very low | 26.9 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | 77.2 | 153.6 | 154.7 | -60.8 | -15.7 | 0 | 0 | 0 | 118.6 | ||||
| 1560 | A | 27.4 | Very low | 27 | Very low | 79 Ų | 79 | 136.1 Ų | 136.1 | 65% | 0.653 | 76% | 0.756 | S | S | * | * | cis | -173.1 | 161.5 | -24.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1561 | S | 26.3 | Very low | 26.8 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | 68 | 154.2 | 161.6 | 74.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1562 | S | 26.6 | Very low | 26.8 | Very low | 88 Ų | 88 | 136.5 Ų | 136.5 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | cis | -167.8 | 174.1 | -2.3 | 32.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1563 | H | 29.4 | Very low | 26.7 | Very low | 166 Ų | 166 | 140.7 Ų | 140.7 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | 75.9 | 146 | 160 | -68.2 | -65.6 | 0 | 0 | 0 | 120.1 | ||||
| 1564 | T | 27.2 | Very low | 26.6 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | cis | -169.1 | 152.6 | -40.9 | 9.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1565 | S | 26.4 | Very low | 26.8 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | 68.9 | 164.8 | 154.9 | 71.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1566 | P | 31.1 | Very low | 26.9 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | -137.4 | -166 | -56.7 | 41 | -24.5 | 0 | 0 | 0 | 113.9 | |||||
| 1567 | D | 26.3 | Very low | 27.1 | Very low | 147 Ų | 147 | 130.3 Ų | 130.3 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | trans | 72.5 | 145 | 160.4 | -56.8 | -19.3 | 0 | 0 | 0 | 119.2 | ||||
| 1568 | V | 27.4 | Very low | 27 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | cis | -154.4 | 167.1 | -12.2 | 119 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1569 | H | 25.4 | Very low | 27.1 | Very low | 146 Ų | 146 | 127.7 Ų | 127.7 | 68% | 0.676 | 72% | 0.715 | S | S | * | * | trans | -57.4 | 173 | 173.7 | -88.8 | -105.6 | 0 | 0 | 0 | 114 | D1571 | H1569-D1571 IonicContact CE1-OD2 2.65Å; H1569-D1571 IonicContact CG-OD2 2.66Å; H1569-D1571 IonicContact ND1-OD2 2.71Å; H1569-D1571 PolarHBondContact ND1-OD2 3.38Å | ||
| 1570 | I | 28.3 | Very low | 27 | Very low | 154 Ų | 154 | 125 Ų | 125 | 79% | 0.79 | 71% | 0.707 | S | S | * | * | cis | -149.2 | 140.1 | 46.1 | -63.9 | 165.9 | 0 | 0 | 0 | 114.8 | ||||
| 1571 | D | 26.4 | Very low | 27 | Very low | 110 Ų | 110 | 126 Ų | 126 | 59% | 0.588 | 71% | 0.71 | S | S | * | * | trans | -36.6 | 161.9 | 164.5 | -52.1 | -91.2 | 0 | 0 | 0 | 117.4 | H1569 | H1569-D1571 IonicContact CE1-OD2 2.65Å; H1569-D1571 IonicContact CG-OD2 2.66Å; H1569-D1571 IonicContact ND1-OD2 2.71Å; H1569-D1571 PolarHBondContact ND1-OD2 3.38Å | ||
| 1572 | M | 25.7 | Very low | 27 | Very low | 179 Ų | 179 | 127.7 Ų | 127.7 | 88% | 0.882 | 71% | 0.71 | S | S | * | * | -162.5 | 139 | 56.9 | -69 | -176.6 | -173.5 | 0 | 0 | 113.7 | |||||
| 1573 | K | 28.2 | Very low | 27 | Very low | 200 Ų | 200 | 131.5 Ų | 131.5 | 87% | 0.87 | 72% | 0.721 | S | S | * | * | trans | -153.3 | 130.4 | 162.9 | -160.2 | 168.8 | -173.7 | 172.9 | 0 | 110 | S1575 | K1573-S1575 PolarHBondContact O-N 2.73Š| ||
| 1574 | L | 24.3 | Very low | 26.9 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | trans | -80.5 | 77.7 | -177.9 | -82.1 | 163 | 0 | 0 | 0 | 112 | ||||
| 1575 | S | 27.2 | Very low | 26.9 | Very low | 75 Ų | 75 | 134.4 Ų | 134.4 | 52% | 0.524 | 74% | 0.737 | S | S | . | * | trans | -96 | 127.8 | 153.4 | 50.1 | 0 | 0 | 0 | 0 | 109.2 | K1573 D1577 | K1573-S1575 PolarHBondContact O-N 2.73Å; S1575-D1577 VanDerWaalsContact CB-OD2 3.24Å; S1575-D1577 WeakPolarHBondContact CB-OD2 3.39Å; S1575-D1577 PolarHBondContact O-N 2.69Å; S1575-D1577 PolarHBondContact OG-OD2 2.82Å | ||
| 1576 | I | 27 | Very low | 26.9 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 59% | 0.59 | 73% | 0.734 | S | S | * | * | trans | -81.3 | 75.5 | 169.6 | -56.8 | -178.7 | 0 | 0 | 0 | 107.7 | T1578 | I1576-T1578 PolarHBondContact O-N 3.21Å; I1576-T1578 VanDerWaalsContact O-N 3.16Å | ||
| 1577 | D | 27.7 | Very low | 26.9 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 56% | 0.556 | 74% | 0.74 | S | S | * | * | trans | -73.1 | 96.1 | 174.5 | -87.7 | -76.9 | 0 | 0 | 0 | 110.7 | S1575 N1579 | S1575-D1577 VanDerWaalsContact CB-OD2 3.24Å; S1575-D1577 WeakPolarHBondContact CB-OD2 3.39Å; S1575-D1577 PolarHBondContact O-N 2.69Å; S1575-D1577 PolarHBondContact OG-OD2 2.82Å; D1577-N1579 PolarHBondContact O-N 3.2Å; D1577-N1579 PolarHBondContact OD1-ND2 3.41Å | ||
| 1578 | T | 27.4 | Very low | 27 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | trans | -78.1 | 49.7 | 164.9 | 46.8 | 0 | 0 | 0 | 0 | 111.8 | I1576 C1580 | I1576-T1578 PolarHBondContact O-N 3.21Å; I1576-T1578 VanDerWaalsContact O-N 3.16Å; T1578-C1580 PolarHBondContact O-N 3.26Å | ||
| 1579 | N | 26.9 | Very low | 27 | Very low | 118 Ų | 118 | 135 Ų | 135 | 63% | 0.631 | 73% | 0.729 | S | S | * | * | trans | -72.1 | 95.2 | 175.7 | -96.4 | -51.5 | 0 | 0 | 0 | 110.9 | D1577 | D1577-N1579 PolarHBondContact O-N 3.2Å; D1577-N1579 PolarHBondContact OD1-ND2 3.41Å | ||
| 1580 | C | 25.4 | Very low | 27.1 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 68% | 0.682 | 73% | 0.73 | S | S | * | * | trans | -139.8 | 59.4 | 173.2 | -92.2 | 0 | 0 | 0 | 0 | 111.9 | T1578 N1631 | T1578-C1580 PolarHBondContact O-N 3.26Å; C1580-N1631 WeakPolarHBondContact CB-ND2 3.48Å | ||
| 1581 | S | 25.9 | Very low | 27.2 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | trans | -134.3 | 29.9 | 173.8 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1582 | N | 26.1 | Very low | 27.2 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | -140.8 | 76.2 | 173.1 | -90.9 | -48.2 | 0 | 0 | 0 | 111.8 | ||||
| 1583 | I | 28 | Very low | 27.3 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 86% | 0.856 | 73% | 0.734 | S | S | * | * | trans | -178.6 | 109.1 | 144.5 | -92.1 | 148.4 | 0 | 0 | 0 | 106.9 | ||||
| 1584 | C | 26.9 | Very low | 27.2 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 87% | 0.872 | 73% | 0.73 | S | S | * | * | trans | 168.4 | 55.5 | 152.2 | -94.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1585 | K | 26.4 | Very low | 27.3 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 90% | 0.904 | 73% | 0.731 | S | S | * | * | trans | -92.2 | 123.8 | 154.8 | -74 | 178.9 | 178.9 | 173.2 | 0 | 107.2 | ||||
| 1586 | S | 27 | Very low | 27.2 | Very low | 100 Ų | 100 | 145.6 Ų | 145.6 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | trans | 137.6 | 141.1 | 157.2 | -167.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1587 | I | 30.4 | Very low | 27.1 | Very low | 152 Ų | 152 | 146.6 Ų | 146.6 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | trans | 65.4 | 131.3 | 169.5 | -58.6 | 143.5 | 0 | 0 | 0 | 115.6 | ||||
| 1588 | H | 29.4 | Very low | 27.1 | Very low | 164 Ų | 164 | 150.6 Ų | 150.6 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | cis | -163.5 | 151.4 | -36 | -132.2 | -86.9 | 0 | 0 | 0 | 107 | ||||
| 1589 | S | 26.7 | Very low | 26.9 | Very low | 85 Ų | 85 | 151.1 Ų | 151.1 | 59% | 0.594 | 76% | 0.764 | S | S | * | * | trans | 0.1 | 134.6 | 156.4 | 50.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1590 | D | 28.2 | Very low | 27 | Very low | 128 Ų | 128 | 151.3 Ų | 151.3 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | -166.6 | 174.2 | 63.2 | -132.2 | -48.6 | 0 | 0 | 0 | 117.5 | |||||
| 1591 | H | 30.8 | Very low | 27.1 | Very low | 156 Ų | 156 | 152.7 Ų | 152.7 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | 76.5 | 79 | 154.1 | -68.7 | 12.7 | 0 | 0 | 0 | 122.4 | ||||
| 1592 | N | 26.1 | Very low | 27.1 | Very low | 139 Ų | 139 | 155.4 Ų | 155.4 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | 28.4 | 117.4 | 121.1 | -69.8 | -54.5 | 0 | 0 | 0 | 122.1 | |||||
| 1593 | R | 27.6 | Very low | 27.2 | Very low | 237 Ų | 237 | 151.4 Ų | 151.4 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | 169.5 | 118 | 123.1 | -91.7 | 163.9 | -164.6 | -148.4 | 6 | 109.1 | |||||
| 1594 | K | 26.1 | Very low | 27.3 | Very low | 178 Ų | 178 | 152.1 Ų | 152.1 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | cis | 97.3 | 71.2 | 21.6 | -160.9 | -168.5 | 179.9 | 180 | 0 | 115.8 | ||||
| 1595 | W | 25.2 | Very low | 27.4 | Very low | 236 Ų | 236 | 151.3 Ų | 151.3 | 89% | 0.894 | 76% | 0.759 | S | S | * | * | trans | -137.1 | 132.1 | 157.5 | -58.2 | 94.8 | 0 | 0 | 0 | 106.1 | ||||
| 1596 | K | 26.1 | Very low | 27.5 | Very low | 177 Ų | 177 | 148.6 Ų | 148.6 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | cis | 72.8 | 86.8 | 22 | -97.9 | -157.3 | 174.6 | -157.9 | 0 | 116 | ||||
| 1597 | Y | 24.4 | Very low | 27.7 | Very low | 137 Ų | 137 | 149.8 Ų | 149.8 | 54% | 0.537 | 75% | 0.751 | S | S | . | * | 38.7 | 152 | 122.7 | -96 | -81.1 | 0 | 0 | 0 | 122.1 | N955 T957 | N955-Y1597 HydrophobicContact CB-CE2 4.14Å; N955-Y1597 PolarHBondContact O-OH 2.8Å; N955-Y1597 VanDerWaalsContact O-OH 3.07Å; T957-Y1597 WeakPolarHBondContact CG2-OH 3.17Å; T957-Y1597 PolarHBondContact OG1-OH 3.36Å; T957-Y1597 VanDerWaalsContact OG1-OH 3.1Å | |||
| 1598 | Q | 27.4 | Very low | 27.7 | Very low | 187 Ų | 187 | 148.1 Ų | 148.1 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | trans | 90.3 | 144 | 166.6 | -68.1 | 176.7 | -74.9 | 0 | 0 | 117.6 | ||||
| 1599 | S | 23.8 | Very low | 27.8 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 84% | 0.839 | 74% | 0.74 | S | S | * | * | trans | -102 | 128.7 | -171.7 | -43.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1600 | S | 28.7 | Very low | 28.1 | Very low | 122 Ų | 122 | 148.8 Ų | 148.8 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | -166.4 | 131.9 | 142.8 | 42.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1601 | T | 27 | Very low | 28.2 | Very low | 129 Ų | 129 | 148.9 Ų | 148.9 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -40.2 | 134.4 | 169.8 | -26.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1602 | I | 27 | Very low | 28.1 | Very low | 160 Ų | 160 | 147 Ų | 147 | 82% | 0.821 | 75% | 0.747 | S | S | * | * | 171.5 | 153.3 | 114.6 | -87 | 164.1 | 0 | 0 | 0 | 109.9 | |||||
| 1603 | C | 27.5 | Very low | 28.3 | Very low | 68 Ų | 68 | 148.5 Ų | 148.5 | 46% | 0.459 | 75% | 0.746 | S | S | . | * | trans | -116.4 | -176.6 | -169.4 | -61.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1604 | Q | 30.5 | Very low | 28.4 | Very low | 182 Ų | 182 | 145.5 Ų | 145.5 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | trans | 86.6 | 141.9 | 169.4 | -49.3 | -175.3 | -13.1 | 0 | 0 | 114.3 | ||||
| 1605 | T | 28.4 | Very low | 28.5 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 69% | 0.693 | 74% | 0.738 | S | S | * | * | cis | -157 | 173.2 | 8.5 | -14.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1606 | I | 29.9 | Very low | 28.7 | Very low | 150 Ų | 150 | 137.2 Ų | 137.2 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | trans | 74 | 139.2 | 154.6 | -69.1 | 155.1 | 0 | 0 | 0 | 117.1 | ||||
| 1607 | N | 30 | Very low | 28.8 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 67% | 0.674 | 73% | 0.73 | S | S | * | * | cis | -168.2 | 156.5 | -34.1 | -126.8 | 20.8 | 0 | 0 | 0 | 111.1 | ||||
| 1608 | N | 31.3 | Very low | 29 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | trans | 63.1 | 117.3 | 142.8 | -69.7 | 15.5 | 0 | 0 | 0 | 123.9 | ||||
| 1609 | N | 30.7 | Very low | 29.1 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 67% | 0.674 | 74% | 0.744 | S | S | * | * | 107 | 150.3 | 113.6 | -77.8 | 29.2 | 0 | 0 | 0 | 123 | |||||
| 1610 | D | 34.5 | Very low | 29.4 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | trans | 58.8 | 110.4 | 162 | -49 | -23.7 | 0 | 0 | 0 | 117.5 | ||||
| 1611 | V | 29.3 | Very low | 29.3 | Very low | 130 Ų | 130 | 137 Ų | 137 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | cis | 85.6 | 123.6 | 24.1 | -168.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1612 | D | 29.6 | Very low | 29.4 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 63% | 0.626 | 74% | 0.736 | S | S | * | * | trans | 83.5 | 122.8 | 159.6 | -97 | 7.4 | 0 | 0 | 0 | 123.1 | ||||
| 1613 | K | 29.2 | Very low | 29.5 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 74% | 0.735 | 74% | 0.735 | S | S | * | * | trans | 67.6 | 119.1 | 144.7 | -60.1 | 165.5 | 179.3 | 123.5 | 0 | 120 | ||||
| 1614 | I | 30.8 | Very low | 29.5 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 89% | 0.892 | 75% | 0.748 | S | S | * | * | -173.4 | 159.2 | 108.2 | -93.6 | 158.5 | 0 | 0 | 0 | 109.3 | |||||
| 1615 | S | 28.1 | Very low | 29.4 | Very low | 86 Ų | 86 | 138.6 Ų | 138.6 | 60% | 0.601 | 75% | 0.746 | S | S | * | * | trans | -92.6 | 165.4 | -167.6 | 65 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1616 | D | 28.3 | Very low | 29.6 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | trans | 68 | 130.1 | 152.7 | -52.1 | -42.4 | 0 | 0 | 0 | 120.9 | ||||
| 1617 | G | 28.5 | Very low | 29.6 | Very low | 66 Ų | 66 | 138.6 Ų | 138.6 | 68% | 0.68 | 74% | 0.743 | S | S | * | * | trans | 91.2 | 91.8 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1618 | F | 28.9 | Very low | 29.8 | Very low | 218 Ų | 218 | 140.4 Ų | 140.4 | 96% | 0.956 | 75% | 0.752 | S | S | * | * | 171.1 | 132.8 | 113.6 | -95.2 | -71 | 0 | 0 | 0 | 109.8 | |||||
| 1619 | T | 29.3 | Very low | 30.3 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | trans | -102.9 | 163.9 | -176 | 43.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1620 | N | 29.7 | Very low | 30.3 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | trans | 80.5 | 95.8 | 171.6 | -52.1 | -24.9 | 0 | 0 | 0 | 117.4 | ||||
| 1621 | L | 27.6 | Very low | 30.3 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 95% | 0.953 | 71% | 0.714 | S | S | * | * | trans | -153.7 | 163 | 133.8 | -108.3 | 156.7 | 0 | 0 | 0 | 109.5 | ||||
| 1622 | S | 27.6 | Very low | 30.6 | Very low | 78 Ų | 78 | 133.3 Ų | 133.3 | 55% | 0.545 | 69% | 0.692 | S | S | . | * | trans | -77.8 | 158 | -154.5 | -151.3 | 0 | 0 | 0 | 0 | 116.1 | D1624 | S1622-D1624 PolarHBondContact OG-OD2 3.46Š| ||
| 1623 | N | 29.1 | Very low | 31 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 81% | 0.813 | 68% | 0.68 | S | S | * | * | trans | -149.5 | 90.7 | 163.2 | -106.2 | -19.3 | 0 | 0 | 0 | 109.4 | Y1625 | N1623-Y1625 VanDerWaalsContact C-N 3.32Å; N1623-Y1625 PolarHBondContact O-N 2.93Å | ||
| 1624 | D | 27.6 | Very low | 31.1 | Very low | 136 Ų | 136 | 125 Ų | 125 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | trans | -84.8 | 56.9 | -169.8 | -75.4 | -71 | 0 | 0 | 0 | 114.4 | S1622 | S1622-D1624 PolarHBondContact OG-OD2 3.46Š| ||
| 1625 | Y | 29.2 | Very low | 31.5 | Very low | 208 Ų | 208 | 118.6 Ų | 118.6 | 82% | 0.816 | 64% | 0.639 | S | S | * | * | trans | -133.8 | 85.3 | 174 | -71.5 | -80.1 | 0 | 0 | 0 | 111.6 | N1623 | N1623-Y1625 VanDerWaalsContact C-N 3.32Å; N1623-Y1625 PolarHBondContact O-N 2.93Å | ||
| 1626 | N | 32.7 | Very low | 32 | Very low | 112 Ų | 112 | 115.5 Ų | 115.5 | 60% | 0.599 | 62% | 0.617 | S | S | * | * | trans | -161.4 | 19.1 | 177.9 | -115.9 | -80.9 | 0 | 0 | 0 | 115.5 | L1628 | N1626-L1628 PolarHBondContact O-N 3.16Š| ||
| 1627 | L | 29.9 | Very low | 32.4 | Very low | 151 Ų | 151 | 113 Ų | 113 | 79% | 0.791 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -72.8 | -26.3 | -162.8 | -109.2 | 156.9 | 0 | 0 | 0 | 115.8 | Y1629 | L1627-Y1629 PolarHBondContact O-N 2.77Å |
| 1628 | L | 34.6 | Very low | 33.1 | Very low | 164 Ų | 164 | 115.4 Ų | 115.4 | 86% | 0.859 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -72.1 | -24.7 | -176.9 | -79.7 | 166.2 | 0 | 0 | 0 | 114.7 | N1626 | N1626-L1628 PolarHBondContact O-N 3.16Å |
| 1629 | Y | 41.6 | Very low | 33.8 | Very low | 54 Ų | 54 | 106.5 Ų | 106.5 | 21% | 0.212 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -104.6 | -6.9 | -171.2 | -76.2 | -72.3 | 0 | 0 | 0 | 115.8 | Y686 I689 L812 L1627 | Y686-Y1629 PolarHBondContact OH-O 2.9Å; I689-Y1629 HydrophobicContact CG2-CE1 3.98Å; I689-Y1629 HydrophobicContact CG2-CE2 4.48Å; L812-Y1629 WeakPolarHBondContact CD1-OH 3.28Å; L1627-Y1629 PolarHBondContact O-N 2.77Å |
| 1630 | K | 31 | Very low | 34.3 | Very low | 139 Ų | 139 | 104.1 Ų | 104.1 | 60% | 0.604 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -76.1 | -39.9 | -179.4 | -82.4 | -177.9 | 173.1 | 176.4 | 0 | 113.2 | R1632 S1633 | K1630-R1632 VanDerWaalsContact C-N 3.34Å; K1630-R1632 PolarHBondContact O-N 2.99Å; K1630-S1633 WeakPolarHBondContact O-CB 3.46Å; K1630-S1633 PolarHBondContact O-N 2.98Å; K1630-S1633 PolarHBondContact O-OG 2.64Å |
| 1631 | N | 33 | Very low | 34.7 | Very low | 81 Ų | 81 | 100.5 Ų | 100.5 | 43% | 0.433 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -23.1 | -168.4 | -69.3 | 1.7 | 0 | 0 | 0 | 115 | C1580 S1633 | C1580-N1631 WeakPolarHBondContact CB-ND2 3.48Å; N1631-S1633 VanDerWaalsContact C-N 3.32Å; N1631-S1633 PolarHBondContact O-N 2.67Å |
| 1632 | R | 36.7 | Very low | 35.3 | Very low | 86 Ų | 86 | 97.8 Ų | 97.8 | 33% | 0.325 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -16.9 | 173 | -71.4 | -168.5 | -172.5 | 151.8 | 14 | 113.9 | D808 K1630 A1634 S1635 | D808-R1632 IonicContact OD1-NH2 3.39Å; D808-R1632 IonicContact OD2-CZ 3.3Å; D808-R1632 IonicContact OD2-NH1 2.64Å; D808-R1632 PolarHBondContact OD2-NH1 2.84Å; D808-R1632 IonicContact OD2-NH2 2.96Å; D808-R1632 PolarHBondContact OD2-NH2 3.39Å; K1630-R1632 VanDerWaalsContact C-N 3.34Å; K1630-R1632 PolarHBondContact O-N 2.99Å; R1632-A1634 VanDerWaalsContact C-N 3.27Å; R1632-A1634 PolarHBondContact O-N 2.73Å; R1632-S1635 PolarHBondContact O-N 3.43Å; R1632-S1635 PolarHBondContact O-OG 2.88Å |
| 1633 | S | 37.2 | Very low | 36 | Very low | 53 Ų | 53 | 95 Ų | 95 | 37% | 0.371 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71 | -18.4 | -176 | 66.6 | 0 | 0 | 0 | 0 | 114.5 | K1630 N1631 T1636 | K1630-S1633 WeakPolarHBondContact O-CB 3.46Å; K1630-S1633 PolarHBondContact O-N 2.98Å; K1630-S1633 PolarHBondContact O-OG 2.64Å; N1631-S1633 VanDerWaalsContact C-N 3.32Å; N1631-S1633 PolarHBondContact O-N 2.67Å; S1633-T1636 PolarHBondContact O-OG1 2.7Å; S1633-T1636 VanDerWaalsContact O-OG1 3.08Å |
| 1634 | A | 31.8 | Very low | 36.5 | Very low | 59 Ų | 59 | 95.7 Ų | 95.7 | 49% | 0.488 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.1 | -48.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1632 T1636 N1637 E1638 | R1632-A1634 VanDerWaalsContact C-N 3.27Å; R1632-A1634 PolarHBondContact O-N 2.73Å; A1634-T1636 VanDerWaalsContact C-N 3.33Å; A1634-T1636 PolarHBondContact O-N 3.34Å; A1634-N1637 PolarHBondContact O-N 3.13Å; A1634-N1637 VanDerWaalsContact O-N 3.15Å; A1634-E1638 PolarHBondContact O-N 3.19Å |
| 1635 | S | 39.6 | Very low | 37.1 | Very low | 40 Ų | 40 | 94.3 Ų | 94.3 | 28% | 0.28 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.1 | -31.9 | -175.3 | 55.9 | 0 | 0 | 0 | 0 | 113.3 | R1632 N1637 R1639 | R1632-S1635 PolarHBondContact O-N 3.43Å; R1632-S1635 PolarHBondContact O-OG 2.88Å; S1635-N1637 VanDerWaalsContact C-N 3.33Å; S1635-R1639 VanDerWaalsContact O-CB 3.25Å; S1635-R1639 WeakPolarHBondContact O-CB 3.45Å; S1635-R1639 WeakPolarHBondContact O-CD 3.45Å; S1635-R1639 WeakPolarHBondContact O-CG 3.42Å; S1635-R1639 PolarHBondContact O-N 3.09Å |
| 1636 | T | 37.2 | Very low | 37.6 | Very low | 21 Ų | 21 | 87.2 Ų | 87.2 | 13% | 0.129 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.4 | -38.1 | 175.2 | 48.9 | 0 | 0 | 0 | 0 | 111.9 | S1633 A1634 Q1640 | S1633-T1636 PolarHBondContact O-OG1 2.7Å; S1633-T1636 VanDerWaalsContact O-OG1 3.08Å; A1634-T1636 VanDerWaalsContact C-N 3.33Å; A1634-T1636 PolarHBondContact O-N 3.34Å; T1636-Q1640 WeakPolarHBondContact O-CG 3.45Å; T1636-Q1640 PolarHBondContact O-N 3.11Å |
| 1637 | N | 37.3 | Very low | 37.7 | Very low | 100 Ų | 100 | 83.8 Ų | 83.8 | 54% | 0.535 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -72.5 | -41.9 | 177.7 | -68.8 | -10.4 | 0 | 0 | 0 | 111.4 | A1634 S1635 Q1640 C1641 | A1634-N1637 PolarHBondContact O-N 3.13Å; A1634-N1637 VanDerWaalsContact O-N 3.15Å; S1635-N1637 VanDerWaalsContact C-N 3.33Å; N1637-Q1640 PolarHBondContact O-N 3.3Å; N1637-C1641 PolarHBondContact O-N 2.9Å; N1637-C1641 PolarHBondContact O-SG 2.77Å |
| 1638 | E | 43.3 | Very low | 37.9 | Very low | 118 Ų | 118 | 80 Ų | 80 | 55% | 0.551 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.2 | -44.6 | 173.3 | -77.2 | -166.4 | 100.9 | 0 | 0 | 112.6 | A1634 Q1640 C1641 R1642 | A1634-E1638 PolarHBondContact O-N 3.19Å; E1638-Q1640 VanDerWaalsContact C-N 3.34Å; E1638-Q1640 PolarHBondContact O-N 3.35Å; E1638-C1641 PolarHBondContact O-N 3.36Å; E1638-C1641 VanDerWaalsContact O-N 3.13Å; E1638-R1642 PolarHBondContact O-N 3.35Å |
| 1639 | R | 44.1 | Very low | 37.9 | Very low | 30 Ų | 30 | 76.2 Ų | 76.2 | 11% | 0.113 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -57.6 | -46.4 | 175.6 | -76.9 | 168.1 | 172.3 | 171 | -0.4 | 111 | E682 E797 T801 S1635 C1641 R1642 L1643 | E682-R1639 IonicContact OE1-NH1 2.72Å; E797-R1639 IonicContact OE2-CZ 2.77Å; E797-R1639 IonicContact OE2-NE 3.4Å; E797-R1639 PolarHBondContact OE2-NE 2.9Å; E797-R1639 IonicContact OE2-NH2 2.86Å; E797-R1639 PolarHBondContact OE2-NH2 3.13Å; T801-R1639 PolarHBondContact OG1-NH1 3.31Å; S1635-R1639 VanDerWaalsContact O-CB 3.25Å; S1635-R1639 WeakPolarHBondContact O-CB 3.45Å; S1635-R1639 WeakPolarHBondContact O-CD 3.45Å; S1635-R1639 WeakPolarHBondContact O-CG 3.42Å; S1635-R1639 PolarHBondContact O-N 3.09Å; R1639-C1641 PolarHBondContact O-N 2.8Å; R1639-R1642 PolarHBondContact O-N 2.96Å; R1639-L1643 WeakPolarHBondContact O-CG 3.23Å; R1639-L1643 PolarHBondContact O-N 2.92Å; R1639-L1643 VanDerWaalsContact O-N 3.16Å |
| 1640 | Q | 40.4 | Very low | 37.6 | Very low | 73 Ų | 73 | 77.5 Ų | 77.5 | 34% | 0.341 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 174.6 | -74.6 | -173.1 | -4.5 | 0 | 0 | 112.9 | T1636 N1637 E1638 L1643 F1644 | T1636-Q1640 WeakPolarHBondContact O-CG 3.45Å; T1636-Q1640 PolarHBondContact O-N 3.11Å; N1637-Q1640 PolarHBondContact O-N 3.3Å; E1638-Q1640 VanDerWaalsContact C-N 3.34Å; E1638-Q1640 PolarHBondContact O-N 3.35Å; Q1640-L1643 PolarHBondContact O-N 2.89Å; Q1640-F1644 PolarHBondContact O-N 3.41Å |
| 1641 | C | 36.9 | Very low | 37.5 | Very low | 74 Ų | 74 | 76.2 Ų | 76.2 | 50% | 0.5 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 176.2 | -67.4 | 0 | 0 | 0 | 0 | 112.3 | N1637 E1638 R1639 L1643 F1644 I1645 | N1637-C1641 PolarHBondContact O-N 2.9Å; N1637-C1641 PolarHBondContact O-SG 2.77Å; E1638-C1641 PolarHBondContact O-N 3.36Å; E1638-C1641 VanDerWaalsContact O-N 3.13Å; R1639-C1641 PolarHBondContact O-N 2.8Å; C1641-L1643 VanDerWaalsContact C-N 3.35Å; C1641-L1643 PolarHBondContact O-N 2.83Å; C1641-F1644 PolarHBondContact O-N 3.4Å; C1641-F1644 VanDerWaalsContact O-N 3.12Å; C1641-I1645 VanDerWaalsContact O-CG1 3.31Å; C1641-I1645 WeakPolarHBondContact O-CG1 3.44Å; C1641-I1645 PolarHBondContact O-N 2.94Å |
| 1642 | R | 40.8 | Very low | 37.3 | Very low | 124 Ų | 124 | 75.2 Ų | 75.2 | 47% | 0.468 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -57.5 | -46.5 | 175.5 | -70.4 | -176.3 | -174.5 | -173.9 | 2.9 | 111.5 | E1638 R1639 F1644 I1645 D1646 | E1638-R1642 PolarHBondContact O-N 3.35Å; R1639-R1642 PolarHBondContact O-N 2.96Å; R1642-F1644 PolarHBondContact O-N 3.19Å; R1642-I1645 PolarHBondContact O-N 3.49Å; R1642-I1645 VanDerWaalsContact O-N 3.16Å; R1642-D1646 PolarHBondContact O-N 3.06Å |
| 1643 | L | 41.9 | Very low | 36.9 | Very low | 21 Ų | 21 | 79.1 Ų | 79.1 | 11% | 0.11 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -55.8 | -33 | 176.5 | -70.8 | 167.4 | 0 | 0 | 0 | 113.4 | M672 I675 Q794 R1639 Q1640 C1641 A1647 | M672-L1643 HydrophobicContact CE-CB 4.18Å; M672-L1643 HydrophobicContact CE-CD2 3.64Å; M672-L1643 VanDerWaalsContact CE-O 3.23Å; M672-L1643 WeakPolarHBondContact CE-O 3.46Å; M672-L1643 HydrophobicContact SD-CD2 3.55Å; M672-L1643 VanDerWaalsContact SD-CD2 3.55Å; I675-L1643 HydrophobicContact CG2-CD2 4.3Å; Q794-L1643 VanDerWaalsContact OE1-CD2 3.31Å; R1639-L1643 WeakPolarHBondContact O-CG 3.23Å; R1639-L1643 PolarHBondContact O-N 2.92Å; R1639-L1643 VanDerWaalsContact O-N 3.16Å; Q1640-L1643 PolarHBondContact O-N 2.89Å; C1641-L1643 VanDerWaalsContact C-N 3.35Å; C1641-L1643 PolarHBondContact O-N 2.83Å; L1643-A1647 WeakPolarHBondContact O-CB 3.19Å |
| 1644 | F | 38.6 | Very low | 36.5 | Very low | 165 Ų | 165 | 83.9 Ų | 83.9 | 72% | 0.724 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -82.1 | -39.6 | 175.6 | -94 | -85.8 | 0 | 0 | 0 | 113.5 | Q1640 C1641 R1642 S1648 | Q1640-F1644 PolarHBondContact O-N 3.41Å; C1641-F1644 PolarHBondContact O-N 3.4Å; C1641-F1644 VanDerWaalsContact O-N 3.12Å; R1642-F1644 PolarHBondContact O-N 3.19Å; F1644-S1648 PolarHBondContact O-N 3.48Å |
| 1645 | I | 40.8 | Very low | 36.3 | Very low | 107 Ų | 107 | 88.7 Ų | 88.7 | 55% | 0.549 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -50.8 | -178.4 | -69.9 | 164.2 | 0 | 0 | 0 | 110.2 | C1641 R1642 A1647 S1648 | C1641-I1645 VanDerWaalsContact O-CG1 3.31Å; C1641-I1645 WeakPolarHBondContact O-CG1 3.44Å; C1641-I1645 PolarHBondContact O-N 2.94Å; R1642-I1645 PolarHBondContact O-N 3.49Å; R1642-I1645 VanDerWaalsContact O-N 3.16Å; I1645-A1647 VanDerWaalsContact C-N 3.32Å; I1645-A1647 PolarHBondContact O-N 2.92Å; I1645-S1648 WeakPolarHBondContact O-CB 3.5Å; I1645-S1648 PolarHBondContact O-N 3.48Å; I1645-S1648 VanDerWaalsContact O-N 3.15Å; I1645-S1648 PolarHBondContact O-OG 3.08Å |
| 1646 | D | 39.8 | Very low | 35.8 | Very low | 59 Ų | 59 | 94.3 Ų | 94.3 | 32% | 0.316 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71 | -28.4 | -176.5 | -61 | -43.4 | 0 | 0 | 0 | 112.6 | Q790 R1642 S1648 A1649 | Q790-D1646 PolarHBondContact NE2-OD2 3.26Å; R1642-D1646 PolarHBondContact O-N 3.06Å; D1646-S1648 VanDerWaalsContact C-N 3.31Å; D1646-S1648 PolarHBondContact O-N 3.2Å; D1646-A1649 PolarHBondContact O-N 3.09Å |
| 1647 | A | 35 | Very low | 35.3 | Very low | 41 Ų | 41 | 103.8 Ų | 103.8 | 34% | 0.339 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66 | -32.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M672 L1643 I1645 A1649 C1650 T1651 | M672-A1647 HydrophobicContact CE-CB 4.43Å; L1643-A1647 WeakPolarHBondContact O-CB 3.19Å; I1645-A1647 VanDerWaalsContact C-N 3.32Å; I1645-A1647 PolarHBondContact O-N 2.92Å; A1647-A1649 VanDerWaalsContact C-N 3.33Å; A1647-A1649 PolarHBondContact O-N 3.25Å; A1647-C1650 PolarHBondContact O-N 3.45Å; A1647-T1651 PolarHBondContact O-N 3.25Å; A1647-T1651 PolarHBondContact O-OG1 3.27Å |
| 1648 | S | 33.3 | Very low | 35 | Very low | 71 Ų | 71 | 106.5 Ų | 106.5 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.6 | -35.4 | 178.9 | 77.4 | 0 | 0 | 0 | 0 | 112.5 | F1644 I1645 D1646 C1650 T1651 | F1644-S1648 PolarHBondContact O-N 3.48Å; I1645-S1648 WeakPolarHBondContact O-CB 3.5Å; I1645-S1648 PolarHBondContact O-N 3.48Å; I1645-S1648 VanDerWaalsContact O-N 3.15Å; I1645-S1648 PolarHBondContact O-OG 3.08Å; D1646-S1648 VanDerWaalsContact C-N 3.31Å; D1646-S1648 PolarHBondContact O-N 3.2Å; S1648-C1650 PolarHBondContact O-N 3Å; S1648-C1650 VanDerWaalsContact O-N 3.17Å; S1648-T1651 PolarHBondContact O-N 3.02Å |
| 1649 | A | 35.3 | Very low | 34.2 | Very low | 84 Ų | 84 | 109.2 Ų | 109.2 | 69% | 0.694 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -20.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1646 A1647 | D1646-A1649 PolarHBondContact O-N 3.09Å; A1647-A1649 VanDerWaalsContact C-N 3.33Å; A1647-A1649 PolarHBondContact O-N 3.25Å |
| 1650 | C | 34.6 | Very low | 33.8 | Very low | 82 Ų | 82 | 112.9 Ų | 112.9 | 55% | 0.554 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | 4 | 175.6 | -74 | 0 | 0 | 0 | 0 | 113.9 | A1647 S1648 | A1647-C1650 PolarHBondContact O-N 3.45Å; S1648-C1650 PolarHBondContact O-N 3Å; S1648-C1650 VanDerWaalsContact O-N 3.17Å |
| 1651 | T | 30.6 | Very low | 33.1 | Very low | 111 Ų | 111 | 113.4 Ų | 113.4 | 68% | 0.681 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -133.3 | 26.7 | -174.7 | 50.9 | 0 | 0 | 0 | 0 | 113.9 | A1647 S1648 | A1647-T1651 PolarHBondContact O-N 3.25Å; A1647-T1651 PolarHBondContact O-OG1 3.27Å; S1648-T1651 PolarHBondContact O-N 3.02Å |
| 1652 | G | 27.9 | Very low | 32.7 | Very low | 61 Ų | 61 | 116.8 Ų | 116.8 | 63% | 0.629 | 64% | 0.642 | S | S | * | * | trans | -114.7 | 76.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1653 | N | 28.9 | Very low | 32 | Very low | 168 Ų | 168 | 115.2 Ų | 115.2 | 90% | 0.898 | 65% | 0.65 | S | S | * | * | trans | -167.6 | 88.1 | 146.9 | -111.7 | -11.9 | 0 | 0 | 0 | 111.5 | ||||
| 1654 | N | 27.4 | Very low | 31.4 | Very low | 153 Ų | 153 | 122 Ų | 122 | 82% | 0.818 | 68% | 0.679 | S | S | * | * | trans | -91.2 | 112.7 | 164.6 | -77.8 | -25 | 0 | 0 | 0 | 108.8 | ||||
| 1655 | N | 28.3 | Very low | 30.9 | Very low | 160 Ų | 160 | 124 Ų | 124 | 86% | 0.856 | 68% | 0.683 | S | S | * | * | trans | -172.9 | 165 | 149.5 | -100.1 | -29.1 | 0 | 0 | 0 | 110.9 | ||||
| 1656 | I | 28.5 | Very low | 30.3 | Very low | 158 Ų | 158 | 124 Ų | 124 | 81% | 0.81 | 69% | 0.693 | S | S | * | * | trans | 67.3 | 79.1 | -178 | -45 | 178.6 | 0 | 0 | 0 | 113 | ||||
| 1657 | Y | 28.6 | Very low | 29.6 | Very low | 220 Ų | 220 | 128 Ų | 128 | 86% | 0.863 | 71% | 0.713 | S | S | * | * | trans | -61.5 | 136.3 | 132.5 | -86.6 | -108.8 | 0 | 0 | 0 | 108 | ||||
| 1658 | D | 29.6 | Very low | 29.2 | Very low | 157 Ų | 157 | 131.2 Ų | 131.2 | 84% | 0.84 | 73% | 0.732 | S | S | * | * | trans | -175.5 | 128.8 | 130.7 | -94.7 | -18.4 | 0 | 0 | 0 | 111.3 | ||||
| 1659 | E | 27.5 | Very low | 28.9 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -76.8 | 160 | 152.9 | -110.4 | -161.2 | 133 | 0 | 0 | 107.9 | ||||
| 1660 | P | 34.3 | Very low | 28.4 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 69% | 0.688 | 74% | 0.743 | S | S | * | * | -158.8 | 163.6 | 50.6 | 43.2 | -21.4 | 0 | 0 | 0 | 119.9 | |||||
| 1661 | S | 26.8 | Very low | 28.1 | Very low | 85 Ų | 85 | 138.9 Ų | 138.9 | 59% | 0.594 | 75% | 0.754 | S | S | * | * | trans | 74.2 | 151.9 | 132.5 | 76.2 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1662 | I | 28.1 | Very low | 27.8 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | trans | 70.3 | 79.2 | 141.9 | -67.9 | 158.1 | 0 | 0 | 0 | 119.7 | ||||
| 1663 | S | 27.4 | Very low | 27.8 | Very low | 90 Ų | 90 | 146.8 Ų | 146.8 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | 42 | 143.2 | 111.8 | 85.9 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 1664 | K | 27.6 | Very low | 27.6 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | trans | 91.7 | 151.1 | 151 | -61.4 | 175.8 | -177.7 | 173.2 | 0 | 119.1 | ||||
| 1665 | Y | 28.7 | Very low | 27.8 | Very low | 205 Ų | 205 | 142.9 Ų | 142.9 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | 62 | 120.1 | 175.3 | -54.1 | -71.4 | 0 | 0 | 0 | 114.9 | ||||
| 1666 | S | 27.5 | Very low | 27.9 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | cis | 80.6 | 135.1 | 48.6 | -167.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1667 | L | 25 | Very low | 27.9 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | trans | -53.7 | 132.9 | 172.8 | -61.6 | 151.6 | 0 | 0 | 0 | 110.4 | ||||
| 1668 | C | 26.5 | Very low | 28 | Very low | 109 Ų | 109 | 137 Ų | 137 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | 179.9 | 159.5 | 100 | -91.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1669 | N | 27.9 | Very low | 28 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 65% | 0.652 | 73% | 0.731 | S | S | * | * | trans | 54.1 | 106.6 | 154.7 | -70.1 | 50.4 | 0 | 0 | 0 | 121.9 | ||||
| 1670 | E | 25.2 | Very low | 28.2 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 76% | 0.757 | 72% | 0.723 | S | S | * | * | 68.2 | 156.6 | 111.4 | -68.7 | -179.9 | 140.8 | 0 | 0 | 122 | |||||
| 1671 | S | 28.4 | Very low | 28 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | 70.8 | 151.6 | 167.3 | 77.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1672 | F | 24.7 | Very low | 28.1 | Very low | 187 Ų | 187 | 134.6 Ų | 134.6 | 82% | 0.82 | 74% | 0.738 | S | S | * | * | cis | -172.6 | 159.8 | -42.3 | -129.7 | -77.2 | 0 | 0 | 0 | 104.6 | ||||
| 1673 | L | 27.6 | Very low | 28.1 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | trans | 68.4 | 120.1 | 174.5 | -48.5 | 164 | 0 | 0 | 0 | 114.2 | ||||
| 1674 | S | 25.1 | Very low | 28.1 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | cis | 83.6 | 84.6 | 33.8 | 89 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1675 | T | 30.5 | Very low | 28 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | trans | -151.5 | 146.8 | 151 | 44.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1676 | S | 29.8 | Very low | 28 | Very low | 84 Ų | 84 | 140.3 Ų | 140.3 | 59% | 0.587 | 76% | 0.755 | S | S | * | * | cis | -171.6 | 145 | -22.6 | 59.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1677 | K | 29.6 | Very low | 28.3 | Very low | 182 Ų | 182 | 139.3 Ų | 139.3 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | 68.6 | 155.8 | 162.5 | -60.6 | 154.4 | -175.9 | 173.1 | 0 | 114.8 | ||||
| 1678 | L | 30.9 | Very low | 28.7 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | cis | -124.5 | 130.2 | 8.1 | -148.3 | 64.6 | 0 | 0 | 0 | 107 | ||||
| 1679 | E | 29.1 | Very low | 29 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 59% | 0.589 | 75% | 0.747 | S | S | * | * | 47 | 134.5 | 74.4 | -62.1 | -151.3 | 152.7 | 0 | 0 | 114.2 | |||||
| 1680 | K | 30.8 | Very low | 29.1 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | cis | -166.1 | 150.4 | 1.7 | -119.6 | 168.5 | -172.8 | 145.4 | 0 | 109.9 | ||||
| 1681 | S | 30.7 | Very low | 29.3 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | trans | 58.4 | 158.9 | 163.2 | 55 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1682 | G | 29.8 | Very low | 29.4 | Very low | 69 Ų | 69 | 138.2 Ų | 138.2 | 71% | 0.711 | 74% | 0.74 | S | S | * | * | cis | 139.7 | 131 | -9.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1683 | M | 26.9 | Very low | 29.7 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 84% | 0.837 | 73% | 0.732 | S | S | * | * | trans | 68.8 | 132.3 | 168.3 | -83.5 | -79.2 | 108.7 | 0 | 0 | 119.4 | ||||
| 1684 | R | 27.5 | Very low | 29.8 | Very low | 211 Ų | 211 | 136.5 Ų | 136.5 | 80% | 0.796 | 72% | 0.724 | S | S | * | * | trans | 73.2 | 104.9 | 152.3 | -62.9 | 171.3 | -171.7 | -174.9 | 3.4 | 120.6 | ||||
| 1685 | K | 26.3 | Very low | 30.2 | Very low | 189 Ų | 189 | 136.4 Ų | 136.4 | 82% | 0.822 | 71% | 0.712 | S | S | * | * | 74.7 | 151.3 | 119.1 | -75.4 | -167.9 | 172.8 | -170.4 | 0 | 120.9 | |||||
| 1686 | L | 27.3 | Very low | 30.2 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 81% | 0.812 | 70% | 0.7 | S | S | * | * | trans | 81.2 | 92 | 156.2 | -71.7 | 156.3 | 0 | 0 | 0 | 118.3 | ||||
| 1687 | S | 34.4 | Very low | 30.3 | Very low | 88 Ų | 88 | 138 Ų | 138 | 62% | 0.615 | 70% | 0.701 | S | S | * | * | trans | -61.3 | 157.6 | 146.9 | 137.6 | 0 | 0 | 0 | 0 | 112 | H1689 | S1687-H1689 PolarHBondContact OG-N 3.04Š| ||
| 1688 | P | 33.9 | Very low | 30.4 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | trans | -93.7 | 137.8 | 133.6 | -15.2 | 32.7 | 0 | 0 | 0 | 110 | ||||
| 1689 | H | 32.2 | Very low | 30.3 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | 70.8 | 143.1 | 62.4 | -69.4 | -62.5 | 0 | 0 | 0 | 112.2 | S1687 | S1687-H1689 PolarHBondContact OG-N 3.04Š| |||
| 1690 | T | 30.6 | Very low | 30.2 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 64% | 0.638 | 70% | 0.7 | S | S | * | * | cis | -165.2 | 151 | 5.8 | 4.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1691 | T | 29.9 | Very low | 30.1 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 64% | 0.644 | 71% | 0.706 | S | S | * | * | cis | -143.6 | -122.4 | -4.3 | -28.2 | 0 | 0 | 0 | 0 | 110.2 | Y1693 | T1691-Y1693 HydrophobicContact CG2-CD2 4.12Å; T1691-Y1693 HydrophobicContact CG2-CE2 3.9Å | ||
| 1692 | I | 29.7 | Very low | 30 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 76% | 0.759 | 70% | 0.701 | S | S | * | * | cis | -147.8 | 132.1 | -6.5 | -142.2 | 159.4 | 0 | 0 | 0 | 112.3 | ||||
| 1693 | Y | 30.9 | Very low | 29.9 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 66% | 0.659 | 70% | 0.703 | S | S | * | * | trans | 21.3 | 128.5 | 149.7 | -67.5 | -102 | 0 | 0 | 0 | 121.8 | T1691 | T1691-Y1693 HydrophobicContact CG2-CD2 4.12Å; T1691-Y1693 HydrophobicContact CG2-CE2 3.9Å | ||
| 1694 | Q | 30.2 | Very low | 29.9 | Very low | 135 Ų | 135 | 144.2 Ų | 144.2 | 63% | 0.631 | 71% | 0.706 | S | S | * | * | 81 | 151 | 54.4 | -70.5 | 176.2 | 18.5 | 0 | 0 | 113.6 | |||||
| 1695 | H | 32.3 | Very low | 29.9 | Very low | 95 Ų | 95 | 137.3 Ų | 137.3 | 44% | 0.44 | 70% | 0.701 | S | S | . | * | cis | -166.2 | 161.9 | 4.7 | -129.8 | -58.6 | 0 | 0 | 0 | 113.1 | K1462 | K1462-H1695 PolarHBondContact NZ-CE1 3.33Š| ||
| 1696 | H | 32 | Very low | 29.9 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 60% | 0.602 | 70% | 0.7 | S | S | * | * | trans | 66.9 | 165.2 | 144.9 | -74.1 | -45.2 | 0 | 0 | 0 | 119.6 | ||||
| 1697 | H | 32 | Very low | 29.8 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 60% | 0.602 | 70% | 0.697 | S | S | * | * | cis | -167.5 | 147.6 | -23.9 | -117.4 | -25.1 | 0 | 0 | 0 | 111 | ||||
| 1698 | K | 31 | Very low | 29.4 | Very low | 165 Ų | 165 | 138.4 Ų | 138.4 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | trans | 60.7 | 167.7 | 143.3 | -66.4 | 179.4 | 179.2 | 179.7 | 0 | 119.4 | ||||
| 1699 | T | 28.4 | Very low | 29 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 64% | 0.638 | 70% | 0.695 | S | S | * | * | cis | -166.1 | 141.2 | -37.2 | 33.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1700 | N | 27.6 | Very low | 28.7 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 80% | 0.802 | 70% | 0.695 | S | S | * | * | trans | 65.6 | 165.8 | 153.1 | -57.9 | -6.9 | 0 | 0 | 0 | 120.2 | ||||
| 1701 | I | 28.2 | Very low | 28.4 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 76% | 0.764 | 69% | 0.694 | S | S | * | * | trans | 118.5 | 105.3 | 148.3 | -64.7 | 179 | 0 | 0 | 0 | 117.1 | ||||
| 1702 | I | 29.7 | Very low | 28.3 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 77% | 0.774 | 70% | 0.703 | S | S | * | * | trans | 56.3 | 120.2 | 140.6 | -60.2 | 176.6 | 0 | 0 | 0 | 118.1 | ||||
| 1703 | N | 26.1 | Very low | 28 | Very low | 143 Ų | 143 | 141.8 Ų | 141.8 | 77% | 0.765 | 70% | 0.699 | S | S | * | * | cis | 89 | 140 | 33.6 | -162.3 | 3.5 | 0 | 0 | 0 | 115 | ||||
| 1704 | R | 27.2 | Very low | 27.7 | Very low | 239 Ų | 239 | 138.7 Ų | 138.7 | 90% | 0.902 | 70% | 0.697 | S | S | * | * | trans | 75.7 | 149.1 | -175.1 | -57.3 | -178.9 | 168.1 | -165.1 | -4.4 | 117 | ||||
| 1705 | G | 28.6 | Very low | 27.4 | Very low | 67 Ų | 67 | 140.3 Ų | 140.3 | 69% | 0.691 | 70% | 0.698 | S | S | * | * | trans | -167.2 | -62.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1706 | N | 25.5 | Very low | 26.9 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | trans | 64.7 | 164.6 | -177.3 | -69.7 | 13.7 | 0 | 0 | 0 | 117.3 | ||||
| 1707 | F | 26.4 | Very low | 26.6 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | trans | 68.2 | 137.8 | 174.2 | -63.3 | -85.9 | 0 | 0 | 0 | 117.6 | ||||
| 1708 | E | 24.6 | Very low | 26.3 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 63% | 0.626 | 74% | 0.736 | S | S | * | * | cis | -169.6 | -177.4 | -29.8 | -133.4 | 178.4 | -148 | 0 | 0 | 108.6 | ||||
| 1709 | Q | 26 | Very low | 26 | Very low | 142 Ų | 142 | 146.6 Ų | 146.6 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | trans | 43.3 | 91.6 | 151.8 | -63.5 | 175.2 | 43.9 | 0 | 0 | 118.1 | ||||
| 1710 | N | 26.6 | Very low | 25.9 | Very low | 136 Ų | 136 | 145.5 Ų | 145.5 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | 178.9 | 118.6 | 98.6 | -81.6 | -38.7 | 0 | 0 | 0 | 109.9 | |||||
| 1711 | T | 24.4 | Very low | 25.8 | Very low | 99 Ų | 99 | 148.6 Ų | 148.6 | 61% | 0.607 | 74% | 0.744 | S | S | * | * | 60.8 | 63.8 | 68.8 | 67.4 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1712 | F | 26.6 | Very low | 25.8 | Very low | 192 Ų | 192 | 144 Ų | 144 | 84% | 0.842 | 74% | 0.735 | S | S | * | * | trans | -133.6 | 124.7 | 132.6 | -81.7 | -83.9 | 0 | 0 | 0 | 107.4 | ||||
| 1713 | L | 24.3 | Very low | 25.6 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 67% | 0.67 | 73% | 0.728 | S | S | * | * | 53.4 | 133.7 | 67.2 | -73 | 93.5 | 0 | 0 | 0 | 112.1 | |||||
| 1714 | T | 24.7 | Very low | 25.6 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 63% | 0.632 | 73% | 0.728 | S | S | * | * | cis | -168.5 | -177.3 | -2.9 | 20.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1715 | R | 23.5 | Very low | 25.5 | Very low | 168 Ų | 168 | 138 Ų | 138 | 63% | 0.634 | 73% | 0.726 | S | S | * | * | trans | 74.1 | 91.2 | 148.7 | -72.3 | 149.5 | -178.2 | -145.1 | 4.3 | 116.4 | C1717 | R1715-C1717 PolarHBondContact O-N 2.76Š| ||
| 1716 | S | 22.7 | Very low | 25.4 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 85% | 0.853 | 72% | 0.724 | S | S | * | * | -23.4 | 115.5 | 119.3 | 27.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1717 | C | 24.1 | Very low | 25.3 | Very low | 101 Ų | 101 | 141 Ų | 141 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | trans | -134.6 | 124.7 | 168.4 | -75.5 | 0 | 0 | 0 | 0 | 107.7 | R1715 | R1715-C1717 PolarHBondContact O-N 2.76Š| ||
| 1718 | H | 25.4 | Very low | 25.3 | Very low | 199 Ų | 199 | 139.3 Ų | 139.3 | 92% | 0.921 | 72% | 0.724 | S | S | * | * | trans | -65.4 | 135 | 179.3 | -72.5 | -90.8 | 0 | 0 | 0 | 111.2 | ||||
| 1719 | R | 25.1 | Very low | 25.3 | Very low | 230 Ų | 230 | 139.8 Ų | 139.8 | 87% | 0.868 | 73% | 0.731 | S | S | * | * | trans | -119.7 | 125.7 | 157.7 | -155.7 | 172.2 | -169.6 | 171.6 | 1.8 | 107.6 | K1721 | R1719-K1721 PolarHBondContact O-N 3.15Š| ||
| 1720 | P | 27.4 | Very low | 25.4 | Very low | 81 Ų | 81 | 143.6 Ų | 143.6 | 53% | 0.526 | 74% | 0.739 | S | S | . | * | trans | -67.9 | 105.6 | -179.8 | -16.8 | 30.2 | 0 | 0 | 0 | 109.9 | G1722 | P1720-G1722 PolarHBondContact O-N 3.49Š| ||
| 1721 | K | 25.7 | Very low | 25.3 | Very low | 215 Ų | 215 | 144.8 Ų | 144.8 | 94% | 0.935 | 75% | 0.745 | S | S | * | * | trans | -68.4 | 120.5 | 171.6 | -74.6 | -169.5 | 173.6 | -172.3 | 0 | 108.5 | R1719 | R1719-K1721 PolarHBondContact O-N 3.15Š| ||
| 1722 | G | 27.7 | Very low | 25.4 | Very low | 54 Ų | 54 | 145.2 Ų | 145.2 | 56% | 0.557 | 75% | 0.751 | S | S | * | * | trans | 157.5 | 48.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | P1720 R1993 | P1720-G1722 PolarHBondContact O-N 3.49Å; G1722-R1993 PolarHBondContact O-NH2 3.47Å | ||
| 1723 | Q | 24.9 | Very low | 25.4 | Very low | 137 Ų | 137 | 142.7 Ų | 142.7 | 64% | 0.64 | 75% | 0.745 | S | S | * | * | trans | 176.9 | 103.5 | 169.5 | -105.6 | 165.1 | -18 | 0 | 0 | 108.5 | ||||
| 1724 | S | 26 | Very low | 25.6 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -173.8 | 109.7 | 168 | 49.7 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 1725 | N | 24.7 | Very low | 25.8 | Very low | 161 Ų | 161 | 147 Ų | 147 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | 57.5 | 143.5 | 70.6 | -68.1 | 22.3 | 0 | 0 | 0 | 112.9 | |||||
| 1726 | S | 26.5 | Very low | 26 | Very low | 94 Ų | 94 | 146.2 Ų | 146.2 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | trans | 86.6 | 94.3 | -173.8 | -140.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1727 | F | 24 | Very low | 26.2 | Very low | 184 Ų | 184 | 146 Ų | 146 | 81% | 0.807 | 75% | 0.753 | S | S | * | * | trans | -133.3 | 24.9 | 145 | -122.8 | -66.8 | 0 | 0 | 0 | 112 | D1729 | F1727-D1729 PolarHBondContact O-N 3.17Š| ||
| 1728 | D | 25.5 | Very low | 26.3 | Very low | 138 Ų | 138 | 150.8 Ų | 150.8 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | -79.3 | 96.1 | 147.5 | -78.5 | -59.4 | 0 | 0 | 0 | 106.8 | ||||
| 1729 | D | 25.8 | Very low | 26.4 | Very low | 144 Ų | 144 | 149.2 Ų | 149.2 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | -171 | 62.5 | 158 | -118.1 | -12.4 | 0 | 0 | 0 | 112.4 | F1727 | F1727-D1729 PolarHBondContact O-N 3.17Š| ||
| 1730 | R | 27.1 | Very low | 26.6 | Very low | 222 Ų | 222 | 143.2 Ų | 143.2 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | -163.3 | 65 | 151.7 | -112.5 | 164.9 | -175.6 | -140.1 | -10.7 | 113.1 | ||||
| 1731 | L | 24.7 | Very low | 26.5 | Very low | 161 Ų | 161 | 149 Ų | 149 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -66.8 | 178.2 | 150.6 | -84.8 | 167.5 | 0 | 0 | 0 | 110.6 | ||||
| 1732 | S | 26.9 | Very low | 26.7 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 74.6 | 127 | -169.8 | 85.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1733 | I | 26.5 | Very low | 26.7 | Very low | 140 Ų | 140 | 150.2 Ų | 150.2 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | cis | -132.3 | 108 | 5.5 | -60.2 | 170 | 0 | 0 | 0 | 110.6 | R1735 | I1733-R1735 HydrophobicContact CG2-CB 4.45Å; I1733-R1735 HydrophobicContact CG2-CG 3.78Å | ||
| 1734 | S | 28 | Very low | 26.9 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -85.5 | 127.4 | 136.3 | 42.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1735 | R | 28.8 | Very low | 27 | Very low | 211 Ų | 211 | 148.2 Ų | 148.2 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | trans | -84.1 | 155.6 | 168.3 | -93.1 | 175.8 | 170.4 | 177.4 | -6.7 | 108.7 | I1733 | I1733-R1735 HydrophobicContact CG2-CB 4.45Å; I1733-R1735 HydrophobicContact CG2-CG 3.78Å | ||
| 1736 | F | 28.2 | Very low | 27.1 | Very low | 152 Ų | 152 | 145.7 Ų | 145.7 | 67% | 0.667 | 77% | 0.768 | S | S | * | * | trans | 71.2 | 112 | -161.8 | -59 | -83.2 | 0 | 0 | 0 | 111.9 | I782 T786 | I782-F1736 HydrophobicContact CG2-CZ 4.18Å; T786-F1736 HydrophobicContact CG2-CD2 4.32Å; T786-F1736 HydrophobicContact CG2-CE2 3.68Å; T786-F1736 HydrophobicContact CG2-CZ 4.04Å | ||
| 1737 | T | 26.9 | Very low | 27.2 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | S | Bend | cis | -140.7 | 125.5 | 3.7 | 46.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1738 | Q | 27.6 | Very low | 27.4 | Very low | 201 Ų | 201 | 143.9 Ų | 143.9 | 94% | 0.939 | 77% | 0.772 | S | S | * | * | trans | -171.1 | 121.7 | 138.3 | -108.9 | 176.3 | 6.8 | 0 | 0 | 109.1 | ||||
| 1739 | L | 26.6 | Very low | 27.7 | Very low | 166 Ų | 166 | 141.4 Ų | 141.4 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -128.5 | 107.9 | 164.1 | -113.6 | 175 | 0 | 0 | 0 | 108 | ||||
| 1740 | S | 28.4 | Very low | 27.7 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 49.9 | 93.6 | 161.2 | 61 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1741 | E | 26.8 | Very low | 27.8 | Very low | 201 Ų | 201 | 133.9 Ų | 133.9 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | trans | -98.8 | 76.6 | 137.5 | -78.2 | -156.6 | 127.5 | 0 | 0 | 110.5 | ||||
| 1742 | V | 29.4 | Very low | 28 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 65% | 0.648 | 76% | 0.761 | S | S | * | * | trans | -145.4 | 72.9 | 161.5 | -165.2 | 0 | 0 | 0 | 0 | 112 | T1744 | V1742-T1744 HydrophobicContact CG1-CG2 4.28Š| ||
| 1743 | M | 27.4 | Very low | 28.2 | Very low | 188 Ų | 188 | 133.3 Ų | 133.3 | 93% | 0.926 | 76% | 0.757 | S | S | * | * | trans | -124.2 | 79.7 | 152.5 | -89.7 | -89.4 | 179.2 | 0 | 0 | 108.9 | ||||
| 1744 | T | 28.3 | Very low | 28.5 | Very low | 77 Ų | 77 | 135.1 Ų | 135.1 | 47% | 0.472 | 76% | 0.763 | S | S | . | * | trans | -41.6 | 149 | 171.4 | 51.6 | 0 | 0 | 0 | 0 | 115.3 | K1458 V1742 | K1458-T1744 PolarHBondContact NZ-OG1 3.12Å; V1742-T1744 HydrophobicContact CG1-CG2 4.28Å | ||
| 1745 | T | 28.9 | Very low | 28.5 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | trans | 112.9 | 113 | 152.2 | 67.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1746 | S | 27.5 | Very low | 28.6 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | 24 | 139.1 | 137.2 | 58.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 1747 | S | 28.9 | Very low | 28.8 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | cis | -160.5 | 158.2 | 31.6 | 40.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1748 | V | 27.7 | Very low | 29.1 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | cis | 72.3 | 75 | 38.6 | -169.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1749 | A | 30.7 | Very low | 29.1 | Very low | 86 Ų | 86 | 131.2 Ų | 131.2 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | trans | -173.4 | 125.6 | 142.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1750 | S | 26.9 | Very low | 29.2 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | cis | 74 | 73 | 16.5 | 91 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1751 | S | 28.6 | Very low | 29.1 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | trans | 179.9 | 147.4 | 156.5 | 25.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1752 | D | 28.3 | Very low | 29.2 | Very low | 148 Ų | 148 | 127.5 Ų | 127.5 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | cis | -158.3 | 172.4 | -9.1 | -113.8 | -31.1 | 0 | 0 | 0 | 111.3 | ||||
| 1753 | T | 31.6 | Very low | 29 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | trans | 109.9 | 112.4 | 153.7 | 68.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1754 | Q | 32.3 | Very low | 28.9 | Very low | 178 Ų | 178 | 123.2 Ų | 123.2 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | 49 | 136.7 | 120.2 | -56.5 | 170 | 15.9 | 0 | 0 | 119.3 | |||||
| 1755 | S | 28.2 | Very low | 28.9 | Very low | 90 Ų | 90 | 124.9 Ų | 124.9 | 63% | 0.629 | 73% | 0.729 | S | S | * | * | cis | -177.9 | -173.2 | -6.3 | 53.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 1756 | I | 31.7 | Very low | 28.9 | Very low | 147 Ų | 147 | 125.9 Ų | 125.9 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | trans | 71.8 | 92.2 | 160.4 | -57.6 | 159.7 | 0 | 0 | 0 | 116.1 | ||||
| 1757 | H | 31.6 | Very low | 29.1 | Very low | 156 Ų | 156 | 127.7 Ų | 127.7 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | 46.6 | 137.6 | 118.9 | -89.8 | -106.2 | 0 | 0 | 0 | 123.2 | |||||
| 1758 | H | 32.9 | Very low | 29.2 | Very low | 149 Ų | 149 | 128.5 Ų | 128.5 | 69% | 0.69 | 72% | 0.724 | S | S | * | * | trans | 81.9 | 105.2 | 145.3 | -72.5 | -49.4 | 0 | 0 | 0 | 121.7 | ||||
| 1759 | K | 28.4 | Very low | 29.3 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 73% | 0.73 | 72% | 0.721 | S | S | * | * | 70.5 | 156.9 | 124.1 | -86.4 | -179.9 | 143.1 | -138.7 | 0 | 120.4 | |||||
| 1760 | E | 29.3 | Very low | 29.3 | Very low | 145 Ų | 145 | 129.1 Ų | 129.1 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | trans | 61.9 | 96.3 | 160.7 | -75.6 | 146.6 | -132.5 | 0 | 0 | 114.5 | ||||
| 1761 | S | 26 | Very low | 29.6 | Very low | 93 Ų | 93 | 129.2 Ų | 129.2 | 65% | 0.65 | 72% | 0.718 | S | S | * | * | 90.6 | 157.8 | 81.5 | 72.4 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1762 | I | 29.2 | Very low | 29.7 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 80% | 0.795 | 72% | 0.721 | S | S | * | * | trans | 69.6 | 102.6 | 176.3 | -52.3 | 165.6 | 0 | 0 | 0 | 110.4 | ||||
| 1763 | S | 24.3 | Very low | 29.9 | Very low | 100 Ų | 100 | 126.4 Ų | 126.4 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | 68 | 145.8 | 72.4 | -174.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1764 | S | 26.3 | Very low | 29.9 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | 71.4 | 153.1 | 169.6 | -57.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 1765 | T | 27.6 | Very low | 29.8 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 69% | 0.687 | 72% | 0.72 | S | S | * | * | cis | -167.1 | 178.5 | -22.3 | -78.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1766 | L | 29.9 | Very low | 30 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | trans | 78.7 | 138.5 | 170.4 | -46.3 | 170.5 | 0 | 0 | 0 | 113.4 | ||||
| 1767 | L | 31.2 | Very low | 29.9 | Very low | 144 Ų | 144 | 126.4 Ų | 126.4 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | cis | -163 | 166.7 | -3.8 | -111.4 | 173.8 | 0 | 0 | 0 | 105.8 | ||||
| 1768 | I | 30.9 | Very low | 29.8 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 64% | 0.641 | 73% | 0.732 | S | S | * | * | cis | -158.3 | 155.9 | 13.9 | -171.3 | 154 | 0 | 0 | 0 | 109.8 | ||||
| 1769 | N | 29.5 | Very low | 29.5 | Very low | 141 Ų | 141 | 125.4 Ų | 125.4 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | 48.9 | 135.1 | 155.4 | -72.3 | 7.7 | 0 | 0 | 0 | 121.9 | ||||
| 1770 | S | 31.1 | Very low | 29.5 | Very low | 91 Ų | 91 | 125.7 Ų | 125.7 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | cis | -157.5 | 149.1 | 4 | -83.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1771 | S | 32.2 | Very low | 29.4 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | 54.9 | 137.2 | 148.8 | 55.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1772 | S | 31.7 | Very low | 29.6 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | cis | -173.9 | 147.1 | -8.7 | 48.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1773 | A | 31.8 | Very low | 29.7 | Very low | 82 Ų | 82 | 127.8 Ų | 127.8 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | 63.4 | 141.7 | 151.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1774 | H | 31.3 | Very low | 30 | Very low | 188 Ų | 188 | 128.3 Ų | 128.3 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | cis | -157.4 | 141.4 | -15.6 | -110.9 | -56.7 | 0 | 0 | 0 | 110.4 | ||||
| 1775 | S | 30.9 | Very low | 30.5 | Very low | 104 Ų | 104 | 129 Ų | 129 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -126.4 | 170.6 | 153.6 | 64.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1776 | P | 33.3 | Very low | 30.7 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | -153.2 | -173.5 | 93.3 | 40.7 | -21.8 | 0 | 0 | 0 | 115.5 | |||||
| 1777 | S | 27.7 | Very low | 30.9 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | -140.6 | 152.7 | 176.5 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1778 | T | 30.1 | Very low | 30.9 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -164.8 | 112.7 | 171 | -28.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 1779 | I | 26.4 | Very low | 30.8 | Very low | 152 Ų | 152 | 127.2 Ų | 127.2 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | 63.7 | 109.5 | 63 | -55.8 | -179.8 | 0 | 0 | 0 | 113.9 | |||||
| 1780 | L | 29.7 | Very low | 30.8 | Very low | 174 Ų | 174 | 129.9 Ų | 129.9 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | trans | -163.2 | 156.5 | 149.9 | -112.1 | 167.3 | 0 | 0 | 0 | 109.9 | ||||
| 1781 | S | 26.7 | Very low | 30.6 | Very low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -137.6 | 140.9 | -166.2 | 52 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1782 | V | 30.7 | Very low | 30.5 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 93% | 0.933 | 78% | 0.782 | S | S | * | * | trans | -143 | 170.5 | 172.9 | -171.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1783 | Q | 30.6 | Very low | 30.3 | Very low | 176 Ų | 176 | 133.6 Ų | 133.6 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -140.1 | 156.3 | -143.1 | -134.4 | 172.9 | -26.4 | 0 | 0 | 114.5 | ||||
| 1784 | S | 31 | Very low | 30.2 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 88.9 | 165 | 144.3 | 94.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1785 | P | 36.3 | Very low | 29.9 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | -148.7 | -163.6 | -127.3 | 40.5 | -15.1 | 0 | 0 | 0 | 118.9 | |||||
| 1786 | A | 32.1 | Very low | 29.8 | Very low | 81 Ų | 81 | 135.2 Ų | 135.2 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | 96.2 | 163 | 139.9 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1787 | N | 32.8 | Very low | 29.5 | Very low | 137 Ų | 137 | 132.7 Ų | 132.7 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | 87.1 | 123.6 | 170.6 | -57.3 | -28.6 | 0 | 0 | 0 | 117.6 | ||||
| 1788 | Q | 31.6 | Very low | 29.4 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | 75.3 | 140.6 | 58.6 | -71.7 | -173.2 | 20.1 | 0 | 0 | 113.1 | |||||
| 1789 | S | 29.6 | Very low | 29.4 | Very low | 92 Ų | 92 | 133 Ų | 133 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | cis | -159.5 | 166.8 | -1.1 | -176.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1790 | F | 30.2 | Very low | 29.4 | Very low | 198 Ų | 198 | 132.6 Ų | 132.6 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | 174.3 | 173.7 | 83.1 | -121.5 | -82.5 | 0 | 0 | 0 | 112.9 | |||||
| 1791 | M | 25.5 | Very low | 29.4 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 77% | 0.768 | 77% | 0.766 | S | S | * | * | trans | -107.2 | 162.9 | 175.6 | -78.7 | -169.5 | 68.2 | 0 | 0 | 114.5 | V1793 | M1791-V1793 HydrophobicContact CE-CG2 4.2Š| ||
| 1792 | V | 30.5 | Very low | 29.3 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | trans | 165.3 | 121.2 | 141.6 | 150 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1793 | V | 26.6 | Very low | 29.1 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | 78.3 | 150 | 57.6 | 178.3 | 0 | 0 | 0 | 0 | 112.4 | M1791 | M1791-V1793 HydrophobicContact CE-CG2 4.2Š| |||
| 1794 | I | 31.1 | Very low | 29.1 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | 83.6 | 144.4 | -171.6 | -52.7 | 170.4 | 0 | 0 | 0 | 113.3 | ||||
| 1795 | D | 25.4 | Very low | 28.8 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | cis | 174.6 | 153.8 | -44.9 | -119.8 | -47 | 0 | 0 | 0 | 107.4 | ||||
| 1796 | T | 27.5 | Very low | 28.5 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 83% | 0.828 | 74% | 0.74 | S | S | * | * | trans | 58.4 | 168.6 | 164.5 | 59.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1797 | A | 26.5 | Very low | 28.2 | Very low | 73 Ų | 73 | 134.5 Ų | 134.5 | 60% | 0.603 | 74% | 0.743 | S | S | * | * | cis | -169.7 | 159.1 | -43.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1798 | T | 26.8 | Very low | 28 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 85% | 0.847 | 75% | 0.751 | S | S | * | * | trans | 62.4 | 159.1 | 159 | 39.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1799 | S | 28.9 | Very low | 27.7 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | cis | -153.8 | 168.3 | -7.7 | 35.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1800 | N | 26.2 | Very low | 27.6 | Very low | 143 Ų | 143 | 133.2 Ų | 133.2 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | trans | -48.6 | 150.4 | 169.2 | -45 | -33.2 | 0 | 0 | 0 | 113.6 | ||||
| 1801 | E | 30 | Very low | 27.4 | Very low | 191 Ų | 191 | 128.9 Ų | 128.9 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | -173.6 | 176.3 | 118.6 | -104.6 | 175.6 | -170.1 | 0 | 0 | 112 | |||||
| 1802 | F | 25.6 | Very low | 27.7 | Very low | 176 Ų | 176 | 128.4 Ų | 128.4 | 77% | 0.772 | 75% | 0.751 | S | S | * | * | -158 | 144 | -90.5 | -146 | -26.7 | 0 | 0 | 0 | 109.4 | |||||
| 1803 | I | 26.6 | Very low | 27.5 | Very low | 120 Ų | 120 | 131 Ų | 131 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | trans | 65.2 | 160.7 | 161.8 | -17.6 | 169.3 | 0 | 0 | 0 | 119 | ||||
| 1804 | H | 29.5 | Very low | 27.8 | Very low | 155 Ų | 155 | 132.5 Ų | 132.5 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | trans | 77.5 | 134.5 | 154.7 | -70.2 | -57.9 | 0 | 0 | 0 | 118.9 | ||||
| 1805 | T | 25.5 | Very low | 27.6 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | cis | 167 | 170.6 | -24.4 | 24.7 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 1806 | S | 29.6 | Very low | 27.9 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 66.8 | 130.1 | -174.6 | 70.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1807 | S | 26.2 | Very low | 28 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | cis | 76.2 | 113.1 | 34.1 | 85.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1808 | L | 28.7 | Very low | 28.1 | Very low | 171 Ų | 171 | 131.8 Ų | 131.8 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | -163.8 | 170.4 | 128.8 | -129.3 | 77.3 | 0 | 0 | 0 | 111.1 | |||||
| 1809 | S | 24.8 | Very low | 28.2 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -115.5 | 150.1 | -172.6 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1810 | S | 28.8 | Very low | 28.2 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | 160.5 | 134.4 | 150.7 | 42.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 1811 | S | 25.5 | Very low | 28.3 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | cis | 79.1 | 99.2 | 33.8 | 83.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 1812 | T | 30.9 | Very low | 28.3 | Very low | 146 Ų | 146 | 133.7 Ų | 133.7 | 90% | 0.896 | 76% | 0.761 | S | S | * | * | trans | -162.8 | 156.8 | 147.6 | 3.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1813 | H | 27.8 | Very low | 28.5 | Very low | 181 Ų | 181 | 130.5 Ų | 130.5 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | trans | -102.2 | 157.4 | -176.8 | -70.7 | -120.3 | 0 | 0 | 0 | 112.2 | ||||
| 1814 | T | 31.5 | Very low | 28.6 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | trans | 170.5 | 111.9 | 135.3 | 29.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1815 | S | 27.2 | Very low | 28.5 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | 75.3 | 99.4 | 61 | 76.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1816 | G | 32.7 | Very low | 28.6 | Very low | 79 Ų | 79 | 136.4 Ų | 136.4 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | trans | -167.5 | 61.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1817 | S | 27.9 | Very low | 28.3 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -40.8 | 136.8 | 168.3 | 154.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1818 | M | 30.2 | Very low | 28.3 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | -168.5 | 165 | 91.3 | -138.8 | 152.4 | 85.6 | 0 | 0 | 113.9 | |||||
| 1819 | N | 28.2 | Very low | 28.2 | Very low | 138 Ų | 138 | 142 Ų | 142 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | -80.7 | 169.7 | -174.9 | -56.3 | -32.3 | 0 | 0 | 0 | 113.5 | ||||
| 1820 | W | 28.8 | Very low | 28.3 | Very low | 212 Ų | 212 | 141.5 Ų | 141.5 | 80% | 0.803 | 77% | 0.765 | S | S | * | * | -172.9 | 123.4 | 101.7 | -101.7 | 86.6 | 0 | 0 | 0 | 112.3 | |||||
| 1821 | L | 28.4 | Very low | 28.2 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 60% | 0.597 | 77% | 0.767 | S | S | * | * | trans | 39.5 | 115.9 | 157.6 | -88.6 | 58.9 | 0 | 0 | 0 | 123.3 | ||||
| 1822 | E | 29.1 | Very low | 28.3 | Very low | 154 Ų | 154 | 145.2 Ų | 145.2 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | 65.1 | 141.9 | 114 | -66.7 | -170.4 | 152.1 | 0 | 0 | 122.1 | |||||
| 1823 | N | 29.7 | Very low | 28.3 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 59% | 0.588 | 77% | 0.766 | S | S | * | * | cis | -151.9 | 158.8 | -1.9 | -127.5 | -31.7 | 0 | 0 | 0 | 114.9 | ||||
| 1824 | N | 29.9 | Very low | 28.4 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | 61.4 | 97.6 | 161.7 | -62.9 | -39.3 | 0 | 0 | 0 | 119.7 | ||||
| 1825 | N | 27 | Very low | 28.3 | Very low | 142 Ų | 142 | 143.3 Ų | 143.3 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | -120 | 140 | 167.7 | -126.2 | -59.8 | 0 | 0 | 0 | 109.3 | ||||
| 1826 | R | 27.6 | Very low | 28.2 | Very low | 217 Ų | 217 | 144 Ų | 144 | 82% | 0.819 | 75% | 0.749 | S | S | * | * | trans | 63.1 | 146.3 | 157.7 | -63.8 | 173.5 | -178.8 | -160.7 | -2.7 | 117.5 | ||||
| 1827 | L | 24.2 | Very low | 27.8 | Very low | 157 Ų | 157 | 146.4 Ų | 146.4 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | 67.1 | 128.5 | 55 | -105.1 | 170.5 | 0 | 0 | 0 | 114.3 | |||||
| 1828 | I | 25.5 | Very low | 27.8 | Very low | 136 Ų | 136 | 151.7 Ų | 151.7 | 70% | 0.697 | 75% | 0.747 | S | S | * | * | trans | 104.5 | 104.4 | 158.5 | -62.5 | 166.4 | 0 | 0 | 0 | 118.9 | ||||
| 1829 | Y | 26.4 | Very low | 27.6 | Very low | 206 Ų | 206 | 150.1 Ų | 150.1 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | trans | 57.9 | 116.4 | 137.6 | -78.3 | -108.7 | 0 | 0 | 0 | 124.2 | ||||
| 1830 | S | 25.9 | Very low | 27.6 | Very low | 95 Ų | 95 | 150 Ų | 150 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | 87.6 | 171.4 | 115.4 | 79.9 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1831 | T | 27.3 | Very low | 27.7 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | trans | 86.6 | 153 | 171.4 | 57.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1832 | L | 27.4 | Very low | 27.7 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | trans | -89.4 | 162.1 | -172.1 | -68.8 | 60.5 | 0 | 0 | 0 | 109.5 | ||||
| 1833 | D | 30.9 | Very low | 27.8 | Very low | 145 Ų | 145 | 143.1 Ų | 143.1 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | -164.8 | 163.3 | 105.7 | -125.1 | -33.8 | 0 | 0 | 0 | 114.2 | |||||
| 1834 | T | 30.5 | Very low | 27.7 | Very low | 105 Ų | 105 | 149 Ų | 149 | 64% | 0.644 | 76% | 0.758 | S | S | * | * | trans | -100.5 | 138 | 170.5 | 58.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1835 | Q | 29.5 | Very low | 27.7 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -165.4 | 122.7 | 147.7 | -92.2 | -110.5 | -0.5 | 0 | 0 | 113 | ||||
| 1836 | L | 25.4 | Very low | 28 | Very low | 129 Ų | 129 | 144.6 Ų | 144.6 | 68% | 0.675 | 75% | 0.75 | S | S | * | * | trans | 34 | 119.4 | 134 | -79.1 | 157.7 | 0 | 0 | 0 | 121.7 | ||||
| 1837 | N | 24.8 | Very low | 28.1 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | 49.8 | 104 | 125.7 | -91.7 | -28.7 | 0 | 0 | 0 | 119.5 | |||||
| 1838 | R | 27 | Very low | 28.5 | Very low | 219 Ų | 219 | 136.4 Ų | 136.4 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | 175.6 | 130.2 | 100.2 | -95.3 | 156.1 | 178.7 | 168.4 | -0.1 | 115.8 | |||||
| 1839 | N | 26.1 | Very low | 28.8 | Very low | 131 Ų | 131 | 135 Ų | 135 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | trans | 66.3 | 143.7 | 132.6 | -60.8 | -2.7 | 0 | 0 | 0 | 122.8 | ||||
| 1840 | T | 28.2 | Very low | 29 | Very low | 136 Ų | 136 | 129 Ų | 129 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | trans | 66.9 | 135.8 | 157.7 | 50 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1841 | S | 30.9 | Very low | 29.3 | Very low | 88 Ų | 88 | 134.7 Ų | 134.7 | 62% | 0.615 | 74% | 0.743 | S | S | * | * | cis | -165.4 | 147 | -13.1 | 46.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1842 | N | 29.1 | Very low | 29.4 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 81% | 0.807 | 74% | 0.743 | S | S | * | * | trans | 66 | 143.4 | 156.3 | -57.5 | -21.8 | 0 | 0 | 0 | 118 | ||||
| 1843 | C | 29.4 | Very low | 30 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 65% | 0.649 | 74% | 0.74 | S | S | * | * | cis | -153.2 | 140.9 | 1.5 | -131.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1844 | R | 28.8 | Very low | 30 | Very low | 233 Ų | 233 | 133.8 Ų | 133.8 | 88% | 0.879 | 73% | 0.733 | S | S | * | * | trans | 32.2 | 146.3 | 141 | -63.2 | 174.9 | 179.5 | 176.2 | -1.6 | 120.8 | ||||
| 1845 | S | 29.5 | Very low | 30.2 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | cis | -175.6 | 174.4 | -12.5 | 54.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1846 | S | 32.9 | Very low | 30.4 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | cis | -161.8 | 132.7 | 17.8 | -17.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1847 | S | 30.5 | Very low | 30.7 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | 58.9 | 141.6 | 103.7 | 72.6 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 1848 | A | 33.3 | Very low | 31.2 | Very low | 84 Ų | 84 | 138 Ų | 138 | 69% | 0.694 | 74% | 0.736 | S | S | * | * | cis | -151.9 | 148.9 | 17.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1849 | S | 30.6 | Very low | 31.3 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | 72.6 | 154.7 | 68.3 | 117 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1850 | S | 31.1 | Very low | 31.5 | Very low | 78 Ų | 78 | 133.8 Ų | 133.8 | 55% | 0.545 | 73% | 0.732 | S | S | . | * | cis | -173.6 | 163.8 | -17.8 | 40.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1851 | Y | 32.2 | Very low | 31.5 | Very low | 216 Ų | 216 | 132.1 Ų | 132.1 | 85% | 0.847 | 73% | 0.726 | S | S | * | * | 174.3 | 166.3 | 88.3 | -106.7 | -71.2 | 0 | 0 | 0 | 115.5 | |||||
| 1852 | Y | 30.2 | Very low | 31.3 | Very low | 210 Ų | 210 | 133.6 Ų | 133.6 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | trans | -86.4 | -156.8 | 171.7 | -86 | -101.1 | 0 | 0 | 0 | 112.3 | ||||
| 1853 | P | 38.3 | Very low | 31.2 | Very low | 120 Ų | 120 | 133 Ų | 133 | 78% | 0.779 | 73% | 0.733 | S | S | * | * | cis | -131.4 | -143.7 | -6.6 | 28.8 | -1.7 | 0 | 0 | 0 | 113.5 | ||||
| 1854 | S | 32.3 | Very low | 31.1 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 62% | 0.622 | 73% | 0.734 | S | S | * | * | -162.4 | -164.1 | -74.7 | -68.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1855 | N | 33.8 | Very low | 30.9 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | trans | 87.4 | 150.2 | 165.7 | -60.7 | -9.9 | 0 | 0 | 0 | 120.2 | ||||
| 1856 | H | 33.1 | Very low | 30.7 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | cis | -171.5 | 163.5 | -35.4 | -134.6 | -84.6 | 0 | 0 | 0 | 112.6 | ||||
| 1857 | Y | 33.7 | Very low | 30.6 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | 93.2 | 124.2 | 152.2 | -62.3 | -51.5 | 0 | 0 | 0 | 126.2 | ||||
| 1858 | H | 33.8 | Very low | 30.8 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | 55.9 | 149.6 | 129.2 | -71.1 | -50 | 0 | 0 | 0 | 124.6 | |||||
| 1859 | T | 29.1 | Very low | 30.5 | Very low | 114 Ų | 114 | 132 Ų | 132 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | cis | -170.8 | -176.5 | -37.1 | 11.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1860 | I | 31.1 | Very low | 30.4 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | 100.3 | 88.7 | 157.3 | -49.4 | -176 | 0 | 0 | 0 | 118.7 | ||||
| 1861 | S | 28 | Very low | 30.2 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | 60.1 | 141.4 | 114.4 | -47.6 | 0 | 0 | 0 | 0 | 126.5 | |||||
| 1862 | T | 26.7 | Very low | 30 | Very low | 120 Ų | 120 | 129.7 Ų | 129.7 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | trans | 93 | 121.8 | 132.9 | 34.7 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1863 | T | 25.9 | Very low | 30 | Very low | 137 Ų | 137 | 129 Ų | 129 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | trans | 82.4 | 149.1 | 139.4 | 47.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1864 | S | 28.2 | Very low | 29.5 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | trans | -90.2 | 162.4 | -175.4 | 51.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1865 | F | 25.1 | Very low | 29.3 | Very low | 204 Ų | 204 | 133.3 Ų | 133.3 | 90% | 0.895 | 75% | 0.752 | S | S | * | * | -170 | -175.7 | 121.9 | -111.4 | -73.6 | 0 | 0 | 0 | 112.7 | |||||
| 1866 | S | 25.8 | Very low | 29 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | -76 | 166.7 | -161.8 | 51.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1867 | S | 30.2 | Very low | 28.7 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | trans | -57.2 | 164.3 | 164 | -32.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1868 | P | 33.9 | Very low | 28.4 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | -157 | 169.8 | 74.1 | 41.9 | -22.2 | 0 | 0 | 0 | 119.1 | |||||
| 1869 | G | 27.4 | Very low | 27.9 | Very low | 69 Ų | 69 | 128.9 Ų | 128.9 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | 100.5 | 165.4 | 132.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1870 | I | 29.1 | Very low | 27.8 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 82% | 0.821 | 77% | 0.77 | S | S | * | * | trans | 69.1 | 97.5 | 167.4 | -56.2 | 169.5 | 0 | 0 | 0 | 113.8 | ||||
| 1871 | S | 26.9 | Very low | 27.4 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | 56.1 | 139.4 | 70.3 | 81.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1872 | S | 28.2 | Very low | 27.7 | Very low | 85 Ų | 85 | 130.4 Ų | 130.4 | 59% | 0.594 | 77% | 0.771 | S | S | * | * | cis | -148.9 | 168.6 | 1.5 | 45.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 1873 | F | 29.4 | Very low | 27.7 | Very low | 195 Ų | 195 | 130.6 Ų | 130.6 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | -178.2 | 161 | 87.2 | -99.2 | -77.5 | 0 | 0 | 0 | 113.1 | |||||
| 1874 | H | 29 | Very low | 27.6 | Very low | 168 Ų | 168 | 132 Ų | 132 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | trans | -59.5 | 166.8 | 162.8 | -66.1 | -102.7 | 0 | 0 | 0 | 111.8 | ||||
| 1875 | T | 26.5 | Very low | 27.5 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | cis | -156.9 | -175.1 | 23.8 | -15.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1876 | S | 28.5 | Very low | 27.5 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | cis | -145.7 | -135.5 | 13.7 | 61.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1877 | Q | 25.9 | Very low | 27.6 | Very low | 172 Ų | 172 | 128 Ų | 128 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -145.8 | 159.7 | -176.6 | -63 | 159.8 | -61.8 | 0 | 0 | 110.4 | ||||
| 1878 | L | 26.9 | Very low | 27.5 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | 152.9 | 99.8 | 144.3 | -85 | 164.5 | 0 | 0 | 0 | 107.2 | ||||
| 1879 | S | 23.3 | Very low | 27 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | cis | 63.6 | 98.3 | 40.2 | 88.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1880 | I | 26.9 | Very low | 27.2 | Very low | 173 Ų | 173 | 134 Ų | 134 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | trans | -161.7 | 144.3 | 143.5 | -98.8 | 149.8 | 0 | 0 | 0 | 109.2 | ||||
| 1881 | S | 23.9 | Very low | 27.1 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | -166.4 | 175.5 | 173.5 | 65.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1882 | P | 34.2 | Very low | 27 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | cis | -119 | -116 | -24.8 | 37.7 | -21.6 | 0 | 0 | 0 | 110 | ||||
| 1883 | V | 26.5 | Very low | 27 | Very low | 123 Ų | 123 | 134 Ų | 134 | 75% | 0.745 | 78% | 0.779 | S | S | * | * | trans | 88 | 119.3 | 174.3 | -177.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1884 | L | 24.4 | Very low | 27 | Very low | 166 Ų | 166 | 129.6 Ų | 129.6 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | cis | 78.2 | 97.1 | 45 | -86 | 160.4 | 0 | 0 | 0 | 116.3 | ||||
| 1885 | S | 26.2 | Very low | 27.1 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | -163.1 | 158.1 | 144.5 | -158 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1886 | S | 25.7 | Very low | 27.7 | Very low | 118 Ų | 118 | 122.9 Ų | 122.9 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -93.3 | 153.9 | 178.5 | 54 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1887 | G | 26.7 | Very low | 28.6 | Very low | 77 Ų | 77 | 119.2 Ų | 119.2 | 79% | 0.794 | 70% | 0.704 | S | S | * | * | trans | -149 | 122 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1888 | S | 27.3 | Very low | 30.1 | Very low | 118 Ų | 118 | 111.3 Ų | 111.3 | 83% | 0.825 | 67% | 0.667 | S | S | * | * | trans | -41.5 | 149.1 | 178.6 | 48.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1889 | K | 24.6 | Very low | 31.5 | Very low | 199 Ų | 199 | 105 Ų | 105 | 87% | 0.865 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 133.5 | 163.7 | -63.5 | 170.5 | -178.5 | 168.8 | 0 | 111.4 | ||
| 1890 | P | 30.8 | Very low | 33.5 | Very low | 117 Ų | 117 | 100.5 Ų | 100.5 | 76% | 0.76 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 151.5 | 169.8 | 30.7 | -34.1 | 0 | 0 | 0 | 112.1 | ||
| 1891 | P | 26.5 | Very low | 35.1 | Very low | 106 Ų | 106 | 94.4 Ų | 94.4 | 69% | 0.688 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 163.7 | -175.6 | 32.6 | -36.5 | 0 | 0 | 0 | 114 | T1893 | P1891-T1893 PolarHBondContact O-N 3.44Š|
| 1892 | K | 26.6 | Very low | 36.7 | Very low | 144 Ų | 144 | 92.4 Ų | 92.4 | 63% | 0.626 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -86.3 | 71.9 | 177.8 | -70.1 | -168.6 | 172.5 | -167.9 | 0 | 112.3 | ||
| 1893 | T | 28.4 | Very low | 37.6 | Very low | 102 Ų | 102 | 88.9 Ų | 88.9 | 63% | 0.626 | 54% | 0.537 | S | S | * | . | trans | -148.2 | 134.8 | 177.6 | 33.3 | 0 | 0 | 0 | 0 | 112.9 | P1891 | P1891-T1893 PolarHBondContact O-N 3.44Š| ||
| 1894 | F | 28.4 | Very low | 38.3 | Very low | 101 Ų | 101 | 89.5 Ų | 89.5 | 44% | 0.443 | 54% | 0.54 | S | S | . | . | trans | 41.1 | 108.2 | 160.2 | -77.5 | -81.6 | 0 | 0 | 0 | 120 | R347 I352 | R347-F1894 HydrophobicContact CB-CE1 4.4Å; R347-F1894 WeakPolarHBondContact O-CE1 3.22Å; R347-F1894 WeakPolarHBondContact O-CZ 3.34Å; I352-F1894 HydrophobicContact CD1-CE1 3.69Å; I352-F1894 HydrophobicContact CD1-CZ 3.52Å | ||
| 1895 | V | 30.2 | Very low | 38.6 | Very low | 116 Ų | 116 | 88.4 Ų | 88.4 | 70% | 0.703 | 54% | 0.536 | S | S | * | . | trans | -104.2 | 115.8 | 154.5 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1896 | P | 40.1 | Very low | 38.9 | Very low | 45 Ų | 45 | 90.7 Ų | 90.7 | 29% | 0.292 | 53% | 0.532 | S | S | . | . | trans | -62.1 | 148 | 177.9 | -25.6 | 36.7 | 0 | 0 | 0 | 113 | L373 | L373-P1896 HydrophobicContact CD1-CB 3.72Å; L373-P1896 HydrophobicContact CD1-CG 3.78Å; L373-P1896 HydrophobicContact CD2-CB 3.59Å; L373-P1896 HydrophobicContact CD2-CG 3.43Å; L373-P1896 VanDerWaalsContact CD2-CG 3.43Å; L373-P1896 HydrophobicContact CG-CB 4.27Å; L373-P1896 HydrophobicContact CG-CG 4.09Å | ||
| 1897 | T | 47.9 | Very low | 39.2 | Very low | 28 Ų | 28 | 96.1 Ų | 96.1 | 17% | 0.172 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 126.4 | -177.1 | -56.8 | 0 | 0 | 0 | 0 | 110 | Y298 M344 R345 | Y298-T1897 HydrophobicContact CD2-CG2 3.73Å; Y298-T1897 HydrophobicContact CE2-CG2 3.85Å; Y298-T1897 HydrophobicContact CG-CG2 4.39Å; M344-T1897 WeakPolarHBondContact CA-O 3.39Å; R345-T1897 PolarHBondContact N-O 3.21Å |
| 1898 | A | 56.7 | Low | 39.1 | Very low | 5 Ų | 5 | 99.9 Ų | 99.9 | 4% | 0.041 | 54% | 0.537 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 129.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | I297 Y298 L342 V343 | I297-A1898 HydrophobicContact CD1-CB 4.24Å; Y298-A1898 PolarHBondContact N-O 2.85Å; L342-A1898 HydrophobicContact CD1-CB 4.22Å; L342-A1898 HydrophobicContact CG-CB 4.42Å; V343-A1898 CarbonylContact O-C 3.6Å; V343-A1898 VanDerWaalsContact O-CA 3.31Å; V343-A1898 WeakPolarHBondContact O-CA 3.43Å |
| 1899 | C | 57.1 | Low | 39.3 | Very low | 26 Ų | 26 | 99.5 Ų | 99.5 | 18% | 0.176 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 144.8 | -179.9 | -63.3 | 0 | 0 | 0 | 0 | 110.9 | Y298 L342 V343 L1901 | Y298-C1899 WeakPolarHBondContact O-CA 3.33Å; L342-C1899 WeakPolarHBondContact CA-O 3.38Å; V343-C1899 PolarHBondContact N-O 2.84Å; V343-C1899 PolarHBondContact O-N 3.09Å; C1899-L1901 HydrophobicContact CB-CD2 4.47Å |
| 1900 | V | 65.6 | Low | 39.3 | Very low | 2 Ų | 2 | 94.7 Ų | 94.7 | 1% | 0.012 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.8 | 169.1 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | I297 Y298 L302 Y340 C341 L342 | I297-V1900 HydrophobicContact CG2-CG2 3.51Å; Y298-V1900 PolarHBondContact O-N 3.2Å; Y298-V1900 VanDerWaalsContact O-N 3.15Å; L302-V1900 HydrophobicContact CD1-CB 4.12Å; L302-V1900 HydrophobicContact CD1-CG1 3.92Å; Y340-V1900 HydrophobicContact CD1-CG1 4.07Å; Y340-V1900 HydrophobicContact CG-CG1 4.27Å; C341-V1900 WeakPolarHBondContact O-CA 3.46Å; L342-V1900 HydrophobicContact CD1-CG2 3.63Å |
| 1901 | L | 60.2 | Low | 39.2 | Very low | 45 Ų | 45 | 96.5 Ų | 96.5 | 24% | 0.236 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 149.6 | 179.4 | -51.3 | -178.2 | 0 | 0 | 0 | 110.6 | Q301 Y340 C341 V343 C1899 | Q301-L1901 VanDerWaalsContact OE1-CD2 3.31Å; Y340-L1901 CarbonylContact C-O 3.59Å; Y340-L1901 VanDerWaalsContact CA-O 3.24Å; Y340-L1901 WeakPolarHBondContact CA-O 3.2Å; C341-L1901 PolarHBondContact N-O 3.29Å; C341-L1901 PolarHBondContact O-N 2.71Å; V343-L1901 HydrophobicContact CB-CD1 4.41Å; V343-L1901 HydrophobicContact CG2-CD1 3.6Å; V343-L1901 HydrophobicContact CG2-CG 4.02Å; C1899-L1901 HydrophobicContact CB-CD2 4.47Å |
| 1902 | P | 57 | Low | 39.3 | Very low | 65 Ų | 65 | 96.2 Ų | 96.2 | 42% | 0.422 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 141.1 | 169.5 | -19.9 | 33.1 | 0 | 0 | 0 | 112.4 | A339 Y340 T1904 | A339-P1902 CarbonylContact O-C 3.55Å; A339-P1902 WeakPolarHBondContact O-CA 3.33Å; Y340-P1902 HydrophobicContact CE1-CG 4.41Å; P1902-T1904 PolarHBondContact O-N 2.89Å |
| 1903 | S | 52.7 | Low | 39.5 | Very low | 41 Ų | 41 | 95 Ų | 95 | 29% | 0.287 | 53% | 0.53 | S | S | . | . | trans | -82.1 | 94 | -178.6 | 64.9 | 0 | 0 | 0 | 0 | 111.9 | D338 A339 N1905 | D338-S1903 PolarHBondContact O-OG 3.25Å; D338-S1903 VanDerWaalsContact O-OG 3.12Å; A339-S1903 WeakPolarHBondContact CA-OG 3.22Å; A339-S1903 PolarHBondContact O-N 3.17Å; A339-S1903 PolarHBondContact O-OG 3.39Å; S1903-N1905 VanDerWaalsContact C-N 3.34Å; S1903-N1905 PolarHBondContact O-N 2.91Å | ||
| 1904 | T | 41.9 | Very low | 39.7 | Very low | 135 Ų | 135 | 95.5 Ų | 95.5 | 83% | 0.828 | 54% | 0.535 | S | S | * | . | trans | -73.3 | 81.4 | -179.4 | 55.5 | 0 | 0 | 0 | 0 | 112.2 | P1902 H1906 | P1902-T1904 PolarHBondContact O-N 2.89Å; T1904-H1906 VanDerWaalsContact C-N 3.28Å; T1904-H1906 PolarHBondContact O-N 3.31Å | ||
| 1905 | N | 30.8 | Very low | 39.7 | Very low | 143 Ų | 143 | 99 Ų | 99 | 77% | 0.765 | 55% | 0.551 | S | S | * | * | trans | -80.9 | 53.6 | -165.4 | -136.1 | -25 | 0 | 0 | 0 | 114.6 | S1903 | S1903-N1905 VanDerWaalsContact C-N 3.34Å; S1903-N1905 PolarHBondContact O-N 2.91Å | ||
| 1906 | H | 32.7 | Very low | 39.8 | Very low | 171 Ų | 171 | 101.1 Ų | 101.1 | 79% | 0.792 | 56% | 0.557 | S | S | * | * | trans | -139.9 | 100 | 177.1 | -86.9 | -53.3 | 0 | 0 | 0 | 115.5 | T1904 | T1904-H1906 VanDerWaalsContact C-N 3.28Å; T1904-H1906 PolarHBondContact O-N 3.31Å | ||
| 1907 | R | 30.1 | Very low | 39.2 | Very low | 233 Ų | 233 | 104.2 Ų | 104.2 | 88% | 0.879 | 58% | 0.575 | S | S | * | * | trans | 39.8 | 116.9 | 139.6 | -60.5 | -179.3 | 178.8 | 178.9 | -1 | 120.4 | ||||
| 1908 | N | 24.8 | Very low | 38.3 | Very low | 155 Ų | 155 | 109.7 Ų | 109.7 | 83% | 0.829 | 60% | 0.602 | S | S | * | * | trans | -4.2 | 152 | 138.6 | -67.6 | -7.2 | 0 | 0 | 0 | 119.4 | ||||
| 1909 | P | 31.5 | Very low | 37 | Very low | 111 Ų | 111 | 118.2 Ų | 118.2 | 72% | 0.721 | 64% | 0.638 | S | S | * | * | cis | -142.8 | -171.6 | -16 | 38.8 | -18.3 | 0 | 0 | 0 | 115.5 | ||||
| 1910 | S | 24.6 | Very low | 35.8 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 68% | 0.678 | 67% | 0.665 | S | S | * | * | trans | 64.8 | 116.6 | 149.2 | 61.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1911 | L | 30.2 | Very low | 34.2 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 81% | 0.812 | 70% | 0.698 | S | S | * | * | -175.1 | 113.8 | 112.4 | -107.8 | 78.3 | 0 | 0 | 0 | 105.1 | |||||
| 1912 | S | 28.3 | Very low | 32.6 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | 64.1 | 134.1 | 74.7 | 86 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1913 | V | 30 | Very low | 31.4 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 72% | 0.715 | 74% | 0.74 | S | S | * | * | cis | -151.2 | 153.8 | 15.8 | 172.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1914 | P | 32.9 | Very low | 30.2 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | cis | -135.1 | 172.6 | 24.7 | 17.3 | 10.9 | 0 | 0 | 0 | 119.4 | ||||
| 1915 | F | 28.2 | Very low | 29.5 | Very low | 176 Ų | 176 | 143.4 Ų | 143.4 | 77% | 0.772 | 75% | 0.753 | S | S | * | * | trans | 1.3 | 154 | 135.7 | -63.5 | -89.8 | 0 | 0 | 0 | 122.4 | ||||
| 1916 | L | 32 | Very low | 29.4 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | cis | -137.5 | 156.6 | 22.7 | -131.5 | 169.9 | 0 | 0 | 0 | 112.9 | ||||
| 1917 | T | 27 | Very low | 29.2 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | trans | -111.7 | 163.6 | -170 | -25.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1918 | I | 29.7 | Very low | 29.1 | Very low | 143 Ų | 143 | 134 Ų | 134 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | -169.9 | 123.1 | 126.6 | -100.8 | 154.5 | 0 | 0 | 0 | 115.1 | |||||
| 1919 | K | 29 | Very low | 29.3 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 80% | 0.796 | 72% | 0.723 | S | S | * | * | trans | 53.2 | 113.7 | 150.1 | -59.3 | 174 | -172.9 | 172.8 | 0 | 122.3 | ||||
| 1920 | T | 31.7 | Very low | 29.1 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | trans | -85.6 | 172.4 | 139.4 | 60.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1921 | P | 32.4 | Very low | 29.4 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | -155.7 | 137.4 | 89.2 | 38.3 | -17.9 | 0 | 0 | 0 | 118.7 | |||||
| 1922 | R | 28 | Very low | 29.3 | Very low | 204 Ų | 204 | 143.7 Ų | 143.7 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | 53 | 155.5 | 124.4 | -59.9 | -178.8 | 174 | 172.3 | -1.7 | 124.4 | |||||
| 1923 | F | 30.9 | Very low | 29.6 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 76% | 0.763 | 74% | 0.74 | S | S | * | * | trans | 102.8 | 137 | 148.8 | -62.2 | -76.1 | 0 | 0 | 0 | 117.5 | ||||
| 1924 | S | 28.2 | Very low | 29.3 | Very low | 82 Ų | 82 | 143 Ų | 143 | 57% | 0.573 | 74% | 0.74 | S | S | * | * | cis | -179.1 | 151.1 | -33.1 | 48.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1925 | N | 27.4 | Very low | 29 | Very low | 153 Ų | 153 | 148.6 Ų | 148.6 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | 64.3 | 149.8 | 144.9 | -72.1 | -9.9 | 0 | 0 | 0 | 119.5 | ||||
| 1926 | S | 27.5 | Very low | 29.1 | Very low | 87 Ų | 87 | 144.7 Ų | 144.7 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | cis | -173.9 | 176.5 | -16.6 | 56.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1927 | Q | 28.9 | Very low | 28.8 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | trans | 79.7 | 110.3 | 144.3 | -79.7 | -153.3 | 50.7 | 0 | 0 | 121.5 | ||||
| 1928 | N | 27.6 | Very low | 29 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | 65 | 114.3 | 116.2 | -71.5 | -28 | 0 | 0 | 0 | 120.7 | |||||
| 1929 | K | 29.5 | Very low | 29.1 | Very low | 167 Ų | 167 | 144 Ų | 144 | 73% | 0.726 | 73% | 0.732 | S | S | * | * | 167.4 | 137.3 | 91.2 | -98.5 | 132.9 | -171.5 | 170.4 | 0 | 113.5 | |||||
| 1930 | K | 26.8 | Very low | 29.2 | Very low | 194 Ų | 194 | 141.3 Ų | 141.3 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | trans | 21.8 | 124.2 | 134.6 | -51.7 | 175.1 | -179.6 | -177.5 | 0 | 118.7 | ||||
| 1931 | S | 30.9 | Very low | 29.2 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 87% | 0.867 | 73% | 0.729 | S | S | * | * | -176.9 | 143.8 | 104 | 53.3 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1932 | R | 27.6 | Very low | 29.3 | Very low | 236 Ų | 236 | 142.4 Ų | 142.4 | 89% | 0.891 | 73% | 0.731 | S | S | * | * | trans | -78.4 | -179 | 158.1 | -107.1 | 179.4 | -175.5 | 178.4 | 2.1 | 109.8 | ||||
| 1933 | P | 34.7 | Very low | 29.4 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | cis | -142.8 | 177.7 | -14.2 | 33.1 | -10.7 | 0 | 0 | 0 | 116.6 | ||||
| 1934 | S | 25.5 | Very low | 29.6 | Very low | 101 Ų | 101 | 140.1 Ų | 140.1 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | 61.6 | 142.3 | 134.8 | 67.1 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1935 | R | 26.6 | Very low | 29.6 | Very low | 230 Ų | 230 | 141.2 Ų | 141.2 | 87% | 0.868 | 75% | 0.749 | S | S | * | * | trans | 90.1 | 104.9 | 135.5 | -94.1 | -177.1 | 178.7 | -173.2 | -0.8 | 121.3 | ||||
| 1936 | S | 28.3 | Very low | 29.8 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | 86.9 | 138.3 | 113.2 | 67.3 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1937 | M | 27.6 | Very low | 30 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 78% | 0.778 | 76% | 0.755 | S | S | * | * | trans | 82.8 | 118.6 | 145.8 | -78.8 | 169.7 | 58.3 | 0 | 0 | 120.4 | ||||
| 1938 | N | 30.3 | Very low | 30 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 60% | 0.599 | 76% | 0.757 | S | S | * | * | 104 | 144.3 | 121.3 | -88.4 | 41.5 | 0 | 0 | 0 | 122.1 | |||||
| 1939 | D | 32.7 | Very low | 30.1 | Very low | 127 Ų | 127 | 145 Ų | 145 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | trans | 74.1 | 143.5 | 143.7 | -63.6 | -8.3 | 0 | 0 | 0 | 120.3 | ||||
| 1940 | L | 30.7 | Very low | 30.1 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | cis | -170.2 | 173 | -17.8 | -121.6 | 175.1 | 0 | 0 | 0 | 111 | ||||
| 1941 | M | 31.5 | Very low | 30.3 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 80% | 0.803 | 76% | 0.761 | S | S | * | * | trans | 66.5 | 154.5 | 157.4 | -70.1 | -57.8 | 175.1 | 0 | 0 | 118.6 | ||||
| 1942 | A | 33.5 | Very low | 30.2 | Very low | 90 Ų | 90 | 144.4 Ų | 144.4 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | cis | -150.4 | 174.5 | -7.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1943 | K | 31.6 | Very low | 30.5 | Very low | 209 Ų | 209 | 136.8 Ų | 136.8 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | trans | -111.1 | 161.7 | 177.6 | -53.5 | 168.3 | -179.3 | 172.6 | 0 | 111.6 | ||||
| 1944 | S | 33.6 | Very low | 30.3 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | trans | -154 | 166.9 | 146.4 | 63.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1945 | S | 29.3 | Very low | 30.5 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -169 | 177.6 | -164.8 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1946 | L | 30.8 | Very low | 30.5 | Very low | 158 Ų | 158 | 136 Ų | 136 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | trans | 103 | 154.8 | 176.8 | -76.4 | 72.8 | 0 | 0 | 0 | 116.1 | ||||
| 1947 | G | 32.6 | Very low | 30.6 | Very low | 71 Ų | 71 | 137 Ų | 137 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | trans | -161.3 | -76.7 | -172 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1948 | I | 28.5 | Very low | 30.6 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | trans | 76.1 | 131.9 | 166.7 | -61.3 | 175.4 | 0 | 0 | 0 | 118.5 | ||||
| 1949 | R | 30.3 | Very low | 30.5 | Very low | 216 Ų | 216 | 136.2 Ų | 136.2 | 82% | 0.815 | 76% | 0.755 | S | S | * | * | trans | 67.8 | 159 | 160.2 | -78.5 | 174.8 | -179.1 | -178.5 | 0.9 | 119.6 | ||||
| 1950 | Q | 29.7 | Very low | 30.2 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | cis | -170.7 | 150.8 | -38.8 | -125.9 | 177.9 | -12.8 | 0 | 0 | 111.7 | ||||
| 1951 | S | 30.5 | Very low | 29.9 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | 89.5 | 129.7 | 146.3 | 80.5 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1952 | K | 29.3 | Very low | 29.7 | Very low | 205 Ų | 205 | 135.2 Ų | 135.2 | 89% | 0.891 | 76% | 0.757 | S | S | * | * | trans | 57.3 | 138.8 | 139.7 | -73.3 | -176.4 | 176.8 | -174.6 | 0 | 119.7 | ||||
| 1953 | A | 33.2 | Very low | 29.4 | Very low | 77 Ų | 77 | 138.4 Ų | 138.4 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | cis | -155.7 | 175 | -3.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1954 | N | 30.3 | Very low | 29.2 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 73% | 0.733 | 76% | 0.755 | S | S | * | * | trans | 34.5 | 138.1 | 145.2 | -70.1 | 44.1 | 0 | 0 | 0 | 120.4 | ||||
| 1955 | D | 29.6 | Very low | 28.9 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | cis | -160.4 | 175.7 | 30.4 | -131.1 | -47.5 | 0 | 0 | 0 | 114.4 | ||||
| 1956 | M | 27.4 | Very low | 28.8 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | 68.7 | 128.9 | 155.5 | -79.8 | -68.5 | 168.4 | 0 | 0 | 123.9 | ||||
| 1957 | T | 28.8 | Very low | 28.6 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | 72.6 | 118 | 147.9 | 39.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1958 | S | 29.3 | Very low | 28.3 | Very low | 96 Ų | 96 | 143.2 Ų | 143.2 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | trans | 56.5 | 100.8 | 144.1 | 54.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1959 | L | 28.4 | Very low | 28.2 | Very low | 156 Ų | 156 | 142.3 Ų | 142.3 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | 49 | 110.8 | 103.5 | -74.9 | 154.6 | 0 | 0 | 0 | 116.4 | |||||
| 1960 | N | 24.7 | Very low | 28.1 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | 46.2 | 128.3 | 50.1 | -64.1 | -34.2 | 0 | 0 | 0 | 112.7 | |||||
| 1961 | T | 26.3 | Very low | 28 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | cis | -160.1 | 146.9 | 15 | -5.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1962 | L | 25.5 | Very low | 27.9 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | 29.5 | 103.2 | 128.7 | -171.1 | 83.5 | 0 | 0 | 0 | 117.4 | |||||
| 1963 | D | 27.7 | Very low | 27.8 | Very low | 158 Ų | 158 | 140 Ų | 140 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | trans | -138.1 | 140.4 | 135.8 | -148.3 | -16.7 | 0 | 0 | 0 | 110.4 | Q1965 | D1963-Q1965 PolarHBondContact O-N 3.11Š| ||
| 1964 | K | 26.8 | Very low | 27.5 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | trans | -96 | 98 | -173.5 | -83.5 | -170.8 | 173.6 | -175.8 | 0 | 110.2 | T1966 | K1964-T1966 PolarHBondContact O-N 3.12Š| ||
| 1965 | Q | 27.5 | Very low | 27.4 | Very low | 194 Ų | 194 | 142.4 Ų | 142.4 | 91% | 0.907 | 73% | 0.73 | S | S | * | * | trans | -50.7 | 122.6 | 177.3 | -70.1 | 177.9 | -25.9 | 0 | 0 | 111.9 | D1963 G1967 | D1963-Q1965 PolarHBondContact O-N 3.11Å; Q1965-G1967 PolarHBondContact O-N 3.22Å | ||
| 1966 | T | 28.7 | Very low | 27.2 | Very low | 111 Ų | 111 | 142 Ų | 142 | 68% | 0.681 | 73% | 0.732 | S | S | * | * | trans | -75.6 | 110.9 | 175.2 | 49.9 | 0 | 0 | 0 | 0 | 109.8 | K1964 Y1968 | K1964-T1966 PolarHBondContact O-N 3.12Å; T1966-Y1968 WeakPolarHBondContact O-CD2 3.25Å; T1966-Y1968 PolarHBondContact O-N 2.88Å | ||
| 1967 | G | 25.9 | Very low | 27.3 | Very low | 76 Ų | 76 | 141.6 Ų | 141.6 | 78% | 0.784 | 72% | 0.723 | S | S | * | * | trans | -63.8 | 119.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1965 S1969 | Q1965-G1967 PolarHBondContact O-N 3.22Å; G1967-S1969 PolarHBondContact O-N 2.99Å | ||
| 1968 | Y | 27.1 | Very low | 27.2 | Very low | 208 Ų | 208 | 141 Ų | 141 | 82% | 0.816 | 73% | 0.73 | S | S | * | * | trans | -86.8 | 96.4 | 174 | -87.2 | -97.2 | 0 | 0 | 0 | 110.3 | T1966 I1970 | T1966-Y1968 WeakPolarHBondContact O-CD2 3.25Å; T1966-Y1968 PolarHBondContact O-N 2.88Å; Y1968-I1970 PolarHBondContact O-N 3.42Å; Y1968-I1970 VanDerWaalsContact O-N 3.14Å | ||
| 1969 | S | 26.4 | Very low | 27.2 | Very low | 118 Ų | 118 | 141 Ų | 141 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -69.3 | 105 | 165.6 | -63.7 | 0 | 0 | 0 | 0 | 110.1 | G1967 R1971 | G1967-S1969 PolarHBondContact O-N 2.99Å; S1969-R1971 VanDerWaalsContact C-N 3.27Å; S1969-R1971 PolarHBondContact O-N 2.94Å | ||
| 1970 | I | 28.1 | Very low | 27.3 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | trans | -73.5 | 84.2 | 173.1 | -57.7 | 179.6 | 0 | 0 | 0 | 108.7 | Y1968 R1972 | Y1968-I1970 PolarHBondContact O-N 3.42Å; Y1968-I1970 VanDerWaalsContact O-N 3.14Å; I1970-R1972 PolarHBondContact O-N 2.82Å; I1970-R1972 VanDerWaalsContact O-N 3.15Å | ||
| 1971 | R | 26.7 | Very low | 27.5 | Very low | 206 Ų | 206 | 142.7 Ų | 142.7 | 78% | 0.777 | 73% | 0.733 | S | S | * | * | trans | -76.7 | 99.1 | 177.9 | -156.3 | 178.3 | -165.4 | -149.1 | 0.8 | 109.1 | S1969 R1973 | S1969-R1971 VanDerWaalsContact C-N 3.27Å; S1969-R1971 PolarHBondContact O-N 2.94Å; R1971-R1973 PolarHBondContact O-N 3.25Å; R1971-R1973 VanDerWaalsContact O-N 3.11Å | ||
| 1972 | R | 27.8 | Very low | 27.8 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 48% | 0.475 | 72% | 0.719 | S | S | . | * | trans | -52.9 | 115.5 | 172.4 | -71.9 | -179.7 | 176.9 | 146.6 | 0.8 | 108.7 | D1000 I1970 | D1000-R1972 IonicContact OD2-NH2 2.78Å; I1970-R1972 PolarHBondContact O-N 2.82Å; I1970-R1972 VanDerWaalsContact O-N 3.15Å | ||
| 1973 | R | 28 | Very low | 28 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 56% | 0.562 | 72% | 0.723 | S | S | * | * | trans | -84.2 | 118.5 | 179.3 | -77.7 | -174.3 | 173.9 | 122.6 | 0.6 | 110.3 | E27 R1971 | E27-R1973 IonicContact OE1-CZ 3.36Å; E27-R1973 IonicContact OE1-NE 3.16Å; E27-R1973 IonicContact OE1-NH2 2.58Å; E27-R1973 PolarHBondContact OE1-NH2 3.22Å; E27-R1973 IonicContact OE2-CZ 3.7Å; E27-R1973 IonicContact OE2-NE 2.91Å; E27-R1973 PolarHBondContact OE2-NE 2.97Å; E27-R1973 IonicContact OE2-NH2 3.97Å; E27-R1973 PolarHBondContact OE2-NH2 3.26Å; R1971-R1973 PolarHBondContact O-N 3.25Å; R1971-R1973 VanDerWaalsContact O-N 3.11Å | ||
| 1974 | Y | 26.9 | Very low | 28.3 | Very low | 172 Ų | 172 | 138 Ų | 138 | 68% | 0.675 | 70% | 0.703 | S | S | * | * | trans | -85.3 | 121.9 | 166 | -67.8 | -88.2 | 0 | 0 | 0 | 109.1 | ||||
| 1975 | T | 27.9 | Very low | 28.4 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 57% | 0.571 | 70% | 0.702 | S | S | * | * | trans | -116.2 | 97.3 | 177.1 | 56.7 | 0 | 0 | 0 | 0 | 111.4 | Y1977 | T1975-Y1977 PolarHBondContact O-N 2.94Š| ||
| 1976 | T | 25.3 | Very low | 28.5 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 73% | 0.73 | 70% | 0.703 | S | S | * | * | trans | -72.7 | 116.4 | 171.4 | 51.9 | 0 | 0 | 0 | 0 | 111.1 | L25 | L25-T1976 WeakPolarHBondContact CD1-O 3Š| ||
| 1977 | Y | 28.8 | Very low | 28.6 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 57% | 0.565 | 70% | 0.696 | S | S | * | * | trans | -129.9 | 144.2 | 159.7 | -97.2 | -63.4 | 0 | 0 | 0 | 109.4 | L25 T1975 | L25-Y1977 HydrophobicContact CD1-CD2 3.76Å; L25-Y1977 HydrophobicContact CD1-CE1 4.16Å; L25-Y1977 HydrophobicContact CD1-CE2 3.35Å; L25-Y1977 HydrophobicContact CD1-CG 4.31Å; L25-Y1977 HydrophobicContact CD2-CE1 4.12Å; L25-Y1977 HydrophobicContact CG-CE2 4.21Å; T1975-Y1977 PolarHBondContact O-N 2.94Å | ||
| 1978 | A | 26.6 | Very low | 28.9 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 86% | 0.86 | 68% | 0.684 | S | S | * | * | trans | -83.4 | 128.2 | -166 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1979 | A | 30 | Very low | 29.1 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 81% | 0.81 | 69% | 0.685 | S | S | * | * | trans | -130.6 | 139.9 | 151.7 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 1980 | N | 31 | Very low | 29.4 | Very low | 151 Ų | 151 | 131.5 Ų | 131.5 | 81% | 0.807 | 68% | 0.675 | S | S | * | * | trans | -80.2 | 138.4 | -177.5 | -83.6 | -16.9 | 0 | 0 | 0 | 111.5 | ||||
| 1981 | R | 29.4 | Very low | 29.4 | Very low | 176 Ų | 176 | 129.1 Ų | 129.1 | 66% | 0.664 | 66% | 0.663 | S | S | * | * | trans | 48.4 | 82.5 | 150.6 | -62.8 | -179.4 | 175.4 | 167.6 | -3.1 | 118 | ||||
| 1982 | F | 32.9 | Very low | 29.6 | Very low | 95 Ų | 95 | 126.6 Ų | 126.6 | 42% | 0.417 | 67% | 0.665 | S | S | . | * | trans | -139.9 | 116.1 | 130.9 | -81.3 | -73.7 | 0 | 0 | 0 | 108.5 | A921 P1136 | A921-F1982 HydrophobicContact CB-CD2 4.15Å; A921-F1982 HydrophobicContact CB-CE2 3.92Å; A921-F1982 HydrophobicContact CB-CZ 4.19Å; P1136-F1982 HydrophobicContact CB-CZ 3.98Å | ||
| 1983 | N | 29.3 | Very low | 29.5 | Very low | 156 Ų | 156 | 125.7 Ų | 125.7 | 83% | 0.834 | 66% | 0.661 | S | S | * | * | trans | -84.4 | 121.8 | 178.8 | -85 | -10.2 | 0 | 0 | 0 | 110.2 | ||||
| 1984 | V | 32.6 | Very low | 29.4 | Very low | 70 Ų | 70 | 125 Ų | 125 | 42% | 0.424 | 68% | 0.676 | S | S | . | * | trans | -136.2 | 97.4 | 171.2 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | L1131 L1134 | L1131-V1984 HydrophobicContact CD1-CG1 4.05Å; L1131-V1984 HydrophobicContact CD2-CG1 3.7Å; L1131-V1984 HydrophobicContact CG-CG1 4.49Å; L1134-V1984 HydrophobicContact CD1-CG2 3.88Å | ||
| 1985 | G | 29.2 | Very low | 29.4 | Very low | 74 Ų | 74 | 123 Ų | 123 | 76% | 0.763 | 68% | 0.677 | S | S | * | * | trans | 72.1 | 140.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1986 | L | 29.9 | Very low | 29.4 | Very low | 175 Ų | 175 | 122.2 Ų | 122.2 | 92% | 0.916 | 68% | 0.679 | S | S | * | * | trans | -75.3 | 136.4 | 169.2 | -72.3 | 94.9 | 0 | 0 | 0 | 110.3 | ||||
| 1987 | R | 30.3 | Very low | 29.6 | Very low | 144 Ų | 144 | 126 Ų | 126 | 54% | 0.543 | 69% | 0.685 | S | S | . | * | trans | -121.2 | 120 | 158.4 | -160.6 | 177.1 | -168.5 | -171.1 | 0.4 | 106.5 | ||||
| 1988 | P | 33.7 | Very low | 29.5 | Very low | 81 Ų | 81 | 127.1 Ų | 127.1 | 53% | 0.526 | 70% | 0.696 | S | S | . | * | trans | -71.1 | 145.5 | -167.5 | 26.8 | -33.8 | 0 | 0 | 0 | 112.8 | E1092 | E1092-P1988 HydrophobicContact CG-CG 4.4Å; E1092-P1988 WeakPolarHBondContact OE1-CD 3.47Å | ||
| 1989 | E | 31 | Very low | 29.5 | Very low | 179 Ų | 179 | 129.4 Ų | 129.4 | 84% | 0.836 | 69% | 0.694 | S | S | * | * | trans | -65.6 | 144.3 | 169.2 | -75.7 | -164 | 133.2 | 0 | 0 | 111.5 | L1991 | E1989-L1991 PolarHBondContact O-N 2.86Š| ||
| 1990 | P | 30.9 | Very low | 29.3 | Very low | 93 Ų | 93 | 132 Ų | 132 | 60% | 0.604 | 69% | 0.689 | S | S | * | * | trans | -66.4 | 105.3 | 170.9 | 28.1 | -33.4 | 0 | 0 | 0 | 110 | N1992 | P1990-N1992 PolarHBondContact O-N 3.21Š| ||
| 1991 | L | 29.1 | Very low | 29.2 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 56% | 0.56 | 69% | 0.691 | S | S | * | * | trans | -73.3 | 65.6 | -170.3 | -145.1 | 177.5 | 0 | 0 | 0 | 112.5 | E1989 R1993 | E1989-L1991 PolarHBondContact O-N 2.86Å; L1991-R1993 HydrophobicContact CD2-CB 4.09Å; L1991-R1993 HydrophobicContact CD2-CG 3.63Å; L1991-R1993 PolarHBondContact O-N 3.27Å | ||
| 1992 | N | 30.3 | Very low | 28.9 | Very low | 153 Ų | 153 | 134.3 Ų | 134.3 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | -72.1 | 57.5 | -179.3 | -93.8 | -50.2 | 0 | 0 | 0 | 113.2 | P1990 | P1990-N1992 PolarHBondContact O-N 3.21Š| ||
| 1993 | R | 25.9 | Very low | 28.7 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 40% | 0.4 | 73% | 0.727 | S | S | . | * | trans | -82.2 | 122.9 | 162.6 | -79.6 | -179.4 | 179 | 172.6 | 4.6 | 109.3 | G1722 L1991 L1995 | G1722-R1993 PolarHBondContact O-NH2 3.47Å; L1991-R1993 HydrophobicContact CD2-CB 4.09Å; L1991-R1993 HydrophobicContact CD2-CG 3.63Å; L1991-R1993 PolarHBondContact O-N 3.27Å; R1993-L1995 HydrophobicContact CB-CB 4.27Å; R1993-L1995 PolarHBondContact O-N 3.07Å | ||
| 1994 | P | 26 | Very low | 28.7 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 88% | 0.883 | 72% | 0.722 | S | S | * | * | trans | -74.2 | 74.5 | 167.1 | 31.9 | -34.3 | 0 | 0 | 0 | 109.8 | ||||
| 1995 | L | 26.1 | Very low | 28.5 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 68% | 0.681 | 74% | 0.738 | S | S | * | * | trans | -132 | 22.2 | -176.1 | -109.2 | 171.5 | 0 | 0 | 0 | 114.6 | R1993 | R1993-L1995 HydrophobicContact CB-CB 4.27Å; R1993-L1995 PolarHBondContact O-N 3.07Å | ||
| 1996 | A | 28.4 | Very low | 28.5 | Very low | 75 Ų | 75 | 142.7 Ų | 142.7 | 62% | 0.62 | 74% | 0.737 | S | S | * | * | trans | -158.1 | 91.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E1998 | A1996-E1998 HydrophobicContact CB-CG 4.23Š| ||
| 1997 | K | 29.7 | Very low | 28.4 | Very low | 198 Ų | 198 | 140.7 Ų | 140.7 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | -98.5 | 97.7 | 129.3 | -85.7 | -158.3 | 170.8 | -166.1 | 0 | 105.8 | |||||
| 1998 | E | 27.1 | Very low | 28.2 | Very low | 168 Ų | 168 | 140.5 Ų | 140.5 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | trans | -63.8 | -179.5 | 170.5 | -72.4 | 175.8 | 111.4 | 0 | 0 | 110.7 | A1996 Q2000 | A1996-E1998 HydrophobicContact CB-CG 4.23Å; E1998-Q2000 PolarHBondContact O-N 3.17Å; E1998-Q2000 VanDerWaalsContact O-N 3.16Å | ||
| 1999 | N | 25.7 | Very low | 27.8 | Very low | 153 Ų | 153 | 144.7 Ų | 144.7 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -53.4 | 123.4 | 172.8 | -48.3 | -55.1 | 0 | 0 | 0 | 109.5 | ||||
| 2000 | Q | 26.9 | Very low | 27.6 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | -110.8 | 126.1 | 159.6 | -98.1 | -170.4 | -25.3 | 0 | 0 | 107.5 | E1998 | E1998-Q2000 PolarHBondContact O-N 3.17Å; E1998-Q2000 VanDerWaalsContact O-N 3.16Å | ||
| 2001 | F | 27.7 | Very low | 27.3 | Very low | 196 Ų | 196 | 146.2 Ų | 146.2 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | 66.8 | 96.4 | 172 | -72.7 | -84.5 | 0 | 0 | 0 | 115.3 | ||||
| 2002 | T | 24.8 | Very low | 27.2 | Very low | 181 Ų | 181 | 149.7 Ų | 149.7 | 100% | 1.11 | 78% | 0.777 | S | S | * | * | cis | -64.8 | 0 | -2.3 | 56.1 | 0 | 0 | 0 | 0 | 112 |
Retrieved 2,002 of 2,002 residues in 542.4 ms
(Link to these results)