| 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 | 79 | Confident | 89.9 | Confident | 15 Ų | 15 | 35.7 Ų | 35.7 | 7% | 0.074 | 16% | 0.16 | C | C | . | . | 0 | -59.5 | 0 | -179.7 | -168 | -172.5 | 0 | 0 | 108 | R30 I64 D65 D161 I162 L192 E227 | M1-R30 HydrophobicContact CB-CG 3.83Å; M1-R30 HydrophobicContact CE-CG 4.49Å; M1-R30 HydrophobicContact CG-CG 3.89Å; M1-R30 HydrophobicContact SD-CB 4.2Å; M1-R30 HydrophobicContact SD-CG 3.59Å; M1-R30 VanDerWaalsContact SD-CG 3.59Å; M1-I64 CarbonylContact O-C 3.56Å; M1-I64 WeakPolarHBondContact O-CA 3.24Å; M1-D65 PolarHBondContact O-N 3.18Å; M1-D161 HydrophobicContact CE-CB 3.62Å; M1-D161 VanDerWaalsContact CE-O 3.26Å; M1-D161 WeakPolarHBondContact CE-O 3.28Å; M1-I162 HydrophobicContact CE-CD1 4.33Å; M1-I162 HydrophobicContact CE-CG1 3.56Å; M1-L192 HydrophobicContact CE-CB 3.83Å; M1-L192 HydrophobicContact CE-CD2 4.38Å; M1-L192 HydrophobicContact SD-CB 3.65Å; M1-L192 HydrophobicContact SD-CD2 3.66Å; M1-L192 HydrophobicContact SD-CG 4.3Å; M1-E227 VanDerWaalsContact N-CD 3.26Å; M1-E227 PolarHBondContact N-OE1 2.62Å | |||
| 2 | L | 88.5 | Confident | 89.3 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 130.8 | 172.8 | 174.8 | 71.9 | 0 | 0 | 0 | 108.5 | A27 F28 I51 M62 V63 I64 I162 I194 | L2-A27 WeakPolarHBondContact O-CA 3.39Å; L2-F28 HydrophobicContact CB-CB 4.35Å; L2-F28 HydrophobicContact CB-CD2 4.19Å; L2-F28 HydrophobicContact CD2-CD2 3.61Å; L2-F28 HydrophobicContact CD2-CE2 3.95Å; L2-F28 HydrophobicContact CD2-CG 4.35Å; L2-F28 HydrophobicContact CG-CD2 3.92Å; L2-F28 HydrophobicContact CG-CE2 4.49Å; L2-F28 PolarHBondContact O-N 2.82Å; L2-I51 HydrophobicContact CD2-CB 4.43Å; L2-I51 HydrophobicContact CD2-CG1 4.29Å; L2-I51 HydrophobicContact CD2-CG2 3.4Å; L2-I51 VanDerWaalsContact CD2-CG2 3.4Å; L2-M62 HydrophobicContact CD1-CG 3.82Å; L2-M62 HydrophobicContact CD1-SD 3.8Å; L2-V63 WeakPolarHBondContact CA-O 3.12Å; L2-I64 HydrophobicContact CD1-CG1 3.99Å; L2-I162 HydrophobicContact CB-CD1 4.24Å; L2-I162 HydrophobicContact CD2-CD1 4.23Å; L2-I194 HydrophobicContact CD2-CD1 4.05Å |
| 3 | E | 91 | Very high | 88.5 | Confident | 39 Ų | 39 | 48 Ų | 48 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 126.4 | 178.6 | -177.6 | -174.4 | -164.8 | 0 | 0 | 109.9 | K5 A27 M62 V63 | E3-K5 HydrophobicContact CG-CG 4.24Å; E3-K5 WeakPolarHBondContact OE1-CE 3.48Å; E3-K5 IonicContact OE1-NZ 3.12Å; E3-K5 PolarHBondContact OE1-NZ 3.01Å; E3-K5 WeakPolarHBondContact OE2-CE 3.44Å; E3-K5 IonicContact OE2-NZ 2.76Å; E3-K5 PolarHBondContact OE2-NZ 3.22Å; E3-A27 HydrophobicContact CB-CB 4.27Å; E3-A27 HydrophobicContact CG-CB 4.08Å; E3-M62 CarbonylContact O-C 3.54Å; E3-M62 WeakPolarHBondContact O-CA 3.36Å; E3-V63 HydrophobicContact CB-CB 4.28Å; E3-V63 PolarHBondContact N-O 2.81Å; E3-V63 PolarHBondContact O-N 2.94Å |
| 4 | L | 91.9 | Very high | 87.8 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 131 | 172.8 | -55.2 | -173.9 | 0 | 0 | 0 | 108.9 | I7 V24 S25 V26 M47 I51 M62 | L4-I7 HydrophobicContact CB-CG1 3.89Å; L4-I7 HydrophobicContact CD2-CG1 4.27Å; L4-V24 HydrophobicContact CD1-CG1 4.47Å; L4-S25 CarbonylContact O-C 3.48Å; L4-S25 VanDerWaalsContact O-CA 3.23Å; L4-S25 WeakPolarHBondContact O-CA 3.38Å; L4-V26 HydrophobicContact CB-CG1 4.1Å; L4-V26 HydrophobicContact CD1-CG1 3.77Å; L4-V26 HydrophobicContact CG-CG1 4.06Å; L4-V26 PolarHBondContact N-O 3.48Å; L4-V26 PolarHBondContact O-N 2.87Å; L4-M47 HydrophobicContact CD1-CE 4.01Å; L4-I51 HydrophobicContact CD1-CD1 4.09Å; L4-I51 HydrophobicContact CD1-CG1 3.9Å; L4-I51 HydrophobicContact CD2-CG1 4.22Å; L4-M62 HydrophobicContact CD2-CB 3.95Å; L4-M62 HydrophobicContact CD2-CG 3.6Å; L4-M62 HydrophobicContact CD2-SD 3.53Å; L4-M62 VanDerWaalsContact CD2-SD 3.53Å |
| 5 | K | 91.1 | Very high | 87.5 | Confident | 86 Ų | 86 | 58.3 Ų | 58.3 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 111.5 | 179.4 | -61.5 | -178.9 | 179.7 | 173.3 | 0 | 110.6 | E3 I7 G60 D61 V63 | E3-K5 HydrophobicContact CG-CG 4.24Å; E3-K5 WeakPolarHBondContact OE1-CE 3.48Å; E3-K5 IonicContact OE1-NZ 3.12Å; E3-K5 PolarHBondContact OE1-NZ 3.01Å; E3-K5 WeakPolarHBondContact OE2-CE 3.44Å; E3-K5 IonicContact OE2-NZ 2.76Å; E3-K5 PolarHBondContact OE2-NZ 3.22Å; K5-I7 PolarHBondContact O-N 3.03Å; K5-I7 VanDerWaalsContact O-N 3.15Å; K5-G60 CarbonylContact O-C 3.54Å; K5-G60 WeakPolarHBondContact O-CA 2.75Å; K5-D61 HydrophobicContact CB-CB 4.25Å; K5-D61 WeakPolarHBondContact CB-O 3.26Å; K5-D61 PolarHBondContact N-O 3.29Å; K5-D61 PolarHBondContact O-N 2.82Å; K5-V63 HydrophobicContact CD-CG2 4.41Å |
| 6 | D | 92.2 | Very high | 87.3 | Confident | 74 Ų | 74 | 60.1 Ų | 60.1 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 45.5 | 43.7 | 178 | -167.9 | 36.4 | 0 | 0 | 0 | 113.1 | K8 G23 V24 S25 G60 | D6-K8 VanDerWaalsContact CG-NZ 3.32Å; D6-K8 PolarHBondContact O-N 3.17Å; D6-K8 VanDerWaalsContact OD1-CE 3.25Å; D6-K8 WeakPolarHBondContact OD1-CE 3.48Å; D6-K8 IonicContact OD1-NZ 3.09Å; D6-K8 PolarHBondContact OD1-NZ 3.39Å; D6-K8 VanDerWaalsContact OD1-NZ 3.12Å; D6-K8 IonicContact OD2-NZ 3.84Å; D6-K8 PolarHBondContact OD2-NZ 3.16Å; D6-G23 WeakPolarHBondContact OD1-CA 3.45Å; D6-V24 PolarHBondContact N-O 3.13Å; D6-S25 PolarHBondContact N-OG 2.87Å; D6-G60 WeakPolarHBondContact O-CA 3.24Å |
| 7 | I | 92.8 | Very high | 87.2 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 126.1 | -176.4 | -68.1 | -68.2 | 0 | 0 | 0 | 109.8 | L4 K5 L21 G23 V24 V50 Y57 S59 M62 | L4-I7 HydrophobicContact CB-CG1 3.89Å; L4-I7 HydrophobicContact CD2-CG1 4.27Å; K5-I7 PolarHBondContact O-N 3.03Å; K5-I7 VanDerWaalsContact O-N 3.15Å; I7-L21 HydrophobicContact CG2-CD1 3.81Å; I7-G23 WeakPolarHBondContact O-CA 3.3Å; I7-G23 PolarHBondContact O-N 3.37Å; I7-G23 VanDerWaalsContact O-N 3.07Å; I7-V24 PolarHBondContact N-O 3.47Å; I7-V24 PolarHBondContact O-N 3.25Å; I7-V50 HydrophobicContact CG2-CG1 4.11Å; I7-Y57 HydrophobicContact CD1-CD1 3.99Å; I7-Y57 HydrophobicContact CD1-CD2 3.94Å; I7-Y57 HydrophobicContact CD1-CE1 4.42Å; I7-Y57 HydrophobicContact CD1-CE2 4.37Å; I7-Y57 HydrophobicContact CD1-CG 3.73Å; I7-S59 WeakPolarHBondContact CA-O 3.39Å; I7-M62 HydrophobicContact CD1-CB 4.39Å |
| 8 | K | 93.1 | Very high | 87.1 | Confident | 47 Ų | 47 | 62 Ų | 62 | 20% | 0.204 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 137.8 | 175 | -66.7 | 163.9 | -174.9 | 146.1 | 0 | 110.6 | D6 Y10 L21 G23 D58 S59 | D6-K8 VanDerWaalsContact CG-NZ 3.32Å; D6-K8 PolarHBondContact O-N 3.17Å; D6-K8 VanDerWaalsContact OD1-CE 3.25Å; D6-K8 WeakPolarHBondContact OD1-CE 3.48Å; D6-K8 IonicContact OD1-NZ 3.09Å; D6-K8 PolarHBondContact OD1-NZ 3.39Å; D6-K8 VanDerWaalsContact OD1-NZ 3.12Å; D6-K8 IonicContact OD2-NZ 3.84Å; D6-K8 PolarHBondContact OD2-NZ 3.16Å; K8-Y10 HydrophobicContact CB-CE1 4.19Å; K8-L21 CarbonylContact C-O 3.48Å; K8-L21 VanDerWaalsContact CA-O 3.25Å; K8-L21 WeakPolarHBondContact CA-O 3.47Å; K8-G23 VanDerWaalsContact CG-N 3.32Å; K8-D58 PolarHBondContact O-N 2.82Å; K8-S59 WeakPolarHBondContact CB-OG 3.38Å; K8-S59 PolarHBondContact N-O 2.67Å; K8-S59 PolarHBondContact O-N 2.86Å |
| 9 | K | 91.4 | Very high | 87.2 | Confident | 19 Ų | 19 | 64.8 Ų | 64.8 | 8% | 0.083 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 115.4 | 176.5 | 178.6 | 55.1 | 166.9 | -159.6 | 0 | 110.1 | Y11 A20 L21 T46 D55 N56 D58 | K9-Y11 HydrophobicContact CG-CE2 4.42Å; K9-A20 PolarHBondContact O-N 2.79Å; K9-L21 HydrophobicContact CB-CB 4.05Å; K9-L21 HydrophobicContact CB-CD1 3.94Å; K9-L21 HydrophobicContact CB-CG 4.07Å; K9-L21 PolarHBondContact N-O 3.4Å; K9-L21 PolarHBondContact O-N 2.82Å; K9-T46 HydrophobicContact CB-CG2 4.39Å; K9-T46 HydrophobicContact CG-CG2 3.9Å; K9-D55 VanDerWaalsContact CE-CG 3.44Å; K9-D55 WeakPolarHBondContact CE-OD1 3.37Å; K9-D55 WeakPolarHBondContact CE-OD2 3.39Å; K9-D55 IonicContact NZ-OD1 3.89Å; K9-D55 PolarHBondContact NZ-OD1 3.38Å; K9-D55 IonicContact NZ-OD2 3.78Å; K9-N56 VanDerWaalsContact CD-O 3.27Å; K9-N56 WeakPolarHBondContact CD-O 2.92Å; K9-N56 VanDerWaalsContact CE-O 3.27Å; K9-N56 WeakPolarHBondContact CE-O 3.49Å; K9-N56 PolarHBondContact NZ-O 3.02Å; K9-D58 WeakPolarHBondContact CA-OD2 3.42Å; K9-D58 IonicContact NZ-OD1 2.81Å |
| 10 | Y | 91.1 | Very high | 87.3 | Confident | 59 Ų | 59 | 62 Ų | 62 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124.9 | -177.9 | -54.1 | -25.3 | 0 | 0 | 0 | 110 | K8 H12 T17 T18 K19 L21 D22 D58 | K8-Y10 HydrophobicContact CB-CE1 4.19Å; Y10-H12 PolarHBondContact O-ND1 3.45Å; Y10-T17 HydrophobicContact CG-CG2 4.44Å; Y10-T18 WeakPolarHBondContact CA-O 3.28Å; Y10-K19 HydrophobicContact CD1-CB 3.93Å; Y10-K19 HydrophobicContact CD1-CG 3.83Å; Y10-K19 HydrophobicContact CE1-CB 3.96Å; Y10-K19 HydrophobicContact CE1-CD 4.24Å; Y10-K19 HydrophobicContact CE1-CG 3.81Å; Y10-K19 HydrophobicContact CG-CG 4.48Å; Y10-L21 VanDerWaalsContact CE1-O 3.26Å; Y10-L21 WeakPolarHBondContact CE1-O 3.37Å; Y10-D22 HydrophobicContact CE1-CB 4.49Å; Y10-D22 PolarHBondContact OH-OD1 3.33Å; Y10-D58 PolarHBondContact N-OD2 3.01Å |
| 11 | Y | 86.6 | Confident | 87.4 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 19% | 0.188 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 132.3 | 172.2 | -63.6 | -73.2 | 0 | 0 | 0 | 109.5 | K9 T17 T18 A20 T46 D55 | K9-Y11 HydrophobicContact CG-CE2 4.42Å; Y11-T17 CarbonylContact O-C 3.48Å; Y11-T17 WeakPolarHBondContact O-CA 3.3Å; Y11-T18 PolarHBondContact N-O 3.41Å; Y11-T18 PolarHBondContact O-N 3.19Å; Y11-A20 HydrophobicContact CD2-CB 3.78Å; Y11-A20 HydrophobicContact CE2-CB 3.66Å; Y11-T46 HydrophobicContact CE2-CG2 3.8Å; Y11-T46 WeakPolarHBondContact OH-CG2 3.46Å; Y11-D55 VanDerWaalsContact CE1-OD2 3.31Å; Y11-D55 WeakPolarHBondContact CE1-OD2 3.48Å; Y11-D55 VanDerWaalsContact CZ-OD2 3.22Å; Y11-D55 PolarHBondContact OH-OD2 3.03Å |
| 12 | H | 83.4 | Confident | 88 | Confident | 132 Ų | 132 | 59.5 Ų | 59.5 | 61% | 0.611 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 113.4 | 176.9 | -60 | 81.7 | 0 | 0 | 0 | 108 | Y10 T17 | Y10-H12 PolarHBondContact O-ND1 3.45Å; H12-T17 PolarHBondContact CD2-OG1 2.96Å; H12-T17 VanDerWaalsContact CD2-OG1 3.27Å |
| 13 | V | 78.4 | Confident | 88.1 | Confident | 99 Ų | 99 | 60.7 Ų | 60.7 | 60% | 0.6 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 105.1 | 176 | -176.8 | 0 | 0 | 0 | 0 | 107.7 | D15 T16 | V13-D15 PolarHBondContact O-N 3Å; V13-T16 PolarHBondContact N-O 3.32Å; V13-T16 PolarHBondContact O-N 2.89Å; V13-T16 PolarHBondContact O-OG1 3.32Å |
| 14 | G | 79.2 | Confident | 88.1 | Confident | 77 Ų | 77 | 59 Ų | 59 | 79% | 0.794 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | -124.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 15 | D | 83 | Confident | 88 | Confident | 174 Ų | 174 | 62.1 Ų | 62.1 | 93% | 0.93 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 0.5 | 177.6 | -61.6 | -35.9 | 0 | 0 | 0 | 113.6 | V13 | V13-D15 PolarHBondContact O-N 3Š|
| 16 | T | 84.3 | Confident | 88.1 | Confident | 86 Ų | 86 | 58.5 Ų | 58.5 | 53% | 0.528 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 126.2 | -178.8 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | V13 | V13-T16 PolarHBondContact N-O 3.32Å; V13-T16 PolarHBondContact O-N 2.89Å; V13-T16 PolarHBondContact O-OG1 3.32Å |
| 17 | T | 85.5 | Confident | 88 | Confident | 75 Ų | 75 | 55.2 Ų | 55.2 | 46% | 0.46 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 110 | 173.4 | -56.3 | 0 | 0 | 0 | 0 | 109.7 | Y10 Y11 H12 | Y10-T17 HydrophobicContact CG-CG2 4.44Å; Y11-T17 CarbonylContact O-C 3.48Å; Y11-T17 WeakPolarHBondContact O-CA 3.3Å; H12-T17 PolarHBondContact CD2-OG1 2.96Å; H12-T17 VanDerWaalsContact CD2-OG1 3.27Å |
| 18 | T | 86.3 | Confident | 88 | Confident | 80 Ų | 80 | 55.1 Ų | 55.1 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 115.6 | 174.5 | -53.2 | 0 | 0 | 0 | 0 | 109.9 | Y10 Y11 A20 | Y10-T18 WeakPolarHBondContact CA-O 3.28Å; Y11-T18 PolarHBondContact N-O 3.41Å; Y11-T18 PolarHBondContact O-N 3.19Å; T18-A20 PolarHBondContact O-N 2.96Å; T18-A20 VanDerWaalsContact O-N 3.12Å |
| 19 | K | 88.7 | Confident | 87.8 | Confident | 116 Ų | 116 | 56.5 Ų | 56.5 | 50% | 0.504 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 88 | 176.2 | -62.2 | -174.9 | -178.7 | -177.1 | 0 | 110.9 | Y10 | Y10-K19 HydrophobicContact CD1-CB 3.93Å; Y10-K19 HydrophobicContact CD1-CG 3.83Å; Y10-K19 HydrophobicContact CE1-CB 3.96Å; Y10-K19 HydrophobicContact CE1-CD 4.24Å; Y10-K19 HydrophobicContact CE1-CG 3.81Å; Y10-K19 HydrophobicContact CG-CG 4.48Å |
| 20 | A | 88 | Confident | 87.6 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -34.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | K9 Y11 T18 G43 T46 G216 | K9-A20 PolarHBondContact O-N 2.79Å; Y11-A20 HydrophobicContact CD2-CB 3.78Å; Y11-A20 HydrophobicContact CE2-CB 3.66Å; T18-A20 PolarHBondContact O-N 2.96Å; T18-A20 VanDerWaalsContact O-N 3.12Å; A20-G43 WeakPolarHBondContact O-CA 3.42Å; A20-T46 HydrophobicContact CB-CG2 3.71Å; A20-G216 VanDerWaalsContact O-CA 3.28Å; A20-G216 WeakPolarHBondContact O-CA 3.31Å |
| 21 | L | 90.4 | Very high | 87.5 | Confident | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 127.1 | 168.9 | -53.6 | 173.7 | 0 | 0 | 0 | 108 | I7 K8 K9 Y10 V24 T46 M47 V50 F213 | I7-L21 HydrophobicContact CG2-CD1 3.81Å; K8-L21 CarbonylContact C-O 3.48Å; K8-L21 VanDerWaalsContact CA-O 3.25Å; K8-L21 WeakPolarHBondContact CA-O 3.47Å; K9-L21 HydrophobicContact CB-CB 4.05Å; K9-L21 HydrophobicContact CB-CD1 3.94Å; K9-L21 HydrophobicContact CB-CG 4.07Å; K9-L21 PolarHBondContact N-O 3.4Å; K9-L21 PolarHBondContact O-N 2.82Å; Y10-L21 VanDerWaalsContact CE1-O 3.26Å; Y10-L21 WeakPolarHBondContact CE1-O 3.37Å; L21-V24 HydrophobicContact CB-CG2 4.17Å; L21-V24 HydrophobicContact CD2-CG2 4.15Å; L21-T46 HydrophobicContact CD1-CG2 4.25Å; L21-T46 HydrophobicContact CG-CG2 4.13Å; L21-M47 HydrophobicContact CD2-CB 3.67Å; L21-M47 HydrophobicContact CD2-CG 4.33Å; L21-V50 HydrophobicContact CD1-CB 4.2Å; L21-V50 HydrophobicContact CD1-CG2 3.82Å; L21-F213 HydrophobicContact CD2-CE1 4.2Å; L21-F213 HydrophobicContact CD2-CZ 3.67Å |
| 22 | D | 91.6 | Very high | 87.8 | Confident | 24 Ų | 24 | 64.1 Ų | 64.1 | 13% | 0.128 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 64.6 | -173.3 | -171.3 | 31 | 0 | 0 | 0 | 111.4 | Y10 G216 R217 | Y10-D22 HydrophobicContact CE1-CB 4.49Å; Y10-D22 PolarHBondContact OH-OD1 3.33Å; D22-G216 PolarHBondContact N-O 3Å; D22-R217 HydrophobicContact CB-CG 4.21Å; D22-R217 IonicContact OD2-CZ 3.31Å; D22-R217 VanDerWaalsContact OD2-CZ 3.31Å; D22-R217 IonicContact OD2-NE 3.86Å; D22-R217 PolarHBondContact OD2-NE 3.47Å; D22-R217 VanDerWaalsContact OD2-NE 3.09Å; D22-R217 IonicContact OD2-NH2 2.71Å; D22-R217 PolarHBondContact OD2-NH2 3.48Å |
| 23 | G | 89.8 | Confident | 88.4 | Confident | 24 Ų | 24 | 57.9 Ų | 57.9 | 25% | 0.247 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 91.7 | 41.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | D6 I7 K8 S25 | D6-G23 WeakPolarHBondContact OD1-CA 3.45Å; I7-G23 WeakPolarHBondContact O-CA 3.3Å; I7-G23 PolarHBondContact O-N 3.37Å; I7-G23 VanDerWaalsContact O-N 3.07Å; K8-G23 VanDerWaalsContact CG-N 3.32Å; G23-S25 PolarHBondContact O-N 3.07Å |
| 24 | V | 90.5 | Very high | 89.1 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 123 | -176.6 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | L4 D6 I7 L21 V26 M47 F213 G216 I218 | L4-V24 HydrophobicContact CD1-CG1 4.47Å; D6-V24 PolarHBondContact N-O 3.13Å; I7-V24 PolarHBondContact N-O 3.47Å; I7-V24 PolarHBondContact O-N 3.25Å; L21-V24 HydrophobicContact CB-CG2 4.17Å; L21-V24 HydrophobicContact CD2-CG2 4.15Å; V24-V26 HydrophobicContact CG1-CG1 4.35Å; V24-M47 HydrophobicContact CG1-CE 4.16Å; V24-M47 HydrophobicContact CG1-SD 4.3Å; V24-F213 HydrophobicContact CG1-CE2 4.27Å; V24-F213 HydrophobicContact CG2-CE2 3.81Å; V24-F213 HydrophobicContact CG2-CZ 3.78Å; V24-G216 WeakPolarHBondContact CG2-O 3.31Å; V24-I218 HydrophobicContact CG1-CD1 3.64Å; V24-I218 HydrophobicContact CG1-CG1 4Å |
| 25 | S | 91.5 | Very high | 89.8 | Confident | 71 Ų | 71 | 49.5 Ų | 49.5 | 50% | 0.497 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 120.9 | 173.5 | -57 | 0 | 0 | 0 | 0 | 110.5 | L4 D6 G23 | L4-S25 CarbonylContact O-C 3.48Å; L4-S25 VanDerWaalsContact O-CA 3.23Å; L4-S25 WeakPolarHBondContact O-CA 3.38Å; D6-S25 PolarHBondContact N-OG 2.87Å; G23-S25 PolarHBondContact O-N 3.07Å |
| 26 | V | 91.9 | Very high | 90.3 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 143.1 | -179.5 | 59.1 | 0 | 0 | 0 | 0 | 111 | L4 V24 F28 M47 I211 I218 | L4-V26 HydrophobicContact CB-CG1 4.1Å; L4-V26 HydrophobicContact CD1-CG1 3.77Å; L4-V26 HydrophobicContact CG-CG1 4.06Å; L4-V26 PolarHBondContact N-O 3.48Å; L4-V26 PolarHBondContact O-N 2.87Å; V24-V26 HydrophobicContact CG1-CG1 4.35Å; V26-F28 HydrophobicContact CG1-CE2 3.66Å; V26-F28 HydrophobicContact CG1-CZ 3.86Å; V26-F28 HydrophobicContact CG2-CE2 4.29Å; V26-F28 HydrophobicContact CG2-CZ 4.19Å; V26-M47 HydrophobicContact CG1-CE 3.7Å; V26-I211 HydrophobicContact CG2-CD1 3.87Å; V26-I218 HydrophobicContact CB-CD1 3.72Å; V26-I218 HydrophobicContact CG1-CD1 4.03Å; V26-I218 HydrophobicContact CG2-CD1 4.41Å |
| 27 | A | 90.8 | Very high | 90.7 | Very high | 4 Ų | 4 | 38 Ų | 38 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 145.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L2 E3 R209 H225 E227 | L2-A27 WeakPolarHBondContact O-CA 3.39Å; E3-A27 HydrophobicContact CB-CB 4.27Å; E3-A27 HydrophobicContact CG-CB 4.08Å; A27-R209 PolarHBondContact O-NH1 2.95Å; A27-R209 PolarHBondContact O-NH2 2.78Å; A27-H225 WeakPolarHBondContact CB-O 3.37Å; A27-E227 HydrophobicContact CB-CB 4.12Å; A27-E227 HydrophobicContact CB-CG 3.8Å |
| 28 | F | 91.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 140.6 | -177.9 | -60.4 | -91 | 0 | 0 | 0 | 111.4 | L2 V26 V34 M47 I51 L192 I194 I211 | L2-F28 HydrophobicContact CB-CB 4.35Å; L2-F28 HydrophobicContact CB-CD2 4.19Å; L2-F28 HydrophobicContact CD2-CD2 3.61Å; L2-F28 HydrophobicContact CD2-CE2 3.95Å; L2-F28 HydrophobicContact CD2-CG 4.35Å; L2-F28 HydrophobicContact CG-CD2 3.92Å; L2-F28 HydrophobicContact CG-CE2 4.49Å; L2-F28 PolarHBondContact O-N 2.82Å; V26-F28 HydrophobicContact CG1-CE2 3.66Å; V26-F28 HydrophobicContact CG1-CZ 3.86Å; V26-F28 HydrophobicContact CG2-CE2 4.29Å; V26-F28 HydrophobicContact CG2-CZ 4.19Å; F28-V34 HydrophobicContact CD1-CB 4.32Å; F28-V34 HydrophobicContact CD1-CG1 4.4Å; F28-V34 HydrophobicContact CD1-CG2 3.89Å; F28-V34 HydrophobicContact CE1-CB 4.25Å; F28-V34 HydrophobicContact CE1-CG1 3.97Å; F28-V34 HydrophobicContact CE1-CG2 4.29Å; F28-M47 HydrophobicContact CZ-CE 4.06Å; F28-I51 HydrophobicContact CE2-CD1 4.13Å; F28-I51 HydrophobicContact CZ-CD1 4.07Å; F28-L192 HydrophobicContact CB-CD1 4.08Å; F28-L192 HydrophobicContact CB-CD2 3.54Å; F28-L192 HydrophobicContact CB-CG 4.49Å; F28-L192 HydrophobicContact CD1-CD1 4.35Å; F28-L192 HydrophobicContact CG-CD2 4.21Å; F28-I194 HydrophobicContact CD1-CD1 3.73Å; F28-I194 HydrophobicContact CD1-CG1 4.03Å; F28-I194 HydrophobicContact CD2-CD1 4.27Å; F28-I194 HydrophobicContact CE1-CD1 3.6Å; F28-I194 HydrophobicContact CE1-CG1 3.94Å; F28-I194 HydrophobicContact CE1-CG2 4.41Å; F28-I194 HydrophobicContact CE2-CD1 4.14Å; F28-I194 HydrophobicContact CG-CD1 4.08Å; F28-I194 HydrophobicContact CZ-CD1 3.82Å; F28-I211 HydrophobicContact CE1-CD1 4.17Å |
| 29 | R | 89.8 | Confident | 91 | Very high | 76 Ų | 76 | 34.8 Ų | 34.8 | 29% | 0.287 | 19% | 0.186 | S | C | . | . | trans | -81.9 | 164.7 | 176.8 | -58.7 | 175.2 | -179.2 | 102.3 | 0.7 | 110.3 | E32 L192 H223 P224 H225 | R29-E32 HydrophobicContact CB-CB 4.1Å; R29-E32 WeakPolarHBondContact CB-OE2 3.44Å; R29-E32 IonicContact CZ-OE1 3.34Å; R29-E32 PolarHBondContact N-OE2 3.28Å; R29-E32 IonicContact NH1-OE1 2.64Å; R29-E32 PolarHBondContact NH1-OE1 3.5Å; R29-L192 WeakPolarHBondContact O-CD1 3.28Å; R29-H223 PolarHBondContact NH1-O 3.21Å; R29-H223 PolarHBondContact NH2-O 2.82Å; R29-P224 PolarHBondContact NH2-O 2.87Å; R29-H225 HydrophobicContact CG-CB 4.16Å; R29-H225 PolarHBondContact NE-ND1 3.03Å | ||
| 30 | R | 87.2 | Confident | 90.9 | Very high | 151 Ų | 151 | 35 Ų | 35 | 57% | 0.57 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -75.1 | 146.1 | 165.2 | -69.8 | -172.3 | 173 | -176.7 | -1.1 | 108.1 | M1 D65 | M1-R30 HydrophobicContact CB-CG 3.83Å; M1-R30 HydrophobicContact CE-CG 4.49Å; M1-R30 HydrophobicContact CG-CG 3.89Å; M1-R30 HydrophobicContact SD-CB 4.2Å; M1-R30 HydrophobicContact SD-CG 3.59Å; M1-R30 VanDerWaalsContact SD-CG 3.59Å; R30-D65 IonicContact CZ-OD1 2.76Å; R30-D65 IonicContact NE-OD1 2.74Å; R30-D65 IonicContact NH2-OD1 3.76Å; R30-D65 PolarHBondContact NH2-OD1 3.05Å; R30-D65 IonicContact NH2-OD2 3.2Å |
| 31 | Q | 89.5 | Confident | 90.7 | Very high | 123 Ų | 123 | 38.3 Ų | 38.3 | 58% | 0.575 | 24% | 0.237 | S | C | * | . | S | Bend | trans | 57.2 | 52.9 | 172.5 | -57 | 178.3 | -21.4 | 0 | 0 | 112.8 | S188 E190 K191 | Q31-S188 CarbonylContact C-O 3.53Å; Q31-S188 VanDerWaalsContact CA-O 3.3Å; Q31-S188 WeakPolarHBondContact CA-O 3.45Å; Q31-E190 WeakPolarHBondContact CG-O 3.33Å; Q31-E190 PolarHBondContact NE2-O 3.28Å; Q31-K191 WeakPolarHBondContact CA-O 3.16Å |
| 32 | E | 92.9 | Very high | 90.6 | Very high | 12 Ų | 12 | 38.6 Ų | 38.6 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | trans | -131 | 138.6 | -176.9 | -177.7 | 178.2 | -140.8 | 0 | 0 | 108.8 | R29 V34 L192 V193 R209 | R29-E32 HydrophobicContact CB-CB 4.1Å; R29-E32 WeakPolarHBondContact CB-OE2 3.44Å; R29-E32 IonicContact CZ-OE1 3.34Å; R29-E32 PolarHBondContact N-OE2 3.28Å; R29-E32 IonicContact NH1-OE1 2.64Å; R29-E32 PolarHBondContact NH1-OE1 3.5Å; E32-V34 HydrophobicContact CB-CG2 4.46Å; E32-V34 HydrophobicContact CG-CG2 3.7Å; E32-L192 HydrophobicContact CB-CD1 4.21Å; E32-L192 WeakPolarHBondContact O-CD1 3.43Å; E32-V193 PolarHBondContact O-N 2.95Å; E32-R209 VanDerWaalsContact OE1-CD 3.31Å; E32-R209 WeakPolarHBondContact OE1-CD 3.39Å; E32-R209 IonicContact OE1-NH1 3.65Å; E32-R209 IonicContact OE2-NH1 2.87Å | ||
| 33 | F | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 106.3 | 167.8 | -164.4 | 162.7 | 0 | 0 | 0 | 109.9 | M181 I184 Q185 V193 M195 Y206 A207 D208 R209 | F33-M181 HydrophobicContact CE1-CE 4.22Å; F33-M181 HydrophobicContact CZ-CE 3.78Å; F33-I184 HydrophobicContact CE1-CG2 3.84Å; F33-I184 HydrophobicContact CE2-CG2 4.29Å; F33-I184 HydrophobicContact CZ-CG2 3.66Å; F33-Q185 HydrophobicContact CD1-CB 4.23Å; F33-Q185 HydrophobicContact CD1-CG 4.41Å; F33-Q185 HydrophobicContact CE1-CB 4.2Å; F33-V193 HydrophobicContact CD2-CB 4.29Å; F33-V193 HydrophobicContact CD2-CG1 3.93Å; F33-V193 HydrophobicContact CE2-CG1 3.97Å; F33-V193 HydrophobicContact CG-CG1 4.48Å; F33-M195 HydrophobicContact CE2-CB 3.76Å; F33-M195 HydrophobicContact CE2-CE 4.03Å; F33-M195 HydrophobicContact CE2-SD 4.26Å; F33-M195 HydrophobicContact CZ-CB 4.48Å; F33-M195 HydrophobicContact CZ-CE 4.07Å; F33-M195 HydrophobicContact CZ-SD 4.12Å; F33-Y206 VanDerWaalsContact CD1-O 3.28Å; F33-Y206 WeakPolarHBondContact CD1-O 3.48Å; F33-A207 HydrophobicContact CD2-CB 4.01Å; F33-A207 HydrophobicContact CE2-CB 4.31Å; F33-A207 HydrophobicContact CG-CB 4.25Å; F33-D208 WeakPolarHBondContact CB-OD2 3.11Å; F33-D208 PolarHBondContact N-OD2 2.7Å; F33-D208 PolarHBondContact O-N 3.46Å; F33-R209 PolarHBondContact O-N 3.48Å; F33-R209 VanDerWaalsContact O-N 3.14Å |
| 34 | V | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125.8 | 174.1 | -171.3 | 0 | 0 | 0 | 0 | 111.7 | F28 E32 L192 V193 I194 M195 R209 I211 | F28-V34 HydrophobicContact CD1-CB 4.32Å; F28-V34 HydrophobicContact CD1-CG1 4.4Å; F28-V34 HydrophobicContact CD1-CG2 3.89Å; F28-V34 HydrophobicContact CE1-CB 4.25Å; F28-V34 HydrophobicContact CE1-CG1 3.97Å; F28-V34 HydrophobicContact CE1-CG2 4.29Å; E32-V34 HydrophobicContact CB-CG2 4.46Å; E32-V34 HydrophobicContact CG-CG2 3.7Å; V34-L192 HydrophobicContact CG2-CD1 4.35Å; V34-V193 PolarHBondContact N-O 3.5Å; V34-I194 CarbonylContact O-C 3.53Å; V34-I194 WeakPolarHBondContact O-CA 3.5Å; V34-M195 PolarHBondContact O-N 2.97Å; V34-R209 CarbonylContact C-O 3.58Å; V34-R209 WeakPolarHBondContact CA-O 3.47Å; V34-R209 HydrophobicContact CG1-CG 4.39Å; V34-R209 HydrophobicContact CG2-CB 4.24Å; V34-I211 HydrophobicContact CG1-CD1 3.55Å; V34-I211 HydrophobicContact CG1-CG1 3.9Å |
| 35 | A | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 122.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | M195 A203 A207 R209 T210 I211 | A35-M195 CarbonylContact C-O 3.54Å; A35-M195 WeakPolarHBondContact CA-O 3.25Å; A35-M195 HydrophobicContact CB-CE 4.09Å; A35-A203 HydrophobicContact CB-CB 3.75Å; A35-A207 HydrophobicContact CB-CB 3.52Å; A35-R209 PolarHBondContact N-O 2.92Å; A35-T210 CarbonylContact O-C 3.58Å; A35-T210 WeakPolarHBondContact O-CA 3.21Å; A35-I211 PolarHBondContact O-N 2.85Å |
| 36 | I | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 107.1 | 171.5 | -57.6 | 172.6 | 0 | 0 | 0 | 107.7 | K44 M47 I194 M195 V196 T197 I211 F213 | I36-K44 HydrophobicContact CG2-CB 4.22Å; I36-K44 HydrophobicContact CG2-CD 4.31Å; I36-K44 HydrophobicContact CG2-CG 4.09Å; I36-M47 HydrophobicContact CD1-CE 3.91Å; I36-M47 HydrophobicContact CD1-CG 4.46Å; I36-M47 HydrophobicContact CD1-SD 3.83Å; I36-I194 HydrophobicContact CD1-CG2 3.54Å; I36-I194 HydrophobicContact CG1-CG2 4.11Å; I36-M195 PolarHBondContact N-O 3.48Å; I36-V196 HydrophobicContact CB-CG2 4.15Å; I36-V196 HydrophobicContact CD1-CG2 4.3Å; I36-T197 PolarHBondContact O-N 2.79Å; I36-T197 VanDerWaalsContact O-N 3.07Å; I36-I211 CarbonylContact C-O 3.59Å; I36-I211 WeakPolarHBondContact CA-O 3.1Å; I36-F213 HydrophobicContact CG2-CB 3.89Å; I36-F213 HydrophobicContact CG2-CG 4.29Å |
| 37 | L | 92.4 | Very high | 90.3 | Very high | 18 Ų | 18 | 35.8 Ų | 35.8 | 9% | 0.094 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 134.6 | -175.7 | -178.3 | 67.4 | 0 | 0 | 0 | 111 | T197 P200 T210 I211 R212 F213 | L37-T197 WeakPolarHBondContact CA-O 3.43Å; L37-T197 HydrophobicContact CD1-CG2 4.28Å; L37-P200 HydrophobicContact CD1-CB 4.31Å; L37-P200 HydrophobicContact CD1-CG 4.11Å; L37-P200 HydrophobicContact CD2-CB 3.93Å; L37-P200 HydrophobicContact CD2-CG 4.22Å; L37-T210 HydrophobicContact CB-CG2 4.07Å; L37-T210 HydrophobicContact CD2-CG2 4.41Å; L37-I211 PolarHBondContact N-O 2.89Å; L37-R212 CarbonylContact O-C 3.55Å; L37-R212 WeakPolarHBondContact O-CA 3.26Å; L37-F213 PolarHBondContact O-N 2.83Å |
| 38 | G | 90.2 | Very high | 90.3 | Very high | 16 Ų | 16 | 35.6 Ų | 35.6 | 17% | 0.165 | 22% | 0.215 | C | C | . | . | trans | 175.4 | 167.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K44 T197 F213 | G38-K44 WeakPolarHBondContact O-CE 3.45Å; G38-K44 PolarHBondContact O-NZ 2.94Å; G38-T197 PolarHBondContact N-O 3.14Å; G38-F213 WeakPolarHBondContact CA-O 3.04Å | ||
| 39 | A | 88.9 | Confident | 90.3 | Very high | 73 Ų | 73 | 36 Ų | 36 | 60% | 0.603 | 22% | 0.217 | S | C | * | . | trans | -62.9 | 159.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S42 K44 | A39-S42 WeakPolarHBondContact O-CB 3.38Å; A39-S42 PolarHBondContact O-N 3.37Å; A39-S42 PolarHBondContact O-OG 2.76Å; A39-K44 PolarHBondContact O-NZ 2.86Å | ||
| 40 | S | 85.2 | Confident | 90.4 | Very high | 120 Ų | 120 | 32.5 Ų | 32.5 | 84% | 0.839 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 142.5 | 174.1 | -169.7 | 0 | 0 | 0 | 0 | 110.7 | S42 | S40-S42 VanDerWaalsContact C-N 3.26Å; S40-S42 PolarHBondContact O-N 2.72Å |
| 41 | G | 84.4 | Confident | 90.7 | Very high | 77 Ų | 77 | 25.3 Ų | 25.3 | 79% | 0.794 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | -2.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116 | G43 | G41-G43 PolarHBondContact O-N 3.09Š|
| 42 | S | 87.3 | Confident | 90.7 | Very high | 7 Ų | 7 | 19.4 Ų | 19.4 | 5% | 0.049 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -69.4 | -4.3 | -176.9 | 71.3 | 0 | 0 | 0 | 0 | 115.9 | A39 S40 K44 F213 G216 | A39-S42 WeakPolarHBondContact O-CB 3.38Å; A39-S42 PolarHBondContact O-N 3.37Å; A39-S42 PolarHBondContact O-OG 2.76Å; S40-S42 VanDerWaalsContact C-N 3.26Å; S40-S42 PolarHBondContact O-N 2.72Å; S42-K44 VanDerWaalsContact OG-CG 3.27Å; S42-K44 WeakPolarHBondContact OG-CG 3.24Å; S42-F213 WeakPolarHBondContact CB-O 3.35Å; S42-F213 WeakPolarHBondContact O-CD1 3.49Å; S42-F213 WeakPolarHBondContact O-CE1 3.45Å; S42-F213 PolarHBondContact OG-O 2.89Å; S42-G216 PolarHBondContact O-N 2.89Å |
| 43 | G | 87.5 | Confident | 90.6 | Very high | 9 Ų | 9 | 19 Ų | 19 | 9% | 0.093 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 102.7 | 1.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | A20 G41 T45 T46 M47 | A20-G43 WeakPolarHBondContact O-CA 3.42Å; G41-G43 PolarHBondContact O-N 3.09Å; G43-T45 PolarHBondContact O-N 2.94Å; G43-T46 WeakPolarHBondContact O-CA 3.33Å; G43-T46 WeakPolarHBondContact O-CB 3.32Å; G43-T46 PolarHBondContact O-N 3.49Å; G43-T46 VanDerWaalsContact O-N 3.11Å; G43-M47 PolarHBondContact O-N 2.83Å |
| 44 | K | 91.1 | Very high | 90.3 | Very high | 9 Ų | 9 | 19.3 Ų | 19.3 | 4% | 0.039 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.9 | -52.4 | -175.5 | -48.9 | -176.2 | -61.7 | -73.8 | 0 | 114.2 | I36 G38 A39 S42 T46 M47 L48 V196 F213 | I36-K44 HydrophobicContact CG2-CB 4.22Å; I36-K44 HydrophobicContact CG2-CD 4.31Å; I36-K44 HydrophobicContact CG2-CG 4.09Å; G38-K44 WeakPolarHBondContact O-CE 3.45Å; G38-K44 PolarHBondContact O-NZ 2.94Å; A39-K44 PolarHBondContact O-NZ 2.86Å; S42-K44 VanDerWaalsContact OG-CG 3.27Å; S42-K44 WeakPolarHBondContact OG-CG 3.24Å; K44-T46 PolarHBondContact O-N 2.88Å; K44-M47 WeakPolarHBondContact O-CB 3.36Å; K44-M47 PolarHBondContact O-N 2.83Å; K44-M47 VanDerWaalsContact O-N 3.11Å; K44-L48 PolarHBondContact O-N 3.01Å; K44-V196 HydrophobicContact CB-CB 4.31Å; K44-V196 HydrophobicContact CB-CG1 3.39Å; K44-V196 HydrophobicContact CB-CG2 3.91Å; K44-V196 HydrophobicContact CD-CG1 3.91Å; K44-V196 HydrophobicContact CG-CG1 4.27Å; K44-F213 HydrophobicContact CG-CB 4.26Å; K44-F213 HydrophobicContact CG-CD1 4.19Å |
| 45 | T | 89.2 | Confident | 90.1 | Very high | 44 Ų | 44 | 19.8 Ų | 19.8 | 27% | 0.27 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -62.3 | -34.3 | 177.7 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | G43 L48 N49 D166 | G43-T45 PolarHBondContact O-N 2.94Å; T45-L48 PolarHBondContact O-N 2.8Å; T45-N49 WeakPolarHBondContact O-CB 3.38Å; T45-N49 PolarHBondContact O-N 2.93Å; T45-N49 PolarHBondContact O-ND2 2.82Å; T45-D166 WeakPolarHBondContact CG2-OD2 3.4Å; T45-D166 PolarHBondContact OG1-OD1 2.92Å; T45-D166 VanDerWaalsContact OG1-OD1 3.05Å |
| 46 | T | 90.3 | Very high | 89.8 | Confident | 11 Ų | 11 | 23.7 Ų | 23.7 | 7% | 0.067 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.2 | -43.8 | 173.5 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | K9 Y11 A20 L21 G43 K44 L48 N49 V50 | K9-T46 HydrophobicContact CB-CG2 4.39Å; K9-T46 HydrophobicContact CG-CG2 3.9Å; Y11-T46 HydrophobicContact CE2-CG2 3.8Å; Y11-T46 WeakPolarHBondContact OH-CG2 3.46Å; A20-T46 HydrophobicContact CB-CG2 3.71Å; L21-T46 HydrophobicContact CD1-CG2 4.25Å; L21-T46 HydrophobicContact CG-CG2 4.13Å; G43-T46 WeakPolarHBondContact O-CA 3.33Å; G43-T46 WeakPolarHBondContact O-CB 3.32Å; G43-T46 PolarHBondContact O-N 3.49Å; G43-T46 VanDerWaalsContact O-N 3.11Å; K44-T46 PolarHBondContact O-N 2.88Å; T46-L48 VanDerWaalsContact C-N 3.31Å; T46-L48 PolarHBondContact O-N 3.2Å; T46-N49 PolarHBondContact O-N 3.49Å; T46-V50 WeakPolarHBondContact O-CG2 3.3Å; T46-V50 PolarHBondContact O-N 2.84Å |
| 47 | M | 91.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.6 | -46.4 | 174.5 | -174.4 | 175.9 | 168.2 | 0 | 0 | 111 | L4 L21 V24 V26 F28 I36 G43 K44 V50 I51 F213 | L4-M47 HydrophobicContact CD1-CE 4.01Å; L21-M47 HydrophobicContact CD2-CB 3.67Å; L21-M47 HydrophobicContact CD2-CG 4.33Å; V24-M47 HydrophobicContact CG1-CE 4.16Å; V24-M47 HydrophobicContact CG1-SD 4.3Å; V26-M47 HydrophobicContact CG1-CE 3.7Å; F28-M47 HydrophobicContact CZ-CE 4.06Å; I36-M47 HydrophobicContact CD1-CE 3.91Å; I36-M47 HydrophobicContact CD1-CG 4.46Å; I36-M47 HydrophobicContact CD1-SD 3.83Å; G43-M47 PolarHBondContact O-N 2.83Å; K44-M47 WeakPolarHBondContact O-CB 3.36Å; K44-M47 PolarHBondContact O-N 2.83Å; K44-M47 VanDerWaalsContact O-N 3.11Å; M47-V50 PolarHBondContact O-N 2.82Å; M47-I51 HydrophobicContact CE-CD1 4.08Å; M47-I51 HydrophobicContact CG-CD1 3.98Å; M47-I51 VanDerWaalsContact O-CG1 3.29Å; M47-I51 WeakPolarHBondContact O-CG1 3.3Å; M47-I51 PolarHBondContact O-N 2.78Å; M47-F213 HydrophobicContact SD-CD2 3.97Å; M47-F213 HydrophobicContact SD-CE2 3.59Å; M47-F213 VanDerWaalsContact SD-CE2 3.59Å; M47-F213 HydrophobicContact SD-CZ 4.17Å |
| 48 | L | 92.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.5 | -40.3 | 179.3 | -170.6 | 150.1 | 0 | 0 | 0 | 111.7 | K44 T45 T46 V50 I51 G52 F87 L164 C165 D166 V196 | K44-L48 PolarHBondContact O-N 3.01Å; T45-L48 PolarHBondContact O-N 2.8Å; T46-L48 VanDerWaalsContact C-N 3.31Å; T46-L48 PolarHBondContact O-N 3.2Å; L48-V50 PolarHBondContact O-N 3.15Å; L48-I51 PolarHBondContact O-N 2.84Å; L48-G52 PolarHBondContact O-N 3.32Å; L48-F87 HydrophobicContact CD2-CD2 4.26Å; L48-F87 HydrophobicContact CD2-CE1 3.75Å; L48-F87 HydrophobicContact CD2-CE2 3.26Å; L48-F87 HydrophobicContact CD2-CZ 2.97Å; L48-F87 HydrophobicContact CG-CZ 4.47Å; L48-L164 HydrophobicContact CD1-CB 4.22Å; L48-L164 HydrophobicContact CD2-CB 3.89Å; L48-L164 HydrophobicContact CD2-CD1 4.42Å; L48-L164 HydrophobicContact CG-CB 3.98Å; L48-L164 HydrophobicContact CG-CD1 4.49Å; L48-C165 WeakPolarHBondContact CD1-O 3.47Å; L48-D166 HydrophobicContact CD1-CB 4.38Å; L48-D166 HydrophobicContact CD2-CB 4.35Å; L48-V196 HydrophobicContact CB-CG2 3.95Å; L48-V196 HydrophobicContact CD1-CB 4.14Å; L48-V196 HydrophobicContact CD1-CG2 3.53Å; L48-V196 HydrophobicContact CG-CG2 4.37Å |
| 49 | N | 90.7 | Very high | 89.7 | Confident | 10 Ų | 10 | 30.4 Ų | 30.4 | 5% | 0.053 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.8 | -39 | 174.5 | -72.8 | -18.6 | 0 | 0 | 0 | 112.6 | T45 T46 G52 G53 L54 D55 F87 | T45-N49 WeakPolarHBondContact O-CB 3.38Å; T45-N49 PolarHBondContact O-N 2.93Å; T45-N49 PolarHBondContact O-ND2 2.82Å; T46-N49 PolarHBondContact O-N 3.49Å; N49-G52 PolarHBondContact O-N 2.7Å; N49-G53 PolarHBondContact O-N 2.97Å; N49-G53 VanDerWaalsContact O-N 3.1Å; N49-L54 HydrophobicContact CB-CB 4.11Å; N49-L54 PolarHBondContact O-N 2.83Å; N49-D55 HydrophobicContact CB-CB 4.2Å; N49-D55 PolarHBondContact O-N 3.43Å; N49-F87 WeakPolarHBondContact OD1-CZ 3.47Å |
| 50 | V | 92 | Very high | 89.8 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68 | -45.6 | 176.2 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | I7 L21 T46 M47 L48 G52 G53 D55 Y57 | I7-V50 HydrophobicContact CG2-CG1 4.11Å; L21-V50 HydrophobicContact CD1-CB 4.2Å; L21-V50 HydrophobicContact CD1-CG2 3.82Å; T46-V50 WeakPolarHBondContact O-CG2 3.3Å; T46-V50 PolarHBondContact O-N 2.84Å; M47-V50 PolarHBondContact O-N 2.82Å; L48-V50 PolarHBondContact O-N 3.15Å; V50-G52 VanDerWaalsContact C-N 3.27Å; V50-G52 PolarHBondContact O-N 2.8Å; V50-G53 PolarHBondContact O-N 3.01Å; V50-D55 HydrophobicContact CG2-CB 4.36Å; V50-Y57 HydrophobicContact CG1-CD1 4.22Å |
| 51 | I | 92.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.8 | -43.3 | 175.3 | -71.5 | 166.8 | 0 | 0 | 0 | 111.1 | L2 L4 F28 M47 L48 G53 Y80 L164 I194 | L2-I51 HydrophobicContact CD2-CB 4.43Å; L2-I51 HydrophobicContact CD2-CG1 4.29Å; L2-I51 HydrophobicContact CD2-CG2 3.4Å; L2-I51 VanDerWaalsContact CD2-CG2 3.4Å; L4-I51 HydrophobicContact CD1-CD1 4.09Å; L4-I51 HydrophobicContact CD1-CG1 3.9Å; L4-I51 HydrophobicContact CD2-CG1 4.22Å; F28-I51 HydrophobicContact CE2-CD1 4.13Å; F28-I51 HydrophobicContact CZ-CD1 4.07Å; M47-I51 HydrophobicContact CE-CD1 4.08Å; M47-I51 HydrophobicContact CG-CD1 3.98Å; M47-I51 VanDerWaalsContact O-CG1 3.29Å; M47-I51 WeakPolarHBondContact O-CG1 3.3Å; M47-I51 PolarHBondContact O-N 2.78Å; L48-I51 PolarHBondContact O-N 2.84Å; I51-G53 PolarHBondContact O-N 3.15Å; I51-Y80 VanDerWaalsContact O-CE1 3.3Å; I51-Y80 WeakPolarHBondContact O-CE1 3.46Å; I51-Y80 PolarHBondContact O-OH 3.47Å; I51-L164 HydrophobicContact CG2-CD1 4.07Å; I51-L164 HydrophobicContact CG2-CD2 3.78Å; I51-I194 HydrophobicContact CD1-CD1 4.17Å; I51-I194 HydrophobicContact CG2-CD1 4.16Å |
| 52 | G | 91 | Very high | 90.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -4.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L48 N49 V50 L54 R81 | L48-G52 PolarHBondContact O-N 3.32Å; N49-G52 PolarHBondContact O-N 2.7Å; V50-G52 VanDerWaalsContact C-N 3.27Å; V50-G52 PolarHBondContact O-N 2.8Å; G52-L54 PolarHBondContact O-N 3.18Å; G52-R81 WeakPolarHBondContact O-CD 3.45Å; G52-R81 WeakPolarHBondContact O-CG 3.49Å |
| 53 | G | 89.8 | Confident | 90.6 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 23.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N49 V50 I51 R81 | N49-G53 PolarHBondContact O-N 2.97Å; N49-G53 VanDerWaalsContact O-N 3.1Å; V50-G53 PolarHBondContact O-N 3.01Å; I51-G53 PolarHBondContact O-N 3.15Å; G53-R81 WeakPolarHBondContact O-CD 3.47Å; G53-R81 PolarHBondContact O-NH1 2.93Å |
| 54 | L | 88.7 | Confident | 90.6 | Very high | 8 Ų | 8 | 19.8 Ų | 19.8 | 4% | 0.042 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -79.3 | -26.5 | 170.4 | -66 | -175.8 | 0 | 0 | 0 | 112.2 | N49 G52 F87 F89 A689 A775 L779 | N49-L54 HydrophobicContact CB-CB 4.11Å; N49-L54 PolarHBondContact O-N 2.83Å; G52-L54 PolarHBondContact O-N 3.18Å; L54-F87 HydrophobicContact CD1-CD2 3.73Å; L54-F87 HydrophobicContact CD1-CE1 4.32Å; L54-F87 HydrophobicContact CD1-CE2 3.23Å; L54-F87 HydrophobicContact CD1-CG 4.41Å; L54-F87 HydrophobicContact CD1-CZ 3.53Å; L54-F87 HydrophobicContact CG-CD2 4.36Å; L54-F87 HydrophobicContact CG-CE2 4.04Å; L54-F89 HydrophobicContact CD1-CE1 4Å; L54-F89 HydrophobicContact CD1-CZ 4.2Å; L54-A689 HydrophobicContact CD1-CB 4.49Å; L54-A689 HydrophobicContact CD2-CB 3.47Å; L54-A689 VanDerWaalsContact CD2-CB 3.47Å; L54-A775 HydrophobicContact CD2-CB 4.38Å; L54-L779 HydrophobicContact CD1-CD1 4.39Å |
| 55 | D | 89.4 | Confident | 90.2 | Very high | 9 Ų | 9 | 20.4 Ų | 20.4 | 5% | 0.048 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -131.8 | 148.2 | 174.5 | -160.4 | -10.4 | 0 | 0 | 0 | 109.5 | K9 Y11 N49 V50 A776 | K9-D55 VanDerWaalsContact CE-CG 3.44Å; K9-D55 WeakPolarHBondContact CE-OD1 3.37Å; K9-D55 WeakPolarHBondContact CE-OD2 3.39Å; K9-D55 IonicContact NZ-OD1 3.89Å; K9-D55 PolarHBondContact NZ-OD1 3.38Å; K9-D55 IonicContact NZ-OD2 3.78Å; Y11-D55 VanDerWaalsContact CE1-OD2 3.31Å; Y11-D55 WeakPolarHBondContact CE1-OD2 3.48Å; Y11-D55 VanDerWaalsContact CZ-OD2 3.22Å; Y11-D55 PolarHBondContact OH-OD2 3.03Å; N49-D55 HydrophobicContact CB-CB 4.2Å; N49-D55 PolarHBondContact O-N 3.43Å; V50-D55 HydrophobicContact CG2-CB 4.36Å; D55-A776 HydrophobicContact CB-CB 4.48Å |
| 56 | N | 88 | Confident | 89.9 | Confident | 83 Ų | 83 | 19.7 Ų | 19.7 | 44% | 0.444 | 12% | 0.12 | S | C | . | . | trans | -87.3 | 141.6 | 178.8 | -66.8 | -26.8 | 0 | 0 | 0 | 109.9 | K9 | K9-N56 VanDerWaalsContact CD-O 3.27Å; K9-N56 WeakPolarHBondContact CD-O 2.92Å; K9-N56 VanDerWaalsContact CE-O 3.27Å; K9-N56 WeakPolarHBondContact CE-O 3.49Å; K9-N56 PolarHBondContact NZ-O 3.02Å | ||
| 57 | Y | 91.9 | Very high | 89.6 | Confident | 36 Ų | 36 | 21.5 Ų | 21.5 | 14% | 0.141 | 13% | 0.127 | C | C | . | . | trans | -80.1 | 149.6 | 168 | 57.5 | -93.4 | 0 | 0 | 0 | 110.9 | I7 V50 G60 M62 T69 K70 W77 | I7-Y57 HydrophobicContact CD1-CD1 3.99Å; I7-Y57 HydrophobicContact CD1-CD2 3.94Å; I7-Y57 HydrophobicContact CD1-CE1 4.42Å; I7-Y57 HydrophobicContact CD1-CE2 4.37Å; I7-Y57 HydrophobicContact CD1-CG 3.73Å; V50-Y57 HydrophobicContact CG1-CD1 4.22Å; Y57-G60 WeakPolarHBondContact CE2-O 3.41Å; Y57-M62 HydrophobicContact CE1-CB 4.16Å; Y57-T69 PolarHBondContact OH-OG1 2.84Å; Y57-T69 VanDerWaalsContact OH-OG1 3.04Å; Y57-K70 PolarHBondContact OH-N 2.88Å; Y57-W77 HydrophobicContact CE1-CH2 4.25Å; Y57-W77 HydrophobicContact CE1-CZ2 4.17Å | ||
| 58 | D | 90.3 | Very high | 89.5 | Confident | 86 Ų | 86 | 23 Ų | 23 | 46% | 0.46 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -86.2 | -34.7 | -178.1 | -57.9 | -34.4 | 0 | 0 | 0 | 111.7 | K8 K9 Y10 | K8-D58 PolarHBondContact O-N 2.82Å; K9-D58 WeakPolarHBondContact CA-OD2 3.42Å; K9-D58 IonicContact NZ-OD1 2.81Å; Y10-D58 PolarHBondContact N-OD2 3.01Å |
| 59 | S | 91.4 | Very high | 89.5 | Confident | 53 Ų | 53 | 23.1 Ų | 23.1 | 37% | 0.371 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 168.3 | 173 | 63.6 | 0 | 0 | 0 | 0 | 111.2 | I7 K8 | I7-S59 WeakPolarHBondContact CA-O 3.39Å; K8-S59 WeakPolarHBondContact CB-OG 3.38Å; K8-S59 PolarHBondContact N-O 2.67Å; K8-S59 PolarHBondContact O-N 2.86Å |
| 60 | G | 91 | Very high | 89.3 | Confident | 18 Ų | 18 | 29 Ų | 29 | 19% | 0.186 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 99.7 | -164.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K5 D6 Y57 K70 | K5-G60 CarbonylContact O-C 3.54Å; K5-G60 WeakPolarHBondContact O-CA 2.75Å; D6-G60 WeakPolarHBondContact O-CA 3.24Å; Y57-G60 WeakPolarHBondContact CE2-O 3.41Å; G60-K70 WeakPolarHBondContact O-CE 3.38Å |
| 61 | D | 92.1 | Very high | 88.9 | Confident | 24 Ų | 24 | 33.7 Ų | 33.7 | 13% | 0.128 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 135.3 | 177.9 | -154 | -16.1 | 0 | 0 | 0 | 110.6 | K5 S68 K70 | K5-D61 HydrophobicContact CB-CB 4.25Å; K5-D61 WeakPolarHBondContact CB-O 3.26Å; K5-D61 PolarHBondContact N-O 3.29Å; K5-D61 PolarHBondContact O-N 2.82Å; D61-S68 VanDerWaalsContact CG-OG 3.27Å; D61-S68 PolarHBondContact OD1-OG 3.28Å; D61-S68 PolarHBondContact OD2-OG 3.04Å; D61-S68 VanDerWaalsContact OD2-OG 3.11Å; D61-K70 HydrophobicContact CB-CD 4.34Å; D61-K70 VanDerWaalsContact CG-CE 3.48Å; D61-K70 WeakPolarHBondContact OD2-CD 3.4Å; D61-K70 WeakPolarHBondContact OD2-CE 3.44Å; D61-K70 IonicContact OD2-NZ 2.88Å; D61-K70 PolarHBondContact OD2-NZ 2.87Å |
| 62 | M | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 126.6 | 169 | 175.4 | 167.8 | 89.8 | 0 | 0 | 108.8 | L2 E3 L4 I7 Y57 I64 T69 W77 Y80 | L2-M62 HydrophobicContact CD1-CG 3.82Å; L2-M62 HydrophobicContact CD1-SD 3.8Å; E3-M62 CarbonylContact O-C 3.54Å; E3-M62 WeakPolarHBondContact O-CA 3.36Å; L4-M62 HydrophobicContact CD2-CB 3.95Å; L4-M62 HydrophobicContact CD2-CG 3.6Å; L4-M62 HydrophobicContact CD2-SD 3.53Å; L4-M62 VanDerWaalsContact CD2-SD 3.53Å; I7-M62 HydrophobicContact CD1-CB 4.39Å; Y57-M62 HydrophobicContact CE1-CB 4.16Å; M62-I64 HydrophobicContact CE-CD1 3.98Å; M62-I64 HydrophobicContact CE-CG1 4.4Å; M62-I64 HydrophobicContact CG-CG1 4.41Å; M62-T69 HydrophobicContact CB-CG2 4.44Å; M62-T69 WeakPolarHBondContact CB-OG1 3.44Å; M62-T69 HydrophobicContact CE-CG2 4.09Å; M62-T69 HydrophobicContact CG-CG2 4.41Å; M62-T69 WeakPolarHBondContact O-CB 3.19Å; M62-T69 VanDerWaalsContact O-CG2 3.25Å; M62-T69 WeakPolarHBondContact O-CG2 3.33Å; M62-T69 PolarHBondContact O-N 2.86Å; M62-T69 PolarHBondContact O-OG1 3.49Å; M62-W77 HydrophobicContact CE-CH2 3.42Å; M62-W77 VanDerWaalsContact CE-CH2 3.42Å; M62-W77 HydrophobicContact CE-CZ3 3.43Å; M62-W77 VanDerWaalsContact CE-CZ3 3.43Å; M62-Y80 HydrophobicContact CE-CE1 4.27Å |
| 63 | V | 89.7 | Confident | 88.6 | Confident | 18 Ų | 18 | 42.1 Ų | 42.1 | 11% | 0.109 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.6 | -177 | -175.1 | 0 | 0 | 0 | 0 | 109 | L2 E3 K5 G66 K67 | L2-V63 WeakPolarHBondContact CA-O 3.12Å; E3-V63 HydrophobicContact CB-CB 4.28Å; E3-V63 PolarHBondContact N-O 2.81Å; E3-V63 PolarHBondContact O-N 2.94Å; K5-V63 HydrophobicContact CD-CG2 4.41Å; V63-G66 VanDerWaalsContact CG1-C 3.48Å; V63-K67 WeakPolarHBondContact CA-O 3.24Å |
| 64 | I | 87.5 | Confident | 88.4 | Confident | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.015 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 119.8 | 179.5 | -56.3 | 158.9 | 0 | 0 | 0 | 108.1 | M1 L2 M62 G66 K67 T69 F72 Y80 F234 | M1-I64 CarbonylContact O-C 3.56Å; M1-I64 WeakPolarHBondContact O-CA 3.24Å; L2-I64 HydrophobicContact CD1-CG1 3.99Å; M62-I64 HydrophobicContact CE-CD1 3.98Å; M62-I64 HydrophobicContact CE-CG1 4.4Å; M62-I64 HydrophobicContact CG-CG1 4.41Å; I64-G66 PolarHBondContact O-N 3.27Å; I64-G66 VanDerWaalsContact O-N 3.08Å; I64-K67 PolarHBondContact N-O 3.45Å; I64-K67 WeakPolarHBondContact O-CB 3.22Å; I64-K67 PolarHBondContact O-N 3.02Å; I64-T69 HydrophobicContact CD1-CG2 3.43Å; I64-T69 VanDerWaalsContact CD1-CG2 3.43Å; I64-T69 HydrophobicContact CG1-CG2 4.02Å; I64-F72 HydrophobicContact CD1-CE2 4.16Å; I64-F72 HydrophobicContact CD1-CZ 4.41Å; I64-Y80 HydrophobicContact CD1-CD1 4.39Å; I64-Y80 HydrophobicContact CD1-CD2 3.72Å; I64-Y80 HydrophobicContact CD1-CE1 4.09Å; I64-Y80 HydrophobicContact CD1-CE2 3.39Å; I64-Y80 HydrophobicContact CD1-CG 4.19Å; I64-Y80 HydrophobicContact CG1-CE2 4.13Å; I64-Y80 HydrophobicContact CG2-CE2 4.1Å; I64-F234 HydrophobicContact CG2-CD2 4.19Å; I64-F234 HydrophobicContact CG2-CE2 3.93Å; I64-F234 HydrophobicContact CG2-CZ 4.17Å |
| 65 | D | 83.3 | Confident | 88.2 | Confident | 21 Ų | 21 | 47.4 Ų | 47.4 | 11% | 0.112 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 43.8 | 43.5 | -176.8 | -71 | -45.2 | 0 | 0 | 0 | 113.5 | M1 R30 K67 F234 | M1-D65 PolarHBondContact O-N 3.18Å; R30-D65 IonicContact CZ-OD1 2.76Å; R30-D65 IonicContact NE-OD1 2.74Å; R30-D65 IonicContact NH2-OD1 3.76Å; R30-D65 PolarHBondContact NH2-OD1 3.05Å; R30-D65 IonicContact NH2-OD2 3.2Å; D65-K67 VanDerWaalsContact C-N 3.31Å; D65-K67 PolarHBondContact O-N 3.41Å; D65-F234 HydrophobicContact CB-CB 4.24Å; D65-F234 HydrophobicContact CB-CD2 4.18Å |
| 66 | G | 82.3 | Confident | 88.2 | Confident | 30 Ų | 30 | 48.1 Ų | 48.1 | 31% | 0.309 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | -11.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V63 I64 | V63-G66 VanDerWaalsContact CG1-C 3.48Å; I64-G66 PolarHBondContact O-N 3.27Å; I64-G66 VanDerWaalsContact O-N 3.08Å |
| 67 | K | 85.3 | Confident | 88.3 | Confident | 49 Ų | 49 | 45 Ų | 45 | 21% | 0.213 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 126 | -179.7 | -166.7 | 176.5 | -174.5 | 175.2 | 0 | 111.7 | V63 I64 D65 F72 F234 | V63-K67 WeakPolarHBondContact CA-O 3.24Å; I64-K67 PolarHBondContact N-O 3.45Å; I64-K67 WeakPolarHBondContact O-CB 3.22Å; I64-K67 PolarHBondContact O-N 3.02Å; D65-K67 VanDerWaalsContact C-N 3.31Å; D65-K67 PolarHBondContact O-N 3.41Å; K67-F72 HydrophobicContact CD-CE1 3.88Å; K67-F72 HydrophobicContact CD-CZ 4.4Å; K67-F72 HydrophobicContact CG-CE1 4.1Å; K67-F234 HydrophobicContact CB-CB 4.17Å; K67-F234 HydrophobicContact CD-CB 4.33Å; K67-F234 HydrophobicContact CD-CD1 4.13Å |
| 68 | S | 89.4 | Confident | 88.2 | Confident | 32 Ų | 32 | 43.9 Ų | 43.9 | 22% | 0.224 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 133.3 | 174.3 | 168.9 | 0 | 0 | 0 | 0 | 111.5 | D61 K70 T71 | D61-S68 VanDerWaalsContact CG-OG 3.27Å; D61-S68 PolarHBondContact OD1-OG 3.28Å; D61-S68 PolarHBondContact OD2-OG 3.04Å; D61-S68 VanDerWaalsContact OD2-OG 3.11Å; S68-K70 VanDerWaalsContact C-N 3.33Å; S68-K70 PolarHBondContact OG-N 3.27Å; S68-T71 PolarHBondContact O-OG1 3.24Å |
| 69 | T | 90.4 | Very high | 88.1 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -80.5 | -8 | 176.9 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | Y57 M62 I64 T71 F72 W77 | Y57-T69 PolarHBondContact OH-OG1 2.84Å; Y57-T69 VanDerWaalsContact OH-OG1 3.04Å; M62-T69 HydrophobicContact CB-CG2 4.44Å; M62-T69 WeakPolarHBondContact CB-OG1 3.44Å; M62-T69 HydrophobicContact CE-CG2 4.09Å; M62-T69 HydrophobicContact CG-CG2 4.41Å; M62-T69 WeakPolarHBondContact O-CB 3.19Å; M62-T69 VanDerWaalsContact O-CG2 3.25Å; M62-T69 WeakPolarHBondContact O-CG2 3.33Å; M62-T69 PolarHBondContact O-N 2.86Å; M62-T69 PolarHBondContact O-OG1 3.49Å; I64-T69 HydrophobicContact CD1-CG2 3.43Å; I64-T69 VanDerWaalsContact CD1-CG2 3.43Å; I64-T69 HydrophobicContact CG1-CG2 4.02Å; T69-T71 PolarHBondContact O-N 3.27Å; T69-T71 VanDerWaalsContact O-N 3.09Å; T69-F72 HydrophobicContact CG2-CD1 4.39Å; T69-F72 HydrophobicContact CG2-CD2 3.93Å; T69-F72 HydrophobicContact CG2-CE1 4.2Å; T69-F72 HydrophobicContact CG2-CE2 3.75Å; T69-F72 HydrophobicContact CG2-CG 4.26Å; T69-F72 HydrophobicContact CG2-CZ 3.88Å; T69-F72 VanDerWaalsContact O-CB 3.24Å; T69-F72 WeakPolarHBondContact O-CB 3.44Å; T69-F72 PolarHBondContact O-N 2.7Å; T69-W77 HydrophobicContact CG2-CH2 3.94Å; T69-W77 HydrophobicContact CG2-CZ2 4.36Å; T69-W77 HydrophobicContact CG2-CZ3 4.45Å |
| 70 | K | 87 | Confident | 88.1 | Confident | 134 Ų | 134 | 37.3 Ų | 37.3 | 58% | 0.583 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -56.5 | -28.4 | 172.8 | -75.4 | 175.1 | 177.3 | 161 | 0 | 113.4 | Y57 G60 D61 S68 | Y57-K70 PolarHBondContact OH-N 2.88Å; G60-K70 WeakPolarHBondContact O-CE 3.38Å; D61-K70 HydrophobicContact CB-CD 4.34Å; D61-K70 VanDerWaalsContact CG-CE 3.48Å; D61-K70 WeakPolarHBondContact OD2-CD 3.4Å; D61-K70 WeakPolarHBondContact OD2-CE 3.44Å; D61-K70 IonicContact OD2-NZ 2.88Å; D61-K70 PolarHBondContact OD2-NZ 2.87Å; S68-K70 VanDerWaalsContact C-N 3.33Å; S68-K70 PolarHBondContact OG-N 3.27Å |
| 71 | T | 84.7 | Confident | 88.1 | Confident | 99 Ų | 99 | 37.4 Ų | 37.4 | 61% | 0.607 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -88.2 | -4.7 | 179.1 | 63.1 | 0 | 0 | 0 | 0 | 113.3 | S68 T69 | S68-T71 PolarHBondContact O-OG1 3.24Å; T69-T71 PolarHBondContact O-N 3.27Å; T69-T71 VanDerWaalsContact O-N 3.09Å |
| 72 | F | 88.7 | Confident | 88 | Confident | 19 Ų | 19 | 36.4 Ų | 36.4 | 8% | 0.083 | 19% | 0.194 | C | C | . | . | trans | -71.9 | 132.4 | -175.9 | -79.1 | 25.9 | 0 | 0 | 0 | 110.4 | I64 K67 T69 D76 W77 F234 L236 | I64-F72 HydrophobicContact CD1-CE2 4.16Å; I64-F72 HydrophobicContact CD1-CZ 4.41Å; K67-F72 HydrophobicContact CD-CE1 3.88Å; K67-F72 HydrophobicContact CD-CZ 4.4Å; K67-F72 HydrophobicContact CG-CE1 4.1Å; T69-F72 HydrophobicContact CG2-CD1 4.39Å; T69-F72 HydrophobicContact CG2-CD2 3.93Å; T69-F72 HydrophobicContact CG2-CE1 4.2Å; T69-F72 HydrophobicContact CG2-CE2 3.75Å; T69-F72 HydrophobicContact CG2-CG 4.26Å; T69-F72 HydrophobicContact CG2-CZ 3.88Å; T69-F72 VanDerWaalsContact O-CB 3.24Å; T69-F72 WeakPolarHBondContact O-CB 3.44Å; T69-F72 PolarHBondContact O-N 2.7Å; F72-D76 HydrophobicContact CB-CB 3.91Å; F72-D76 HydrophobicContact CD1-CB 4.4Å; F72-D76 HydrophobicContact CD2-CB 3.91Å; F72-D76 HydrophobicContact CG-CB 3.82Å; F72-W77 HydrophobicContact CB-CD2 4.46Å; F72-W77 HydrophobicContact CB-CG 4.48Å; F72-W77 HydrophobicContact CB-CZ2 4.48Å; F72-W77 HydrophobicContact CD2-CD2 4.13Å; F72-W77 HydrophobicContact CD2-CE3 4.36Å; F72-F234 HydrophobicContact CE2-CE1 4.43Å; F72-F234 HydrophobicContact CZ-CD1 4.26Å; F72-F234 AromaticContact CZ-CE1 3.97Å; F72-F234 HydrophobicContact CZ-CE1 3.97Å; F72-L236 HydrophobicContact CE2-CD1 4.38Å; F72-L236 HydrophobicContact CZ-CD1 4.23Å | ||
| 73 | K | 87.7 | Confident | 87.8 | Confident | 158 Ų | 158 | 38.3 Ų | 38.3 | 69% | 0.687 | 20% | 0.204 | S | C | * | . | trans | -90.6 | 168.1 | 167.8 | -59.9 | -179.8 | -178.8 | -178.9 | 0 | 109.1 | A75 D76 W77 | K73-A75 PolarHBondContact O-N 2.88Å; K73-D76 PolarHBondContact N-OD2 2.89Å; K73-D76 WeakPolarHBondContact O-CA 3.37Å; K73-D76 WeakPolarHBondContact O-CB 3.42Å; K73-D76 PolarHBondContact O-N 3.21Å; K73-W77 PolarHBondContact O-N 3.49Å; K73-W77 VanDerWaalsContact O-N 3.15Å | ||
| 74 | D | 86.1 | Confident | 87.8 | Confident | 82 Ų | 82 | 37.8 Ų | 37.8 | 44% | 0.439 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -46 | -43.4 | 175.4 | -72.6 | -12.9 | 0 | 0 | 0 | 112.9 | D76 W77 D78 K694 | D74-D76 VanDerWaalsContact C-N 3.28Å; D74-D76 PolarHBondContact O-N 3.35Å; D74-W77 WeakPolarHBondContact O-CB 3.25Å; D74-W77 PolarHBondContact O-N 3.01Å; D74-D78 PolarHBondContact O-N 2.92Å; D74-K694 IonicContact OD1-NZ 2.77Å; D74-K694 WeakPolarHBondContact OD2-CE 3.4Å; D74-K694 IonicContact OD2-NZ 2.7Å; D74-K694 PolarHBondContact OD2-NZ 2.82Å |
| 75 | A | 85.1 | Confident | 88.1 | Confident | 39 Ų | 39 | 38.1 Ų | 38.1 | 32% | 0.322 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.4 | -26.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K73 A79 | K73-A75 PolarHBondContact O-N 2.88Å; A75-A79 WeakPolarHBondContact O-CB 3.28Å; A75-A79 PolarHBondContact O-N 3.04Å |
| 76 | D | 88.9 | Confident | 88.5 | Confident | 24 Ų | 24 | 37.2 Ų | 37.2 | 13% | 0.128 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -76.8 | -40.1 | 176.8 | -57.7 | -47.8 | 0 | 0 | 0 | 109.9 | F72 K73 D74 A79 Y80 L236 | F72-D76 HydrophobicContact CB-CB 3.91Å; F72-D76 HydrophobicContact CD1-CB 4.4Å; F72-D76 HydrophobicContact CD2-CB 3.91Å; F72-D76 HydrophobicContact CG-CB 3.82Å; K73-D76 PolarHBondContact N-OD2 2.89Å; K73-D76 WeakPolarHBondContact O-CA 3.37Å; K73-D76 WeakPolarHBondContact O-CB 3.42Å; K73-D76 PolarHBondContact O-N 3.21Å; D74-D76 VanDerWaalsContact C-N 3.28Å; D74-D76 PolarHBondContact O-N 3.35Å; D76-A79 PolarHBondContact O-N 3.18Å; D76-Y80 WeakPolarHBondContact O-CB 3.34Å; D76-Y80 PolarHBondContact O-N 2.91Å; D76-L236 HydrophobicContact CB-CD1 3.72Å |
| 77 | W | 90.6 | Very high | 89 | Confident | 17 Ų | 17 | 36.2 Ų | 36.2 | 6% | 0.064 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.4 | -43.5 | 170.5 | -73.1 | 114.1 | 0 | 0 | 0 | 112.6 | Y57 M62 T69 F72 K73 D74 A79 Y80 R81 | Y57-W77 HydrophobicContact CE1-CH2 4.25Å; Y57-W77 HydrophobicContact CE1-CZ2 4.17Å; M62-W77 HydrophobicContact CE-CH2 3.42Å; M62-W77 VanDerWaalsContact CE-CH2 3.42Å; M62-W77 HydrophobicContact CE-CZ3 3.43Å; M62-W77 VanDerWaalsContact CE-CZ3 3.43Å; T69-W77 HydrophobicContact CG2-CH2 3.94Å; T69-W77 HydrophobicContact CG2-CZ2 4.36Å; T69-W77 HydrophobicContact CG2-CZ3 4.45Å; F72-W77 HydrophobicContact CB-CD2 4.46Å; F72-W77 HydrophobicContact CB-CG 4.48Å; F72-W77 HydrophobicContact CB-CZ2 4.48Å; F72-W77 HydrophobicContact CD2-CD2 4.13Å; F72-W77 HydrophobicContact CD2-CE3 4.36Å; K73-W77 PolarHBondContact O-N 3.49Å; K73-W77 VanDerWaalsContact O-N 3.15Å; D74-W77 WeakPolarHBondContact O-CB 3.25Å; D74-W77 PolarHBondContact O-N 3.01Å; W77-A79 VanDerWaalsContact C-N 3.3Å; W77-A79 PolarHBondContact O-N 3.03Å; W77-Y80 AromaticContact CE3-CD1 3.96Å; W77-Y80 HydrophobicContact CE3-CD1 3.96Å; W77-Y80 HydrophobicContact CZ3-CD1 4.07Å; W77-Y80 HydrophobicContact CZ3-CE1 4.23Å; W77-Y80 PolarHBondContact O-N 2.87Å; W77-R81 WeakPolarHBondContact O-CG 3.48Å; W77-R81 PolarHBondContact O-N 3.4Å |
| 78 | D | 89.3 | Confident | 89.4 | Confident | 14 Ų | 14 | 33.9 Ų | 33.9 | 8% | 0.075 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.6 | -41.9 | 176.2 | -62.1 | -30.2 | 0 | 0 | 0 | 111.4 | D74 R81 N82 G691 R693 | D74-D78 PolarHBondContact O-N 2.92Å; D78-R81 IonicContact OD1-CZ 3.61Å; D78-R81 IonicContact OD1-NH1 3.44Å; D78-R81 IonicContact OD1-NH2 3.83Å; D78-R81 PolarHBondContact OD1-NH2 2.98Å; D78-N82 PolarHBondContact O-N 3.46Å; D78-N82 VanDerWaalsContact O-N 3.13Å; D78-G691 VanDerWaalsContact O-CA 3.26Å; D78-G691 WeakPolarHBondContact O-CA 3.33Å; D78-R693 HydrophobicContact CB-CG 3.72Å; D78-R693 VanDerWaalsContact OD2-CA 3.25Å; D78-R693 WeakPolarHBondContact OD2-CA 3.46Å; D78-R693 VanDerWaalsContact OD2-CB 3.29Å; D78-R693 WeakPolarHBondContact OD2-CB 3.41Å; D78-R693 WeakPolarHBondContact OD2-CG 3.37Å |
| 79 | A | 88.4 | Confident | 89.4 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -72 | -36.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | A75 D76 W77 N82 N83 L236 | A75-A79 WeakPolarHBondContact O-CB 3.28Å; A75-A79 PolarHBondContact O-N 3.04Å; D76-A79 PolarHBondContact O-N 3.18Å; W77-A79 VanDerWaalsContact C-N 3.3Å; W77-A79 PolarHBondContact O-N 3.03Å; A79-N82 PolarHBondContact O-N 3.34Å; A79-N83 PolarHBondContact O-N 3.49Å; A79-N83 VanDerWaalsContact O-N 3.08Å; A79-N83 PolarHBondContact O-ND2 3.08Å; A79-L236 HydrophobicContact CB-CB 4.34Å; A79-L236 HydrophobicContact CB-CD2 3.84Å |
| 80 | Y | 90.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.9 | -48.1 | 172.6 | 170.1 | -115.8 | 0 | 0 | 0 | 111.1 | I51 M62 I64 D76 W77 N82 N83 S84 I85 F234 | I51-Y80 VanDerWaalsContact O-CE1 3.3Å; I51-Y80 WeakPolarHBondContact O-CE1 3.46Å; I51-Y80 PolarHBondContact O-OH 3.47Å; M62-Y80 HydrophobicContact CE-CE1 4.27Å; I64-Y80 HydrophobicContact CD1-CD1 4.39Å; I64-Y80 HydrophobicContact CD1-CD2 3.72Å; I64-Y80 HydrophobicContact CD1-CE1 4.09Å; I64-Y80 HydrophobicContact CD1-CE2 3.39Å; I64-Y80 HydrophobicContact CD1-CG 4.19Å; I64-Y80 HydrophobicContact CG1-CE2 4.13Å; I64-Y80 HydrophobicContact CG2-CE2 4.1Å; D76-Y80 WeakPolarHBondContact O-CB 3.34Å; D76-Y80 PolarHBondContact O-N 2.91Å; W77-Y80 AromaticContact CE3-CD1 3.96Å; W77-Y80 HydrophobicContact CE3-CD1 3.96Å; W77-Y80 HydrophobicContact CZ3-CD1 4.07Å; W77-Y80 HydrophobicContact CZ3-CE1 4.23Å; W77-Y80 PolarHBondContact O-N 2.87Å; Y80-N82 VanDerWaalsContact C-N 3.3Å; Y80-N82 PolarHBondContact O-N 2.93Å; Y80-N83 PolarHBondContact O-N 3.19Å; Y80-S84 PolarHBondContact O-N 2.96Å; Y80-I85 HydrophobicContact CD1-CG1 3.99Å; Y80-I85 HydrophobicContact CD2-CG1 4.36Å; Y80-I85 HydrophobicContact CE1-CD1 3.83Å; Y80-I85 HydrophobicContact CE1-CG1 3.53Å; Y80-I85 HydrophobicContact CE2-CD1 3.87Å; Y80-I85 HydrophobicContact CE2-CG1 3.91Å; Y80-I85 HydrophobicContact CG-CG1 4.42Å; Y80-I85 PolarHBondContact O-N 3.03Å; Y80-I85 WeakPolarHBondContact OH-CD1 3.34Å; Y80-F234 HydrophobicContact CD2-CZ 4.13Å |
| 81 | R | 91.7 | Very high | 89.1 | Confident | 21 Ų | 21 | 33.4 Ų | 33.4 | 8% | 0.079 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61 | -37.1 | 177.5 | -73.6 | -160.1 | -56.2 | -76.8 | -9.3 | 113.7 | G52 G53 W77 D78 K688 | G52-R81 WeakPolarHBondContact O-CD 3.45Å; G52-R81 WeakPolarHBondContact O-CG 3.49Å; G53-R81 WeakPolarHBondContact O-CD 3.47Å; G53-R81 PolarHBondContact O-NH1 2.93Å; W77-R81 WeakPolarHBondContact O-CG 3.48Å; W77-R81 PolarHBondContact O-N 3.4Å; D78-R81 IonicContact OD1-CZ 3.61Å; D78-R81 IonicContact OD1-NH1 3.44Å; D78-R81 IonicContact OD1-NH2 3.83Å; D78-R81 PolarHBondContact OD1-NH2 2.98Å; R81-K688 PolarHBondContact NE-O 3.2Å; R81-K688 PolarHBondContact NH2-O 3.4Å; R81-K688 VanDerWaalsContact NH2-O 3.14Å |
| 82 | N | 89.6 | Confident | 89.3 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.011 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -76.5 | -39.9 | -178 | -169.6 | -106.6 | 0 | 0 | 0 | 113.1 | D78 A79 Y80 G107 S111 N158 T239 L690 | D78-N82 PolarHBondContact O-N 3.46Å; D78-N82 VanDerWaalsContact O-N 3.13Å; A79-N82 PolarHBondContact O-N 3.34Å; Y80-N82 VanDerWaalsContact C-N 3.3Å; Y80-N82 PolarHBondContact O-N 2.93Å; N82-G107 PolarHBondContact ND2-O 3.02Å; N82-S111 WeakPolarHBondContact OD1-CB 2.97Å; N82-N158 PolarHBondContact ND2-ND2 3.35Å; N82-N158 WeakPolarHBondContact O-CB 3.3Å; N82-N158 PolarHBondContact O-ND2 2.84Å; N82-T239 HydrophobicContact CB-CG2 3.56Å; N82-L690 PolarHBondContact ND2-O 2.94Å |
| 83 | N | 88.5 | Confident | 89.3 | Confident | 40 Ų | 40 | 30.1 Ų | 30.1 | 21% | 0.214 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -100.4 | -35.3 | -169.7 | -58.8 | -64.9 | 0 | 0 | 0 | 114 | A79 Y80 K237 | A79-N83 PolarHBondContact O-N 3.49Å; A79-N83 VanDerWaalsContact O-N 3.08Å; A79-N83 PolarHBondContact O-ND2 3.08Å; Y80-N83 PolarHBondContact O-N 3.19Å; N83-K237 PolarHBondContact ND2-O 3.39Å |
| 84 | S | 89.2 | Confident | 89.5 | Confident | 7 Ų | 7 | 23.6 Ų | 23.6 | 5% | 0.049 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -15.6 | -170.3 | -66.3 | 0 | 0 | 0 | 0 | 113.7 | Y80 D161 I162 | Y80-S84 PolarHBondContact O-N 2.96Å; S84-D161 WeakPolarHBondContact CB-OD2 3.28Å; S84-D161 PolarHBondContact O-N 3.23Å; S84-D161 PolarHBondContact OG-OD2 2.87Å; S84-I162 PolarHBondContact O-N 3.15Å |
| 85 | I | 92.9 | Very high | 89.6 | Confident | 11 Ų | 11 | 20.1 Ų | 20.1 | 6% | 0.056 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124.3 | -178.8 | -59.8 | -59.5 | 0 | 0 | 0 | 111 | Y80 F87 I162 L164 | Y80-I85 HydrophobicContact CD1-CG1 3.99Å; Y80-I85 HydrophobicContact CD2-CG1 4.36Å; Y80-I85 HydrophobicContact CE1-CD1 3.83Å; Y80-I85 HydrophobicContact CE1-CG1 3.53Å; Y80-I85 HydrophobicContact CE2-CD1 3.87Å; Y80-I85 HydrophobicContact CE2-CG1 3.91Å; Y80-I85 HydrophobicContact CG-CG1 4.42Å; Y80-I85 PolarHBondContact O-N 3.03Å; Y80-I85 WeakPolarHBondContact OH-CD1 3.34Å; I85-F87 HydrophobicContact CG2-CB 4.49Å; I85-F87 HydrophobicContact CG2-CD2 4.37Å; I85-I162 CarbonylContact C-O 3.52Å; I85-I162 WeakPolarHBondContact CA-O 3.36Å; I85-I162 HydrophobicContact CD1-CB 3.79Å; I85-I162 HydrophobicContact CD1-CD1 4.1Å; I85-I162 HydrophobicContact CD1-CG1 4.39Å; I85-I162 HydrophobicContact CD1-CG2 4.16Å; I85-L164 HydrophobicContact CD1-CD1 4.26Å; I85-L164 HydrophobicContact CG2-CD1 3.86Å; I85-L164 HydrophobicContact CG2-CG 4.32Å |
| 86 | G | 92.7 | Very high | 89.6 | Confident | 2 Ų | 2 | 22.3 Ų | 22.3 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 125.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | I162 L163 L164 | G86-I162 PolarHBondContact N-O 3.34Å; G86-L163 CarbonylContact O-C 3.56Å; G86-L163 WeakPolarHBondContact O-CA 3.48Å; G86-L164 PolarHBondContact O-N 3.11Å |
| 87 | F | 92.8 | Very high | 89.3 | Confident | 8 Ų | 8 | 23.3 Ų | 23.3 | 4% | 0.035 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.4 | -177.8 | -151.7 | -69.1 | 0 | 0 | 0 | 111.6 | L48 N49 L54 I85 F89 L164 D166 | L48-F87 HydrophobicContact CD2-CD2 4.26Å; L48-F87 HydrophobicContact CD2-CE1 3.75Å; L48-F87 HydrophobicContact CD2-CE2 3.26Å; L48-F87 HydrophobicContact CD2-CZ 2.97Å; L48-F87 HydrophobicContact CG-CZ 4.47Å; N49-F87 WeakPolarHBondContact OD1-CZ 3.47Å; L54-F87 HydrophobicContact CD1-CD2 3.73Å; L54-F87 HydrophobicContact CD1-CE1 4.32Å; L54-F87 HydrophobicContact CD1-CE2 3.23Å; L54-F87 HydrophobicContact CD1-CG 4.41Å; L54-F87 HydrophobicContact CD1-CZ 3.53Å; L54-F87 HydrophobicContact CG-CD2 4.36Å; L54-F87 HydrophobicContact CG-CE2 4.04Å; I85-F87 HydrophobicContact CG2-CB 4.49Å; I85-F87 HydrophobicContact CG2-CD2 4.37Å; F87-F89 HydrophobicContact CB-CE2 4.2Å; F87-F89 HydrophobicContact CB-CZ 4.19Å; F87-F89 AromaticContact CD1-CD1 3.46Å; F87-F89 HydrophobicContact CD1-CD1 3.46Å; F87-F89 VanDerWaalsContact CD1-CD1 3.46Å; F87-F89 AromaticContact CD1-CD2 3.85Å; F87-F89 HydrophobicContact CD1-CD2 3.85Å; F87-F89 AromaticContact CD1-CE1 3.21Å; F87-F89 HydrophobicContact CD1-CE1 3.21Å; F87-F89 AromaticContact CD1-CE2 3.65Å; F87-F89 HydrophobicContact CD1-CE2 3.65Å; F87-F89 AromaticContact CD1-CG 3.75Å; F87-F89 HydrophobicContact CD1-CG 3.75Å; F87-F89 AromaticContact CD1-CZ 3.31Å; F87-F89 HydrophobicContact CD1-CZ 3.31Å; F87-F89 AromaticContact CE1-CD1 3.19Å; F87-F89 HydrophobicContact CE1-CD1 3.19Å; F87-F89 HydrophobicContact CE1-CD2 4.43Å; F87-F89 AromaticContact CE1-CE1 3.06Å; F87-F89 HydrophobicContact CE1-CE1 3.06Å; F87-F89 HydrophobicContact CE1-CE2 4.36Å; F87-F89 AromaticContact CE1-CG 3.9Å; F87-F89 HydrophobicContact CE1-CG 3.9Å; F87-F89 AromaticContact CE1-CZ 3.71Å; F87-F89 HydrophobicContact CE1-CZ 3.71Å; F87-F89 HydrophobicContact CE2-CE1 4.48Å; F87-F89 HydrophobicContact CG-CE1 4.01Å; F87-F89 HydrophobicContact CG-CE2 4.17Å; F87-F89 AromaticContact CG-CZ 3.77Å; F87-F89 HydrophobicContact CG-CZ 3.77Å; F87-F89 HydrophobicContact CZ-CD1 4.16Å; F87-F89 AromaticContact CZ-CE1 3.72Å; F87-F89 HydrophobicContact CZ-CE1 3.72Å; F87-F89 HydrophobicContact CZ-CZ 4.39Å; F87-L164 HydrophobicContact CD2-CB 4.12Å; F87-L164 HydrophobicContact CD2-CD1 4.02Å; F87-L164 HydrophobicContact CE2-CB 4.36Å; F87-L164 HydrophobicContact CE2-CD1 4.14Å; F87-D166 HydrophobicContact CE1-CB 4.49Å |
| 88 | V | 92.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 112.2 | 174.7 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | A151 I152 A155 L163 L164 C165 D166 | V88-A151 HydrophobicContact CG1-CB 4.46Å; V88-I152 HydrophobicContact CG1-CG1 4.13Å; V88-I152 HydrophobicContact CG2-CG1 4.04Å; V88-A155 HydrophobicContact CG2-CB 3.8Å; V88-L163 HydrophobicContact CG2-CD1 3.94Å; V88-L164 PolarHBondContact N-O 3.12Å; V88-C165 HydrophobicContact CB-CB 4.46Å; V88-D166 PolarHBondContact O-N 3.46Å |
| 89 | F | 90.3 | Very high | 89.2 | Confident | 11 Ų | 11 | 23.2 Ų | 23.2 | 5% | 0.048 | 13% | 0.132 | C | C | . | . | trans | -90.4 | 149.9 | -177.8 | -62.7 | -80.8 | 0 | 0 | 0 | 111.7 | L54 F87 S91 Y92 N93 A689 L779 | L54-F89 HydrophobicContact CD1-CE1 4Å; L54-F89 HydrophobicContact CD1-CZ 4.2Å; F87-F89 HydrophobicContact CB-CE2 4.2Å; F87-F89 HydrophobicContact CB-CZ 4.19Å; F87-F89 AromaticContact CD1-CD1 3.46Å; F87-F89 HydrophobicContact CD1-CD1 3.46Å; F87-F89 VanDerWaalsContact CD1-CD1 3.46Å; F87-F89 AromaticContact CD1-CD2 3.85Å; F87-F89 HydrophobicContact CD1-CD2 3.85Å; F87-F89 AromaticContact CD1-CE1 3.21Å; F87-F89 HydrophobicContact CD1-CE1 3.21Å; F87-F89 AromaticContact CD1-CE2 3.65Å; F87-F89 HydrophobicContact CD1-CE2 3.65Å; F87-F89 AromaticContact CD1-CG 3.75Å; F87-F89 HydrophobicContact CD1-CG 3.75Å; F87-F89 AromaticContact CD1-CZ 3.31Å; F87-F89 HydrophobicContact CD1-CZ 3.31Å; F87-F89 AromaticContact CE1-CD1 3.19Å; F87-F89 HydrophobicContact CE1-CD1 3.19Å; F87-F89 HydrophobicContact CE1-CD2 4.43Å; F87-F89 AromaticContact CE1-CE1 3.06Å; F87-F89 HydrophobicContact CE1-CE1 3.06Å; F87-F89 HydrophobicContact CE1-CE2 4.36Å; F87-F89 AromaticContact CE1-CG 3.9Å; F87-F89 HydrophobicContact CE1-CG 3.9Å; F87-F89 AromaticContact CE1-CZ 3.71Å; F87-F89 HydrophobicContact CE1-CZ 3.71Å; F87-F89 HydrophobicContact CE2-CE1 4.48Å; F87-F89 HydrophobicContact CG-CE1 4.01Å; F87-F89 HydrophobicContact CG-CE2 4.17Å; F87-F89 AromaticContact CG-CZ 3.77Å; F87-F89 HydrophobicContact CG-CZ 3.77Å; F87-F89 HydrophobicContact CZ-CD1 4.16Å; F87-F89 AromaticContact CZ-CE1 3.72Å; F87-F89 HydrophobicContact CZ-CE1 3.72Å; F87-F89 HydrophobicContact CZ-CZ 4.39Å; F89-S91 PolarHBondContact O-N 2.89Å; F89-Y92 PolarHBondContact O-N 2.73Å; F89-Y92 VanDerWaalsContact O-N 3.16Å; F89-N93 HydrophobicContact CB-CB 4.27Å; F89-N93 VanDerWaalsContact CB-ND2 3.35Å; F89-N93 WeakPolarHBondContact CB-ND2 3.3Å; F89-N93 WeakPolarHBondContact CD1-ND2 3.32Å; F89-N93 HydrophobicContact CD2-CB 3.95Å; F89-N93 HydrophobicContact CG-CB 4.2Å; F89-N93 WeakPolarHBondContact CG-ND2 3.25Å; F89-A689 HydrophobicContact CE2-CB 4.21Å; F89-A689 HydrophobicContact CZ-CB 3.65Å; F89-L779 HydrophobicContact CD1-CD1 4.28Å; F89-L779 HydrophobicContact CE1-CD1 3.41Å; F89-L779 VanDerWaalsContact CE1-CD1 3.41Å; F89-L779 HydrophobicContact CZ-CD1 3.66Å | ||
| 90 | Q | 87.4 | Confident | 89.4 | Confident | 78 Ų | 78 | 23.2 Ų | 23.2 | 36% | 0.364 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -45.4 | 174.9 | -174.9 | 175.2 | 15.3 | 0 | 0 | 113.2 | Y92 D166 E167 | Q90-Y92 VanDerWaalsContact C-N 3.3Å; Q90-Y92 PolarHBondContact O-N 3.09Å; Q90-D166 VanDerWaalsContact CA-O 3.24Å; Q90-D166 WeakPolarHBondContact CA-O 3.39Å; Q90-D166 WeakPolarHBondContact CB-O 3.45Å; Q90-D166 PolarHBondContact N-O 2.83Å; Q90-D166 VanDerWaalsContact N-O 3.08Å; Q90-E167 HydrophobicContact CB-CB 4.35Å; Q90-E167 HydrophobicContact CG-CB 3.98Å; Q90-E167 PolarHBondContact NE2-OE2 3.12Å |
| 91 | S | 83.9 | Confident | 89.5 | Confident | 70 Ų | 70 | 24.4 Ų | 24.4 | 49% | 0.49 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 18.8 | -179 | -45.2 | 0 | 0 | 0 | 0 | 114.3 | F89 N93 | F89-S91 PolarHBondContact O-N 2.89Å; S91-N93 PolarHBondContact O-N 3.02Å |
| 92 | Y | 88.6 | Confident | 89.4 | Confident | 34 Ų | 34 | 26.1 Ų | 26.1 | 13% | 0.133 | 15% | 0.149 | C | C | . | . | trans | 65.7 | -43.3 | -173.2 | -37.8 | -63.3 | 0 | 0 | 0 | 114.7 | F89 Q90 L94 G144 M147 Q148 R154 L172 | F89-Y92 PolarHBondContact O-N 2.73Å; F89-Y92 VanDerWaalsContact O-N 3.16Å; Q90-Y92 VanDerWaalsContact C-N 3.3Å; Q90-Y92 PolarHBondContact O-N 3.09Å; Y92-L94 PolarHBondContact O-N 2.92Å; Y92-G144 WeakPolarHBondContact CE1-O 3.44Å; Y92-M147 HydrophobicContact CD1-CB 4.02Å; Y92-M147 HydrophobicContact CD2-CB 4.07Å; Y92-M147 HydrophobicContact CD2-SD 4Å; Y92-M147 HydrophobicContact CE1-CB 4.42Å; Y92-M147 HydrophobicContact CE2-CB 4.39Å; Y92-M147 HydrophobicContact CE2-SD 4.27Å; Y92-M147 HydrophobicContact CG-CB 3.89Å; Y92-Q148 HydrophobicContact CD1-CB 4.03Å; Y92-Q148 HydrophobicContact CE1-CB 3.74Å; Y92-Q148 HydrophobicContact CE1-CG 4.35Å; Y92-R154 PolarHBondContact O-NH2 2.82Å; Y92-L172 WeakPolarHBondContact OH-CD2 3.29Å | ||
| 93 | N | 88.6 | Confident | 89.6 | Confident | 14 Ų | 14 | 26 Ų | 26 | 8% | 0.075 | 15% | 0.148 | C | C | . | . | trans | 47.4 | 42.9 | -175.8 | -67.7 | -28.3 | 0 | 0 | 0 | 112.4 | F89 S91 R154 K682 V686 L779 | F89-N93 HydrophobicContact CB-CB 4.27Å; F89-N93 VanDerWaalsContact CB-ND2 3.35Å; F89-N93 WeakPolarHBondContact CB-ND2 3.3Å; F89-N93 WeakPolarHBondContact CD1-ND2 3.32Å; F89-N93 HydrophobicContact CD2-CB 3.95Å; F89-N93 HydrophobicContact CG-CB 4.2Å; F89-N93 WeakPolarHBondContact CG-ND2 3.25Å; S91-N93 PolarHBondContact O-N 3.02Å; N93-R154 PolarHBondContact O-NH1 3.16Å; N93-K682 WeakPolarHBondContact OD1-CE 3.23Å; N93-V686 HydrophobicContact CB-CG2 3.71Å; N93-V686 VanDerWaalsContact O-CG2 3.31Å; N93-V686 WeakPolarHBondContact O-CG2 3.19Å; N93-L779 HydrophobicContact CB-CD2 4.49Å | ||
| 94 | L | 91 | Very high | 89.8 | Confident | 22 Ų | 22 | 24.1 Ų | 24.1 | 12% | 0.115 | 14% | 0.138 | C | C | . | . | trans | -77.7 | 144.4 | 172.9 | -59.8 | 178.8 | 0 | 0 | 0 | 109.9 | Y92 S96 P139 M147 V150 A151 | Y92-L94 PolarHBondContact O-N 2.92Å; L94-S96 PolarHBondContact O-N 3.09Å; L94-P139 HydrophobicContact CB-CB 4.4Å; L94-P139 HydrophobicContact CB-CG 4.27Å; L94-P139 HydrophobicContact CD1-CB 4.34Å; L94-M147 HydrophobicContact CD1-CB 4.02Å; L94-M147 HydrophobicContact CD1-CG 4.25Å; L94-V150 HydrophobicContact CD1-CB 4.01Å; L94-V150 HydrophobicContact CD1-CG1 3.94Å; L94-V150 HydrophobicContact CD2-CB 4.42Å; L94-V150 HydrophobicContact CD2-CG1 3.8Å; L94-A151 HydrophobicContact CD2-CB 4.43Å | ||
| 95 | I | 88.3 | Confident | 89.9 | Confident | 9 Ų | 9 | 24.6 Ų | 24.6 | 5% | 0.046 | 14% | 0.139 | C | C | . | . | trans | -81.1 | 102.9 | 174.7 | -58.3 | -176.6 | 0 | 0 | 0 | 107.9 | H97 L98 N103 L106 V686 | I95-H97 WeakPolarHBondContact CG2-CE1 2.98Å; I95-H97 WeakPolarHBondContact CG2-ND1 3.44Å; I95-H97 PolarHBondContact O-N 3.31Å; I95-H97 VanDerWaalsContact O-N 3.13Å; I95-L98 HydrophobicContact CB-CB 4.47Å; I95-L98 HydrophobicContact CB-CD1 3.99Å; I95-L98 HydrophobicContact CB-CG 4.22Å; I95-L98 HydrophobicContact CD1-CD1 4.06Å; I95-L98 HydrophobicContact CG2-CB 4.37Å; I95-L98 HydrophobicContact CG2-CD1 3.88Å; I95-L98 HydrophobicContact CG2-CG 3.78Å; I95-L98 PolarHBondContact O-N 3.37Å; I95-L98 VanDerWaalsContact O-N 3.13Å; I95-N103 PolarHBondContact N-OD1 2.7Å; I95-N103 PolarHBondContact O-ND2 3.12Å; I95-L106 HydrophobicContact CD1-CD2 3.57Å; I95-V686 HydrophobicContact CG1-CG1 4.44Å | ||
| 96 | S | 86.5 | Confident | 89.8 | Confident | 84 Ų | 84 | 24.2 Ų | 24.2 | 59% | 0.587 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.5 | -169.3 | -52 | 0 | 0 | 0 | 0 | 115.1 | L94 | L94-S96 PolarHBondContact O-N 3.09Š|
| 97 | H | 82.2 | Confident | 89.5 | Confident | 46 Ų | 46 | 24.2 Ų | 24.2 | 21% | 0.213 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -9.9 | -176.5 | 69.1 | -102.1 | 0 | 0 | 0 | 113.7 | I95 N253 T256 E683 | I95-H97 WeakPolarHBondContact CG2-CE1 2.98Å; I95-H97 WeakPolarHBondContact CG2-ND1 3.44Å; I95-H97 PolarHBondContact O-N 3.31Å; I95-H97 VanDerWaalsContact O-N 3.13Å; H97-N253 PolarHBondContact NE2-OD1 3.44Å; H97-T256 HydrophobicContact CB-CG2 3.83Å; H97-E683 IonicContact CE1-OE1 2.7Å; H97-E683 PolarHBondContact CE1-OE1 3.22Å; H97-E683 IonicContact CE1-OE2 2.72Å; H97-E683 IonicContact ND1-OE1 2.62Å; H97-E683 PolarHBondContact ND1-OE1 3.49Å; H97-E683 VanDerWaalsContact ND1-OE1 3.17Å |
| 98 | L | 87.1 | Confident | 89.4 | Confident | 13 Ų | 13 | 23.9 Ų | 23.9 | 7% | 0.068 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -92.2 | 155.3 | 174.2 | -64.9 | -177.9 | 0 | 0 | 0 | 110.6 | I95 D102 P139 | I95-L98 HydrophobicContact CB-CB 4.47Å; I95-L98 HydrophobicContact CB-CD1 3.99Å; I95-L98 HydrophobicContact CB-CG 4.22Å; I95-L98 HydrophobicContact CD1-CD1 4.06Å; I95-L98 HydrophobicContact CG2-CB 4.37Å; I95-L98 HydrophobicContact CG2-CD1 3.88Å; I95-L98 HydrophobicContact CG2-CG 3.78Å; I95-L98 PolarHBondContact O-N 3.37Å; I95-L98 VanDerWaalsContact O-N 3.13Å; L98-D102 HydrophobicContact CB-CB 3.96Å; L98-P139 WeakPolarHBondContact O-CD 3.34Å |
| 99 | G | 89.9 | Confident | 89 | Confident | 16 Ų | 16 | 24.7 Ų | 24.7 | 17% | 0.165 | 14% | 0.141 | C | C | . | . | trans | -65.4 | 165.8 | 169 | 0 | 0 | 0 | 0 | 0 | 111.6 | D102 N103 | G99-D102 PolarHBondContact N-OD2 3.47Å; G99-D102 PolarHBondContact O-N 2.86Å; G99-N103 PolarHBondContact O-N 2.94Å; G99-N103 PolarHBondContact O-ND2 3.32Å | ||
| 100 | I | 92.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 175.1 | -70.9 | 156.6 | 0 | 0 | 0 | 110.5 | D102 N103 V104 L126 H134 K137 L142 V150 | I100-D102 VanDerWaalsContact C-N 3.33Å; I100-D102 PolarHBondContact O-N 3.47Å; I100-N103 WeakPolarHBondContact O-CB 3.48Å; I100-N103 PolarHBondContact O-N 2.81Å; I100-N103 VanDerWaalsContact O-N 3.16Å; I100-V104 WeakPolarHBondContact O-CG2 3.4Å; I100-V104 PolarHBondContact O-N 3.47Å; I100-V104 VanDerWaalsContact O-N 3.12Å; I100-L126 HydrophobicContact CG2-CD1 3.99Å; I100-L126 HydrophobicContact CG2-CD2 3.6Å; I100-L126 HydrophobicContact CG2-CG 4.48Å; I100-H134 WeakPolarHBondContact CD1-O 3.06Å; I100-K137 VanDerWaalsContact CD1-C 3.49Å; I100-K137 HydrophobicContact CD1-CB 3.61Å; I100-K137 VanDerWaalsContact CD1-O 3.26Å; I100-K137 WeakPolarHBondContact CD1-O 3.31Å; I100-K137 VanDerWaalsContact CG1-O 3.26Å; I100-K137 WeakPolarHBondContact CG1-O 3.23Å; I100-K137 PolarHBondContact N-O 2.87Å; I100-L142 HydrophobicContact CD1-CD1 3.45Å; I100-L142 VanDerWaalsContact CD1-CD1 3.45Å; I100-L142 HydrophobicContact CD1-CD2 3.89Å; I100-L142 HydrophobicContact CD1-CG 3.81Å; I100-L142 HydrophobicContact CG1-CD1 3.93Å; I100-V150 HydrophobicContact CG1-CG2 4.21Å; I100-V150 HydrophobicContact CG2-CB 4.42Å; I100-V150 HydrophobicContact CG2-CG1 3.88Å; I100-V150 HydrophobicContact CG2-CG2 3.58Å |
| 101 | I | 92.9 | Very high | 88.4 | Confident | 24 Ų | 24 | 22 Ų | 22 | 12% | 0.123 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.2 | -45.9 | 176.3 | -160.4 | 167.4 | 0 | 0 | 0 | 111.5 | N103 V104 E105 Q119 A122 E123 M135 | I101-N103 VanDerWaalsContact C-N 3.31Å; I101-N103 PolarHBondContact O-N 3.36Å; I101-V104 PolarHBondContact O-N 2.8Å; I101-V104 VanDerWaalsContact O-N 3.09Å; I101-E105 HydrophobicContact CG1-CG 4.35Å; I101-E105 WeakPolarHBondContact O-CB 3.49Å; I101-E105 VanDerWaalsContact O-CG 3.26Å; I101-E105 WeakPolarHBondContact O-CG 3.29Å; I101-E105 PolarHBondContact O-N 3Å; I101-Q119 HydrophobicContact CD1-CG 4.2Å; I101-A122 HydrophobicContact CG1-CB 4.1Å; I101-E123 HydrophobicContact CD1-CG 4.04Å; I101-M135 PolarHBondContact N-O 2.85Å |
| 102 | D | 90.5 | Very high | 88.2 | Confident | 57 Ų | 57 | 21 Ų | 21 | 31% | 0.305 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -61.9 | -36.5 | 178.2 | -68 | -48.5 | 0 | 0 | 0 | 112.7 | L98 G99 I100 V104 E105 L106 | L98-D102 HydrophobicContact CB-CB 3.96Å; G99-D102 PolarHBondContact N-OD2 3.47Å; G99-D102 PolarHBondContact O-N 2.86Å; I100-D102 VanDerWaalsContact C-N 3.33Å; I100-D102 PolarHBondContact O-N 3.47Å; D102-V104 VanDerWaalsContact C-N 3.34Å; D102-E105 PolarHBondContact O-N 2.88Å; D102-L106 PolarHBondContact O-N 3.46Å; D102-L106 VanDerWaalsContact O-N 3.16Å |
| 103 | N | 92.1 | Very high | 88 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 175.3 | -91.8 | -83.9 | 0 | 0 | 0 | 111.5 | I95 G99 I100 I101 L106 R154 | I95-N103 PolarHBondContact N-OD1 2.7Å; I95-N103 PolarHBondContact O-ND2 3.12Å; G99-N103 PolarHBondContact O-N 2.94Å; G99-N103 PolarHBondContact O-ND2 3.32Å; I100-N103 WeakPolarHBondContact O-CB 3.48Å; I100-N103 PolarHBondContact O-N 2.81Å; I100-N103 VanDerWaalsContact O-N 3.16Å; I101-N103 VanDerWaalsContact C-N 3.31Å; I101-N103 PolarHBondContact O-N 3.36Å; N103-L106 WeakPolarHBondContact O-CB 3.48Å; N103-R154 VanDerWaalsContact O-CD 3.31Å; N103-R154 WeakPolarHBondContact O-CD 3.41Å; N103-R154 VanDerWaalsContact O-CG 3.31Å; N103-R154 WeakPolarHBondContact O-CG 3.16Å |
| 104 | V | 93.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72.2 | -39.1 | 178.5 | 178 | 0 | 0 | 0 | 0 | 110.9 | I100 I101 D102 L106 A122 A125 L126 V150 A153 R154 A157 | I100-V104 WeakPolarHBondContact O-CG2 3.4Å; I100-V104 PolarHBondContact O-N 3.47Å; I100-V104 VanDerWaalsContact O-N 3.12Å; I101-V104 PolarHBondContact O-N 2.8Å; I101-V104 VanDerWaalsContact O-N 3.09Å; D102-V104 VanDerWaalsContact C-N 3.34Å; V104-L106 PolarHBondContact O-N 2.95Å; V104-A122 HydrophobicContact CB-CB 4.19Å; V104-A122 HydrophobicContact CG1-CB 3.76Å; V104-A125 HydrophobicContact CG1-CB 4.25Å; V104-L126 HydrophobicContact CG2-CD1 4.27Å; V104-L126 HydrophobicContact CG2-CD2 3.95Å; V104-L126 HydrophobicContact CG2-CG 4.08Å; V104-V150 HydrophobicContact CG2-CG1 4.22Å; V104-A153 HydrophobicContact CG1-CB 4.47Å; V104-A153 HydrophobicContact CG2-CB 4.02Å; V104-R154 HydrophobicContact CG2-CB 4.36Å; V104-A157 HydrophobicContact CG1-CB 3.73Å; V104-A157 WeakPolarHBondContact O-CB 3.25Å |
| 105 | E | 92.2 | Very high | 87.7 | Confident | 17 Ų | 17 | 29.6 Ų | 29.6 | 8% | 0.079 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.6 | -12.2 | 177 | -72 | -171.9 | 179.5 | 0 | 0 | 114.3 | I101 D102 G107 M108 T109 K118 Q119 A122 | I101-E105 HydrophobicContact CG1-CG 4.35Å; I101-E105 WeakPolarHBondContact O-CB 3.49Å; I101-E105 VanDerWaalsContact O-CG 3.26Å; I101-E105 WeakPolarHBondContact O-CG 3.29Å; I101-E105 PolarHBondContact O-N 3Å; D102-E105 PolarHBondContact O-N 2.88Å; E105-G107 PolarHBondContact O-N 2.62Å; E105-M108 HydrophobicContact CG-CE 4.45Å; E105-M108 PolarHBondContact O-N 3.41Å; E105-T109 WeakPolarHBondContact O-CB 3.26Å; E105-T109 PolarHBondContact O-N 3.13Å; E105-T109 PolarHBondContact O-OG1 2.71Å; E105-K118 HydrophobicContact CB-CD 3.87Å; E105-K118 HydrophobicContact CB-CG 3.81Å; E105-K118 HydrophobicContact CG-CD 4.22Å; E105-K118 HydrophobicContact CG-CG 3.68Å; E105-K118 WeakPolarHBondContact OE2-CE 3.26Å; E105-K118 IonicContact OE2-NZ 2.85Å; E105-K118 PolarHBondContact OE2-NZ 3.36Å; E105-Q119 WeakPolarHBondContact OE1-CA 3.4Å; E105-A122 HydrophobicContact CG-CB 3.56Å |
| 106 | L | 89.1 | Confident | 87.7 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62 | -43.9 | -169.7 | -168.8 | 60 | 0 | 0 | 0 | 112.2 | I95 D102 N103 V104 M108 T109 L110 L249 L687 L690 | I95-L106 HydrophobicContact CD1-CD2 3.57Å; D102-L106 PolarHBondContact O-N 3.46Å; D102-L106 VanDerWaalsContact O-N 3.16Å; N103-L106 WeakPolarHBondContact O-CB 3.48Å; V104-L106 PolarHBondContact O-N 2.95Å; L106-M108 PolarHBondContact O-N 2.91Å; L106-T109 WeakPolarHBondContact O-CB 3.26Å; L106-T109 PolarHBondContact O-N 2.99Å; L106-L110 WeakPolarHBondContact O-CG 3.22Å; L106-L110 PolarHBondContact O-N 2.93Å; L106-L249 HydrophobicContact CD1-CD2 4.41Å; L106-L687 HydrophobicContact CD1-CD2 3.83Å; L106-L687 HydrophobicContact CD2-CD2 3.83Å; L106-L687 HydrophobicContact CG-CD2 3.99Å; L106-L690 HydrophobicContact CB-CD1 3.97Å; L106-L690 HydrophobicContact CD2-CD1 3.55Å; L106-L690 HydrophobicContact CG-CD1 3.77Å |
| 107 | G | 87.7 | Confident | 87.9 | Confident | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | N82 E105 T109 L110 S111 N158 | N82-G107 PolarHBondContact ND2-O 3.02Å; E105-G107 PolarHBondContact O-N 2.62Å; G107-T109 VanDerWaalsContact C-N 3.34Å; G107-L110 WeakPolarHBondContact O-CB 3.41Å; G107-L110 PolarHBondContact O-N 3.32Å; G107-S111 PolarHBondContact O-N 2.96Å; G107-S111 PolarHBondContact O-OG 3.4Å; G107-N158 VanDerWaalsContact C-ND2 3.32Å; G107-N158 PolarHBondContact O-ND2 3.1Å |
| 108 | M | 89.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.6 | -32.4 | 177.8 | -72.8 | -176.9 | -74 | 0 | 0 | 112.8 | E105 L106 L110 S111 G112 V113 K118 R121 A122 A157 N158 | E105-M108 HydrophobicContact CG-CE 4.45Å; E105-M108 PolarHBondContact O-N 3.41Å; L106-M108 PolarHBondContact O-N 2.91Å; M108-L110 PolarHBondContact O-N 2.8Å; M108-S111 VanDerWaalsContact CA-OG 3.27Å; M108-S111 WeakPolarHBondContact CA-OG 3.21Å; M108-S111 PolarHBondContact O-N 2.86Å; M108-S111 PolarHBondContact O-OG 2.94Å; M108-G112 PolarHBondContact O-N 2.91Å; M108-V113 HydrophobicContact CB-CB 4.11Å; M108-V113 HydrophobicContact CB-CG2 4.12Å; M108-V113 HydrophobicContact CG-CG2 4.34Å; M108-V113 PolarHBondContact O-N 2.76Å; M108-V113 VanDerWaalsContact O-N 3.13Å; M108-K118 HydrophobicContact CB-CB 4.29Å; M108-K118 HydrophobicContact CB-CD 3.8Å; M108-K118 HydrophobicContact CB-CG 3.64Å; M108-K118 HydrophobicContact CE-CG 3.86Å; M108-K118 WeakPolarHBondContact CE-O 3.46Å; M108-K118 HydrophobicContact CG-CG 4.49Å; M108-K118 HydrophobicContact SD-CB 4.35Å; M108-K118 HydrophobicContact SD-CG 4.13Å; M108-R121 HydrophobicContact CE-CB 3.96Å; M108-R121 HydrophobicContact SD-CB 3.53Å; M108-R121 VanDerWaalsContact SD-CB 3.53Å; M108-R121 HydrophobicContact SD-CG 4.26Å; M108-A122 HydrophobicContact CE-CB 3.92Å; M108-A157 HydrophobicContact CE-CB 3.83Å; M108-N158 WeakPolarHBondContact CA-OD1 3.33Å; M108-N158 WeakPolarHBondContact CG-OD1 3.45Å; M108-N158 PolarHBondContact N-OD1 2.98Å |
| 109 | T | 86.1 | Confident | 88.5 | Confident | 18 Ų | 18 | 39 Ų | 39 | 11% | 0.11 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.1 | -31.9 | 174.4 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | E105 L106 G107 K118 T245 | E105-T109 WeakPolarHBondContact O-CB 3.26Å; E105-T109 PolarHBondContact O-N 3.13Å; E105-T109 PolarHBondContact O-OG1 2.71Å; L106-T109 WeakPolarHBondContact O-CB 3.26Å; L106-T109 PolarHBondContact O-N 2.99Å; G107-T109 VanDerWaalsContact C-N 3.34Å; T109-K118 WeakPolarHBondContact OG1-CD 3.09Å; T109-K118 PolarHBondContact OG1-NZ 2.94Å; T109-T245 HydrophobicContact CG2-CG2 3.31Å |
| 110 | L | 83.2 | Confident | 88.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -76.9 | -35.4 | 177.1 | -63.4 | 168.9 | 0 | 0 | 0 | 113 | L106 G107 M108 G112 M241 L690 A692 | L106-L110 WeakPolarHBondContact O-CG 3.22Å; L106-L110 PolarHBondContact O-N 2.93Å; G107-L110 WeakPolarHBondContact O-CB 3.41Å; G107-L110 PolarHBondContact O-N 3.32Å; M108-L110 PolarHBondContact O-N 2.8Å; L110-G112 VanDerWaalsContact C-N 3.27Å; L110-G112 PolarHBondContact O-N 2.82Å; L110-M241 HydrophobicContact CD2-CE 3.28Å; L110-L690 HydrophobicContact CD1-CB 3.73Å; L110-A692 HydrophobicContact CD1-CB 3.97Å; L110-A692 HydrophobicContact CD2-CB 3.67Å; L110-A692 HydrophobicContact CG-CB 4.46Å |
| 111 | S | 82 | Confident | 88.7 | Confident | 33 Ų | 33 | 47.5 Ų | 47.5 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73.1 | -18.5 | 172 | 36.6 | 0 | 0 | 0 | 0 | 113.3 | N82 G107 M108 V113 | N82-S111 WeakPolarHBondContact OD1-CB 2.97Å; G107-S111 PolarHBondContact O-N 2.96Å; G107-S111 PolarHBondContact O-OG 3.4Å; M108-S111 VanDerWaalsContact CA-OG 3.27Å; M108-S111 WeakPolarHBondContact CA-OG 3.21Å; M108-S111 PolarHBondContact O-N 2.86Å; M108-S111 PolarHBondContact O-OG 2.94Å; S111-V113 WeakPolarHBondContact OG-CG2 3.41Å |
| 112 | G | 79 | Confident | 88.7 | Confident | 49 Ų | 49 | 46.3 Ų | 46.3 | 51% | 0.505 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | 26.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M108 L110 | M108-G112 PolarHBondContact O-N 2.91Å; L110-G112 VanDerWaalsContact C-N 3.27Å; L110-G112 PolarHBondContact O-N 2.82Å |
| 113 | V | 84.7 | Confident | 88.8 | Confident | 30 Ų | 30 | 46 Ų | 46 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | trans | -58.2 | 145.7 | 173.6 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | M108 S111 E117 K118 | M108-V113 HydrophobicContact CB-CB 4.11Å; M108-V113 HydrophobicContact CB-CG2 4.12Å; M108-V113 HydrophobicContact CG-CG2 4.34Å; M108-V113 PolarHBondContact O-N 2.76Å; M108-V113 VanDerWaalsContact O-N 3.13Å; S111-V113 WeakPolarHBondContact OG-CG2 3.41Å; V113-E117 HydrophobicContact CG1-CB 3.81Å; V113-E117 VanDerWaalsContact CG1-CD 3.46Å; V113-E117 HydrophobicContact CG1-CG 3.78Å; V113-K118 HydrophobicContact CB-CB 4.42Å; V113-K118 HydrophobicContact CG1-CB 4.02Å | ||
| 114 | S | 85.9 | Confident | 88.9 | Confident | 64 Ų | 64 | 50 Ų | 50 | 45% | 0.448 | 26% | 0.258 | S | S | . | . | trans | -59.8 | 153.8 | 179.1 | 75.8 | 0 | 0 | 0 | 0 | 111.3 | E116 E117 K118 | S114-E116 VanDerWaalsContact C-N 3.32Å; S114-E116 PolarHBondContact O-N 2.84Å; S114-E117 WeakPolarHBondContact OG-CB 3.4Å; S114-E117 PolarHBondContact OG-N 2.81Å; S114-K118 WeakPolarHBondContact O-CB 3.4Å; S114-K118 PolarHBondContact O-N 2.81Å | ||
| 115 | K | 85.8 | Confident | 88.9 | Confident | 155 Ų | 155 | 50.4 Ų | 50.4 | 67% | 0.674 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.9 | -43.6 | -175.6 | -175.6 | -172.1 | 171.6 | -163.4 | 0 | 111.9 | Q119 | K115-Q119 WeakPolarHBondContact O-CB 3.38Å; K115-Q119 PolarHBondContact O-N 3.35Å; K115-Q119 VanDerWaalsContact O-N 3.12Å |
| 116 | E | 89 | Confident | 89 | Confident | 163 Ų | 163 | 49.6 Ų | 49.6 | 76% | 0.762 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -68.2 | -50.1 | -177.1 | -67.5 | 170.6 | -173.1 | 0 | 0 | 111.3 | S114 K118 Q119 Q120 | S114-E116 VanDerWaalsContact C-N 3.32Å; S114-E116 PolarHBondContact O-N 2.84Å; E116-K118 VanDerWaalsContact C-N 3.31Å; E116-K118 PolarHBondContact O-N 2.65Å; E116-Q119 PolarHBondContact O-N 2.83Å; E116-Q120 PolarHBondContact O-N 3.41Å |
| 117 | E | 90.7 | Very high | 89.2 | Confident | 85 Ų | 85 | 56.1 Ų | 56.1 | 40% | 0.397 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 178 | -175.4 | -168.5 | 156.8 | 0 | 0 | 111.8 | V113 S114 Q119 Q120 R121 | V113-E117 HydrophobicContact CG1-CB 3.81Å; V113-E117 VanDerWaalsContact CG1-CD 3.46Å; V113-E117 HydrophobicContact CG1-CG 3.78Å; S114-E117 WeakPolarHBondContact OG-CB 3.4Å; S114-E117 PolarHBondContact OG-N 2.81Å; E117-Q119 PolarHBondContact O-N 3.14Å; E117-Q120 PolarHBondContact O-N 3.09Å; E117-R121 HydrophobicContact CG-CG 4.49Å; E117-R121 WeakPolarHBondContact O-CB 3.26Å; E117-R121 WeakPolarHBondContact O-CG 3.27Å; E117-R121 PolarHBondContact O-N 3.37Å; E117-R121 IonicContact OE1-NH1 3.85Å |
| 118 | K | 90.1 | Very high | 89.3 | Confident | 23 Ų | 23 | 60.5 Ų | 60.5 | 10% | 0.1 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 178.6 | 177.9 | 172.2 | 74.1 | 116.7 | 0 | 112 | E105 M108 T109 V113 S114 E116 A122 | E105-K118 HydrophobicContact CB-CD 3.87Å; E105-K118 HydrophobicContact CB-CG 3.81Å; E105-K118 HydrophobicContact CG-CD 4.22Å; E105-K118 HydrophobicContact CG-CG 3.68Å; E105-K118 WeakPolarHBondContact OE2-CE 3.26Å; E105-K118 IonicContact OE2-NZ 2.85Å; E105-K118 PolarHBondContact OE2-NZ 3.36Å; M108-K118 HydrophobicContact CB-CB 4.29Å; M108-K118 HydrophobicContact CB-CD 3.8Å; M108-K118 HydrophobicContact CB-CG 3.64Å; M108-K118 HydrophobicContact CE-CG 3.86Å; M108-K118 WeakPolarHBondContact CE-O 3.46Å; M108-K118 HydrophobicContact CG-CG 4.49Å; M108-K118 HydrophobicContact SD-CB 4.35Å; M108-K118 HydrophobicContact SD-CG 4.13Å; T109-K118 WeakPolarHBondContact OG1-CD 3.09Å; T109-K118 PolarHBondContact OG1-NZ 2.94Å; V113-K118 HydrophobicContact CB-CB 4.42Å; V113-K118 HydrophobicContact CG1-CB 4.02Å; S114-K118 WeakPolarHBondContact O-CB 3.4Å; S114-K118 PolarHBondContact O-N 2.81Å; E116-K118 VanDerWaalsContact C-N 3.31Å; E116-K118 PolarHBondContact O-N 2.65Å; K118-A122 WeakPolarHBondContact O-CB 3.3Å; K118-A122 PolarHBondContact O-N 3.01Å |
| 119 | Q | 91.2 | Very high | 89.4 | Confident | 80 Ų | 80 | 60.6 Ų | 60.6 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65 | -47.7 | 178.6 | -174.3 | 177.8 | -17.2 | 0 | 0 | 110.5 | I101 E105 K115 E116 E117 R121 A122 E123 | I101-Q119 HydrophobicContact CD1-CG 4.2Å; E105-Q119 WeakPolarHBondContact OE1-CA 3.4Å; K115-Q119 WeakPolarHBondContact O-CB 3.38Å; K115-Q119 PolarHBondContact O-N 3.35Å; K115-Q119 VanDerWaalsContact O-N 3.12Å; E116-Q119 PolarHBondContact O-N 2.83Å; E117-Q119 PolarHBondContact O-N 3.14Å; Q119-R121 PolarHBondContact O-N 2.94Å; Q119-A122 PolarHBondContact O-N 2.92Å; Q119-E123 WeakPolarHBondContact CG-OE1 3.32Å; Q119-E123 PolarHBondContact NE2-OE1 2.91Å; Q119-E123 WeakPolarHBondContact O-CG 3.29Å; Q119-E123 PolarHBondContact O-N 2.99Å |
| 120 | Q | 93.9 | Very high | 89.6 | Confident | 124 Ų | 124 | 62.3 Ų | 62.3 | 58% | 0.579 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -57.4 | -51 | 178.3 | -175.7 | 176.9 | 9.1 | 0 | 0 | 112 | E116 E117 A122 E123 D124 | E116-Q120 PolarHBondContact O-N 3.41Å; E117-Q120 PolarHBondContact O-N 3.09Å; Q120-A122 VanDerWaalsContact C-N 3.28Å; Q120-A122 PolarHBondContact O-N 3.1Å; Q120-E123 PolarHBondContact O-N 3.34Å; Q120-D124 VanDerWaalsContact O-CG 3.31Å; Q120-D124 PolarHBondContact O-N 2.78Å |
| 121 | R | 92.8 | Very high | 90 | Very high | 69 Ų | 69 | 62.4 Ų | 62.4 | 26% | 0.26 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.7 | -35.4 | 178.9 | -72.9 | 175.6 | 65.3 | 158.9 | 8.2 | 112.9 | M108 E117 Q119 A125 A157 N158 | M108-R121 HydrophobicContact CE-CB 3.96Å; M108-R121 HydrophobicContact SD-CB 3.53Å; M108-R121 VanDerWaalsContact SD-CB 3.53Å; M108-R121 HydrophobicContact SD-CG 4.26Å; E117-R121 HydrophobicContact CG-CG 4.49Å; E117-R121 WeakPolarHBondContact O-CB 3.26Å; E117-R121 WeakPolarHBondContact O-CG 3.27Å; E117-R121 PolarHBondContact O-N 3.37Å; E117-R121 IonicContact OE1-NH1 3.85Å; Q119-R121 PolarHBondContact O-N 2.94Å; R121-A125 WeakPolarHBondContact O-CB 3.26Å; R121-A125 PolarHBondContact O-N 3.11Å; R121-A157 VanDerWaalsContact CZ-O 3.27Å; R121-A157 PolarHBondContact NE-O 3.17Å; R121-A157 VanDerWaalsContact NE-O 3.07Å; R121-A157 PolarHBondContact NH2-O 3.41Å; R121-N158 VanDerWaalsContact NH2-CA 3.3Å; R121-N158 PolarHBondContact NH2-O 3.27Å |
| 122 | A | 93 | Very high | 90.3 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.4 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I101 V104 E105 M108 K118 Q119 Q120 A125 L126 | I101-A122 HydrophobicContact CG1-CB 4.1Å; V104-A122 HydrophobicContact CB-CB 4.19Å; V104-A122 HydrophobicContact CG1-CB 3.76Å; E105-A122 HydrophobicContact CG-CB 3.56Å; M108-A122 HydrophobicContact CE-CB 3.92Å; K118-A122 WeakPolarHBondContact O-CB 3.3Å; K118-A122 PolarHBondContact O-N 3.01Å; Q119-A122 PolarHBondContact O-N 2.92Å; Q120-A122 VanDerWaalsContact C-N 3.28Å; Q120-A122 PolarHBondContact O-N 3.1Å; A122-A125 PolarHBondContact O-N 3.25Å; A122-L126 WeakPolarHBondContact O-CB 3.39Å; A122-L126 VanDerWaalsContact O-CG 3.31Å; A122-L126 WeakPolarHBondContact O-CG 3.46Å; A122-L126 PolarHBondContact O-N 3.28Å |
| 123 | E | 94.4 | Very high | 90.8 | Very high | 49 Ų | 49 | 67.4 Ų | 67.4 | 23% | 0.229 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 174.8 | -69.2 | -179 | -163.2 | 0 | 0 | 111.3 | I101 Q119 Q120 L126 R127 M135 | I101-E123 HydrophobicContact CD1-CG 4.04Å; Q119-E123 WeakPolarHBondContact CG-OE1 3.32Å; Q119-E123 PolarHBondContact NE2-OE1 2.91Å; Q119-E123 WeakPolarHBondContact O-CG 3.29Å; Q119-E123 PolarHBondContact O-N 2.99Å; Q120-E123 PolarHBondContact O-N 3.34Å; E123-L126 PolarHBondContact O-N 2.91Å; E123-R127 WeakPolarHBondContact O-CG 3.18Å; E123-R127 PolarHBondContact O-N 3.3Å; E123-M135 HydrophobicContact CB-CE 4.23Å; E123-M135 HydrophobicContact CB-SD 4.04Å; E123-M135 HydrophobicContact CG-SD 3.8Å |
| 124 | D | 94.3 | Very high | 91 | Very high | 85 Ų | 85 | 67.8 Ų | 67.8 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 177.2 | -69.8 | -23 | 0 | 0 | 0 | 111.7 | Q120 L126 R127 R128 | Q120-D124 VanDerWaalsContact O-CG 3.31Å; Q120-D124 PolarHBondContact O-N 2.78Å; D124-L126 VanDerWaalsContact C-N 3.33Å; D124-L126 PolarHBondContact O-N 3.19Å; D124-R127 PolarHBondContact O-N 2.9Å; D124-R128 WeakPolarHBondContact O-CB 3.44Å; D124-R128 PolarHBondContact O-N 3.07Å |
| 125 | A | 93 | Very high | 91.1 | Very high | 9 Ų | 9 | 65.2 Ų | 65.2 | 7% | 0.074 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | V104 R121 A122 R128 V129 A153 | V104-A125 HydrophobicContact CG1-CB 4.25Å; R121-A125 WeakPolarHBondContact O-CB 3.26Å; R121-A125 PolarHBondContact O-N 3.11Å; A122-A125 PolarHBondContact O-N 3.25Å; A125-R128 PolarHBondContact O-N 2.78Å; A125-V129 PolarHBondContact O-N 3.05Å; A125-A153 HydrophobicContact CB-CB 4.2Å |
| 126 | L | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.9 | -36.5 | 176.7 | -75.1 | 167.3 | 0 | 0 | 0 | 112.6 | I100 V104 A122 E123 D124 V129 G130 L131 M135 V150 A153 | I100-L126 HydrophobicContact CG2-CD1 3.99Å; I100-L126 HydrophobicContact CG2-CD2 3.6Å; I100-L126 HydrophobicContact CG2-CG 4.48Å; V104-L126 HydrophobicContact CG2-CD1 4.27Å; V104-L126 HydrophobicContact CG2-CD2 3.95Å; V104-L126 HydrophobicContact CG2-CG 4.08Å; A122-L126 WeakPolarHBondContact O-CB 3.39Å; A122-L126 VanDerWaalsContact O-CG 3.31Å; A122-L126 WeakPolarHBondContact O-CG 3.46Å; A122-L126 PolarHBondContact O-N 3.28Å; E123-L126 PolarHBondContact O-N 2.91Å; D124-L126 VanDerWaalsContact C-N 3.33Å; D124-L126 PolarHBondContact O-N 3.19Å; L126-V129 WeakPolarHBondContact O-CG2 3.34Å; L126-G130 PolarHBondContact O-N 3.11Å; L126-L131 HydrophobicContact CD2-CB 4.19Å; L126-L131 HydrophobicContact CD2-CD1 4.24Å; L126-L131 WeakPolarHBondContact O-CA 3.28Å; L126-L131 PolarHBondContact O-N 2.68Å; L126-M135 HydrophobicContact CB-CE 4.23Å; L126-M135 HydrophobicContact CB-CG 3.99Å; L126-M135 HydrophobicContact CB-SD 4.41Å; L126-M135 HydrophobicContact CD1-CB 4.11Å; L126-M135 HydrophobicContact CD1-CG 3.8Å; L126-M135 HydrophobicContact CD1-SD 4.46Å; L126-M135 HydrophobicContact CG-CG 4.49Å; L126-V150 HydrophobicContact CD2-CG2 4.49Å; L126-A153 HydrophobicContact CD2-CB 3.94Å; L126-A153 HydrophobicContact CG-CB 4.36Å |
| 127 | R | 94 | Very high | 91.5 | Very high | 141 Ų | 141 | 61.5 Ų | 61.5 | 53% | 0.532 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 171.9 | -72.1 | 173.6 | -171.1 | -80.9 | -2.1 | 111 | E123 D124 V129 G130 A132 M135 | E123-R127 WeakPolarHBondContact O-CG 3.18Å; E123-R127 PolarHBondContact O-N 3.3Å; D124-R127 PolarHBondContact O-N 2.9Å; R127-V129 VanDerWaalsContact C-N 3.26Å; R127-V129 PolarHBondContact O-N 2.85Å; R127-G130 PolarHBondContact O-N 3.09Å; R127-A132 HydrophobicContact CG-CB 4.03Å; R127-M135 HydrophobicContact CG-CE 3.53Å |
| 128 | R | 90 | Very high | 91.4 | Very high | 94 Ų | 94 | 62.6 Ų | 62.6 | 36% | 0.355 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.7 | -34.8 | -179.8 | -169.6 | 173.9 | 179.4 | 170.8 | 6.2 | 112.8 | D124 A125 G130 L187 E190 | D124-R128 WeakPolarHBondContact O-CB 3.44Å; D124-R128 PolarHBondContact O-N 3.07Å; A125-R128 PolarHBondContact O-N 2.78Å; R128-G130 VanDerWaalsContact C-N 3.33Å; R128-L187 VanDerWaalsContact CZ-CD2 3.49Å; R128-E190 IonicContact CZ-OE1 2.59Å; R128-E190 IonicContact CZ-OE2 2.62Å; R128-E190 VanDerWaalsContact CZ-OE2 3.31Å; R128-E190 IonicContact NH1-OE2 2.94Å; R128-E190 PolarHBondContact NH1-OE2 3.49Å; R128-E190 IonicContact NH2-OE1 2.73Å; R128-E190 PolarHBondContact NH2-OE1 3.45Å; R128-E190 IonicContact NH2-OE2 3.86Å; R128-E190 PolarHBondContact NH2-OE2 2.86Å |
| 129 | V | 90.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 7.9 | 175.2 | -54.1 | 0 | 0 | 0 | 0 | 113.6 | A125 L126 R127 L131 R149 I152 A153 L156 L183 | A125-V129 PolarHBondContact O-N 3.05Å; L126-V129 WeakPolarHBondContact O-CG2 3.34Å; R127-V129 VanDerWaalsContact C-N 3.26Å; R127-V129 PolarHBondContact O-N 2.85Å; V129-L131 HydrophobicContact CG2-CB 4.12Å; V129-L131 HydrophobicContact CG2-CD1 3.96Å; V129-L131 HydrophobicContact CG2-CG 4.01Å; V129-R149 HydrophobicContact CB-CB 4.09Å; V129-R149 HydrophobicContact CB-CG 4.49Å; V129-R149 HydrophobicContact CG2-CB 4.05Å; V129-R149 WeakPolarHBondContact CG2-O 3.36Å; V129-R149 VanDerWaalsContact O-CD 3.31Å; V129-R149 WeakPolarHBondContact O-CD 3.49Å; V129-R149 PolarHBondContact O-NH1 2.92Å; V129-I152 HydrophobicContact CG1-CB 4.31Å; V129-I152 HydrophobicContact CG1-CG2 3.96Å; V129-A153 HydrophobicContact CG1-CB 4Å; V129-A153 HydrophobicContact CG2-CB 3.82Å; V129-L156 HydrophobicContact CG1-CD1 4.47Å; V129-L183 HydrophobicContact CB-CD2 4.11Å; V129-L183 HydrophobicContact CG1-CD2 3.99Å |
| 130 | G | 90.1 | Very high | 91.4 | Very high | 55 Ų | 55 | 63.6 Ų | 63.6 | 57% | 0.567 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 27.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L126 R127 R128 | L126-G130 PolarHBondContact O-N 3.11Å; R127-G130 PolarHBondContact O-N 3.09Å; R128-G130 VanDerWaalsContact C-N 3.33Å |
| 131 | L | 91.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | trans | -111.3 | 27.1 | 179.6 | -71.4 | 179.6 | 0 | 0 | 0 | 113.4 | L126 V129 D133 H134 M135 Q146 R149 V150 | L126-L131 HydrophobicContact CD2-CB 4.19Å; L126-L131 HydrophobicContact CD2-CD1 4.24Å; L126-L131 WeakPolarHBondContact O-CA 3.28Å; L126-L131 PolarHBondContact O-N 2.68Å; V129-L131 HydrophobicContact CG2-CB 4.12Å; V129-L131 HydrophobicContact CG2-CD1 3.96Å; V129-L131 HydrophobicContact CG2-CG 4.01Å; L131-D133 VanDerWaalsContact C-N 3.29Å; L131-D133 PolarHBondContact O-N 3.05Å; L131-H134 HydrophobicContact CB-CB 4.45Å; L131-H134 HydrophobicContact CD2-CB 4.2Å; L131-H134 PolarHBondContact O-N 2.87Å; L131-M135 PolarHBondContact O-N 2.91Å; L131-Q146 HydrophobicContact CD2-CB 4.08Å; L131-Q146 HydrophobicContact CD2-CG 3.96Å; L131-R149 HydrophobicContact CD1-CB 3.54Å; L131-R149 HydrophobicContact CG-CB 3.94Å; L131-V150 HydrophobicContact CD1-CB 4.36Å; L131-V150 HydrophobicContact CD1-CG2 3.37Å | ||
| 132 | A | 88.8 | Confident | 91.1 | Very high | 37 Ų | 37 | 60.9 Ų | 60.9 | 31% | 0.306 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -56.3 | -40.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R127 H134 M135 | R127-A132 HydrophobicContact CG-CB 4.03Å; A132-H134 VanDerWaalsContact C-N 3.25Å; A132-H134 PolarHBondContact O-N 2.98Å; A132-M135 HydrophobicContact CB-CE 4.05Å; A132-M135 WeakPolarHBondContact O-CG 3.33Å |
| 133 | D | 88.4 | Confident | 91 | Very high | 149 Ų | 149 | 63.9 Ų | 63.9 | 80% | 0.797 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -81 | -5.7 | -178.8 | -52.4 | -41.3 | 0 | 0 | 0 | 113.5 | L131 | L131-D133 VanDerWaalsContact C-N 3.29Å; L131-D133 PolarHBondContact O-N 3.05Å |
| 134 | H | 88.8 | Confident | 90.7 | Very high | 39 Ų | 39 | 62.9 Ų | 62.9 | 18% | 0.181 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -110.4 | 0.7 | -172.8 | -67.1 | 69.9 | 0 | 0 | 0 | 112.9 | I100 L131 A132 H136 K137 L142 Q146 | I100-H134 WeakPolarHBondContact CD1-O 3.06Å; L131-H134 HydrophobicContact CB-CB 4.45Å; L131-H134 HydrophobicContact CD2-CB 4.2Å; L131-H134 PolarHBondContact O-N 2.87Å; A132-H134 VanDerWaalsContact C-N 3.25Å; A132-H134 PolarHBondContact O-N 2.98Å; H134-H136 VanDerWaalsContact C-N 3.25Å; H134-H136 PolarHBondContact O-N 2.94Å; H134-H136 VanDerWaalsContact O-N 3.11Å; H134-K137 HydrophobicContact CB-CD 4.25Å; H134-K137 PolarHBondContact CD2-NZ 3.08Å; H134-K137 PolarHBondContact NE2-NZ 3.3Å; H134-K137 WeakPolarHBondContact O-CB 3.41Å; H134-K137 PolarHBondContact O-N 3.07Å; H134-L142 HydrophobicContact CB-CD2 4.15Å; H134-Q146 PolarHBondContact NE2-NE2 3.12Å |
| 135 | M | 89.5 | Confident | 90.4 | Very high | 9 Ų | 9 | 59.1 Ų | 59.1 | 4% | 0.044 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -33.3 | -170.9 | -62.1 | -173.6 | -164.7 | 0 | 0 | 114.7 | I101 E123 L126 R127 L131 A132 | I101-M135 PolarHBondContact N-O 2.85Å; E123-M135 HydrophobicContact CB-CE 4.23Å; E123-M135 HydrophobicContact CB-SD 4.04Å; E123-M135 HydrophobicContact CG-SD 3.8Å; L126-M135 HydrophobicContact CB-CE 4.23Å; L126-M135 HydrophobicContact CB-CG 3.99Å; L126-M135 HydrophobicContact CB-SD 4.41Å; L126-M135 HydrophobicContact CD1-CB 4.11Å; L126-M135 HydrophobicContact CD1-CG 3.8Å; L126-M135 HydrophobicContact CD1-SD 4.46Å; L126-M135 HydrophobicContact CG-CG 4.49Å; R127-M135 HydrophobicContact CG-CE 3.53Å; L131-M135 PolarHBondContact O-N 2.91Å; A132-M135 HydrophobicContact CB-CE 4.05Å; A132-M135 WeakPolarHBondContact O-CG 3.33Å |
| 136 | H | 89.2 | Confident | 90.4 | Very high | 165 Ų | 165 | 61 Ų | 61 | 76% | 0.764 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 3 | -177.1 | -57.3 | -54.6 | 0 | 0 | 0 | 114.1 | H134 | H134-H136 VanDerWaalsContact C-N 3.25Å; H134-H136 PolarHBondContact O-N 2.94Å; H134-H136 VanDerWaalsContact O-N 3.11Å |
| 137 | K | 92.7 | Very high | 90.3 | Very high | 75 Ų | 75 | 63 Ų | 63 | 33% | 0.326 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -79.8 | 170.5 | 175.8 | -64.3 | -179.4 | -177.3 | -179.4 | 0 | 111 | I100 H134 Q141 L142 | I100-K137 VanDerWaalsContact CD1-C 3.49Å; I100-K137 HydrophobicContact CD1-CB 3.61Å; I100-K137 VanDerWaalsContact CD1-O 3.26Å; I100-K137 WeakPolarHBondContact CD1-O 3.31Å; I100-K137 VanDerWaalsContact CG1-O 3.26Å; I100-K137 WeakPolarHBondContact CG1-O 3.23Å; I100-K137 PolarHBondContact N-O 2.87Å; H134-K137 HydrophobicContact CB-CD 4.25Å; H134-K137 PolarHBondContact CD2-NZ 3.08Å; H134-K137 PolarHBondContact NE2-NZ 3.3Å; H134-K137 WeakPolarHBondContact O-CB 3.41Å; H134-K137 PolarHBondContact O-N 3.07Å; K137-Q141 HydrophobicContact CB-CB 4.36Å; K137-L142 HydrophobicContact CB-CD2 4.48Å; K137-L142 HydrophobicContact CD-CD2 4.24Å |
| 138 | K | 89.4 | Confident | 90.3 | Very high | 109 Ų | 109 | 56.3 Ų | 56.3 | 47% | 0.474 | 30% | 0.303 | S | S | . | . | trans | -102.9 | 157.1 | 170.8 | -70.2 | -177.9 | -179 | 179 | 0 | 110.7 | N140 Q141 | K138-N140 WeakPolarHBondContact CB-OD1 3.47Å; K138-N140 PolarHBondContact O-N 2.91Å; K138-Q141 WeakPolarHBondContact O-CB 3.41Å; K138-Q141 PolarHBondContact O-N 2.72Å | ||
| 139 | P | 91 | Very high | 90.5 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.019 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -50.4 | -43.1 | -179.7 | -30.7 | 36.9 | 0 | 0 | 0 | 113.5 | L94 L98 Q141 L142 M147 | L94-P139 HydrophobicContact CB-CB 4.4Å; L94-P139 HydrophobicContact CB-CG 4.27Å; L94-P139 HydrophobicContact CD1-CB 4.34Å; L98-P139 WeakPolarHBondContact O-CD 3.34Å; P139-Q141 PolarHBondContact O-N 2.88Å; P139-L142 WeakPolarHBondContact O-CB 3.4Å; P139-L142 PolarHBondContact O-N 2.76Å; P139-M147 WeakPolarHBondContact O-CE 3.19Å |
| 140 | N | 89.3 | Confident | 90.6 | Very high | 121 Ų | 121 | 53.9 Ų | 53.9 | 65% | 0.647 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -64.8 | -5.2 | 179.7 | 66.9 | -31.1 | 0 | 0 | 0 | 115.6 | K138 | K138-N140 WeakPolarHBondContact CB-OD1 3.47Å; K138-N140 PolarHBondContact O-N 2.91Å |
| 141 | Q | 90.6 | Very high | 90.8 | Very high | 119 Ų | 119 | 51.3 Ų | 51.3 | 56% | 0.556 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -103.9 | 4.2 | 176.8 | -58.2 | 176.1 | -57.5 | 0 | 0 | 112.7 | K137 K138 P139 | K137-Q141 HydrophobicContact CB-CB 4.36Å; K138-Q141 WeakPolarHBondContact O-CB 3.41Å; K138-Q141 PolarHBondContact O-N 2.72Å; P139-Q141 PolarHBondContact O-N 2.88Å |
| 142 | L | 90.2 | Very high | 90.9 | Very high | 16 Ų | 16 | 51.2 Ų | 51.2 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -107.8 | 152.1 | -177 | -65 | -172.6 | 0 | 0 | 0 | 111.9 | I100 H134 K137 P139 Q146 M147 V150 | I100-L142 HydrophobicContact CD1-CD1 3.45Å; I100-L142 VanDerWaalsContact CD1-CD1 3.45Å; I100-L142 HydrophobicContact CD1-CD2 3.89Å; I100-L142 HydrophobicContact CD1-CG 3.81Å; I100-L142 HydrophobicContact CG1-CD1 3.93Å; H134-L142 HydrophobicContact CB-CD2 4.15Å; K137-L142 HydrophobicContact CB-CD2 4.48Å; K137-L142 HydrophobicContact CD-CD2 4.24Å; P139-L142 WeakPolarHBondContact O-CB 3.4Å; P139-L142 PolarHBondContact O-N 2.76Å; L142-Q146 HydrophobicContact CB-CB 3.86Å; L142-Q146 HydrophobicContact CD1-CB 4.17Å; L142-Q146 HydrophobicContact CD2-CB 4.15Å; L142-Q146 HydrophobicContact CG-CB 4.29Å; L142-M147 HydrophobicContact CB-CG 3.93Å; L142-V150 HydrophobicContact CD1-CG2 3.58Å |
| 143 | S | 90.6 | Very high | 91.1 | Very high | 63 Ų | 63 | 49.4 Ų | 49.4 | 44% | 0.441 | 25% | 0.252 | S | S | . | . | trans | -70.6 | 162.2 | 166.1 | 74 | 0 | 0 | 0 | 0 | 111.5 | G145 Q146 M147 | S143-G145 VanDerWaalsContact C-N 3.25Å; S143-G145 PolarHBondContact O-N 2.9Å; S143-Q146 WeakPolarHBondContact O-CB 3.38Å; S143-Q146 PolarHBondContact O-N 3.28Å; S143-Q146 WeakPolarHBondContact OG-CG 3.06Å; S143-Q146 PolarHBondContact OG-N 3.23Å; S143-M147 WeakPolarHBondContact O-CG 3.07Å; S143-M147 PolarHBondContact O-N 3.47Å | ||
| 144 | G | 88 | Confident | 91.4 | Very high | 29 Ų | 29 | 42.6 Ų | 42.6 | 30% | 0.299 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -55.7 | -39.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y92 M147 Q148 L172 | Y92-G144 WeakPolarHBondContact CE1-O 3.44Å; G144-M147 PolarHBondContact O-N 2.61Å; G144-Q148 PolarHBondContact O-N 3.32Å; G144-L172 VanDerWaalsContact C-CD2 3.42Å |
| 145 | G | 89.8 | Confident | 91.6 | Very high | 5 Ų | 5 | 41 Ų | 41 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S143 Q148 R149 T176 | S143-G145 VanDerWaalsContact C-N 3.25Å; S143-G145 PolarHBondContact O-N 2.9Å; G145-Q148 PolarHBondContact O-N 3.32Å; G145-R149 PolarHBondContact O-N 3.33Å; G145-T176 VanDerWaalsContact CA-CG2 3.45Å |
| 146 | Q | 92.1 | Very high | 91.7 | Very high | 48 Ų | 48 | 41.2 Ų | 41.2 | 22% | 0.224 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.8 | -39.3 | 175.7 | -70.3 | 174.4 | -22.1 | 0 | 0 | 111.4 | L131 H134 L142 S143 Q148 R149 V150 | L131-Q146 HydrophobicContact CD2-CB 4.08Å; L131-Q146 HydrophobicContact CD2-CG 3.96Å; H134-Q146 PolarHBondContact NE2-NE2 3.12Å; L142-Q146 HydrophobicContact CB-CB 3.86Å; L142-Q146 HydrophobicContact CD1-CB 4.17Å; L142-Q146 HydrophobicContact CD2-CB 4.15Å; L142-Q146 HydrophobicContact CG-CB 4.29Å; S143-Q146 WeakPolarHBondContact O-CB 3.38Å; S143-Q146 PolarHBondContact O-N 3.28Å; S143-Q146 WeakPolarHBondContact OG-CG 3.06Å; S143-Q146 PolarHBondContact OG-N 3.23Å; Q146-Q148 VanDerWaalsContact C-N 3.29Å; Q146-Q148 PolarHBondContact O-N 2.81Å; Q146-R149 WeakPolarHBondContact O-CB 3.35Å; Q146-R149 PolarHBondContact O-N 2.98Å; Q146-V150 WeakPolarHBondContact O-CG2 3.5Å; Q146-V150 PolarHBondContact O-N 3.48Å |
| 147 | M | 92.4 | Very high | 91.8 | Very high | 42 Ų | 42 | 33.5 Ų | 33.5 | 21% | 0.207 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.1 | -39.6 | 173 | -69.9 | -177.9 | -179.3 | 0 | 0 | 111.7 | Y92 L94 P139 L142 S143 G144 V150 A151 | Y92-M147 HydrophobicContact CD1-CB 4.02Å; Y92-M147 HydrophobicContact CD2-CB 4.07Å; Y92-M147 HydrophobicContact CD2-SD 4Å; Y92-M147 HydrophobicContact CE1-CB 4.42Å; Y92-M147 HydrophobicContact CE2-CB 4.39Å; Y92-M147 HydrophobicContact CE2-SD 4.27Å; Y92-M147 HydrophobicContact CG-CB 3.89Å; L94-M147 HydrophobicContact CD1-CB 4.02Å; L94-M147 HydrophobicContact CD1-CG 4.25Å; P139-M147 WeakPolarHBondContact O-CE 3.19Å; L142-M147 HydrophobicContact CB-CG 3.93Å; S143-M147 WeakPolarHBondContact O-CG 3.07Å; S143-M147 PolarHBondContact O-N 3.47Å; G144-M147 PolarHBondContact O-N 2.61Å; M147-V150 WeakPolarHBondContact O-CB 3.27Å; M147-V150 PolarHBondContact O-N 3.24Å; M147-A151 PolarHBondContact O-N 3.24Å |
| 148 | Q | 92.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.9 | -43.3 | 175 | -166.2 | 63.5 | -6.2 | 0 | 0 | 112 | Y92 G144 G145 Q146 V150 A151 I152 P168 L172 I180 | Y92-Q148 HydrophobicContact CD1-CB 4.03Å; Y92-Q148 HydrophobicContact CE1-CB 3.74Å; Y92-Q148 HydrophobicContact CE1-CG 4.35Å; G144-Q148 PolarHBondContact O-N 3.32Å; G145-Q148 PolarHBondContact O-N 3.32Å; Q146-Q148 VanDerWaalsContact C-N 3.29Å; Q146-Q148 PolarHBondContact O-N 2.81Å; Q148-V150 VanDerWaalsContact C-N 3.27Å; Q148-V150 PolarHBondContact O-N 3.32Å; Q148-A151 WeakPolarHBondContact O-CB 3.35Å; Q148-A151 PolarHBondContact O-N 3.39Å; Q148-A151 VanDerWaalsContact O-N 3.08Å; Q148-I152 HydrophobicContact CG-CD1 4.35Å; Q148-I152 WeakPolarHBondContact O-CG1 3.33Å; Q148-I152 PolarHBondContact O-N 2.87Å; Q148-P168 WeakPolarHBondContact CG-O 3.45Å; Q148-P168 PolarHBondContact NE2-O 3.03Å; Q148-L172 HydrophobicContact CB-CD1 4.19Å; Q148-L172 HydrophobicContact CG-CD1 4.2Å; Q148-I180 HydrophobicContact CB-CD1 4.19Å; Q148-I180 HydrophobicContact CG-CD1 4.13Å; Q148-I180 HydrophobicContact CG-CG1 4.4Å; Q148-I180 HydrophobicContact CG-CG2 4.28Å |
| 149 | R | 93.7 | Very high | 91.6 | Very high | 45 Ų | 45 | 31 Ų | 31 | 17% | 0.17 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.1 | -40 | 173.2 | -73.7 | 171.7 | -178.9 | -97.8 | 5.7 | 111.5 | V129 L131 G145 Q146 I152 A153 I180 | V129-R149 HydrophobicContact CB-CB 4.09Å; V129-R149 HydrophobicContact CB-CG 4.49Å; V129-R149 HydrophobicContact CG2-CB 4.05Å; V129-R149 WeakPolarHBondContact CG2-O 3.36Å; V129-R149 VanDerWaalsContact O-CD 3.31Å; V129-R149 WeakPolarHBondContact O-CD 3.49Å; V129-R149 PolarHBondContact O-NH1 2.92Å; L131-R149 HydrophobicContact CD1-CB 3.54Å; L131-R149 HydrophobicContact CG-CB 3.94Å; G145-R149 PolarHBondContact O-N 3.33Å; Q146-R149 WeakPolarHBondContact O-CB 3.35Å; Q146-R149 PolarHBondContact O-N 2.98Å; R149-I152 PolarHBondContact O-N 2.62Å; R149-A153 WeakPolarHBondContact O-CB 3.48Å; R149-A153 PolarHBondContact O-N 3.05Å; R149-I180 HydrophobicContact CG-CD1 3.63Å |
| 150 | V | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 173.2 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | L94 I100 V104 L126 L131 L142 Q146 M147 Q148 I152 A153 R154 | L94-V150 HydrophobicContact CD1-CB 4.01Å; L94-V150 HydrophobicContact CD1-CG1 3.94Å; L94-V150 HydrophobicContact CD2-CB 4.42Å; L94-V150 HydrophobicContact CD2-CG1 3.8Å; I100-V150 HydrophobicContact CG1-CG2 4.21Å; I100-V150 HydrophobicContact CG2-CB 4.42Å; I100-V150 HydrophobicContact CG2-CG1 3.88Å; I100-V150 HydrophobicContact CG2-CG2 3.58Å; V104-V150 HydrophobicContact CG2-CG1 4.22Å; L126-V150 HydrophobicContact CD2-CG2 4.49Å; L131-V150 HydrophobicContact CD1-CB 4.36Å; L131-V150 HydrophobicContact CD1-CG2 3.37Å; L142-V150 HydrophobicContact CD1-CG2 3.58Å; Q146-V150 WeakPolarHBondContact O-CG2 3.5Å; Q146-V150 PolarHBondContact O-N 3.48Å; M147-V150 WeakPolarHBondContact O-CB 3.27Å; M147-V150 PolarHBondContact O-N 3.24Å; Q148-V150 VanDerWaalsContact C-N 3.27Å; Q148-V150 PolarHBondContact O-N 3.32Å; V150-I152 VanDerWaalsContact C-N 3.3Å; V150-I152 PolarHBondContact O-N 3.33Å; V150-A153 PolarHBondContact O-N 3.3Å; V150-R154 WeakPolarHBondContact O-CB 3.26Å; V150-R154 PolarHBondContact O-N 3.47Å |
| 151 | A | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.6 | -39.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V88 L94 M147 Q148 R154 A155 | V88-A151 HydrophobicContact CG1-CB 4.46Å; L94-A151 HydrophobicContact CD2-CB 4.43Å; M147-A151 PolarHBondContact O-N 3.24Å; Q148-A151 WeakPolarHBondContact O-CB 3.35Å; Q148-A151 PolarHBondContact O-N 3.39Å; Q148-A151 VanDerWaalsContact O-N 3.08Å; A151-R154 PolarHBondContact O-N 3.08Å; A151-A155 WeakPolarHBondContact O-CB 3.36Å; A151-A155 PolarHBondContact O-N 2.83Å |
| 152 | I | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65 | -47.5 | 173.2 | -64 | 166.5 | 0 | 0 | 0 | 110.5 | V88 V129 Q148 R149 V150 R154 A155 L156 I180 L183 I184 L187 | V88-I152 HydrophobicContact CG1-CG1 4.13Å; V88-I152 HydrophobicContact CG2-CG1 4.04Å; V129-I152 HydrophobicContact CG1-CB 4.31Å; V129-I152 HydrophobicContact CG1-CG2 3.96Å; Q148-I152 HydrophobicContact CG-CD1 4.35Å; Q148-I152 WeakPolarHBondContact O-CG1 3.33Å; Q148-I152 PolarHBondContact O-N 2.87Å; R149-I152 PolarHBondContact O-N 2.62Å; V150-I152 VanDerWaalsContact C-N 3.3Å; V150-I152 PolarHBondContact O-N 3.33Å; I152-R154 VanDerWaalsContact C-N 3.31Å; I152-R154 PolarHBondContact O-N 3.01Å; I152-A155 WeakPolarHBondContact O-CB 3.43Å; I152-A155 PolarHBondContact O-N 2.87Å; I152-A155 VanDerWaalsContact O-N 3.07Å; I152-L156 HydrophobicContact CG2-CD1 3.87Å; I152-L156 HydrophobicContact CG2-CG 4.3Å; I152-L156 WeakPolarHBondContact O-CG 3.47Å; I152-L156 PolarHBondContact O-N 3.41Å; I152-I180 HydrophobicContact CD1-CD1 4.12Å; I152-I180 HydrophobicContact CD1-CG2 4.02Å; I152-L183 HydrophobicContact CD1-CD2 4Å; I152-L183 HydrophobicContact CG2-CD2 4.18Å; I152-I184 HydrophobicContact CD1-CG1 4.41Å; I152-L187 HydrophobicContact CG2-CD1 3.82Å |
| 153 | A | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.2 | -42.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | V104 A125 L126 V129 R149 V150 A155 L156 A157 | V104-A153 HydrophobicContact CG1-CB 4.47Å; V104-A153 HydrophobicContact CG2-CB 4.02Å; A125-A153 HydrophobicContact CB-CB 4.2Å; L126-A153 HydrophobicContact CD2-CB 3.94Å; L126-A153 HydrophobicContact CG-CB 4.36Å; V129-A153 HydrophobicContact CG1-CB 4Å; V129-A153 HydrophobicContact CG2-CB 3.82Å; R149-A153 WeakPolarHBondContact O-CB 3.48Å; R149-A153 PolarHBondContact O-N 3.05Å; V150-A153 PolarHBondContact O-N 3.3Å; A153-A155 VanDerWaalsContact C-N 3.33Å; A153-A155 PolarHBondContact O-N 3.26Å; A153-L156 PolarHBondContact O-N 3.15Å; A153-A157 PolarHBondContact O-N 2.83Å |
| 154 | R | 94.1 | Very high | 92.3 | Very high | 6 Ų | 6 | 19.4 Ų | 19.4 | 2% | 0.023 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.4 | -42.5 | 174.3 | 178.4 | -175.9 | 68.2 | -171.6 | -7.5 | 111.9 | Y92 N93 N103 V104 V150 A151 I152 L156 L690 | Y92-R154 PolarHBondContact O-NH2 2.82Å; N93-R154 PolarHBondContact O-NH1 3.16Å; N103-R154 VanDerWaalsContact O-CD 3.31Å; N103-R154 WeakPolarHBondContact O-CD 3.41Å; N103-R154 VanDerWaalsContact O-CG 3.31Å; N103-R154 WeakPolarHBondContact O-CG 3.16Å; V104-R154 HydrophobicContact CG2-CB 4.36Å; V150-R154 WeakPolarHBondContact O-CB 3.26Å; V150-R154 PolarHBondContact O-N 3.47Å; A151-R154 PolarHBondContact O-N 3.08Å; I152-R154 VanDerWaalsContact C-N 3.31Å; I152-R154 PolarHBondContact O-N 3.01Å; R154-L156 VanDerWaalsContact C-N 3.3Å; R154-L156 PolarHBondContact O-N 3.23Å; R154-L690 HydrophobicContact CG-CD2 4.13Å |
| 155 | A | 92.7 | Very high | 92.6 | Very high | 5 Ų | 5 | 18 Ų | 18 | 4% | 0.041 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.4 | -36.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V88 A151 I152 A153 P160 L163 | V88-A155 HydrophobicContact CG2-CB 3.8Å; A151-A155 WeakPolarHBondContact O-CB 3.36Å; A151-A155 PolarHBondContact O-N 2.83Å; I152-A155 WeakPolarHBondContact O-CB 3.43Å; I152-A155 PolarHBondContact O-N 2.87Å; I152-A155 VanDerWaalsContact O-N 3.07Å; A153-A155 VanDerWaalsContact C-N 3.33Å; A153-A155 PolarHBondContact O-N 3.26Å; A155-P160 WeakPolarHBondContact O-CD 3.36Å; A155-P160 VanDerWaalsContact O-CG 3.28Å; A155-P160 WeakPolarHBondContact O-CG 3.43Å; A155-L163 HydrophobicContact CB-CD1 3.65Å |
| 156 | L | 92.4 | Very high | 92.7 | Very high | 13 Ų | 13 | 18.4 Ų | 18.4 | 7% | 0.068 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -80.1 | -22.2 | -179.3 | -66.8 | 174.3 | 0 | 0 | 0 | 114.4 | V129 I152 A153 R154 N158 D159 L187 K191 | V129-L156 HydrophobicContact CG1-CD1 4.47Å; I152-L156 HydrophobicContact CG2-CD1 3.87Å; I152-L156 HydrophobicContact CG2-CG 4.3Å; I152-L156 WeakPolarHBondContact O-CG 3.47Å; I152-L156 PolarHBondContact O-N 3.41Å; A153-L156 PolarHBondContact O-N 3.15Å; R154-L156 VanDerWaalsContact C-N 3.3Å; R154-L156 PolarHBondContact O-N 3.23Å; L156-N158 VanDerWaalsContact C-N 3.26Å; L156-N158 PolarHBondContact O-N 3.14Å; L156-N158 VanDerWaalsContact O-N 3.16Å; L156-D159 WeakPolarHBondContact O-CA 3.27Å; L156-D159 PolarHBondContact O-N 2.84Å; L156-L187 HydrophobicContact CD1-CD1 3.81Å; L156-L187 HydrophobicContact CD1-CD2 3.61Å; L156-L187 HydrophobicContact CD1-CG 4.37Å; L156-L187 HydrophobicContact CD2-CD1 4.17Å; L156-L187 HydrophobicContact CD2-CD2 3.83Å; L156-L187 HydrophobicContact CG-CD1 4.4Å; L156-L187 HydrophobicContact CG-CD2 4.37Å; L156-K191 HydrophobicContact CD2-CD 4.18Å |
| 157 | A | 90.8 | Very high | 92.7 | Very high | 4 Ų | 4 | 17.3 Ų | 17.3 | 3% | 0.033 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -37.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V104 M108 R121 A153 D159 | V104-A157 HydrophobicContact CG1-CB 3.73Å; V104-A157 WeakPolarHBondContact O-CB 3.25Å; M108-A157 HydrophobicContact CE-CB 3.83Å; R121-A157 VanDerWaalsContact CZ-O 3.27Å; R121-A157 PolarHBondContact NE-O 3.17Å; R121-A157 VanDerWaalsContact NE-O 3.07Å; R121-A157 PolarHBondContact NH2-O 3.41Å; A153-A157 PolarHBondContact O-N 2.83Å; A157-D159 VanDerWaalsContact C-N 3.25Å; A157-D159 PolarHBondContact O-N 3.43Å |
| 158 | N | 88.6 | Confident | 92.5 | Very high | 27 Ų | 27 | 15.5 Ų | 15.5 | 14% | 0.144 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 2.5 | 177.7 | -87.5 | -12.5 | 0 | 0 | 0 | 114.4 | N82 G107 M108 R121 L156 | N82-N158 PolarHBondContact ND2-ND2 3.35Å; N82-N158 WeakPolarHBondContact O-CB 3.3Å; N82-N158 PolarHBondContact O-ND2 2.84Å; G107-N158 VanDerWaalsContact C-ND2 3.32Å; G107-N158 PolarHBondContact O-ND2 3.1Å; M108-N158 WeakPolarHBondContact CA-OD1 3.33Å; M108-N158 WeakPolarHBondContact CG-OD1 3.45Å; M108-N158 PolarHBondContact N-OD1 2.98Å; R121-N158 VanDerWaalsContact NH2-CA 3.3Å; R121-N158 PolarHBondContact NH2-O 3.27Å; L156-N158 VanDerWaalsContact C-N 3.26Å; L156-N158 PolarHBondContact O-N 3.14Å; L156-N158 VanDerWaalsContact O-N 3.16Å |
| 159 | D | 88.7 | Confident | 92.3 | Very high | 105 Ų | 105 | 16 Ų | 16 | 56% | 0.561 | 8% | 0.083 | S | C | * | . | trans | 56.3 | 60.7 | -175.4 | -167.6 | 33.7 | 0 | 0 | 0 | 112.8 | L156 A157 K191 | L156-D159 WeakPolarHBondContact O-CA 3.27Å; L156-D159 PolarHBondContact O-N 2.84Å; A157-D159 VanDerWaalsContact C-N 3.25Å; A157-D159 PolarHBondContact O-N 3.43Å; D159-K191 IonicContact OD1-NZ 2.88Å; D159-K191 PolarHBondContact OD1-NZ 3.12Å | ||
| 160 | P | 91.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | trans | -72.7 | 151.6 | -173.1 | 33.4 | -39.5 | 0 | 0 | 0 | 112.4 | A155 K191 | A155-P160 WeakPolarHBondContact O-CD 3.36Å; A155-P160 VanDerWaalsContact O-CG 3.28Å; A155-P160 WeakPolarHBondContact O-CG 3.43Å; P160-K191 HydrophobicContact CG-CD 4.5Å; P160-K191 VanDerWaalsContact O-CD 3.26Å; P160-K191 WeakPolarHBondContact O-CD 3.4Å; P160-K191 WeakPolarHBondContact O-CE 3.41Å; P160-K191 PolarHBondContact O-NZ 3.2Å | ||
| 161 | D | 90.7 | Very high | 91 | Very high | 73 Ų | 73 | 19.8 Ų | 19.8 | 39% | 0.39 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -72.6 | -36.4 | 171.6 | -57.6 | -59.6 | 0 | 0 | 0 | 111.6 | M1 S84 L192 | M1-D161 HydrophobicContact CE-CB 3.62Å; M1-D161 VanDerWaalsContact CE-O 3.26Å; M1-D161 WeakPolarHBondContact CE-O 3.28Å; S84-D161 WeakPolarHBondContact CB-OD2 3.28Å; S84-D161 PolarHBondContact O-N 3.23Å; S84-D161 PolarHBondContact OG-OD2 2.87Å; D161-L192 PolarHBondContact O-N 3.16Å; D161-L192 VanDerWaalsContact O-N 3.15Å |
| 162 | I | 93.8 | Very high | 90.7 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.015 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.8 | -173.1 | -51.7 | 178 | 0 | 0 | 0 | 109.5 | M1 L2 S84 I85 G86 L164 L192 I194 | M1-I162 HydrophobicContact CE-CD1 4.33Å; M1-I162 HydrophobicContact CE-CG1 3.56Å; L2-I162 HydrophobicContact CB-CD1 4.24Å; L2-I162 HydrophobicContact CD2-CD1 4.23Å; S84-I162 PolarHBondContact O-N 3.15Å; I85-I162 CarbonylContact C-O 3.52Å; I85-I162 WeakPolarHBondContact CA-O 3.36Å; I85-I162 HydrophobicContact CD1-CB 3.79Å; I85-I162 HydrophobicContact CD1-CD1 4.1Å; I85-I162 HydrophobicContact CD1-CG1 4.39Å; I85-I162 HydrophobicContact CD1-CG2 4.16Å; G86-I162 PolarHBondContact N-O 3.34Å; I162-L164 HydrophobicContact CG2-CD2 3.6Å; I162-L164 HydrophobicContact CG2-CG 4.13Å; I162-L192 CarbonylContact C-O 2.96Å; I162-L192 WeakPolarHBondContact CA-O 3.31Å; I162-L192 HydrophobicContact CD1-CD2 4.38Å; I162-L192 HydrophobicContact CG1-CB 4.49Å; I162-L192 HydrophobicContact CG1-CD2 4.19Å; I162-L192 HydrophobicContact CG2-CD2 4.22Å; I162-L192 HydrophobicContact CG2-CG 4.26Å; I162-I194 HydrophobicContact CG2-CD1 4.41Å |
| 163 | L | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 116.9 | 172.9 | -174.2 | 67 | 0 | 0 | 0 | 109.6 | G86 V88 A155 L187 L192 V193 I194 | G86-L163 CarbonylContact O-C 3.56Å; G86-L163 WeakPolarHBondContact O-CA 3.48Å; V88-L163 HydrophobicContact CG2-CD1 3.94Å; A155-L163 HydrophobicContact CB-CD1 3.65Å; L163-L187 HydrophobicContact CD2-CB 4.41Å; L163-L187 HydrophobicContact CD2-CD1 3.94Å; L163-L192 PolarHBondContact N-O 3.4Å; L163-V193 HydrophobicContact CB-CG2 4.17Å; L163-V193 HydrophobicContact CD2-CG2 4.19Å; L163-V193 CarbonylContact O-C 3.53Å; L163-V193 WeakPolarHBondContact O-CA 3.39Å; L163-I194 PolarHBondContact O-N 2.96Å |
| 164 | L | 95.2 | Very high | 90 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 124 | 179.1 | -56.1 | 180 | 0 | 0 | 0 | 109.5 | L48 I51 I85 G86 F87 V88 I162 I194 | L48-L164 HydrophobicContact CD1-CB 4.22Å; L48-L164 HydrophobicContact CD2-CB 3.89Å; L48-L164 HydrophobicContact CD2-CD1 4.42Å; L48-L164 HydrophobicContact CG-CB 3.98Å; L48-L164 HydrophobicContact CG-CD1 4.49Å; I51-L164 HydrophobicContact CG2-CD1 4.07Å; I51-L164 HydrophobicContact CG2-CD2 3.78Å; I85-L164 HydrophobicContact CD1-CD1 4.26Å; I85-L164 HydrophobicContact CG2-CD1 3.86Å; I85-L164 HydrophobicContact CG2-CG 4.32Å; G86-L164 PolarHBondContact O-N 3.11Å; F87-L164 HydrophobicContact CD2-CB 4.12Å; F87-L164 HydrophobicContact CD2-CD1 4.02Å; F87-L164 HydrophobicContact CE2-CB 4.36Å; F87-L164 HydrophobicContact CE2-CD1 4.14Å; V88-L164 PolarHBondContact N-O 3.12Å; I162-L164 HydrophobicContact CG2-CD2 3.6Å; I162-L164 HydrophobicContact CG2-CG 4.13Å; L164-I194 WeakPolarHBondContact CA-O 3.33Å; L164-I194 HydrophobicContact CD2-CB 3.79Å; L164-I194 HydrophobicContact CD2-CD1 3.92Å; L164-I194 HydrophobicContact CD2-CG1 4.19Å |
| 165 | C | 94.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 111.1 | -177.1 | -63.8 | 0 | 0 | 0 | 0 | 110.7 | L48 V88 P168 I194 M195 V196 | L48-C165 WeakPolarHBondContact CD1-O 3.47Å; V88-C165 HydrophobicContact CB-CB 4.46Å; C165-P168 HydrophobicContact CB-CB 4.26Å; C165-P168 HydrophobicContact CB-CG 3.98Å; C165-I194 PolarHBondContact N-O 3.21Å; C165-M195 HydrophobicContact CB-CB 4.2Å; C165-M195 HydrophobicContact CB-CG 4.11Å; C165-M195 CarbonylContact O-C 3.56Å; C165-M195 VanDerWaalsContact O-CA 3.27Å; C165-M195 WeakPolarHBondContact O-CA 3.36Å; C165-V196 PolarHBondContact O-N 3.36Å |
| 166 | D | 92.5 | Very high | 89.3 | Confident | 13 Ų | 13 | 38.7 Ų | 38.7 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 107.1 | 175.7 | -165.7 | 26.5 | 0 | 0 | 0 | 109.9 | T45 L48 F87 V88 Q90 | T45-D166 WeakPolarHBondContact CG2-OD2 3.4Å; T45-D166 PolarHBondContact OG1-OD1 2.92Å; T45-D166 VanDerWaalsContact OG1-OD1 3.05Å; L48-D166 HydrophobicContact CD1-CB 4.38Å; L48-D166 HydrophobicContact CD2-CB 4.35Å; F87-D166 HydrophobicContact CE1-CB 4.49Å; V88-D166 PolarHBondContact O-N 3.46Å; Q90-D166 VanDerWaalsContact CA-O 3.24Å; Q90-D166 WeakPolarHBondContact CA-O 3.39Å; Q90-D166 WeakPolarHBondContact CB-O 3.45Å; Q90-D166 PolarHBondContact N-O 2.83Å; Q90-D166 VanDerWaalsContact N-O 3.08Å |
| 167 | E | 91.6 | Very high | 89.1 | Confident | 26 Ų | 26 | 38.7 Ų | 38.7 | 12% | 0.121 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 42.7 | 58.6 | -178.4 | -59.1 | -159 | 165.5 | 0 | 0 | 114.5 | Q90 T169 G170 V196 H198 | Q90-E167 HydrophobicContact CB-CB 4.35Å; Q90-E167 HydrophobicContact CG-CB 3.98Å; Q90-E167 PolarHBondContact NE2-OE2 3.12Å; E167-T169 PolarHBondContact O-N 3.3Å; E167-G170 PolarHBondContact O-N 3.09Å; E167-V196 WeakPolarHBondContact CA-O 3.32Å; E167-V196 HydrophobicContact CG-CG1 4.5Å; E167-V196 PolarHBondContact N-O 3.27Å; E167-H198 IonicContact OE1-CE1 3.48Å; E167-H198 IonicContact OE1-CG 3.46Å; E167-H198 IonicContact OE1-ND1 3.58Å; E167-H198 PolarHBondContact OE1-ND1 3.15Å; E167-H198 IonicContact OE2-CE1 3.57Å; E167-H198 IonicContact OE2-ND1 2.88Å; E167-H198 PolarHBondContact OE2-ND1 3.29Å |
| 168 | P | 89.2 | Confident | 89.1 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.019 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -13.8 | -167.4 | 27.5 | -36.9 | 0 | 0 | 0 | 115.2 | Q148 C165 I184 M195 | Q148-P168 WeakPolarHBondContact CG-O 3.45Å; Q148-P168 PolarHBondContact NE2-O 3.03Å; C165-P168 HydrophobicContact CB-CB 4.26Å; C165-P168 HydrophobicContact CB-CG 3.98Å; P168-I184 HydrophobicContact CB-CD1 3.89Å; P168-I184 HydrophobicContact CG-CD1 3.87Å; P168-M195 HydrophobicContact CG-CG 3.88Å; P168-M195 HydrophobicContact CG-SD 3.67Å |
| 169 | T | 88.6 | Confident | 89.2 | Confident | 13 Ų | 13 | 44.3 Ų | 44.3 | 8% | 0.08 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 1.1 | -178.2 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | E167 A171 L172 I180 M181 L202 | E167-T169 PolarHBondContact O-N 3.3Å; T169-A171 PolarHBondContact O-N 3.32Å; T169-A171 VanDerWaalsContact O-N 3.08Å; T169-L172 PolarHBondContact O-N 2.68Å; T169-L172 VanDerWaalsContact O-N 3.15Å; T169-I180 HydrophobicContact CG2-CB 4.42Å; T169-I180 HydrophobicContact CG2-CG2 4.29Å; T169-M181 HydrophobicContact CG2-CG 3.91Å; T169-M181 HydrophobicContact CG2-SD 3.89Å; T169-L202 VanDerWaalsContact OG1-CD1 3.3Å; T169-L202 WeakPolarHBondContact OG1-CD1 3.35Å |
| 170 | G | 81.9 | Confident | 89.3 | Confident | 49 Ų | 49 | 39.3 Ų | 39.3 | 51% | 0.505 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | E167 | E167-G170 PolarHBondContact O-N 3.09Š|
| 171 | A | 79.2 | Confident | 89.3 | Confident | 75 Ų | 75 | 39.3 Ų | 39.3 | 62% | 0.62 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | 17.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T169 | T169-A171 PolarHBondContact O-N 3.32Å; T169-A171 VanDerWaalsContact O-N 3.08Å |
| 172 | L | 85.7 | Confident | 89.4 | Confident | 25 Ų | 25 | 39.5 Ų | 39.5 | 13% | 0.131 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -113 | 151.1 | -173.3 | -57.4 | -178.5 | 0 | 0 | 0 | 111.6 | Y92 G144 Q148 T169 T176 I180 | Y92-L172 WeakPolarHBondContact OH-CD2 3.29Å; G144-L172 VanDerWaalsContact C-CD2 3.42Å; Q148-L172 HydrophobicContact CB-CD1 4.19Å; Q148-L172 HydrophobicContact CG-CD1 4.2Å; T169-L172 PolarHBondContact O-N 2.68Å; T169-L172 VanDerWaalsContact O-N 3.15Å; L172-T176 HydrophobicContact CB-CG2 4.3Å; L172-T176 HydrophobicContact CD1-CG2 4.02Å; L172-T176 HydrophobicContact CD2-CG2 4.34Å; L172-T176 HydrophobicContact CG-CG2 4.46Å; L172-I180 HydrophobicContact CD1-CG1 3.79Å |
| 173 | D | 86.9 | Confident | 89.3 | Confident | 88 Ų | 88 | 39.9 Ų | 39.9 | 47% | 0.471 | 24% | 0.235 | S | C | . | . | trans | -64.9 | 161.6 | 168.7 | 63 | -81.1 | 0 | 0 | 0 | 111.2 | E175 T176 S177 | D173-E175 PolarHBondContact O-N 2.79Å; D173-E175 PolarHBondContact OD2-N 3.21Å; D173-T176 PolarHBondContact O-N 3.23Å; D173-T176 WeakPolarHBondContact OD1-CB 3.43Å; D173-T176 PolarHBondContact OD1-OG1 3.39Å; D173-T176 WeakPolarHBondContact OD2-CB 3.44Å; D173-T176 PolarHBondContact OD2-N 2.78Å; D173-T176 PolarHBondContact OD2-OG1 2.79Å; D173-S177 VanDerWaalsContact O-CB 3.29Å; D173-S177 WeakPolarHBondContact O-CB 3.48Å; D173-S177 PolarHBondContact O-N 3.41Å; D173-S177 PolarHBondContact O-OG 3.35Å | ||
| 174 | T | 86.3 | Confident | 89.2 | Confident | 118 Ų | 118 | 39.9 Ų | 39.9 | 72% | 0.724 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -61.3 | -40.7 | -173.5 | -50.7 | 0 | 0 | 0 | 0 | 112.8 | S177 V178 | T174-S177 WeakPolarHBondContact O-CB 3.42Å; T174-S177 PolarHBondContact O-N 3.15Å; T174-V178 WeakPolarHBondContact O-CG2 3.28Å; T174-V178 PolarHBondContact O-N 3.47Å; T174-V178 VanDerWaalsContact O-N 3.13Å |
| 175 | E | 86.6 | Confident | 89.1 | Confident | 153 Ų | 153 | 43.1 Ų | 43.1 | 72% | 0.715 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -67.5 | -48.5 | -179.3 | -66.9 | -170.9 | 170.6 | 0 | 0 | 111.1 | D173 S177 V178 Q179 | D173-E175 PolarHBondContact O-N 2.79Å; D173-E175 PolarHBondContact OD2-N 3.21Å; E175-S177 VanDerWaalsContact C-N 3.28Å; E175-S177 PolarHBondContact O-N 2.83Å; E175-V178 PolarHBondContact O-N 3.15Å; E175-Q179 WeakPolarHBondContact O-CG 3.32Å; E175-Q179 PolarHBondContact O-N 3.48Å |
| 176 | T | 86.1 | Confident | 89 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 175.2 | -61 | 0 | 0 | 0 | 0 | 111.2 | G145 L172 D173 V178 Q179 I180 | G145-T176 VanDerWaalsContact CA-CG2 3.45Å; L172-T176 HydrophobicContact CB-CG2 4.3Å; L172-T176 HydrophobicContact CD1-CG2 4.02Å; L172-T176 HydrophobicContact CD2-CG2 4.34Å; L172-T176 HydrophobicContact CG-CG2 4.46Å; D173-T176 PolarHBondContact O-N 3.23Å; D173-T176 WeakPolarHBondContact OD1-CB 3.43Å; D173-T176 PolarHBondContact OD1-OG1 3.39Å; D173-T176 WeakPolarHBondContact OD2-CB 3.44Å; D173-T176 PolarHBondContact OD2-N 2.78Å; D173-T176 PolarHBondContact OD2-OG1 2.79Å; T176-V178 VanDerWaalsContact C-N 3.33Å; T176-V178 PolarHBondContact O-N 2.83Å; T176-Q179 WeakPolarHBondContact O-CB 3.41Å; T176-Q179 PolarHBondContact O-N 2.91Å; T176-Q179 VanDerWaalsContact O-N 3.15Å; T176-I180 HydrophobicContact CG2-CG1 4.37Å; T176-I180 WeakPolarHBondContact O-CG1 3.2Å; T176-I180 PolarHBondContact O-N 3.48Å |
| 177 | S | 88.4 | Confident | 89 | Confident | 14 Ų | 14 | 47.7 Ų | 47.7 | 10% | 0.098 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58 | -44.5 | 177.3 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | D173 T174 E175 Q179 I180 M181 | D173-S177 VanDerWaalsContact O-CB 3.29Å; D173-S177 WeakPolarHBondContact O-CB 3.48Å; D173-S177 PolarHBondContact O-N 3.41Å; D173-S177 PolarHBondContact O-OG 3.35Å; T174-S177 WeakPolarHBondContact O-CB 3.42Å; T174-S177 PolarHBondContact O-N 3.15Å; E175-S177 VanDerWaalsContact C-N 3.28Å; E175-S177 PolarHBondContact O-N 2.83Å; S177-Q179 VanDerWaalsContact C-N 3.34Å; S177-Q179 PolarHBondContact O-N 3.32Å; S177-I180 PolarHBondContact O-N 2.91Å; S177-M181 WeakPolarHBondContact O-CB 3.42Å; S177-M181 VanDerWaalsContact O-CG 3.24Å; S177-M181 WeakPolarHBondContact O-CG 3.39Å; S177-M181 PolarHBondContact O-N 2.91Å |
| 178 | V | 90.8 | Very high | 89 | Confident | 55 Ų | 55 | 46.7 Ų | 46.7 | 33% | 0.333 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 176 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | T174 E175 T176 I180 M181 N182 | T174-V178 WeakPolarHBondContact O-CG2 3.28Å; T174-V178 PolarHBondContact O-N 3.47Å; T174-V178 VanDerWaalsContact O-N 3.13Å; E175-V178 PolarHBondContact O-N 3.15Å; T176-V178 VanDerWaalsContact C-N 3.33Å; T176-V178 PolarHBondContact O-N 2.83Å; V178-I180 PolarHBondContact O-N 3.35Å; V178-M181 PolarHBondContact O-N 2.91Å; V178-N182 WeakPolarHBondContact O-CB 3.39Å; V178-N182 VanDerWaalsContact O-CG 3.26Å; V178-N182 PolarHBondContact O-N 3.2Å; V178-N182 PolarHBondContact O-ND2 3.08Å |
| 179 | Q | 89.7 | Confident | 89.2 | Confident | 94 Ų | 94 | 53.7 Ų | 53.7 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 178.8 | -63.7 | 176.3 | 13 | 0 | 0 | 112.6 | E175 T176 S177 L183 | E175-Q179 WeakPolarHBondContact O-CG 3.32Å; E175-Q179 PolarHBondContact O-N 3.48Å; T176-Q179 WeakPolarHBondContact O-CB 3.41Å; T176-Q179 PolarHBondContact O-N 2.91Å; T176-Q179 VanDerWaalsContact O-N 3.15Å; S177-Q179 VanDerWaalsContact C-N 3.34Å; S177-Q179 PolarHBondContact O-N 3.32Å; Q179-L183 PolarHBondContact O-N 2.8Å; Q179-L183 VanDerWaalsContact O-N 3.1Å |
| 180 | I | 90.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 176.3 | -65.6 | -62.5 | 0 | 0 | 0 | 110.8 | Q148 R149 I152 T169 L172 T176 S177 V178 L183 I184 | Q148-I180 HydrophobicContact CB-CD1 4.19Å; Q148-I180 HydrophobicContact CG-CD1 4.13Å; Q148-I180 HydrophobicContact CG-CG1 4.4Å; Q148-I180 HydrophobicContact CG-CG2 4.28Å; R149-I180 HydrophobicContact CG-CD1 3.63Å; I152-I180 HydrophobicContact CD1-CD1 4.12Å; I152-I180 HydrophobicContact CD1-CG2 4.02Å; T169-I180 HydrophobicContact CG2-CB 4.42Å; T169-I180 HydrophobicContact CG2-CG2 4.29Å; L172-I180 HydrophobicContact CD1-CG1 3.79Å; T176-I180 HydrophobicContact CG2-CG1 4.37Å; T176-I180 WeakPolarHBondContact O-CG1 3.2Å; T176-I180 PolarHBondContact O-N 3.48Å; S177-I180 PolarHBondContact O-N 2.91Å; V178-I180 PolarHBondContact O-N 3.35Å; I180-L183 WeakPolarHBondContact O-CB 3.16Å; I180-L183 PolarHBondContact O-N 3.32Å; I180-I184 HydrophobicContact CG2-CD1 3.83Å; I180-I184 HydrophobicContact CG2-CG1 4.43Å; I180-I184 WeakPolarHBondContact O-CG1 3.49Å; I180-I184 PolarHBondContact O-N 3.03Å |
| 181 | M | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 178.5 | -70.3 | -56.3 | -60.5 | 0 | 0 | 112.5 | F33 T169 S177 V178 L183 I184 Q185 M195 L202 Y206 | F33-M181 HydrophobicContact CE1-CE 4.22Å; F33-M181 HydrophobicContact CZ-CE 3.78Å; T169-M181 HydrophobicContact CG2-CG 3.91Å; T169-M181 HydrophobicContact CG2-SD 3.89Å; S177-M181 WeakPolarHBondContact O-CB 3.42Å; S177-M181 VanDerWaalsContact O-CG 3.24Å; S177-M181 WeakPolarHBondContact O-CG 3.39Å; S177-M181 PolarHBondContact O-N 2.91Å; V178-M181 PolarHBondContact O-N 2.91Å; M181-L183 VanDerWaalsContact C-N 3.31Å; M181-L183 PolarHBondContact O-N 2.89Å; M181-I184 PolarHBondContact O-N 3.44Å; M181-Q185 WeakPolarHBondContact O-CB 3.27Å; M181-Q185 PolarHBondContact O-N 2.97Å; M181-M195 HydrophobicContact CE-CE 3.83Å; M181-M195 HydrophobicContact CE-SD 3.76Å; M181-M195 HydrophobicContact SD-SD 3.87Å; M181-L202 HydrophobicContact CG-CD2 4.31Å; M181-Y206 HydrophobicContact CB-CD1 4Å; M181-Y206 HydrophobicContact CB-CD2 3.91Å; M181-Y206 HydrophobicContact CB-CE1 3.85Å; M181-Y206 HydrophobicContact CB-CE2 3.73Å; M181-Y206 HydrophobicContact CB-CG 4.04Å; M181-Y206 HydrophobicContact CE-CD2 3.61Å; M181-Y206 HydrophobicContact CE-CE2 4.41Å; M181-Y206 HydrophobicContact CE-CG 3.76Å; M181-Y206 HydrophobicContact CG-CD2 4.14Å; M181-Y206 HydrophobicContact CG-CE2 4.02Å |
| 182 | N | 92.2 | Very high | 90.5 | Very high | 77 Ų | 77 | 52.6 Ų | 52.6 | 41% | 0.412 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 174.1 | -71.9 | -19.9 | 0 | 0 | 0 | 111.5 | V178 Q185 E186 Y206 | V178-N182 WeakPolarHBondContact O-CB 3.39Å; V178-N182 VanDerWaalsContact O-CG 3.26Å; V178-N182 PolarHBondContact O-N 3.2Å; V178-N182 PolarHBondContact O-ND2 3.08Å; N182-Q185 PolarHBondContact O-N 2.7Å; N182-E186 PolarHBondContact O-N 3.47Å; N182-Y206 WeakPolarHBondContact OD1-CE1 3.5Å |
| 183 | L | 91.4 | Very high | 90.9 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 6% | 0.063 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 175.8 | 177.2 | 65.1 | 0 | 0 | 0 | 111.5 | V129 I152 Q179 I180 M181 Q185 E186 L187 | V129-L183 HydrophobicContact CB-CD2 4.11Å; V129-L183 HydrophobicContact CG1-CD2 3.99Å; I152-L183 HydrophobicContact CD1-CD2 4Å; I152-L183 HydrophobicContact CG2-CD2 4.18Å; Q179-L183 PolarHBondContact O-N 2.8Å; Q179-L183 VanDerWaalsContact O-N 3.1Å; I180-L183 WeakPolarHBondContact O-CB 3.16Å; I180-L183 PolarHBondContact O-N 3.32Å; M181-L183 VanDerWaalsContact C-N 3.31Å; M181-L183 PolarHBondContact O-N 2.89Å; L183-Q185 VanDerWaalsContact C-N 3.32Å; L183-Q185 PolarHBondContact O-N 3.22Å; L183-E186 WeakPolarHBondContact O-CB 3.47Å; L183-E186 PolarHBondContact O-N 3.24Å; L183-L187 HydrophobicContact CG-CD1 4.27Å; L183-L187 VanDerWaalsContact O-CG 3.25Å; L183-L187 WeakPolarHBondContact O-CG 3.25Å; L183-L187 PolarHBondContact O-N 3.09Å |
| 184 | I | 93.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.4 | -39.5 | 178.3 | -68.6 | 171.6 | 0 | 0 | 0 | 111.3 | F33 I152 P168 I180 M181 E186 L187 S188 V193 | F33-I184 HydrophobicContact CE1-CG2 3.84Å; F33-I184 HydrophobicContact CE2-CG2 4.29Å; F33-I184 HydrophobicContact CZ-CG2 3.66Å; I152-I184 HydrophobicContact CD1-CG1 4.41Å; P168-I184 HydrophobicContact CB-CD1 3.89Å; P168-I184 HydrophobicContact CG-CD1 3.87Å; I180-I184 HydrophobicContact CG2-CD1 3.83Å; I180-I184 HydrophobicContact CG2-CG1 4.43Å; I180-I184 WeakPolarHBondContact O-CG1 3.49Å; I180-I184 PolarHBondContact O-N 3.03Å; M181-I184 PolarHBondContact O-N 3.44Å; I184-E186 VanDerWaalsContact C-N 3.32Å; I184-L187 PolarHBondContact O-N 3.4Å; I184-S188 PolarHBondContact O-N 2.93Å; I184-V193 HydrophobicContact CG2-CG1 3.54Å |
| 185 | Q | 92.8 | Very high | 91.7 | Very high | 67 Ų | 67 | 41.7 Ų | 41.7 | 31% | 0.313 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.4 | -31.3 | 175.6 | -172.4 | 179.1 | 46.8 | 0 | 0 | 112.6 | F33 M181 N182 L183 S188 Y206 | F33-Q185 HydrophobicContact CD1-CB 4.23Å; F33-Q185 HydrophobicContact CD1-CG 4.41Å; F33-Q185 HydrophobicContact CE1-CB 4.2Å; M181-Q185 WeakPolarHBondContact O-CB 3.27Å; M181-Q185 PolarHBondContact O-N 2.97Å; N182-Q185 PolarHBondContact O-N 2.7Å; L183-Q185 VanDerWaalsContact C-N 3.32Å; L183-Q185 PolarHBondContact O-N 3.22Å; Q185-S188 PolarHBondContact O-OG 3.11Å; Q185-Y206 PolarHBondContact NE2-O 3.43Å |
| 186 | E | 92.6 | Very high | 92.1 | Very high | 108 Ų | 108 | 34.4 Ų | 34.4 | 51% | 0.505 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68 | -42.2 | 171.6 | -170 | -179 | 172.8 | 0 | 0 | 111 | N182 L183 I184 S188 K189 | N182-E186 PolarHBondContact O-N 3.47Å; L183-E186 WeakPolarHBondContact O-CB 3.47Å; L183-E186 PolarHBondContact O-N 3.24Å; I184-E186 VanDerWaalsContact C-N 3.32Å; E186-S188 VanDerWaalsContact C-N 3.29Å; E186-S188 PolarHBondContact O-N 3.33Å; E186-K189 WeakPolarHBondContact O-CB 3.34Å; E186-K189 PolarHBondContact O-N 3.09Å |
| 187 | L | 92 | Very high | 92.3 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.5 | -30 | 178.2 | -64.6 | 168.4 | 0 | 0 | 0 | 113 | R128 I152 L156 L163 L183 I184 K189 E190 K191 | R128-L187 VanDerWaalsContact CZ-CD2 3.49Å; I152-L187 HydrophobicContact CG2-CD1 3.82Å; L156-L187 HydrophobicContact CD1-CD1 3.81Å; L156-L187 HydrophobicContact CD1-CD2 3.61Å; L156-L187 HydrophobicContact CD1-CG 4.37Å; L156-L187 HydrophobicContact CD2-CD1 4.17Å; L156-L187 HydrophobicContact CD2-CD2 3.83Å; L156-L187 HydrophobicContact CG-CD1 4.4Å; L156-L187 HydrophobicContact CG-CD2 4.37Å; L163-L187 HydrophobicContact CD2-CB 4.41Å; L163-L187 HydrophobicContact CD2-CD1 3.94Å; L183-L187 HydrophobicContact CG-CD1 4.27Å; L183-L187 VanDerWaalsContact O-CG 3.25Å; L183-L187 WeakPolarHBondContact O-CG 3.25Å; L183-L187 PolarHBondContact O-N 3.09Å; I184-L187 PolarHBondContact O-N 3.4Å; L187-K189 PolarHBondContact O-N 3.03Å; L187-E190 PolarHBondContact O-N 3.32Å; L187-E190 VanDerWaalsContact O-N 3.14Å; L187-K191 PolarHBondContact O-N 3.03Å; L187-K191 VanDerWaalsContact O-N 3.09Å |
| 188 | S | 92.4 | Very high | 92.3 | Very high | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -18.7 | 178.4 | 70 | 0 | 0 | 0 | 0 | 113.8 | Q31 I184 Q185 E186 E190 K191 | Q31-S188 CarbonylContact C-O 3.53Å; Q31-S188 VanDerWaalsContact CA-O 3.3Å; Q31-S188 WeakPolarHBondContact CA-O 3.45Å; I184-S188 PolarHBondContact O-N 2.93Å; Q185-S188 PolarHBondContact O-OG 3.11Å; E186-S188 VanDerWaalsContact C-N 3.29Å; E186-S188 PolarHBondContact O-N 3.33Å; S188-E190 PolarHBondContact O-N 2.9Å; S188-K191 CarbonylContact C-O 3.58Å; S188-K191 WeakPolarHBondContact CA-O 3.46Å |
| 189 | K | 91.8 | Very high | 92.3 | Very high | 149 Ų | 149 | 37.7 Ų | 37.7 | 65% | 0.648 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -24.8 | 174 | -60.9 | 177.7 | -177.7 | 174.3 | 0 | 112.6 | E186 L187 | E186-K189 WeakPolarHBondContact O-CB 3.34Å; E186-K189 PolarHBondContact O-N 3.09Å; L187-K189 PolarHBondContact O-N 3.03Å |
| 190 | E | 90.9 | Very high | 92.2 | Very high | 99 Ų | 99 | 36.3 Ų | 36.3 | 46% | 0.463 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -26.6 | -177.6 | -68.5 | 171.9 | -155.3 | 0 | 0 | 112.7 | Q31 R128 L187 S188 | Q31-E190 WeakPolarHBondContact CG-O 3.33Å; Q31-E190 PolarHBondContact NE2-O 3.28Å; R128-E190 IonicContact CZ-OE1 2.59Å; R128-E190 IonicContact CZ-OE2 2.62Å; R128-E190 VanDerWaalsContact CZ-OE2 3.31Å; R128-E190 IonicContact NH1-OE2 2.94Å; R128-E190 PolarHBondContact NH1-OE2 3.49Å; R128-E190 IonicContact NH2-OE1 2.73Å; R128-E190 PolarHBondContact NH2-OE1 3.45Å; R128-E190 IonicContact NH2-OE2 3.86Å; R128-E190 PolarHBondContact NH2-OE2 2.86Å; L187-E190 PolarHBondContact O-N 3.32Å; L187-E190 VanDerWaalsContact O-N 3.14Å; S188-E190 PolarHBondContact O-N 2.9Å |
| 191 | K | 92.1 | Very high | 92 | Very high | 16 Ų | 16 | 43.6 Ų | 43.6 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -139.1 | 159 | -167.9 | -60.3 | 173.8 | -177.5 | -65.4 | 0 | 111.5 | Q31 L156 D159 P160 L187 S188 V193 | Q31-K191 WeakPolarHBondContact CA-O 3.16Å; L156-K191 HydrophobicContact CD2-CD 4.18Å; D159-K191 IonicContact OD1-NZ 2.88Å; D159-K191 PolarHBondContact OD1-NZ 3.12Å; P160-K191 HydrophobicContact CG-CD 4.5Å; P160-K191 VanDerWaalsContact O-CD 3.26Å; P160-K191 WeakPolarHBondContact O-CD 3.4Å; P160-K191 WeakPolarHBondContact O-CE 3.41Å; P160-K191 PolarHBondContact O-NZ 3.2Å; L187-K191 PolarHBondContact O-N 3.03Å; L187-K191 VanDerWaalsContact O-N 3.09Å; S188-K191 CarbonylContact C-O 3.58Å; S188-K191 WeakPolarHBondContact CA-O 3.46Å; K191-V193 PolarHBondContact O-N 3.08Å |
| 192 | L | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 123.1 | 169.4 | 168.7 | 59.1 | 0 | 0 | 0 | 109.2 | M1 F28 R29 E32 V34 D161 I162 L163 I194 | M1-L192 HydrophobicContact CE-CB 3.83Å; M1-L192 HydrophobicContact CE-CD2 4.38Å; M1-L192 HydrophobicContact SD-CB 3.65Å; M1-L192 HydrophobicContact SD-CD2 3.66Å; M1-L192 HydrophobicContact SD-CG 4.3Å; F28-L192 HydrophobicContact CB-CD1 4.08Å; F28-L192 HydrophobicContact CB-CD2 3.54Å; F28-L192 HydrophobicContact CB-CG 4.49Å; F28-L192 HydrophobicContact CD1-CD1 4.35Å; F28-L192 HydrophobicContact CG-CD2 4.21Å; R29-L192 WeakPolarHBondContact O-CD1 3.28Å; E32-L192 HydrophobicContact CB-CD1 4.21Å; E32-L192 WeakPolarHBondContact O-CD1 3.43Å; V34-L192 HydrophobicContact CG2-CD1 4.35Å; D161-L192 PolarHBondContact O-N 3.16Å; D161-L192 VanDerWaalsContact O-N 3.15Å; I162-L192 CarbonylContact C-O 2.96Å; I162-L192 WeakPolarHBondContact CA-O 3.31Å; I162-L192 HydrophobicContact CD1-CD2 4.38Å; I162-L192 HydrophobicContact CG1-CB 4.49Å; I162-L192 HydrophobicContact CG1-CD2 4.19Å; I162-L192 HydrophobicContact CG2-CD2 4.22Å; I162-L192 HydrophobicContact CG2-CG 4.26Å; L163-L192 PolarHBondContact N-O 3.4Å; L192-I194 HydrophobicContact CD1-CG1 4.08Å; L192-I194 HydrophobicContact CD2-CD1 4.21Å; L192-I194 HydrophobicContact CD2-CG1 4.46Å; L192-I194 HydrophobicContact CG-CD1 4.4Å; L192-I194 HydrophobicContact CG-CG1 4.12Å |
| 193 | V | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 124 | 175.4 | 176.7 | 0 | 0 | 0 | 0 | 109.2 | E32 F33 V34 L163 I184 K191 | E32-V193 PolarHBondContact O-N 2.95Å; F33-V193 HydrophobicContact CD2-CB 4.29Å; F33-V193 HydrophobicContact CD2-CG1 3.93Å; F33-V193 HydrophobicContact CE2-CG1 3.97Å; F33-V193 HydrophobicContact CG-CG1 4.48Å; V34-V193 PolarHBondContact N-O 3.5Å; L163-V193 HydrophobicContact CB-CG2 4.17Å; L163-V193 HydrophobicContact CD2-CG2 4.19Å; L163-V193 CarbonylContact O-C 3.53Å; L163-V193 WeakPolarHBondContact O-CA 3.39Å; I184-V193 HydrophobicContact CG2-CG1 3.54Å; K191-V193 PolarHBondContact O-N 3.08Å |
| 194 | I | 95 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 110.6 | 173 | -54.6 | 174 | 0 | 0 | 0 | 108.2 | L2 F28 V34 I36 I51 I162 L163 L164 C165 L192 | L2-I194 HydrophobicContact CD2-CD1 4.05Å; F28-I194 HydrophobicContact CD1-CD1 3.73Å; F28-I194 HydrophobicContact CD1-CG1 4.03Å; F28-I194 HydrophobicContact CD2-CD1 4.27Å; F28-I194 HydrophobicContact CE1-CD1 3.6Å; F28-I194 HydrophobicContact CE1-CG1 3.94Å; F28-I194 HydrophobicContact CE1-CG2 4.41Å; F28-I194 HydrophobicContact CE2-CD1 4.14Å; F28-I194 HydrophobicContact CG-CD1 4.08Å; F28-I194 HydrophobicContact CZ-CD1 3.82Å; V34-I194 CarbonylContact O-C 3.53Å; V34-I194 WeakPolarHBondContact O-CA 3.5Å; I36-I194 HydrophobicContact CD1-CG2 3.54Å; I36-I194 HydrophobicContact CG1-CG2 4.11Å; I51-I194 HydrophobicContact CD1-CD1 4.17Å; I51-I194 HydrophobicContact CG2-CD1 4.16Å; I162-I194 HydrophobicContact CG2-CD1 4.41Å; L163-I194 PolarHBondContact O-N 2.96Å; L164-I194 WeakPolarHBondContact CA-O 3.33Å; L164-I194 HydrophobicContact CD2-CB 3.79Å; L164-I194 HydrophobicContact CD2-CD1 3.92Å; L164-I194 HydrophobicContact CD2-CG1 4.19Å; C165-I194 PolarHBondContact N-O 3.21Å; L192-I194 HydrophobicContact CD1-CG1 4.08Å; L192-I194 HydrophobicContact CD2-CD1 4.21Å; L192-I194 HydrophobicContact CD2-CG1 4.46Å; L192-I194 HydrophobicContact CG-CD1 4.4Å; L192-I194 HydrophobicContact CG-CG1 4.12Å |
| 195 | M | 94.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 132.5 | 179.9 | -176.3 | -176.5 | 66.3 | 0 | 0 | 111 | F33 V34 A35 I36 C165 P168 M181 T197 | F33-M195 HydrophobicContact CE2-CB 3.76Å; F33-M195 HydrophobicContact CE2-CE 4.03Å; F33-M195 HydrophobicContact CE2-SD 4.26Å; F33-M195 HydrophobicContact CZ-CB 4.48Å; F33-M195 HydrophobicContact CZ-CE 4.07Å; F33-M195 HydrophobicContact CZ-SD 4.12Å; V34-M195 PolarHBondContact O-N 2.97Å; A35-M195 CarbonylContact C-O 3.54Å; A35-M195 WeakPolarHBondContact CA-O 3.25Å; A35-M195 HydrophobicContact CB-CE 4.09Å; I36-M195 PolarHBondContact N-O 3.48Å; C165-M195 HydrophobicContact CB-CB 4.2Å; C165-M195 HydrophobicContact CB-CG 4.11Å; C165-M195 CarbonylContact O-C 3.56Å; C165-M195 VanDerWaalsContact O-CA 3.27Å; C165-M195 WeakPolarHBondContact O-CA 3.36Å; P168-M195 HydrophobicContact CG-CG 3.88Å; P168-M195 HydrophobicContact CG-SD 3.67Å; M181-M195 HydrophobicContact CE-CE 3.83Å; M181-M195 HydrophobicContact CE-SD 3.76Å; M181-M195 HydrophobicContact SD-SD 3.87Å; M195-T197 HydrophobicContact CE-CG2 3.87Å |
| 196 | V | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 131.1 | 167.2 | 167.9 | 0 | 0 | 0 | 0 | 109.1 | I36 K44 L48 C165 E167 | I36-V196 HydrophobicContact CB-CG2 4.15Å; I36-V196 HydrophobicContact CD1-CG2 4.3Å; K44-V196 HydrophobicContact CB-CB 4.31Å; K44-V196 HydrophobicContact CB-CG1 3.39Å; K44-V196 HydrophobicContact CB-CG2 3.91Å; K44-V196 HydrophobicContact CD-CG1 3.91Å; K44-V196 HydrophobicContact CG-CG1 4.27Å; L48-V196 HydrophobicContact CB-CG2 3.95Å; L48-V196 HydrophobicContact CD1-CB 4.14Å; L48-V196 HydrophobicContact CD1-CG2 3.53Å; L48-V196 HydrophobicContact CG-CG2 4.37Å; C165-V196 PolarHBondContact O-N 3.36Å; E167-V196 WeakPolarHBondContact CA-O 3.32Å; E167-V196 HydrophobicContact CG-CG1 4.5Å; E167-V196 PolarHBondContact N-O 3.27Å |
| 197 | T | 91.5 | Very high | 91.1 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 153.1 | 176.4 | -175.3 | 0 | 0 | 0 | 0 | 111.4 | I36 L37 G38 M195 N199 A203 | I36-T197 PolarHBondContact O-N 2.79Å; I36-T197 VanDerWaalsContact O-N 3.07Å; L37-T197 WeakPolarHBondContact CA-O 3.43Å; L37-T197 HydrophobicContact CD1-CG2 4.28Å; G38-T197 PolarHBondContact N-O 3.14Å; M195-T197 HydrophobicContact CE-CG2 3.87Å; T197-N199 PolarHBondContact OG1-N 3.26Å; T197-A203 HydrophobicContact CG2-CB 4.07Å |
| 198 | H | 89.3 | Confident | 91 | Very high | 107 Ų | 107 | 49.5 Ų | 49.5 | 50% | 0.495 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -101.3 | -2.6 | 166.6 | 63.6 | -93.1 | 0 | 0 | 0 | 112.3 | E167 P200 | E167-H198 IonicContact OE1-CE1 3.48Å; E167-H198 IonicContact OE1-CG 3.46Å; E167-H198 IonicContact OE1-ND1 3.58Å; E167-H198 PolarHBondContact OE1-ND1 3.15Å; E167-H198 IonicContact OE2-CE1 3.57Å; E167-H198 IonicContact OE2-ND1 2.88Å; E167-H198 PolarHBondContact OE2-ND1 3.29Å; H198-P200 WeakPolarHBondContact O-CD 3.34Å |
| 199 | N | 88.9 | Confident | 91.1 | Very high | 50 Ų | 50 | 49.3 Ų | 49.3 | 27% | 0.267 | 24% | 0.242 | S | C | . | . | trans | -95.2 | 108.7 | 179.4 | -174.8 | -26.5 | 0 | 0 | 0 | 110.6 | T197 E201 L202 A203 | T197-N199 PolarHBondContact OG1-N 3.26Å; N199-E201 VanDerWaalsContact C-N 3.32Å; N199-E201 PolarHBondContact O-N 2.71Å; N199-E201 WeakPolarHBondContact OD1-CB 3.33Å; N199-E201 PolarHBondContact OD1-N 3.01Å; N199-L202 HydrophobicContact CB-CB 4.38Å; N199-L202 HydrophobicContact CB-CD1 4.1Å; N199-L202 HydrophobicContact CB-CG 4.18Å; N199-L202 PolarHBondContact O-N 3.28Å; N199-L202 PolarHBondContact OD1-N 3.21Å; N199-A203 PolarHBondContact O-N 3.31Å | ||
| 200 | P | 87.9 | Confident | 91.1 | Very high | 65 Ų | 65 | 42.7 Ų | 42.7 | 42% | 0.422 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.9 | -31 | -179.9 | -18.8 | 32.3 | 0 | 0 | 0 | 113.6 | L37 H198 A203 N204 | L37-P200 HydrophobicContact CD1-CB 4.31Å; L37-P200 HydrophobicContact CD1-CG 4.11Å; L37-P200 HydrophobicContact CD2-CB 3.93Å; L37-P200 HydrophobicContact CD2-CG 4.22Å; H198-P200 WeakPolarHBondContact O-CD 3.34Å; P200-A203 PolarHBondContact O-N 3.02Å; P200-N204 WeakPolarHBondContact O-CB 3.47Å; P200-N204 PolarHBondContact O-N 2.73Å; P200-N204 PolarHBondContact O-ND2 3.24Å |
| 201 | E | 87.7 | Confident | 91.1 | Very high | 152 Ų | 152 | 38 Ų | 38 | 71% | 0.71 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -65.3 | -43.1 | -178.6 | -58.6 | -176.6 | 169.3 | 0 | 0 | 110.8 | N199 K205 | N199-E201 VanDerWaalsContact C-N 3.32Å; N199-E201 PolarHBondContact O-N 2.71Å; N199-E201 WeakPolarHBondContact OD1-CB 3.33Å; N199-E201 PolarHBondContact OD1-N 3.01Å; E201-K205 WeakPolarHBondContact O-CB 3.34Å; E201-K205 PolarHBondContact O-N 3.31Å |
| 202 | L | 87 | Confident | 91.2 | Very high | 26 Ų | 26 | 42.4 Ų | 42.4 | 14% | 0.136 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.2 | -39.4 | 175.9 | -64.2 | -178.4 | 0 | 0 | 0 | 111.7 | T169 M181 N199 Y206 | T169-L202 VanDerWaalsContact OG1-CD1 3.3Å; T169-L202 WeakPolarHBondContact OG1-CD1 3.35Å; M181-L202 HydrophobicContact CG-CD2 4.31Å; N199-L202 HydrophobicContact CB-CB 4.38Å; N199-L202 HydrophobicContact CB-CD1 4.1Å; N199-L202 HydrophobicContact CB-CG 4.18Å; N199-L202 PolarHBondContact O-N 3.28Å; N199-L202 PolarHBondContact OD1-N 3.21Å; L202-Y206 HydrophobicContact CD2-CD2 4.35Å; L202-Y206 HydrophobicContact CD2-CE2 3.91Å; L202-Y206 WeakPolarHBondContact O-CD2 3.37Å; L202-Y206 PolarHBondContact O-N 3.04Å |
| 203 | A | 86.9 | Confident | 91 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.6 | -53.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A35 T197 N199 P200 K205 A207 T210 | A35-A203 HydrophobicContact CB-CB 3.75Å; T197-A203 HydrophobicContact CG2-CB 4.07Å; N199-A203 PolarHBondContact O-N 3.31Å; P200-A203 PolarHBondContact O-N 3.02Å; A203-K205 VanDerWaalsContact C-N 3.33Å; A203-K205 PolarHBondContact O-N 3.24Å; A203-A207 WeakPolarHBondContact O-CB 3.06Å; A203-A207 PolarHBondContact O-N 2.86Å; A203-T210 HydrophobicContact CB-CG2 4.39Å |
| 204 | N | 89.7 | Confident | 90.7 | Very high | 107 Ų | 107 | 44.7 Ų | 44.7 | 57% | 0.572 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -69.1 | -29.6 | -175.8 | -67.5 | -28.7 | 0 | 0 | 0 | 113.4 | P200 | P200-N204 WeakPolarHBondContact O-CB 3.47Å; P200-N204 PolarHBondContact O-N 2.73Å; P200-N204 PolarHBondContact O-ND2 3.24Å |
| 205 | K | 90.2 | Very high | 90.4 | Very high | 146 Ų | 146 | 50.7 Ų | 50.7 | 64% | 0.635 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -79.7 | -34.2 | -176.4 | -174.5 | 174.5 | 179.5 | -179.1 | 0 | 113.4 | E201 A203 | E201-K205 WeakPolarHBondContact O-CB 3.34Å; E201-K205 PolarHBondContact O-N 3.31Å; A203-K205 VanDerWaalsContact C-N 3.33Å; A203-K205 PolarHBondContact O-N 3.24Å |
| 206 | Y | 90.7 | Very high | 90 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -115.2 | -28.6 | -170 | -63.1 | -79.8 | 0 | 0 | 0 | 114.6 | F33 M181 N182 Q185 L202 | F33-Y206 VanDerWaalsContact CD1-O 3.28Å; F33-Y206 WeakPolarHBondContact CD1-O 3.48Å; M181-Y206 HydrophobicContact CB-CD1 4Å; M181-Y206 HydrophobicContact CB-CD2 3.91Å; M181-Y206 HydrophobicContact CB-CE1 3.85Å; M181-Y206 HydrophobicContact CB-CE2 3.73Å; M181-Y206 HydrophobicContact CB-CG 4.04Å; M181-Y206 HydrophobicContact CE-CD2 3.61Å; M181-Y206 HydrophobicContact CE-CE2 4.41Å; M181-Y206 HydrophobicContact CE-CG 3.76Å; M181-Y206 HydrophobicContact CG-CD2 4.14Å; M181-Y206 HydrophobicContact CG-CE2 4.02Å; N182-Y206 WeakPolarHBondContact OD1-CE1 3.5Å; Q185-Y206 PolarHBondContact NE2-O 3.43Å; L202-Y206 HydrophobicContact CD2-CD2 4.35Å; L202-Y206 HydrophobicContact CD2-CE2 3.91Å; L202-Y206 WeakPolarHBondContact O-CD2 3.37Å; L202-Y206 PolarHBondContact O-N 3.04Å |
| 207 | A | 90.8 | Very high | 89.9 | Confident | 16 Ų | 16 | 57 Ų | 57 | 13% | 0.132 | 28% | 0.28 | C | S | . | . | trans | -87.3 | 142.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F33 A35 A203 R209 | F33-A207 HydrophobicContact CD2-CB 4.01Å; F33-A207 HydrophobicContact CE2-CB 4.31Å; F33-A207 HydrophobicContact CG-CB 4.25Å; A35-A207 HydrophobicContact CB-CB 3.52Å; A203-A207 WeakPolarHBondContact O-CB 3.06Å; A203-A207 PolarHBondContact O-N 2.86Å; A207-R209 VanDerWaalsContact C-N 3.34Å | ||
| 208 | D | 91.2 | Very high | 89.8 | Confident | 86 Ų | 86 | 58.9 Ų | 58.9 | 46% | 0.46 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -75.9 | -28.3 | 175.1 | -54 | -56.6 | 0 | 0 | 0 | 111.5 | F33 H223 | F33-D208 WeakPolarHBondContact CB-OD2 3.11Å; F33-D208 PolarHBondContact N-OD2 2.7Å; F33-D208 PolarHBondContact O-N 3.46Å; D208-H223 PolarHBondContact O-CE1 2.6Å; D208-H223 PolarHBondContact O-ND1 3.35Å |
| 209 | R | 92.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 131.6 | -178.5 | -179.7 | 176.5 | 178.1 | -167.7 | 0.6 | 110.3 | A27 E32 F33 V34 A35 A207 D221 S222 H223 | A27-R209 PolarHBondContact O-NH1 2.95Å; A27-R209 PolarHBondContact O-NH2 2.78Å; E32-R209 VanDerWaalsContact OE1-CD 3.31Å; E32-R209 WeakPolarHBondContact OE1-CD 3.39Å; E32-R209 IonicContact OE1-NH1 3.65Å; E32-R209 IonicContact OE2-NH1 2.87Å; F33-R209 PolarHBondContact O-N 3.48Å; F33-R209 VanDerWaalsContact O-N 3.14Å; V34-R209 CarbonylContact C-O 3.58Å; V34-R209 WeakPolarHBondContact CA-O 3.47Å; V34-R209 HydrophobicContact CG1-CG 4.39Å; V34-R209 HydrophobicContact CG2-CB 4.24Å; A35-R209 PolarHBondContact N-O 2.92Å; A207-R209 VanDerWaalsContact C-N 3.34Å; R209-D221 IonicContact CZ-OD1 3.81Å; R209-D221 IonicContact CZ-OD2 3.14Å; R209-D221 IonicContact NE-OD1 2.84Å; R209-D221 PolarHBondContact NE-OD1 2.84Å; R209-D221 IonicContact NE-OD2 2.71Å; R209-D221 PolarHBondContact NE-OD2 2.78Å; R209-D221 IonicContact NH2-OD1 3.2Å; R209-D221 IonicContact NH2-OD2 2.78Å; R209-D221 PolarHBondContact NH2-OD2 3.23Å; R209-S222 WeakPolarHBondContact CA-OG 3.39Å; R209-H223 HydrophobicContact CB-CB 4.31Å; R209-H223 VanDerWaalsContact CD-O 3.28Å; R209-H223 WeakPolarHBondContact CD-O 3.46Å; R209-H223 HydrophobicContact CG-CB 4.02Å; R209-H223 PolarHBondContact NE-O 2.72Å |
| 210 | T | 92 | Very high | 89.8 | Confident | 10 Ų | 10 | 60.1 Ų | 60.1 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 126.6 | 176.8 | -60.2 | 0 | 0 | 0 | 0 | 109.8 | A35 L37 A203 S222 | A35-T210 CarbonylContact O-C 3.58Å; A35-T210 WeakPolarHBondContact O-CA 3.21Å; L37-T210 HydrophobicContact CB-CG2 4.07Å; L37-T210 HydrophobicContact CD2-CG2 4.41Å; A203-T210 HydrophobicContact CB-CG2 4.39Å; T210-S222 PolarHBondContact N-OG 3.27Å; T210-S222 PolarHBondContact O-N 3.11Å |
| 211 | I | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 115.2 | 176 | -59.2 | 175.5 | 0 | 0 | 0 | 107.7 | V26 F28 V34 A35 I36 L37 I218 D220 | V26-I211 HydrophobicContact CG2-CD1 3.87Å; F28-I211 HydrophobicContact CE1-CD1 4.17Å; V34-I211 HydrophobicContact CG1-CD1 3.55Å; V34-I211 HydrophobicContact CG1-CG1 3.9Å; A35-I211 PolarHBondContact O-N 2.85Å; I36-I211 CarbonylContact C-O 3.59Å; I36-I211 WeakPolarHBondContact CA-O 3.1Å; L37-I211 PolarHBondContact N-O 2.89Å; I211-I218 HydrophobicContact CG2-CB 4.44Å; I211-I218 HydrophobicContact CG2-CD1 4.21Å; I211-I218 HydrophobicContact CG2-CG1 3.98Å; I211-I218 HydrophobicContact CG2-CG2 3.75Å; I211-D220 CarbonylContact C-O 3.56Å; I211-D220 WeakPolarHBondContact CA-O 3.36Å |
| 212 | R | 92.8 | Very high | 89.9 | Confident | 110 Ų | 110 | 53.8 Ų | 53.8 | 42% | 0.415 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 130.4 | 175.1 | -68.1 | -178.7 | -117 | -92.9 | -2.4 | 110.5 | L37 M219 D220 | L37-R212 CarbonylContact O-C 3.55Å; L37-R212 WeakPolarHBondContact O-CA 3.26Å; R212-M219 HydrophobicContact CB-CB 4.43Å; R212-M219 PolarHBondContact O-N 2.87Å; R212-D220 HydrophobicContact CB-CB 4.08Å; R212-D220 HydrophobicContact CG-CB 4.37Å; R212-D220 IonicContact CZ-OD2 2.64Å; R212-D220 PolarHBondContact N-O 2.78Å; R212-D220 IonicContact NE-OD2 3.47Å; R212-D220 PolarHBondContact NE-OD2 3.46Å; R212-D220 IonicContact NH2-OD2 3.27Å; R212-D220 PolarHBondContact NH2-OD2 2.87Å |
| 213 | F | 89.9 | Confident | 89.9 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 121.1 | -171.5 | -153.8 | -96.1 | 0 | 0 | 0 | 111.1 | L21 V24 I36 L37 G38 S42 K44 M47 G216 I218 | L21-F213 HydrophobicContact CD2-CE1 4.2Å; L21-F213 HydrophobicContact CD2-CZ 3.67Å; V24-F213 HydrophobicContact CG1-CE2 4.27Å; V24-F213 HydrophobicContact CG2-CE2 3.81Å; V24-F213 HydrophobicContact CG2-CZ 3.78Å; I36-F213 HydrophobicContact CG2-CB 3.89Å; I36-F213 HydrophobicContact CG2-CG 4.29Å; L37-F213 PolarHBondContact O-N 2.83Å; G38-F213 WeakPolarHBondContact CA-O 3.04Å; S42-F213 WeakPolarHBondContact CB-O 3.35Å; S42-F213 WeakPolarHBondContact O-CD1 3.49Å; S42-F213 WeakPolarHBondContact O-CE1 3.45Å; S42-F213 PolarHBondContact OG-O 2.89Å; K44-F213 HydrophobicContact CG-CB 4.26Å; K44-F213 HydrophobicContact CG-CD1 4.19Å; M47-F213 HydrophobicContact SD-CD2 3.97Å; M47-F213 HydrophobicContact SD-CE2 3.59Å; M47-F213 VanDerWaalsContact SD-CE2 3.59Å; M47-F213 HydrophobicContact SD-CZ 4.17Å; F213-G216 VanDerWaalsContact CZ-C 3.47Å; F213-I218 HydrophobicContact CD2-CG1 3.89Å; F213-I218 HydrophobicContact CE2-CG1 3.89Å |
| 214 | S | 90.8 | Very high | 89.7 | Confident | 43 Ų | 43 | 61.9 Ų | 61.9 | 30% | 0.301 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 138.8 | 176.8 | -160.7 | 0 | 0 | 0 | 0 | 110.1 | G216 R217 | S214-G216 PolarHBondContact O-N 3.08Å; S214-G216 VanDerWaalsContact O-N 3.07Å; S214-R217 PolarHBondContact N-O 3.08Å; S214-R217 PolarHBondContact O-N 3.44Å; S214-R217 VanDerWaalsContact O-O 3.05Å |
| 215 | D | 87.6 | Confident | 89.4 | Confident | 127 Ų | 127 | 59.2 Ų | 59.2 | 68% | 0.679 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 41.2 | 171.3 | -51.1 | -58.9 | 0 | 0 | 0 | 114.6 | R217 | D215-R217 VanDerWaalsContact C-N 3.3Å; D215-R217 PolarHBondContact O-N 3.47Å |
| 216 | G | 87 | Confident | 88.7 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 8.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A20 D22 V24 S42 F213 S214 | A20-G216 VanDerWaalsContact O-CA 3.28Å; A20-G216 WeakPolarHBondContact O-CA 3.31Å; D22-G216 PolarHBondContact N-O 3Å; V24-G216 WeakPolarHBondContact CG2-O 3.31Å; S42-G216 PolarHBondContact O-N 2.89Å; F213-G216 VanDerWaalsContact CZ-C 3.47Å; S214-G216 PolarHBondContact O-N 3.08Å; S214-G216 VanDerWaalsContact O-N 3.07Å |
| 217 | R | 90.4 | Very high | 87.7 | Confident | 132 Ų | 132 | 60.7 Ų | 60.7 | 50% | 0.498 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 151.3 | -178.1 | -62.6 | -178.4 | -176.2 | 177.8 | 0.8 | 112 | D22 S214 D215 M219 | D22-R217 HydrophobicContact CB-CG 4.21Å; D22-R217 IonicContact OD2-CZ 3.31Å; D22-R217 VanDerWaalsContact OD2-CZ 3.31Å; D22-R217 IonicContact OD2-NE 3.86Å; D22-R217 PolarHBondContact OD2-NE 3.47Å; D22-R217 VanDerWaalsContact OD2-NE 3.09Å; D22-R217 IonicContact OD2-NH2 2.71Å; D22-R217 PolarHBondContact OD2-NH2 3.48Å; S214-R217 PolarHBondContact N-O 3.08Å; S214-R217 PolarHBondContact O-N 3.44Å; S214-R217 VanDerWaalsContact O-O 3.05Å; D215-R217 VanDerWaalsContact C-N 3.3Å; D215-R217 PolarHBondContact O-N 3.47Å; R217-M219 HydrophobicContact CB-CE 3.57Å |
| 218 | I | 89.3 | Confident | 86.8 | Confident | 45 Ų | 45 | 62.4 Ų | 62.4 | 23% | 0.231 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 122.4 | 170.4 | -63.6 | 171.9 | 0 | 0 | 0 | 108.1 | V24 V26 I211 F213 | V24-I218 HydrophobicContact CG1-CD1 3.64Å; V24-I218 HydrophobicContact CG1-CG1 4Å; V26-I218 HydrophobicContact CB-CD1 3.72Å; V26-I218 HydrophobicContact CG1-CD1 4.03Å; V26-I218 HydrophobicContact CG2-CD1 4.41Å; I211-I218 HydrophobicContact CG2-CB 4.44Å; I211-I218 HydrophobicContact CG2-CD1 4.21Å; I211-I218 HydrophobicContact CG2-CG1 3.98Å; I211-I218 HydrophobicContact CG2-CG2 3.75Å; F213-I218 HydrophobicContact CD2-CG1 3.89Å; F213-I218 HydrophobicContact CE2-CG1 3.89Å |
| 219 | M | 90 | Very high | 85.2 | Confident | 116 Ų | 116 | 69.1 Ų | 69.1 | 57% | 0.571 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -37.3 | 178.7 | -62.6 | -65.7 | 86.6 | 0 | 0 | 112.3 | R212 R217 | R212-M219 HydrophobicContact CB-CB 4.43Å; R212-M219 PolarHBondContact O-N 2.87Å; R217-M219 HydrophobicContact CB-CE 3.57Å |
| 220 | D | 89.5 | Confident | 83.7 | Confident | 66 Ų | 66 | 74.8 Ų | 74.8 | 35% | 0.353 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 147.8 | -175.4 | -177.6 | 34.9 | 0 | 0 | 0 | 109.8 | I211 R212 | I211-D220 CarbonylContact C-O 3.56Å; I211-D220 WeakPolarHBondContact CA-O 3.36Å; R212-D220 HydrophobicContact CB-CB 4.08Å; R212-D220 HydrophobicContact CG-CB 4.37Å; R212-D220 IonicContact CZ-OD2 2.64Å; R212-D220 PolarHBondContact N-O 2.78Å; R212-D220 IonicContact NE-OD2 3.47Å; R212-D220 PolarHBondContact NE-OD2 3.46Å; R212-D220 IonicContact NH2-OD2 3.27Å; R212-D220 PolarHBondContact NH2-OD2 2.87Å |
| 221 | D | 90.5 | Very high | 82.2 | Confident | 33 Ų | 33 | 77 Ų | 77 | 18% | 0.176 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 113 | 179.3 | -177.9 | -10.7 | 0 | 0 | 0 | 108.3 | R209 H223 P224 | R209-D221 IonicContact CZ-OD1 3.81Å; R209-D221 IonicContact CZ-OD2 3.14Å; R209-D221 IonicContact NE-OD1 2.84Å; R209-D221 PolarHBondContact NE-OD1 2.84Å; R209-D221 IonicContact NE-OD2 2.71Å; R209-D221 PolarHBondContact NE-OD2 2.78Å; R209-D221 IonicContact NH2-OD1 3.2Å; R209-D221 IonicContact NH2-OD2 2.78Å; R209-D221 PolarHBondContact NH2-OD2 3.23Å; D221-H223 VanDerWaalsContact C-N 3.26Å; D221-H223 PolarHBondContact O-N 2.8Å; D221-H223 PolarHBondContact OD1-N 3.17Å; D221-P224 WeakPolarHBondContact O-CD 3.15Å; D221-P224 WeakPolarHBondContact OD2-CA 3.44Å |
| 222 | S | 87.7 | Confident | 80.5 | Confident | 51 Ų | 51 | 84.1 Ų | 84.1 | 36% | 0.357 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -65.7 | -29.3 | -172.3 | 71.6 | 0 | 0 | 0 | 0 | 113.3 | R209 T210 | R209-S222 WeakPolarHBondContact CA-OG 3.39Å; T210-S222 PolarHBondContact N-OG 3.27Å; T210-S222 PolarHBondContact O-N 3.11Å |
| 223 | H | 86.7 | Confident | 79 | Confident | 106 Ų | 106 | 86.5 Ų | 86.5 | 49% | 0.491 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -144.4 | 68.6 | -174.9 | -66.9 | 131.2 | 0 | 0 | 0 | 111.2 | R29 D208 R209 D221 | R29-H223 PolarHBondContact NH1-O 3.21Å; R29-H223 PolarHBondContact NH2-O 2.82Å; D208-H223 PolarHBondContact O-CE1 2.6Å; D208-H223 PolarHBondContact O-ND1 3.35Å; R209-H223 HydrophobicContact CB-CB 4.31Å; R209-H223 VanDerWaalsContact CD-O 3.28Å; R209-H223 WeakPolarHBondContact CD-O 3.46Å; R209-H223 HydrophobicContact CG-CB 4.02Å; R209-H223 PolarHBondContact NE-O 2.72Å; D221-H223 VanDerWaalsContact C-N 3.26Å; D221-H223 PolarHBondContact O-N 2.8Å; D221-H223 PolarHBondContact OD1-N 3.17Å |
| 224 | P | 83 | Confident | 77.9 | Confident | 90 Ų | 90 | 87.5 Ų | 87.5 | 58% | 0.584 | 46% | 0.458 | S | S | * | . | trans | -59.3 | 145.7 | -173.1 | 24.8 | -33.6 | 0 | 0 | 0 | 111.9 | R29 D221 | R29-P224 PolarHBondContact NH2-O 2.87Å; D221-P224 WeakPolarHBondContact O-CD 3.15Å; D221-P224 WeakPolarHBondContact OD2-CA 3.44Å | ||
| 225 | H | 81.8 | Confident | 76.7 | Confident | 52 Ų | 52 | 94.1 Ų | 94.1 | 24% | 0.241 | 48% | 0.484 | C | S | . | . | trans | -126 | 138.4 | 177.8 | -173.7 | 56.5 | 0 | 0 | 0 | 109.5 | A27 R29 E227 | A27-H225 WeakPolarHBondContact CB-O 3.37Å; R29-H225 HydrophobicContact CG-CB 4.16Å; R29-H225 PolarHBondContact NE-ND1 3.03Å; H225-E227 IonicContact NE2-OE1 3.59Å; H225-E227 PolarHBondContact NE2-OE1 2.86Å | ||
| 226 | I | 75.5 | Confident | 75.8 | Confident | 157 Ų | 157 | 89.8 Ų | 89.8 | 81% | 0.805 | 46% | 0.461 | S | S | * | . | trans | -115.6 | 115.3 | 173.4 | -57.2 | 175.3 | 0 | 0 | 0 | 106.4 | ||||
| 227 | E | 70.7 | Confident | 75.1 | Confident | 28 Ų | 28 | 97.6 Ų | 97.6 | 13% | 0.131 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 137.9 | 175.6 | -87.2 | -75.4 | 175.8 | 0 | 0 | 111 | M1 A27 H225 K230 | M1-E227 VanDerWaalsContact N-CD 3.26Å; M1-E227 PolarHBondContact N-OE1 2.62Å; A27-E227 HydrophobicContact CB-CB 4.12Å; A27-E227 HydrophobicContact CB-CG 3.8Å; H225-E227 IonicContact NE2-OE1 3.59Å; H225-E227 PolarHBondContact NE2-OE1 2.86Å; E227-K230 IonicContact OE1-NZ 3.6Å; E227-K230 IonicContact OE2-NZ 3.38Å; E227-K230 PolarHBondContact OE2-NZ 3.27Å |
| 228 | G | 70.6 | Confident | 74.3 | Confident | 53 Ų | 53 | 99.7 Ų | 99.7 | 55% | 0.546 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -86.2 | 163.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | K230 | G228-K230 PolarHBondContact O-N 3.31Š|
| 229 | K | 58.8 | Low | 73.5 | Confident | 226 Ų | 226 | 97.6 Ų | 97.6 | 98% | 0.983 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 117.6 | 173.4 | -70.2 | -176.4 | 179.1 | 178.9 | 0 | 110.1 | ||
| 230 | K | 61.4 | Low | 72.7 | Confident | 121 Ų | 121 | 99.2 Ų | 99.2 | 53% | 0.526 | 50% | 0.496 | S | S | . | . | trans | -113.6 | 153.3 | 174.4 | -74.9 | 171.7 | 177.4 | 153.6 | 0 | 110.3 | E227 G228 | E227-K230 IonicContact OE1-NZ 3.6Å; E227-K230 IonicContact OE2-NZ 3.38Å; E227-K230 PolarHBondContact OE2-NZ 3.27Å; G228-K230 PolarHBondContact O-N 3.31Å | ||
| 231 | G | 59.6 | Low | 72.1 | Confident | 57 Ų | 57 | 96.3 Ų | 96.3 | 59% | 0.588 | 48% | 0.48 | S | S | * | . | trans | -70 | 152.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q233 | G231-Q233 PolarHBondContact O-N 3.39Š| ||
| 232 | E | 57.5 | Low | 71.5 | Confident | 149 Ų | 149 | 102.5 Ų | 102.5 | 70% | 0.696 | 51% | 0.506 | S | S | * | . | trans | -66.2 | 102.8 | 178.5 | -68.5 | -168.4 | 159.3 | 0 | 0 | 110.9 | ||||
| 233 | Q | 60.7 | Low | 71 | Confident | 160 Ų | 160 | 103.9 Ų | 103.9 | 75% | 0.748 | 51% | 0.505 | S | S | * | . | trans | -104.6 | -6.8 | 175.8 | -69.3 | -177.9 | -12.5 | 0 | 0 | 113.1 | G231 Q235 | G231-Q233 PolarHBondContact O-N 3.39Å; Q233-Q235 PolarHBondContact O-N 2.88Å | ||
| 234 | F | 65.9 | Low | 70.6 | Confident | 25 Ų | 25 | 104 Ų | 104 | 11% | 0.11 | 51% | 0.513 | C | S | . | . | trans | -78.2 | 108.4 | -168.1 | -167 | -112.3 | 0 | 0 | 0 | 113.2 | I64 D65 K67 F72 Y80 L236 | I64-F234 HydrophobicContact CG2-CD2 4.19Å; I64-F234 HydrophobicContact CG2-CE2 3.93Å; I64-F234 HydrophobicContact CG2-CZ 4.17Å; D65-F234 HydrophobicContact CB-CB 4.24Å; D65-F234 HydrophobicContact CB-CD2 4.18Å; K67-F234 HydrophobicContact CB-CB 4.17Å; K67-F234 HydrophobicContact CD-CB 4.33Å; K67-F234 HydrophobicContact CD-CD1 4.13Å; F72-F234 HydrophobicContact CE2-CE1 4.43Å; F72-F234 HydrophobicContact CZ-CD1 4.26Å; F72-F234 AromaticContact CZ-CE1 3.97Å; F72-F234 HydrophobicContact CZ-CE1 3.97Å; Y80-F234 HydrophobicContact CD2-CZ 4.13Å; F234-L236 HydrophobicContact CD1-CD1 4.44Å; F234-L236 HydrophobicContact CD1-CD2 4.37Å; F234-L236 HydrophobicContact CD1-CG 3.96Å; F234-L236 HydrophobicContact CE1-CD1 4.01Å; F234-L236 HydrophobicContact CE1-CD2 3.36Å; F234-L236 HydrophobicContact CE1-CG 3.42Å; F234-L236 VanDerWaalsContact CE1-CG 3.42Å; F234-L236 HydrophobicContact CZ-CD2 3.71Å; F234-L236 HydrophobicContact CZ-CG 4.18Å | ||
| 235 | Q | 65.6 | Low | 70.5 | Confident | 181 Ų | 181 | 101.7 Ų | 101.7 | 85% | 0.846 | 50% | 0.498 | S | S | * | . | trans | -103.8 | 110.7 | 174.6 | -65 | -168.4 | 5.1 | 0 | 0 | 111.7 | Q233 K237 | Q233-Q235 PolarHBondContact O-N 2.88Å; Q235-K237 PolarHBondContact O-N 3.19Å | ||
| 236 | L | 70.3 | Confident | 70.5 | Confident | 36 Ų | 36 | 99.2 Ų | 99.2 | 19% | 0.188 | 49% | 0.486 | C | S | . | . | trans | -78.8 | 115.5 | 176.5 | -76.2 | 161.4 | 0 | 0 | 0 | 111.4 | F72 D76 A79 F234 R238 | F72-L236 HydrophobicContact CE2-CD1 4.38Å; F72-L236 HydrophobicContact CZ-CD1 4.23Å; D76-L236 HydrophobicContact CB-CD1 3.72Å; A79-L236 HydrophobicContact CB-CB 4.34Å; A79-L236 HydrophobicContact CB-CD2 3.84Å; F234-L236 HydrophobicContact CD1-CD1 4.44Å; F234-L236 HydrophobicContact CD1-CD2 4.37Å; F234-L236 HydrophobicContact CD1-CG 3.96Å; F234-L236 HydrophobicContact CE1-CD1 4.01Å; F234-L236 HydrophobicContact CE1-CD2 3.36Å; F234-L236 HydrophobicContact CE1-CG 3.42Å; F234-L236 VanDerWaalsContact CE1-CG 3.42Å; F234-L236 HydrophobicContact CZ-CD2 3.71Å; F234-L236 HydrophobicContact CZ-CG 4.18Å; L236-R238 PolarHBondContact O-N 3.03Å | ||
| 237 | K | 71.7 | Confident | 70.9 | Confident | 165 Ų | 165 | 94 Ų | 94 | 72% | 0.717 | 46% | 0.46 | S | S | * | . | trans | -76.3 | 107.9 | 166.2 | -71 | -178.8 | -176.9 | 173.8 | 0 | 109.4 | N83 Q235 T239 | N83-K237 PolarHBondContact ND2-O 3.39Å; Q235-K237 PolarHBondContact O-N 3.19Å; K237-T239 PolarHBondContact O-N 2.71Å | ||
| 238 | R | 73.7 | Confident | 71.5 | Confident | 176 Ų | 176 | 98.5 Ų | 98.5 | 66% | 0.664 | 48% | 0.479 | S | S | * | . | trans | -65.7 | 126.7 | 179.7 | -70.4 | -173.7 | 173 | 176.9 | 0.6 | 111.2 | L236 | L236-R238 PolarHBondContact O-N 3.03Š| ||
| 239 | T | 72.7 | Confident | 71.9 | Confident | 2 Ų | 2 | 97.2 Ų | 97.2 | 1% | 0.012 | 46% | 0.459 | C | S | . | . | trans | -62.3 | 141.3 | 173 | 54.8 | 0 | 0 | 0 | 0 | 110.6 | N82 K237 R693 | N82-T239 HydrophobicContact CB-CG2 3.56Å; K237-T239 PolarHBondContact O-N 2.71Å; T239-R693 PolarHBondContact O-NH1 2.76Å; T239-R693 PolarHBondContact O-NH2 3.45Å; T239-R693 WeakPolarHBondContact OG1-CD 3.45Å; T239-R693 WeakPolarHBondContact OG1-CG 3.45Å | ||
| 240 | K | 72.1 | Confident | 73.1 | Confident | 149 Ų | 149 | 86.4 Ų | 86.4 | 65% | 0.648 | 41% | 0.412 | S | S | * | . | trans | -143.6 | 90.1 | 176.6 | -71.3 | -174.2 | -176.3 | 175.8 | 0 | 110.4 | ||||
| 241 | M | 77.3 | Confident | 74.2 | Confident | 6 Ų | 6 | 86.2 Ų | 86.2 | 3% | 0.03 | 41% | 0.411 | C | S | . | . | trans | -73.8 | 130.2 | 167 | -167.1 | -166.9 | -72 | 0 | 0 | 110.9 | L110 T245 A246 L249 D696 R699 V700 | L110-M241 HydrophobicContact CD2-CE 3.28Å; M241-T245 HydrophobicContact CG-CG2 3.99Å; M241-T245 HydrophobicContact SD-CG2 4.36Å; M241-A246 HydrophobicContact SD-CB 3.97Å; M241-L249 HydrophobicContact CE-CD1 3.79Å; M241-L249 HydrophobicContact SD-CD1 4.22Å; M241-D696 HydrophobicContact CB-CB 4.36Å; M241-D696 HydrophobicContact CE-CB 4.29Å; M241-R699 PolarHBondContact O-NH1 3.08Å; M241-V700 HydrophobicContact SD-CG2 4.36Å | ||
| 242 | K | 78.7 | Confident | 75.1 | Confident | 163 Ų | 163 | 85.1 Ų | 85.1 | 71% | 0.709 | 39% | 0.392 | S | S | * | . | trans | -78.1 | 150.1 | 169.8 | -66.8 | -177.4 | 180 | 178.7 | 0 | 110.6 | V244 T245 A246 | K242-V244 VanDerWaalsContact C-N 3.25Å; K242-V244 PolarHBondContact O-N 2.75Å; K242-T245 WeakPolarHBondContact O-CB 3.3Å; K242-T245 PolarHBondContact O-N 2.88Å; K242-A246 PolarHBondContact O-N 3.38Å | ||
| 243 | F | 76.7 | Confident | 75.9 | Confident | 80 Ų | 80 | 78.7 Ų | 78.7 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.2 | -32.8 | 178.5 | -173.3 | -105.4 | 0 | 0 | 0 | 112.8 | T245 A246 L247 A703 | F243-T245 VanDerWaalsContact C-N 3.28Å; F243-T245 PolarHBondContact O-N 3.27Å; F243-A246 CarbonylContact O-C 3.56Å; F243-A246 WeakPolarHBondContact O-CA 3.39Å; F243-A246 WeakPolarHBondContact O-CB 3.3Å; F243-A246 PolarHBondContact O-N 2.77Å; F243-A246 VanDerWaalsContact O-N 3.11Å; F243-L247 HydrophobicContact CD1-CD1 3.71Å; F243-L247 HydrophobicContact CD1-CG 4.04Å; F243-L247 HydrophobicContact CE1-CD1 3.61Å; F243-L247 HydrophobicContact CE1-CD2 4.07Å; F243-L247 HydrophobicContact CE1-CG 3.76Å; F243-L247 HydrophobicContact CZ-CD2 4.35Å; F243-L247 HydrophobicContact CZ-CG 4.3Å; F243-L247 PolarHBondContact O-N 3.23Å; F243-A703 HydrophobicContact CE2-CB 4.07Å; F243-A703 HydrophobicContact CZ-CB 4.13Å |
| 244 | V | 78.3 | Confident | 76.9 | Confident | 109 Ų | 109 | 71.5 Ų | 71.5 | 66% | 0.661 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.3 | -36.5 | 174.3 | -178.5 | 0 | 0 | 0 | 0 | 112 | K242 L247 K248 | K242-V244 VanDerWaalsContact C-N 3.25Å; K242-V244 PolarHBondContact O-N 2.75Å; V244-L247 WeakPolarHBondContact O-CB 3.43Å; V244-L247 PolarHBondContact O-N 2.94Å; V244-K248 PolarHBondContact O-N 3.23Å |
| 245 | T | 80.8 | Confident | 77.6 | Confident | 41 Ų | 41 | 77.5 Ų | 77.5 | 25% | 0.252 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 174.4 | -51.1 | 0 | 0 | 0 | 0 | 110.9 | T109 M241 K242 F243 L247 K248 L249 | T109-T245 HydrophobicContact CG2-CG2 3.31Å; M241-T245 HydrophobicContact CG-CG2 3.99Å; M241-T245 HydrophobicContact SD-CG2 4.36Å; K242-T245 WeakPolarHBondContact O-CB 3.3Å; K242-T245 PolarHBondContact O-N 2.88Å; F243-T245 VanDerWaalsContact C-N 3.28Å; F243-T245 PolarHBondContact O-N 3.27Å; T245-L247 VanDerWaalsContact C-N 3.34Å; T245-L247 PolarHBondContact O-N 3.07Å; T245-K248 PolarHBondContact O-N 3.44Å; T245-L249 HydrophobicContact CG2-CD1 4.39Å; T245-L249 WeakPolarHBondContact O-CG 3.41Å; T245-L249 PolarHBondContact O-N 3.06Å |
| 246 | A | 83 | Confident | 78.1 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | M241 K242 F243 K248 L249 S250 R699 V700 A703 | M241-A246 HydrophobicContact SD-CB 3.97Å; K242-A246 PolarHBondContact O-N 3.38Å; F243-A246 CarbonylContact O-C 3.56Å; F243-A246 WeakPolarHBondContact O-CA 3.39Å; F243-A246 WeakPolarHBondContact O-CB 3.3Å; F243-A246 PolarHBondContact O-N 2.77Å; F243-A246 VanDerWaalsContact O-N 3.11Å; A246-K248 PolarHBondContact O-N 3.43Å; A246-L249 PolarHBondContact O-N 3Å; A246-S250 WeakPolarHBondContact O-CB 3.14Å; A246-S250 PolarHBondContact O-N 2.89Å; A246-S250 PolarHBondContact O-OG 2.98Å; A246-R699 HydrophobicContact CB-CB 4.12Å; A246-V700 HydrophobicContact CB-CG2 4.19Å; A246-A703 HydrophobicContact CB-CB 4.13Å |
| 247 | L | 83.4 | Confident | 78.5 | Confident | 48 Ų | 48 | 74.1 Ų | 74.1 | 25% | 0.251 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.5 | -45.2 | 173.7 | -75.5 | 167.1 | 0 | 0 | 0 | 112.6 | F243 V244 T245 S250 F251 A703 I707 | F243-L247 HydrophobicContact CD1-CD1 3.71Å; F243-L247 HydrophobicContact CD1-CG 4.04Å; F243-L247 HydrophobicContact CE1-CD1 3.61Å; F243-L247 HydrophobicContact CE1-CD2 4.07Å; F243-L247 HydrophobicContact CE1-CG 3.76Å; F243-L247 HydrophobicContact CZ-CD2 4.35Å; F243-L247 HydrophobicContact CZ-CG 4.3Å; F243-L247 PolarHBondContact O-N 3.23Å; V244-L247 WeakPolarHBondContact O-CB 3.43Å; V244-L247 PolarHBondContact O-N 2.94Å; T245-L247 VanDerWaalsContact C-N 3.34Å; T245-L247 PolarHBondContact O-N 3.07Å; L247-S250 PolarHBondContact O-N 2.7Å; L247-F251 WeakPolarHBondContact O-CB 3.37Å; L247-F251 PolarHBondContact O-N 3.41Å; L247-A703 HydrophobicContact CD2-CB 3.83Å; L247-A703 HydrophobicContact CG-CB 4.07Å; L247-I707 HydrophobicContact CD2-CD1 3.98Å; L247-I707 HydrophobicContact CD2-CG1 3.86Å |
| 248 | K | 82.3 | Confident | 78.9 | Confident | 121 Ų | 121 | 73.7 Ų | 73.7 | 53% | 0.526 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 178.1 | -173.6 | -175.8 | 177.6 | -170.2 | 0 | 111.8 | V244 T245 A246 F251 N252 | V244-K248 PolarHBondContact O-N 3.23Å; T245-K248 PolarHBondContact O-N 3.44Å; A246-K248 PolarHBondContact O-N 3.43Å; K248-F251 PolarHBondContact O-N 2.74Å; K248-N252 PolarHBondContact O-N 3.21Å |
| 249 | L | 79.1 | Confident | 79.2 | Confident | 26 Ų | 26 | 67.7 Ų | 67.7 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.6 | -51.3 | 176.2 | -72 | 170.9 | 0 | 0 | 0 | 109.8 | L106 M241 T245 A246 F251 N252 N253 V700 | L106-L249 HydrophobicContact CD1-CD2 4.41Å; M241-L249 HydrophobicContact CE-CD1 3.79Å; M241-L249 HydrophobicContact SD-CD1 4.22Å; T245-L249 HydrophobicContact CG2-CD1 4.39Å; T245-L249 WeakPolarHBondContact O-CG 3.41Å; T245-L249 PolarHBondContact O-N 3.06Å; A246-L249 PolarHBondContact O-N 3Å; L249-F251 VanDerWaalsContact C-N 3.34Å; L249-F251 PolarHBondContact O-N 2.87Å; L249-N252 PolarHBondContact O-N 3.39Å; L249-N253 PolarHBondContact O-N 3.39Å; L249-N253 PolarHBondContact O-ND2 3Å; L249-N253 PolarHBondContact O-OD1 3.46Å; L249-V700 HydrophobicContact CD1-CG2 4.37Å |
| 250 | S | 83.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.1 | -38.3 | 179.5 | -56.9 | 0 | 0 | 0 | 0 | 112.9 | A246 L247 N253 L254 V700 | A246-S250 WeakPolarHBondContact O-CB 3.14Å; A246-S250 PolarHBondContact O-N 2.89Å; A246-S250 PolarHBondContact O-OG 2.98Å; L247-S250 PolarHBondContact O-N 2.7Å; S250-N253 WeakPolarHBondContact O-CB 3.43Å; S250-N253 PolarHBondContact O-N 3.46Å; S250-L254 WeakPolarHBondContact O-CG 3.49Å; S250-L254 PolarHBondContact O-N 3.35Å; S250-V700 WeakPolarHBondContact OG-CG1 3.39Å; S250-V700 PolarHBondContact OG-O 3.41Å |
| 251 | F | 85.3 | Confident | 80.1 | Confident | 116 Ų | 116 | 64.5 Ų | 64.5 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.6 | -47.7 | 176.4 | -176.7 | -95.5 | 0 | 0 | 0 | 112.2 | L247 K248 L249 N253 L254 R255 I707 | L247-F251 WeakPolarHBondContact O-CB 3.37Å; L247-F251 PolarHBondContact O-N 3.41Å; K248-F251 PolarHBondContact O-N 2.74Å; L249-F251 VanDerWaalsContact C-N 3.34Å; L249-F251 PolarHBondContact O-N 2.87Å; F251-N253 PolarHBondContact O-N 3.03Å; F251-L254 PolarHBondContact O-N 3.42Å; F251-R255 WeakPolarHBondContact O-CB 3.36Å; F251-R255 PolarHBondContact O-N 3.13Å; F251-I707 HydrophobicContact CB-CD1 4.02Å |
| 252 | N | 79.4 | Confident | 80.4 | Confident | 35 Ų | 35 | 70.3 Ų | 70.3 | 19% | 0.187 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59 | -35.6 | 175.6 | -81.1 | -8.1 | 0 | 0 | 0 | 111.4 | K248 L249 T256 | K248-N252 PolarHBondContact O-N 3.21Å; L249-N252 PolarHBondContact O-N 3.39Å; N252-T256 WeakPolarHBondContact O-CG2 3.39Å |
| 253 | N | 74.2 | Confident | 80.6 | Confident | 14 Ų | 14 | 68 Ų | 68 | 8% | 0.075 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.6 | -46.4 | 176.2 | -58.1 | -23.9 | 0 | 0 | 0 | 112 | H97 L249 S250 F251 R255 T256 R680 | H97-N253 PolarHBondContact NE2-OD1 3.44Å; L249-N253 PolarHBondContact O-N 3.39Å; L249-N253 PolarHBondContact O-ND2 3Å; L249-N253 PolarHBondContact O-OD1 3.46Å; S250-N253 WeakPolarHBondContact O-CB 3.43Å; S250-N253 PolarHBondContact O-N 3.46Å; F251-N253 PolarHBondContact O-N 3.03Å; N253-R255 PolarHBondContact O-N 2.93Å; N253-T256 PolarHBondContact O-N 3.5Å; N253-T256 PolarHBondContact O-OG1 3.11Å; N253-R680 PolarHBondContact ND2-NH1 2.76Å; N253-R680 PolarHBondContact ND2-NH2 3.37Å |
| 254 | L | 81 | Confident | 80.9 | Confident | 9 Ų | 9 | 64.6 Ų | 64.6 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.1 | -33.6 | 177.9 | -74.9 | 172 | 0 | 0 | 0 | 112 | S250 F251 T256 K257 T261 E704 I707 L708 | S250-L254 WeakPolarHBondContact O-CG 3.49Å; S250-L254 PolarHBondContact O-N 3.35Å; F251-L254 PolarHBondContact O-N 3.42Å; L254-T256 VanDerWaalsContact C-N 3.33Å; L254-T256 PolarHBondContact O-N 2.85Å; L254-K257 CarbonylContact O-C 3.49Å; L254-K257 PolarHBondContact O-N 3.3Å; L254-T261 HydrophobicContact CB-CG2 4.3Å; L254-T261 HydrophobicContact CD2-CG2 3.95Å; L254-T261 PolarHBondContact O-OG1 2.86Å; L254-T261 VanDerWaalsContact O-OG1 3.09Å; L254-E704 HydrophobicContact CD1-CG 4.06Å; L254-E704 HydrophobicContact CD2-CG 3.64Å; L254-E704 HydrophobicContact CG-CG 3.85Å; L254-I707 HydrophobicContact CD1-CB 3.71Å; L254-I707 HydrophobicContact CD1-CD1 4.15Å; L254-I707 HydrophobicContact CD1-CG2 3.49Å; L254-I707 VanDerWaalsContact CD1-CG2 3.49Å; L254-L708 HydrophobicContact CD1-CG 4.43Å; L254-L708 HydrophobicContact CD2-CD1 4.4Å; L254-L708 HydrophobicContact CD2-CD2 4.02Å; L254-L708 HydrophobicContact CD2-CG 4.14Å |
| 255 | R | 81.3 | Confident | 81.2 | Confident | 151 Ų | 151 | 59.8 Ų | 59.8 | 57% | 0.57 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -66.7 | -29 | 178.6 | -170.7 | 178.1 | 70.1 | 166.1 | -0.1 | 113.6 | F251 N253 K258 | F251-R255 WeakPolarHBondContact O-CB 3.36Å; F251-R255 PolarHBondContact O-N 3.13Å; N253-R255 PolarHBondContact O-N 2.93Å; R255-K258 WeakPolarHBondContact O-CG 3.35Å |
| 256 | T | 75.4 | Confident | 81.5 | Confident | 71 Ų | 71 | 62.2 Ų | 62.2 | 44% | 0.436 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -77.4 | -29.3 | -179.1 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | H97 N252 N253 L254 | H97-T256 HydrophobicContact CB-CG2 3.83Å; N252-T256 WeakPolarHBondContact O-CG2 3.39Å; N253-T256 PolarHBondContact O-N 3.5Å; N253-T256 PolarHBondContact O-OG1 3.11Å; L254-T256 VanDerWaalsContact C-N 3.33Å; L254-T256 PolarHBondContact O-N 2.85Å |
| 257 | K | 78.8 | Confident | 81.4 | Confident | 74 Ų | 74 | 63.2 Ų | 63.2 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 53.9 | 179.3 | -65.5 | -173.7 | 173.8 | -178.2 | 0 | 112.5 | L254 G259 R260 T261 E679 | L254-K257 CarbonylContact O-C 3.49Å; L254-K257 PolarHBondContact O-N 3.3Å; K257-G259 PolarHBondContact O-N 3.1Å; K257-R260 HydrophobicContact CB-CB 4.46Å; K257-R260 VanDerWaalsContact CD-CZ 3.43Å; K257-R260 PolarHBondContact O-N 3.4Å; K257-T261 WeakPolarHBondContact O-CB 3.36Å; K257-T261 PolarHBondContact O-N 2.78Å; K257-T261 PolarHBondContact O-OG1 2.79Å; K257-E679 IonicContact NZ-OE2 3.95Å; K257-E679 PolarHBondContact NZ-OE2 2.85Å |
| 258 | K | 80.6 | Confident | 81.3 | Confident | 156 Ų | 156 | 61.2 Ų | 61.2 | 68% | 0.678 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -51.4 | -48.9 | -173.9 | -60.1 | -174.6 | -178.3 | 177.7 | 0 | 114.1 | R255 T261 F262 | R255-K258 WeakPolarHBondContact O-CG 3.35Å; K258-T261 PolarHBondContact O-N 2.99Å; K258-F262 VanDerWaalsContact O-CB 3.32Å; K258-F262 WeakPolarHBondContact O-CB 3.29Å; K258-F262 PolarHBondContact O-N 2.79Å |
| 259 | G | 79.4 | Confident | 81.7 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 52% | 0.515 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.7 | -48.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K257 F262 L263 | K257-G259 PolarHBondContact O-N 3.1Å; G259-F262 PolarHBondContact O-N 2.9Å; G259-L263 WeakPolarHBondContact O-CG 3.44Å; G259-L263 PolarHBondContact O-N 3.04Å |
| 260 | R | 80.8 | Confident | 82.1 | Confident | 58 Ų | 58 | 58.2 Ų | 58.2 | 22% | 0.219 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62 | -47.5 | 176.3 | -174.6 | -170.8 | 72.5 | 167 | 13.5 | 111.6 | K257 F262 L263 T264 S676 E679 E704 | K257-R260 HydrophobicContact CB-CB 4.46Å; K257-R260 VanDerWaalsContact CD-CZ 3.43Å; K257-R260 PolarHBondContact O-N 3.4Å; R260-F262 VanDerWaalsContact C-N 3.28Å; R260-F262 PolarHBondContact O-N 3.4Å; R260-L263 PolarHBondContact O-N 3.42Å; R260-T264 WeakPolarHBondContact O-CB 3.41Å; R260-T264 PolarHBondContact O-N 3.23Å; R260-T264 PolarHBondContact O-OG1 3.16Å; R260-S676 PolarHBondContact NH1-OG 3.14Å; R260-S676 PolarHBondContact NH2-OG 2.79Å; R260-S676 VanDerWaalsContact NH2-OG 3.13Å; R260-E679 IonicContact NH1-OE2 3.85Å; R260-E679 PolarHBondContact NH1-OE2 2.72Å; R260-E704 IonicContact NH2-OE1 3.31Å |
| 261 | T | 82.1 | Confident | 82.3 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 16% | 0.16 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.9 | -44 | 178.8 | -61.7 | 0 | 0 | 0 | 0 | 110.8 | L254 K257 K258 T264 A265 L708 | L254-T261 HydrophobicContact CB-CG2 4.3Å; L254-T261 HydrophobicContact CD2-CG2 3.95Å; L254-T261 PolarHBondContact O-OG1 2.86Å; L254-T261 VanDerWaalsContact O-OG1 3.09Å; K257-T261 WeakPolarHBondContact O-CB 3.36Å; K257-T261 PolarHBondContact O-N 2.78Å; K257-T261 PolarHBondContact O-OG1 2.79Å; K258-T261 PolarHBondContact O-N 2.99Å; T261-T264 PolarHBondContact O-N 3.44Å; T261-A265 WeakPolarHBondContact O-CB 3.38Å; T261-A265 PolarHBondContact O-N 3.42Å; T261-L708 HydrophobicContact CG2-CD2 3.86Å |
| 262 | F | 84.9 | Confident | 82.5 | Confident | 128 Ų | 128 | 53 Ų | 53 | 56% | 0.561 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -63.3 | -50 | 176.5 | -179.9 | -98 | 0 | 0 | 0 | 112.3 | K258 G259 R260 T264 A265 F266 | K258-F262 VanDerWaalsContact O-CB 3.32Å; K258-F262 WeakPolarHBondContact O-CB 3.29Å; K258-F262 PolarHBondContact O-N 2.79Å; G259-F262 PolarHBondContact O-N 2.9Å; R260-F262 VanDerWaalsContact C-N 3.28Å; R260-F262 PolarHBondContact O-N 3.4Å; F262-T264 VanDerWaalsContact C-N 3.28Å; F262-T264 PolarHBondContact O-N 3.48Å; F262-A265 PolarHBondContact O-N 3.4Å; F262-F266 VanDerWaalsContact O-CB 3.29Å; F262-F266 WeakPolarHBondContact O-CB 3.36Å; F262-F266 PolarHBondContact O-N 3.27Å |
| 263 | L | 83.1 | Confident | 83.2 | Confident | 116 Ų | 116 | 52.6 Ų | 52.6 | 61% | 0.607 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -59.2 | -39.9 | 177.4 | -72.3 | 169.9 | 0 | 0 | 0 | 112.1 | G259 R260 F266 A267 | G259-L263 WeakPolarHBondContact O-CG 3.44Å; G259-L263 PolarHBondContact O-N 3.04Å; R260-L263 PolarHBondContact O-N 3.42Å; L263-F266 PolarHBondContact O-N 3.19Å; L263-A267 VanDerWaalsContact O-CB 3.31Å; L263-A267 WeakPolarHBondContact O-CB 3.45Å; L263-A267 PolarHBondContact O-N 3.45Å |
| 264 | T | 82 | Confident | 83.9 | Confident | 8 Ų | 8 | 54 Ų | 54 | 5% | 0.049 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.8 | -48.6 | 177.3 | -52.1 | 0 | 0 | 0 | 0 | 111.2 | R260 T261 F262 F266 A267 S268 I672 L708 | R260-T264 WeakPolarHBondContact O-CB 3.41Å; R260-T264 PolarHBondContact O-N 3.23Å; R260-T264 PolarHBondContact O-OG1 3.16Å; T261-T264 PolarHBondContact O-N 3.44Å; F262-T264 VanDerWaalsContact C-N 3.28Å; F262-T264 PolarHBondContact O-N 3.48Å; T264-F266 VanDerWaalsContact C-N 3.32Å; T264-F266 PolarHBondContact O-N 2.78Å; T264-A267 PolarHBondContact O-N 3.24Å; T264-S268 WeakPolarHBondContact O-CB 3.13Å; T264-S268 PolarHBondContact O-N 2.79Å; T264-S268 PolarHBondContact O-OG 3.38Å; T264-I672 HydrophobicContact CG2-CB 4.42Å; T264-I672 HydrophobicContact CG2-CD1 3.86Å; T264-I672 HydrophobicContact CG2-CG2 3.79Å; T264-L708 HydrophobicContact CG2-CD1 4.23Å; T264-L708 HydrophobicContact CG2-CD2 4.38Å |
| 265 | A | 84.8 | Confident | 84.4 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 7% | 0.066 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T261 F262 S269 A711 S712 | T261-A265 WeakPolarHBondContact O-CB 3.38Å; T261-A265 PolarHBondContact O-N 3.42Å; F262-A265 PolarHBondContact O-N 3.4Å; A265-S269 WeakPolarHBondContact O-CB 3.1Å; A265-S269 PolarHBondContact O-N 3.48Å; A265-A711 HydrophobicContact CB-CB 4.48Å; A265-S712 VanDerWaalsContact O-CB 3.29Å; A265-S712 WeakPolarHBondContact O-CB 3.41Å |
| 266 | F | 87.1 | Confident | 85 | Confident | 92 Ų | 92 | 47.3 Ų | 47.3 | 40% | 0.404 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.3 | -51.2 | 176.9 | -175.1 | -98.1 | 0 | 0 | 0 | 111.7 | F262 L263 T264 S268 S269 I270 L715 I719 | F262-F266 VanDerWaalsContact O-CB 3.29Å; F262-F266 WeakPolarHBondContact O-CB 3.36Å; F262-F266 PolarHBondContact O-N 3.27Å; L263-F266 PolarHBondContact O-N 3.19Å; T264-F266 VanDerWaalsContact C-N 3.32Å; T264-F266 PolarHBondContact O-N 2.78Å; F266-S268 VanDerWaalsContact C-N 3.29Å; F266-S268 PolarHBondContact O-N 3.34Å; F266-S269 WeakPolarHBondContact O-CA 3.36Å; F266-S269 WeakPolarHBondContact O-CB 3.35Å; F266-S269 PolarHBondContact O-N 2.89Å; F266-S269 PolarHBondContact O-OG 3.38Å; F266-I270 PolarHBondContact O-N 3.36Å; F266-L715 HydrophobicContact CB-CD2 4.49Å; F266-L715 HydrophobicContact CD2-CD2 4.31Å; F266-I719 HydrophobicContact CE2-CD1 4.28Å |
| 267 | A | 81.6 | Confident | 85.8 | Confident | 20 Ų | 20 | 45.9 Ų | 45.9 | 17% | 0.165 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.2 | -38.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | L263 T264 S269 I270 M668 | L263-A267 VanDerWaalsContact O-CB 3.31Å; L263-A267 WeakPolarHBondContact O-CB 3.45Å; L263-A267 PolarHBondContact O-N 3.45Å; T264-A267 PolarHBondContact O-N 3.24Å; A267-S269 VanDerWaalsContact C-N 3.26Å; A267-S269 PolarHBondContact O-N 2.95Å; A267-I270 WeakPolarHBondContact O-CB 3.31Å; A267-I270 PolarHBondContact O-N 3.28Å; A267-M668 HydrophobicContact CB-SD 3.39Å; A267-M668 WeakPolarHBondContact CB-SD 3.35Å |
| 268 | S | 81 | Confident | 86.4 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.8 | -27.2 | 173.5 | -51.8 | 0 | 0 | 0 | 0 | 112.9 | T264 F266 I270 I669 | T264-S268 WeakPolarHBondContact O-CB 3.13Å; T264-S268 PolarHBondContact O-N 2.79Å; T264-S268 PolarHBondContact O-OG 3.38Å; F266-S268 VanDerWaalsContact C-N 3.29Å; F266-S268 PolarHBondContact O-N 3.34Å; S268-I270 VanDerWaalsContact C-N 3.3Å; S268-I270 PolarHBondContact O-N 2.88Å; S268-I669 WeakPolarHBondContact OG-CG1 3.46Å |
| 269 | S | 90.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -73.4 | -21 | 179.6 | 76.1 | 0 | 0 | 0 | 0 | 112.8 | A265 F266 A267 G271 I272 I273 S712 | A265-S269 WeakPolarHBondContact O-CB 3.1Å; A265-S269 PolarHBondContact O-N 3.48Å; F266-S269 WeakPolarHBondContact O-CA 3.36Å; F266-S269 WeakPolarHBondContact O-CB 3.35Å; F266-S269 PolarHBondContact O-N 2.89Å; F266-S269 PolarHBondContact O-OG 3.38Å; A267-S269 VanDerWaalsContact C-N 3.26Å; A267-S269 PolarHBondContact O-N 2.95Å; S269-G271 VanDerWaalsContact C-N 3.33Å; S269-G271 PolarHBondContact O-N 3.49Å; S269-I272 CarbonylContact O-C 3.52Å; S269-I272 WeakPolarHBondContact O-CA 3.5Å; S269-I272 PolarHBondContact O-N 2.62Å; S269-I273 VanDerWaalsContact O-CG1 3.22Å; S269-I273 WeakPolarHBondContact O-CG1 3.27Å; S269-I273 PolarHBondContact O-N 2.99Å; S269-S712 WeakPolarHBondContact CB-O 3.28Å |
| 270 | I | 87.9 | Confident | 87.5 | Confident | 85 Ų | 85 | 34.8 Ų | 34.8 | 44% | 0.436 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -56.7 | -44.1 | -177.7 | -63.2 | 173.1 | 0 | 0 | 0 | 111.9 | F266 A267 S268 I272 I273 S274 | F266-I270 PolarHBondContact O-N 3.36Å; A267-I270 WeakPolarHBondContact O-CB 3.31Å; A267-I270 PolarHBondContact O-N 3.28Å; S268-I270 VanDerWaalsContact C-N 3.3Å; S268-I270 PolarHBondContact O-N 2.88Å; I270-I272 VanDerWaalsContact C-N 3.34Å; I270-I272 PolarHBondContact O-N 3.32Å; I270-I273 PolarHBondContact O-N 2.94Å; I270-S274 PolarHBondContact O-N 2.83Å; I270-S274 PolarHBondContact O-OG 3.33Å |
| 271 | G | 87 | Confident | 88 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.4 | -38.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S269 S274 I275 S661 | S269-G271 VanDerWaalsContact C-N 3.33Å; S269-G271 PolarHBondContact O-N 3.49Å; G271-S274 PolarHBondContact O-N 2.87Å; G271-I275 WeakPolarHBondContact O-CG1 3.48Å; G271-I275 PolarHBondContact O-N 2.78Å; G271-I275 VanDerWaalsContact O-N 3.1Å; G271-S661 WeakPolarHBondContact CA-OG 3.5Å |
| 272 | I | 90.8 | Very high | 88.4 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.1 | -38.3 | 178.9 | -56.1 | -56.8 | 0 | 0 | 0 | 111.7 | S269 I270 S274 I275 G276 L662 V717 L751 | S269-I272 CarbonylContact O-C 3.52Å; S269-I272 WeakPolarHBondContact O-CA 3.5Å; S269-I272 PolarHBondContact O-N 2.62Å; I270-I272 VanDerWaalsContact C-N 3.34Å; I270-I272 PolarHBondContact O-N 3.32Å; I272-S274 VanDerWaalsContact C-N 3.33Å; I272-I275 PolarHBondContact O-N 2.79Å; I272-G276 PolarHBondContact O-N 3.11Å; I272-L662 HydrophobicContact CD1-CD1 4.46Å; I272-V717 HydrophobicContact CG2-CG2 4.34Å; I272-L751 HydrophobicContact CG2-CB 4.09Å |
| 273 | I | 92.5 | Very high | 88.6 | Confident | 26 Ų | 26 | 29.3 Ų | 29.3 | 13% | 0.133 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.2 | -48 | 173.6 | -67.4 | 161.3 | 0 | 0 | 0 | 109.5 | S269 I270 G276 I277 I719 | S269-I273 VanDerWaalsContact O-CG1 3.22Å; S269-I273 WeakPolarHBondContact O-CG1 3.27Å; S269-I273 PolarHBondContact O-N 2.99Å; I270-I273 PolarHBondContact O-N 2.94Å; I273-G276 PolarHBondContact O-N 2.91Å; I273-I277 HydrophobicContact CG2-CD1 3.75Å; I273-I277 HydrophobicContact CG2-CG1 4.42Å; I273-I277 WeakPolarHBondContact O-CG1 3.35Å; I273-I277 PolarHBondContact O-N 3.39Å; I273-I719 HydrophobicContact CD1-CB 3.98Å; I273-I719 HydrophobicContact CD1-CD1 3.9Å; I273-I719 HydrophobicContact CD1-CG2 3.69Å; I273-I719 HydrophobicContact CG1-CB 3.97Å; I273-I719 HydrophobicContact CG1-CG2 3.91Å; I273-I719 HydrophobicContact CG2-CG2 4.2Å |
| 274 | S | 90.3 | Very high | 88.9 | Confident | 43 Ų | 43 | 23.8 Ų | 23.8 | 30% | 0.301 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -59.3 | -50.1 | -179.5 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | I270 G271 I272 G276 I277 V278 | I270-S274 PolarHBondContact O-N 2.83Å; I270-S274 PolarHBondContact O-OG 3.33Å; G271-S274 PolarHBondContact O-N 2.87Å; I272-S274 VanDerWaalsContact C-N 3.33Å; S274-G276 PolarHBondContact O-N 3.49Å; S274-I277 PolarHBondContact O-N 3.18Å; S274-V278 WeakPolarHBondContact O-CG2 3.24Å; S274-V278 PolarHBondContact O-N 3.37Å; S274-V278 VanDerWaalsContact O-N 3.1Å |
| 275 | I | 91.5 | Very high | 89.1 | Confident | 20 Ų | 20 | 26.2 Ų | 26.2 | 10% | 0.103 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 177.3 | -59.6 | 168.6 | 0 | 0 | 0 | 110.9 | G271 I272 I277 V278 L279 A658 L662 L751 | G271-I275 WeakPolarHBondContact O-CG1 3.48Å; G271-I275 PolarHBondContact O-N 2.78Å; G271-I275 VanDerWaalsContact O-N 3.1Å; I272-I275 PolarHBondContact O-N 2.79Å; I275-I277 PolarHBondContact O-N 3.42Å; I275-V278 PolarHBondContact O-N 3.44Å; I275-L279 HydrophobicContact CG2-CD1 3.89Å; I275-L279 HydrophobicContact CG2-CG 4.12Å; I275-L279 WeakPolarHBondContact O-CB 3.44Å; I275-L279 WeakPolarHBondContact O-CG 3.43Å; I275-L279 PolarHBondContact O-N 2.8Å; I275-A658 HydrophobicContact CB-CB 4.34Å; I275-A658 HydrophobicContact CG1-CB 3.43Å; I275-A658 VanDerWaalsContact CG1-CB 3.43Å; I275-L662 HydrophobicContact CD1-CB 4.42Å; I275-L662 HydrophobicContact CD1-CD1 3.47Å; I275-L662 VanDerWaalsContact CD1-CD1 3.47Å; I275-L751 HydrophobicContact CB-CD2 4.03Å; I275-L751 HydrophobicContact CG2-CD2 3.59Å |
| 276 | G | 92.7 | Very high | 89 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.8 | -43.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I272 I273 S274 S280 | I272-G276 PolarHBondContact O-N 3.11Å; I273-G276 PolarHBondContact O-N 2.91Å; S274-G276 PolarHBondContact O-N 3.49Å; G276-S280 VanDerWaalsContact O-CB 3.29Å; G276-S280 WeakPolarHBondContact O-CB 3.48Å; G276-S280 PolarHBondContact O-N 2.78Å; G276-S280 PolarHBondContact O-OG 3.37Å |
| 277 | I | 92.6 | Very high | 88.9 | Confident | 42 Ų | 42 | 29.4 Ų | 29.4 | 22% | 0.215 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.4 | -47.3 | 175.3 | -69.3 | 168.8 | 0 | 0 | 0 | 110.4 | I273 S274 I275 L279 S280 L281 A720 A723 I727 | I273-I277 HydrophobicContact CG2-CD1 3.75Å; I273-I277 HydrophobicContact CG2-CG1 4.42Å; I273-I277 WeakPolarHBondContact O-CG1 3.35Å; I273-I277 PolarHBondContact O-N 3.39Å; S274-I277 PolarHBondContact O-N 3.18Å; I275-I277 PolarHBondContact O-N 3.42Å; I277-L279 PolarHBondContact O-N 3Å; I277-S280 WeakPolarHBondContact CA-OG 3.3Å; I277-S280 PolarHBondContact O-N 2.9Å; I277-S280 VanDerWaalsContact O-N 3.15Å; I277-S280 PolarHBondContact O-OG 3.44Å; I277-L281 HydrophobicContact CG2-CD1 3.98Å; I277-L281 WeakPolarHBondContact O-CG 3.49Å; I277-L281 PolarHBondContact O-N 3.2Å; I277-A720 HydrophobicContact CG1-CB 4.4Å; I277-A723 HydrophobicContact CD1-CB 4.08Å; I277-A723 HydrophobicContact CG1-CB 4.31Å; I277-I727 HydrophobicContact CD1-CD1 4.38Å; I277-I727 HydrophobicContact CG1-CD1 4.29Å; I277-I727 HydrophobicContact CG2-CD1 3.76Å |
| 278 | V | 91.7 | Very high | 88.9 | Confident | 18 Ų | 18 | 30.6 Ų | 30.6 | 11% | 0.109 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.9 | -48.4 | 177.7 | 168.4 | 0 | 0 | 0 | 0 | 111.6 | S274 I275 S280 L281 S282 L654 I655 | S274-V278 WeakPolarHBondContact O-CG2 3.24Å; S274-V278 PolarHBondContact O-N 3.37Å; S274-V278 VanDerWaalsContact O-N 3.1Å; I275-V278 PolarHBondContact O-N 3.44Å; V278-S280 VanDerWaalsContact C-N 3.34Å; V278-S280 PolarHBondContact O-N 2.74Å; V278-L281 PolarHBondContact O-N 3.46Å; V278-S282 WeakPolarHBondContact O-CB 3.33Å; V278-S282 PolarHBondContact O-N 3.05Å; V278-L654 HydrophobicContact CB-CB 4.35Å; V278-L654 HydrophobicContact CG1-CB 3.47Å; V278-L654 VanDerWaalsContact CG1-CB 3.47Å; V278-L654 HydrophobicContact CG1-CD1 4.31Å; V278-L654 HydrophobicContact CG2-CB 3.88Å; V278-I655 HydrophobicContact CG1-CG1 4.03Å |
| 279 | L | 91.5 | Very high | 88.6 | Confident | 29 Ų | 29 | 31.5 Ų | 31.5 | 15% | 0.152 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.5 | -35.4 | 177.9 | -70.3 | 178.5 | 0 | 0 | 0 | 112.2 | I275 I277 S283 I655 H747 L751 | I275-L279 HydrophobicContact CG2-CD1 3.89Å; I275-L279 HydrophobicContact CG2-CG 4.12Å; I275-L279 WeakPolarHBondContact O-CB 3.44Å; I275-L279 WeakPolarHBondContact O-CG 3.43Å; I275-L279 PolarHBondContact O-N 2.8Å; I277-L279 PolarHBondContact O-N 3Å; L279-S283 VanDerWaalsContact O-CB 3.23Å; L279-S283 WeakPolarHBondContact O-CB 3.42Å; L279-S283 PolarHBondContact O-N 3.27Å; L279-I655 HydrophobicContact CD2-CD1 4.14Å; L279-H747 HydrophobicContact CD1-CB 4.16Å; L279-L751 HydrophobicContact CD1-CD1 4.38Å; L279-L751 HydrophobicContact CD1-CD2 4.32Å; L279-L751 HydrophobicContact CD1-CG 4.44Å |
| 280 | S | 92.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.9 | -39.1 | 177.4 | 74.4 | 0 | 0 | 0 | 0 | 112.5 | G276 I277 V278 G284 Q742 | G276-S280 VanDerWaalsContact O-CB 3.29Å; G276-S280 WeakPolarHBondContact O-CB 3.48Å; G276-S280 PolarHBondContact O-N 2.78Å; G276-S280 PolarHBondContact O-OG 3.37Å; I277-S280 WeakPolarHBondContact CA-OG 3.3Å; I277-S280 PolarHBondContact O-N 2.9Å; I277-S280 VanDerWaalsContact O-N 3.15Å; I277-S280 PolarHBondContact O-OG 3.44Å; V278-S280 VanDerWaalsContact C-N 3.34Å; V278-S280 PolarHBondContact O-N 2.74Å; S280-G284 PolarHBondContact O-N 3.18Å; S280-Q742 WeakPolarHBondContact CA-O 3.47Å; S280-Q742 PolarHBondContact O-N 2.95Å |
| 281 | L | 91.5 | Very high | 87.2 | Confident | 39 Ų | 39 | 33.8 Ų | 33.8 | 20% | 0.204 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.5 | -51.4 | 175.5 | -73.5 | 169.8 | 0 | 0 | 0 | 110.3 | I277 V278 S283 G284 F285 I727 L731 A741 | I277-L281 HydrophobicContact CG2-CD1 3.98Å; I277-L281 WeakPolarHBondContact O-CG 3.49Å; I277-L281 PolarHBondContact O-N 3.2Å; V278-L281 PolarHBondContact O-N 3.46Å; L281-S283 PolarHBondContact O-N 2.59Å; L281-G284 PolarHBondContact O-N 3.4Å; L281-F285 HydrophobicContact CB-CD2 4.39Å; L281-F285 HydrophobicContact CD2-CE2 4.26Å; L281-F285 WeakPolarHBondContact O-CB 3.32Å; L281-F285 WeakPolarHBondContact O-CD2 3.45Å; L281-F285 PolarHBondContact O-N 3.33Å; L281-I727 HydrophobicContact CD2-CG2 3.86Å; L281-L731 HydrophobicContact CD2-CD1 3.73Å; L281-A741 HydrophobicContact CD2-CB 3.89Å |
| 282 | S | 89.8 | Confident | 86.4 | Confident | 24 Ų | 24 | 37.1 Ų | 37.1 | 17% | 0.168 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56 | -51.2 | 179.7 | 174.8 | 0 | 0 | 0 | 0 | 111.9 | V278 G284 F285 Q286 T651 | V278-S282 WeakPolarHBondContact O-CB 3.33Å; V278-S282 PolarHBondContact O-N 3.05Å; S282-G284 PolarHBondContact O-N 2.93Å; S282-F285 PolarHBondContact O-N 3.05Å; S282-Q286 WeakPolarHBondContact O-CB 3.41Å; S282-Q286 PolarHBondContact O-N 3.25Å; S282-T651 WeakPolarHBondContact CB-OG1 3.35Å; S282-T651 WeakPolarHBondContact OG-CG2 3.36Å; S282-T651 PolarHBondContact OG-OG1 3.37Å |
| 283 | S | 88.3 | Confident | 85.2 | Confident | 33 Ų | 33 | 38.3 Ų | 38.3 | 23% | 0.231 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.8 | -38 | -178.8 | -179.4 | 0 | 0 | 0 | 0 | 112.9 | L279 L281 K287 | L279-S283 VanDerWaalsContact O-CB 3.23Å; L279-S283 WeakPolarHBondContact O-CB 3.42Å; L279-S283 PolarHBondContact O-N 3.27Å; L281-S283 PolarHBondContact O-N 2.59Å; S283-K287 WeakPolarHBondContact O-CB 3.4Å; S283-K287 PolarHBondContact O-N 3.27Å; S283-K287 VanDerWaalsContact O-N 3.07Å |
| 284 | G | 89.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -81.9 | -31.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S280 L281 S282 K287 Q288 V740 | S280-G284 PolarHBondContact O-N 3.18Å; L281-G284 PolarHBondContact O-N 3.4Å; S282-G284 PolarHBondContact O-N 2.93Å; G284-K287 PolarHBondContact O-N 2.7Å; G284-Q288 WeakPolarHBondContact O-CB 3.47Å; G284-Q288 PolarHBondContact O-N 3.39Å; G284-V740 CarbonylContact C-O 3.48Å; G284-V740 WeakPolarHBondContact CA-O 3.23Å |
| 285 | F | 86.4 | Confident | 82.6 | Confident | 59 Ų | 59 | 42.5 Ų | 42.5 | 26% | 0.259 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.8 | -44.7 | 165.7 | -86 | -67.6 | 0 | 0 | 0 | 111.6 | L281 S282 K287 Q288 I289 M647 V740 | L281-F285 HydrophobicContact CB-CD2 4.39Å; L281-F285 HydrophobicContact CD2-CE2 4.26Å; L281-F285 WeakPolarHBondContact O-CB 3.32Å; L281-F285 WeakPolarHBondContact O-CD2 3.45Å; L281-F285 PolarHBondContact O-N 3.33Å; S282-F285 PolarHBondContact O-N 3.05Å; F285-K287 VanDerWaalsContact C-N 3.31Å; F285-K287 PolarHBondContact O-N 2.96Å; F285-Q288 PolarHBondContact O-N 3.01Å; F285-Q288 VanDerWaalsContact O-N 3.16Å; F285-I289 WeakPolarHBondContact O-CG1 3.46Å; F285-I289 PolarHBondContact O-N 3Å; F285-M647 HydrophobicContact CB-CE 3.43Å; F285-M647 VanDerWaalsContact CB-CE 3.43Å; F285-M647 HydrophobicContact CD1-CE 4.46Å; F285-M647 HydrophobicContact CD2-CE 4.01Å; F285-M647 HydrophobicContact CG-CE 3.75Å; F285-V740 HydrophobicContact CD1-CG1 3.59Å; F285-V740 HydrophobicContact CD2-CG1 3.66Å; F285-V740 HydrophobicContact CE1-CG1 3.5Å; F285-V740 HydrophobicContact CE2-CG1 3.55Å; F285-V740 HydrophobicContact CG-CG1 3.67Å; F285-V740 HydrophobicContact CZ-CG1 3.48Å; F285-V740 VanDerWaalsContact CZ-CG1 3.48Å; F285-V740 PolarHBondContact N-O 2.89Å |
| 286 | Q | 84.1 | Confident | 81.5 | Confident | 53 Ų | 53 | 44.5 Ų | 44.5 | 25% | 0.248 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.7 | -46 | 176.6 | -170.1 | 60.4 | 46 | 0 | 0 | 110.7 | S282 Q288 I289 D290 | S282-Q286 WeakPolarHBondContact O-CB 3.41Å; S282-Q286 PolarHBondContact O-N 3.25Å; Q286-Q288 VanDerWaalsContact C-N 3.34Å; Q286-Q288 PolarHBondContact O-N 2.82Å; Q286-I289 PolarHBondContact O-N 3.16Å; Q286-D290 PolarHBondContact NE2-OD1 3.26Å; Q286-D290 WeakPolarHBondContact O-CB 2.88Å; Q286-D290 PolarHBondContact O-N 2.82Å |
| 287 | K | 84.8 | Confident | 80.4 | Confident | 114 Ų | 114 | 47.3 Ų | 47.3 | 50% | 0.496 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.8 | -35.7 | 176.4 | -174.9 | 176.2 | 173.7 | -175.8 | 0 | 113.3 | S283 G284 F285 S291 | S283-K287 WeakPolarHBondContact O-CB 3.4Å; S283-K287 PolarHBondContact O-N 3.27Å; S283-K287 VanDerWaalsContact O-N 3.07Å; G284-K287 PolarHBondContact O-N 2.7Å; F285-K287 VanDerWaalsContact C-N 3.31Å; F285-K287 PolarHBondContact O-N 2.96Å; K287-S291 WeakPolarHBondContact O-CB 3.16Å; K287-S291 PolarHBondContact O-N 2.81Å; K287-S291 PolarHBondContact O-OG 2.7Å |
| 288 | Q | 80.8 | Confident | 79.2 | Confident | 46 Ų | 46 | 45.4 Ų | 45.4 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.3 | -38.3 | 177 | -170.3 | 61 | 30.4 | 0 | 0 | 111.5 | G284 F285 Q286 S291 T292 L737 | G284-Q288 WeakPolarHBondContact O-CB 3.47Å; G284-Q288 PolarHBondContact O-N 3.39Å; F285-Q288 PolarHBondContact O-N 3.01Å; F285-Q288 VanDerWaalsContact O-N 3.16Å; Q286-Q288 VanDerWaalsContact C-N 3.34Å; Q286-Q288 PolarHBondContact O-N 2.82Å; Q288-S291 WeakPolarHBondContact CA-OG 3.19Å; Q288-S291 PolarHBondContact O-OG 3.4Å; Q288-T292 PolarHBondContact NE2-OG1 3.16Å; Q288-T292 VanDerWaalsContact O-CB 3.23Å; Q288-T292 WeakPolarHBondContact O-CB 3.41Å; Q288-T292 PolarHBondContact O-N 3.44Å; Q288-T292 PolarHBondContact O-OG1 3.16Å; Q288-L737 HydrophobicContact CG-CD2 4.26Å |
| 289 | I | 75 | Confident | 78.3 | Confident | 24 Ų | 24 | 48 Ų | 48 | 12% | 0.123 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.3 | -50.8 | 173 | -70.5 | 162.5 | 0 | 0 | 0 | 109.8 | F285 Q286 S291 T292 Q293 T643 M647 | F285-I289 WeakPolarHBondContact O-CG1 3.46Å; F285-I289 PolarHBondContact O-N 3Å; Q286-I289 PolarHBondContact O-N 3.16Å; I289-S291 PolarHBondContact O-N 2.92Å; I289-S291 VanDerWaalsContact O-N 3.16Å; I289-T292 PolarHBondContact O-N 3.5Å; I289-Q293 HydrophobicContact CG2-CB 4.18Å; I289-Q293 WeakPolarHBondContact O-CA 2.83Å; I289-Q293 WeakPolarHBondContact O-CB 3.23Å; I289-Q293 PolarHBondContact O-N 3.01Å; I289-T643 HydrophobicContact CD1-CG2 3.82Å; I289-T643 HydrophobicContact CG1-CG2 4.38Å; I289-M647 HydrophobicContact CD1-CG 3.85Å |
| 290 | D | 74.4 | Confident | 77.9 | Confident | 80 Ų | 80 | 49.4 Ų | 49.4 | 43% | 0.428 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.2 | -26.4 | -180 | -64.1 | -14.2 | 0 | 0 | 0 | 112.4 | Q286 A294 | Q286-D290 PolarHBondContact NE2-OD1 3.26Å; Q286-D290 WeakPolarHBondContact O-CB 2.88Å; Q286-D290 PolarHBondContact O-N 2.82Å; D290-A294 WeakPolarHBondContact O-CB 3.4Å |
| 291 | S | 75.3 | Confident | 77.7 | Confident | 53 Ų | 53 | 49.6 Ų | 49.6 | 37% | 0.371 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -85.7 | -53.4 | 174.3 | 49.2 | 0 | 0 | 0 | 0 | 112 | K287 Q288 I289 E295 | K287-S291 WeakPolarHBondContact O-CB 3.16Å; K287-S291 PolarHBondContact O-N 2.81Å; K287-S291 PolarHBondContact O-OG 2.7Å; Q288-S291 WeakPolarHBondContact CA-OG 3.19Å; Q288-S291 PolarHBondContact O-OG 3.4Å; I289-S291 PolarHBondContact O-N 2.92Å; I289-S291 VanDerWaalsContact O-N 3.16Å; S291-E295 WeakPolarHBondContact O-CB 3.44Å; S291-E295 PolarHBondContact O-N 2.9Å |
| 292 | T | 69.4 | Low | 77.7 | Confident | 72 Ų | 72 | 47.7 Ų | 47.7 | 44% | 0.442 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -70.2 | -46.1 | -173.8 | -49.6 | 0 | 0 | 0 | 0 | 111.7 | Q288 I289 T296 | Q288-T292 PolarHBondContact NE2-OG1 3.16Å; Q288-T292 VanDerWaalsContact O-CB 3.23Å; Q288-T292 WeakPolarHBondContact O-CB 3.41Å; Q288-T292 PolarHBondContact O-N 3.44Å; Q288-T292 PolarHBondContact O-OG1 3.16Å; I289-T292 PolarHBondContact O-N 3.5Å; T292-T296 WeakPolarHBondContact O-CB 3Å; T292-T296 PolarHBondContact O-N 2.97Å; T292-T296 PolarHBondContact O-OG1 3.41Å |
| 293 | Q | 65 | Low | 77.9 | Confident | 29 Ų | 29 | 46.7 Ų | 46.7 | 14% | 0.136 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -82.8 | -42.9 | -173.8 | -164.5 | 165.6 | -6 | 0 | 0 | 111.5 | I289 E295 M297 M639 | I289-Q293 HydrophobicContact CG2-CB 4.18Å; I289-Q293 WeakPolarHBondContact O-CA 2.83Å; I289-Q293 WeakPolarHBondContact O-CB 3.23Å; I289-Q293 PolarHBondContact O-N 3.01Å; Q293-E295 PolarHBondContact O-N 3.38Å; Q293-M297 HydrophobicContact CG-CB 4.36Å; Q293-M297 HydrophobicContact CG-CG 4.02Å; Q293-M297 HydrophobicContact CG-SD 3.66Å; Q293-M297 WeakPolarHBondContact O-CA 3.23Å; Q293-M297 WeakPolarHBondContact O-CB 3.1Å; Q293-M297 PolarHBondContact O-N 2.91Å; Q293-M639 PolarHBondContact NE2-O 3.39Å |
| 294 | A | 64.3 | Low | 78.1 | Confident | 12 Ų | 12 | 45.1 Ų | 45.1 | 10% | 0.099 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | D290 A298 Y607 | D290-A294 WeakPolarHBondContact O-CB 3.4Å; A294-A298 WeakPolarHBondContact O-CA 3.32Å; A294-A298 WeakPolarHBondContact O-CB 3.19Å; A294-A298 PolarHBondContact O-N 2.83Å; A294-Y607 HydrophobicContact CB-CD1 4.09Å; A294-Y607 HydrophobicContact CB-CD2 3.48Å; A294-Y607 VanDerWaalsContact CB-CD2 3.48Å; A294-Y607 HydrophobicContact CB-CE1 4.44Å; A294-Y607 HydrophobicContact CB-CE2 3.85Å; A294-Y607 HydrophobicContact CB-CG 3.61Å |
| 295 | E | 64.3 | Low | 78.2 | Confident | 145 Ų | 145 | 45.4 Ų | 45.4 | 68% | 0.678 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -76.3 | -44 | -176.3 | -168.2 | 166 | -165.9 | 0 | 0 | 113 | S291 Q293 | S291-E295 WeakPolarHBondContact O-CB 3.44Å; S291-E295 PolarHBondContact O-N 2.9Å; Q293-E295 PolarHBondContact O-N 3.38Å |
| 296 | T | 69.1 | Low | 78.2 | Confident | 63 Ų | 63 | 45.4 Ų | 45.4 | 39% | 0.387 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -72.4 | -44.1 | -178 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | T292 T535 | T292-T296 WeakPolarHBondContact O-CB 3Å; T292-T296 PolarHBondContact O-N 2.97Å; T292-T296 PolarHBondContact O-OG1 3.41Å; T296-T535 HydrophobicContact CG2-CG2 3.3Å; T296-T535 PolarHBondContact O-OG1 2.98Å; T296-T535 VanDerWaalsContact O-OG1 3.08Å |
| 297 | M | 68.4 | Low | 78.3 | Confident | 58 Ų | 58 | 47 Ų | 47 | 29% | 0.286 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -95.1 | -17.3 | -173.7 | -56.5 | -163.6 | 131.7 | 0 | 0 | 114.3 | Q293 K299 Y300 A636 | Q293-M297 HydrophobicContact CG-CB 4.36Å; Q293-M297 HydrophobicContact CG-CG 4.02Å; Q293-M297 HydrophobicContact CG-SD 3.66Å; Q293-M297 WeakPolarHBondContact O-CA 3.23Å; Q293-M297 WeakPolarHBondContact O-CB 3.1Å; Q293-M297 PolarHBondContact O-N 2.91Å; M297-K299 PolarHBondContact O-N 3Å; M297-Y300 HydrophobicContact CB-CD2 3.91Å; M297-Y300 HydrophobicContact CB-CE2 4.23Å; M297-Y300 HydrophobicContact CE-CE2 4.22Å; M297-Y300 HydrophobicContact CG-CD2 4.35Å; M297-Y300 HydrophobicContact CG-CE2 4.16Å; M297-Y300 WeakPolarHBondContact O-CB 3.43Å; M297-Y300 WeakPolarHBondContact O-CD2 3.34Å; M297-Y300 PolarHBondContact O-N 2.81Å; M297-A636 HydrophobicContact CB-CB 3.87Å; M297-A636 WeakPolarHBondContact O-CB 3.25Å |
| 298 | A | 67.2 | Low | 78.2 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -23.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A294 Y300 Y607 | A294-A298 WeakPolarHBondContact O-CA 3.32Å; A294-A298 WeakPolarHBondContact O-CB 3.19Å; A294-A298 PolarHBondContact O-N 2.83Å; A298-Y300 PolarHBondContact O-N 3.19Å; A298-Y607 HydrophobicContact CB-CD2 3.94Å; A298-Y607 HydrophobicContact CB-CG 4.22Å |
| 299 | K | 72.7 | Confident | 78.2 | Confident | 72 Ų | 72 | 43 Ų | 43 | 31% | 0.313 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -8.8 | 178.5 | -61.5 | -174.6 | -179 | 179.4 | 0 | 113.4 | M297 M536 | M297-K299 PolarHBondContact O-N 3Å; K299-M536 HydrophobicContact CB-CE 4.41Å; K299-M536 HydrophobicContact CB-CG 3.64Å; K299-M536 HydrophobicContact CB-SD 3.78Å; K299-M536 HydrophobicContact CD-CG 4.02Å; K299-M536 HydrophobicContact CD-SD 3.95Å; K299-M536 HydrophobicContact CG-CG 4.44Å; K299-M536 HydrophobicContact CG-SD 4.26Å; K299-M536 WeakPolarHBondContact O-CE 3.29Å |
| 300 | Y | 83.9 | Confident | 78.3 | Confident | 59 Ų | 59 | 42.6 Ų | 42.6 | 23% | 0.231 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -65.3 | 137.2 | 170.4 | -81.1 | -78.6 | 0 | 0 | 0 | 110.2 | M297 A298 M414 L538 A636 | M297-Y300 HydrophobicContact CB-CD2 3.91Å; M297-Y300 HydrophobicContact CB-CE2 4.23Å; M297-Y300 HydrophobicContact CE-CE2 4.22Å; M297-Y300 HydrophobicContact CG-CD2 4.35Å; M297-Y300 HydrophobicContact CG-CE2 4.16Å; M297-Y300 WeakPolarHBondContact O-CB 3.43Å; M297-Y300 WeakPolarHBondContact O-CD2 3.34Å; M297-Y300 PolarHBondContact O-N 2.81Å; A298-Y300 PolarHBondContact O-N 3.19Å; Y300-M414 HydrophobicContact CD1-CG 4.47Å; Y300-M414 HydrophobicContact CD1-SD 4.23Å; Y300-M414 HydrophobicContact CE1-CG 4.22Å; Y300-M414 HydrophobicContact CE1-SD 3.56Å; Y300-M414 VanDerWaalsContact CE1-SD 3.56Å; Y300-L538 HydrophobicContact CD1-CD2 4.07Å; Y300-L538 HydrophobicContact CE1-CD2 4.1Å; Y300-A636 HydrophobicContact CD2-CB 4.47Å |
| 301 | P | 88.5 | Confident | 77.9 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -70.1 | 144 | -177.7 | 28.1 | -33.2 | 0 | 0 | 0 | 111.1 | T303 L538 M601 I602 Y603 | P301-T303 PolarHBondContact O-N 3.19Å; P301-L538 HydrophobicContact CG-CD1 4.34Å; P301-M601 HydrophobicContact CB-CB 4.01Å; P301-I602 CarbonylContact C-O 3.53Å; P301-I602 WeakPolarHBondContact CA-O 3.42Å; P301-I602 WeakPolarHBondContact CB-O 3.05Å; P301-Y603 HydrophobicContact CB-CD1 3.95Å; P301-Y603 HydrophobicContact CB-CD2 4.38Å; P301-Y603 HydrophobicContact CB-CE1 3.97Å; P301-Y603 HydrophobicContact CB-CE2 4.37Å; P301-Y603 HydrophobicContact CB-CG 4.18Å; P301-Y603 HydrophobicContact CG-CD1 4.42Å; P301-Y603 HydrophobicContact CG-CE1 4.09Å |
| 302 | I | 91.9 | Very high | 77.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 122.5 | 161.8 | -61.7 | 160.5 | 0 | 0 | 0 | 106.3 | M601 I602 P604 K610 I613 L614 L617 Y632 | I302-M601 WeakPolarHBondContact O-CA 3.43Å; I302-I602 HydrophobicContact CB-CB 4.4Å; I302-I602 PolarHBondContact N-O 3.32Å; I302-I602 PolarHBondContact O-N 2.85Å; I302-P604 HydrophobicContact CD1-CG 4.25Å; I302-K610 HydrophobicContact CD1-CG 4.06Å; I302-I613 HydrophobicContact CD1-CB 4.19Å; I302-I613 HydrophobicContact CD1-CG2 3.61Å; I302-L614 HydrophobicContact CD1-CD2 3.64Å; I302-L614 HydrophobicContact CD1-CG 4.19Å; I302-L614 HydrophobicContact CG1-CD2 4.15Å; I302-L617 HydrophobicContact CG2-CD1 3.87Å; I302-Y632 HydrophobicContact CG2-CD2 4.01Å; I302-Y632 HydrophobicContact CG2-CG 4.02Å |
| 303 | T | 92.4 | Very high | 76.8 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 129.8 | -175.6 | -55.3 | 0 | 0 | 0 | 0 | 110.8 | P301 M411 S599 I600 M601 Y632 T633 | P301-T303 PolarHBondContact O-N 3.19Å; T303-M411 VanDerWaalsContact CG2-O 3.31Å; T303-M411 WeakPolarHBondContact CG2-O 3.26Å; T303-S599 VanDerWaalsContact CG2-OG 3.3Å; T303-S599 WeakPolarHBondContact CG2-OG 3.38Å; T303-I600 CarbonylContact C-O 3.59Å; T303-I600 WeakPolarHBondContact CA-O 3.02Å; T303-M601 HydrophobicContact CG2-CG 4.49Å; T303-Y632 CarbonylContact O-C 3.55Å; T303-Y632 WeakPolarHBondContact O-CA 3.42Å; T303-T633 PolarHBondContact N-O 3.43Å; T303-T633 PolarHBondContact O-N 3.17Å |
| 304 | I | 93.3 | Very high | 76.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 94.3 | 175.5 | -55.5 | 149.5 | 0 | 0 | 0 | 107 | I351 Y355 I359 S599 I600 I602 L617 I630 | I304-I351 HydrophobicContact CG2-CD1 4.22Å; I304-Y355 HydrophobicContact CD1-CE1 4.03Å; I304-Y355 WeakPolarHBondContact CD1-OH 3.49Å; I304-Y355 HydrophobicContact CG2-CE1 4.13Å; I304-I359 HydrophobicContact CD1-CD1 4.28Å; I304-S599 CarbonylContact O-C 3.5Å; I304-S599 VanDerWaalsContact O-CA 3.3Å; I304-S599 WeakPolarHBondContact O-CA 3.09Å; I304-I600 HydrophobicContact CB-CB 4.18Å; I304-I600 HydrophobicContact CD1-CB 4.28Å; I304-I600 HydrophobicContact CD1-CG2 4.44Å; I304-I600 PolarHBondContact N-O 3.12Å; I304-I600 PolarHBondContact O-N 3.09Å; I304-I602 HydrophobicContact CD1-CD1 3.73Å; I304-L617 HydrophobicContact CD1-CD2 4.37Å; I304-I630 HydrophobicContact CG2-CG2 3.52Å |
| 305 | S | 90.2 | Very high | 75.9 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 150.2 | 176.4 | -53.3 | 0 | 0 | 0 | 0 | 110.9 | T307 N349 S410 M411 S599 | S305-T307 VanDerWaalsContact C-N 3.27Å; S305-T307 WeakPolarHBondContact CB-O 3.41Å; S305-T307 PolarHBondContact O-N 3.37Å; S305-N349 PolarHBondContact O-ND2 3.45Å; S305-S410 PolarHBondContact OG-O 3.39Å; S305-M411 WeakPolarHBondContact OG-CA 3.22Å; S305-S599 PolarHBondContact OG-OG 3.44Å |
| 306 | K | 87.3 | Confident | 75.4 | Confident | 59 Ų | 59 | 52.1 Ų | 52.1 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -57.9 | -40.1 | 174 | -178.2 | 172.9 | 174.5 | 179.1 | 0 | 112.4 | T348 N349 I351 E585 S598 | K306-T348 CarbonylContact O-C 3.47Å; K306-T348 WeakPolarHBondContact O-CA 3.23Å; K306-N349 PolarHBondContact O-N 3.25Å; K306-I351 HydrophobicContact CB-CD1 4.47Å; K306-E585 IonicContact NZ-OE1 3.63Å; K306-E585 PolarHBondContact NZ-OE1 3.38Å; K306-E585 IonicContact NZ-OE2 3.1Å; K306-E585 PolarHBondContact NZ-OE2 3.25Å; K306-S598 WeakPolarHBondContact CB-O 3.21Å; K306-S598 PolarHBondContact N-O 3.26Å |
| 307 | T | 85.3 | Confident | 74.6 | Confident | 87 Ų | 87 | 55 Ų | 55 | 53% | 0.534 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 126.7 | 171.4 | 50.5 | 0 | 0 | 0 | 0 | 109.3 | S305 | S305-T307 VanDerWaalsContact C-N 3.27Å; S305-T307 WeakPolarHBondContact CB-O 3.41Å; S305-T307 PolarHBondContact O-N 3.37Å |
| 308 | T | 84.2 | Confident | 73.9 | Confident | 10 Ų | 10 | 56 Ų | 56 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 173 | 179.8 | -169.3 | 0 | 0 | 0 | 0 | 110.6 | H347 I631 T633 | T308-H347 HydrophobicContact CG2-CB 4.29Å; T308-H347 PolarHBondContact N-O 2.77Å; T308-H347 PolarHBondContact O-N 3.42Å; T308-I631 HydrophobicContact CG2-CB 3.74Å; T308-I631 HydrophobicContact CG2-CG2 3.85Å; T308-T633 PolarHBondContact OG1-OG1 2.84Å |
| 309 | T | 80.4 | Confident | 73.3 | Confident | 66 Ų | 66 | 63.1 Ų | 63.1 | 41% | 0.405 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 122.8 | 176 | -54.6 | 0 | 0 | 0 | 0 | 109.2 | Q311 A345 | T309-Q311 PolarHBondContact O-N 3.3Å; T309-A345 CarbonylContact C-O 3.55Å; T309-A345 WeakPolarHBondContact CA-O 3.43Å; T309-A345 HydrophobicContact CG2-CB 3.91Å |
| 310 | D | 76.6 | Confident | 72.4 | Confident | 15 Ų | 15 | 62.8 Ų | 62.8 | 8% | 0.08 | 35% | 0.352 | C | S | . | . | trans | -70.6 | 94.7 | 171 | -179.3 | 7.7 | 0 | 0 | 0 | 109.6 | S312 A345 K626 I631 | D310-S312 PolarHBondContact O-N 3.03Å; D310-S312 VanDerWaalsContact OD1-CB 3.32Å; D310-S312 WeakPolarHBondContact OD1-CB 3.41Å; D310-S312 PolarHBondContact OD1-N 3.37Å; D310-S312 PolarHBondContact OD1-OG 3.33Å; D310-S312 PolarHBondContact OD2-OG 3.29Å; D310-A345 PolarHBondContact N-O 2.57Å; D310-K626 WeakPolarHBondContact OD2-CE 3.12Å; D310-K626 IonicContact OD2-NZ 3.49Å; D310-K626 PolarHBondContact OD2-NZ 3.31Å; D310-I631 HydrophobicContact CB-CD1 3.83Å | ||
| 311 | Q | 66.8 | Low | 71 | Confident | 125 Ų | 125 | 63.5 Ų | 63.5 | 58% | 0.584 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -67.6 | -21.5 | 178 | -65.6 | -162.2 | -12.5 | 0 | 0 | 113.1 | T309 A313 N314 | T309-Q311 PolarHBondContact O-N 3.3Å; Q311-A313 VanDerWaalsContact C-N 3.32Å; Q311-A313 PolarHBondContact O-N 2.86Å; Q311-N314 PolarHBondContact O-N 3.42Å |
| 312 | S | 65 | Low | 69.2 | Low | 92 Ų | 92 | 69.5 Ų | 69.5 | 64% | 0.643 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -68.4 | -32.2 | -178.6 | 77 | 0 | 0 | 0 | 0 | 112.2 | D310 N314 | D310-S312 PolarHBondContact O-N 3.03Å; D310-S312 VanDerWaalsContact OD1-CB 3.32Å; D310-S312 WeakPolarHBondContact OD1-CB 3.41Å; D310-S312 PolarHBondContact OD1-N 3.37Å; D310-S312 PolarHBondContact OD1-OG 3.33Å; D310-S312 PolarHBondContact OD2-OG 3.29Å; S312-N314 VanDerWaalsContact C-N 3.3Å; S312-N314 PolarHBondContact O-N 2.92Å |
| 313 | A | 56.5 | Low | 67.2 | Low | 53 Ų | 53 | 78.5 Ų | 78.5 | 44% | 0.438 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -72.8 | -19.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q311 | Q311-A313 VanDerWaalsContact C-N 3.32Å; Q311-A313 PolarHBondContact O-N 2.86Å |
| 314 | N | 55.9 | Low | 65.4 | Low | 36 Ų | 36 | 83.4 Ų | 83.4 | 19% | 0.193 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 2.3 | -165.4 | -107.7 | -9.3 | 0 | 0 | 0 | 115.6 | Q311 S312 D316 R317 A318 D341 | Q311-N314 PolarHBondContact O-N 3.42Å; S312-N314 VanDerWaalsContact C-N 3.3Å; S312-N314 PolarHBondContact O-N 2.92Å; N314-D316 PolarHBondContact O-N 2.81Å; N314-R317 PolarHBondContact O-N 3.28Å; N314-R317 VanDerWaalsContact O-N 3.16Å; N314-A318 VanDerWaalsContact O-CB 3.23Å; N314-A318 WeakPolarHBondContact O-CB 3.49Å; N314-A318 PolarHBondContact O-N 2.96Å; N314-D341 PolarHBondContact ND2-O 2.96Å |
| 315 | R | 54.6 | Low | 63.2 | Low | 139 Ų | 139 | 89 Ų | 89 | 53% | 0.525 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -39 | 178.7 | -91.4 | -173.6 | 147.3 | 172.2 | -3.2 | 113 | E641 | R315-E641 IonicContact CZ-OE1 3.48Å; R315-E641 IonicContact NH1-OE1 3.63Å; R315-E641 PolarHBondContact NH1-OE1 2.88Å; R315-E641 VanDerWaalsContact NH2-CD 3.35Å; R315-E641 IonicContact NH2-OE1 3.55Å; R315-E641 PolarHBondContact NH2-OE1 3.45Å; R315-E641 IonicContact NH2-OE2 2.77Å |
| 316 | D | 52.5 | Low | 61.4 | Low | 145 Ų | 145 | 91.6 Ų | 91.6 | 78% | 0.775 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -20.2 | -178.2 | -65.9 | -27.9 | 0 | 0 | 0 | 114.5 | N314 S321 | N314-D316 PolarHBondContact O-N 2.81Å; D316-S321 PolarHBondContact O-OG 2.77Å |
| 317 | R | 53.1 | Low | 59.6 | Low | 123 Ų | 123 | 93.7 Ų | 93.7 | 46% | 0.464 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106 | -33.2 | -175.7 | -81 | -171.3 | 172.3 | 146 | 9 | 114.2 | N314 L319 G320 E322 | N314-R317 PolarHBondContact O-N 3.28Å; N314-R317 VanDerWaalsContact O-N 3.16Å; R317-L319 PolarHBondContact O-N 2.72Å; R317-L319 VanDerWaalsContact O-N 3.13Å; R317-G320 PolarHBondContact O-N 3.19Å; R317-G320 VanDerWaalsContact O-N 3.08Å; R317-E322 IonicContact CZ-OE1 3.91Å; R317-E322 IonicContact NE-OE1 2.64Å; R317-E322 PolarHBondContact NE-OE1 2.85Å; R317-E322 IonicContact NH2-OE1 2.97Å; R317-E322 PolarHBondContact NH2-OE1 3.49Å |
| 318 | A | 52.4 | Low | 58 | Low | 80 Ų | 80 | 94.9 Ų | 94.9 | 66% | 0.661 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -24.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | N314 G320 | N314-A318 VanDerWaalsContact O-CB 3.23Å; N314-A318 WeakPolarHBondContact O-CB 3.49Å; N314-A318 PolarHBondContact O-N 2.96Å; A318-G320 PolarHBondContact O-N 3.23Å |
| 319 | L | 55.5 | Low | 56.6 | Low | 151 Ų | 151 | 102.2 Ų | 102.2 | 79% | 0.791 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 6.4 | 178.7 | -69.7 | 165.2 | 0 | 0 | 0 | 113.9 | R317 S321 | R317-L319 PolarHBondContact O-N 2.72Å; R317-L319 VanDerWaalsContact O-N 3.13Å; L319-S321 PolarHBondContact O-N 3.18Å |
| 320 | G | 54.6 | Low | 55.6 | Low | 65 Ų | 65 | 106 Ų | 106 | 67% | 0.67 | 62% | 0.615 | S | S | * | * | trans | 67.3 | 19.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | R317 A318 E322 | R317-G320 PolarHBondContact O-N 3.19Å; R317-G320 VanDerWaalsContact O-N 3.08Å; A318-G320 PolarHBondContact O-N 3.23Å; G320-E322 VanDerWaalsContact C-N 3.26Å; G320-E322 PolarHBondContact O-N 3.01Å | ||
| 321 | S | 53.9 | Low | 54.9 | Low | 75 Ų | 75 | 107.7 Ų | 107.7 | 52% | 0.524 | 63% | 0.626 | S | S | . | * | trans | -78 | -1.7 | -176.9 | 36.2 | 0 | 0 | 0 | 0 | 114.5 | D316 L319 K323 | D316-S321 PolarHBondContact O-OG 2.77Å; L319-S321 PolarHBondContact O-N 3.18Å; S321-K323 PolarHBondContact O-N 3.39Å | ||
| 322 | E | 50.7 | Low | 54.9 | Low | 130 Ų | 130 | 110.6 Ų | 110.6 | 61% | 0.607 | 64% | 0.636 | S | S | * | * | trans | -66.2 | 88 | 163.8 | -82.2 | -168.9 | -179.9 | 0 | 0 | 108.3 | R317 G320 A324 | R317-E322 IonicContact CZ-OE1 3.91Å; R317-E322 IonicContact NE-OE1 2.64Å; R317-E322 PolarHBondContact NE-OE1 2.85Å; R317-E322 IonicContact NH2-OE1 2.97Å; R317-E322 PolarHBondContact NH2-OE1 3.49Å; G320-E322 VanDerWaalsContact C-N 3.26Å; G320-E322 PolarHBondContact O-N 3.01Å; E322-A324 PolarHBondContact O-N 3.46Å | ||
| 323 | K | 50.6 | Low | 55.5 | Low | 188 Ų | 188 | 114 Ų | 114 | 82% | 0.817 | 65% | 0.648 | S | S | * | * | trans | -45.9 | 134.6 | 153.6 | -75.1 | -176.4 | 178 | 178.3 | 0 | 106.1 | S321 S325 | S321-K323 PolarHBondContact O-N 3.39Å; K323-S325 WeakPolarHBondContact O-CA 3.37Å; K323-S325 PolarHBondContact O-N 2.88Å | ||
| 324 | A | 52.9 | Low | 56.5 | Low | 107 Ų | 107 | 114.9 Ų | 114.9 | 88% | 0.884 | 65% | 0.65 | S | S | * | * | trans | -50.4 | 87.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | E322 G326 | E322-A324 PolarHBondContact O-N 3.46Å; A324-G326 PolarHBondContact O-N 2.72Å; A324-G326 VanDerWaalsContact O-N 3.11Å | ||
| 325 | S | 48.3 | Very low | 57.7 | Low | 118 Ų | 118 | 120 Ų | 120 | 83% | 0.825 | 68% | 0.683 | S | S | * | * | trans | -84.6 | 97 | -173.4 | 176.8 | 0 | 0 | 0 | 0 | 105.6 | K323 | K323-S325 WeakPolarHBondContact O-CA 3.37Å; K323-S325 PolarHBondContact O-N 2.88Å | ||
| 326 | G | 52 | Low | 59 | Low | 60 Ų | 60 | 117.6 Ų | 117.6 | 62% | 0.619 | 68% | 0.683 | S | S | * | * | trans | 71.8 | 117.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A324 N328 | A324-G326 PolarHBondContact O-N 2.72Å; A324-G326 VanDerWaalsContact O-N 3.11Å; G326-N328 VanDerWaalsContact C-N 3.34Å; G326-N328 PolarHBondContact O-N 3.07Å | ||
| 327 | S | 49.1 | Very low | 60.5 | Low | 102 Ų | 102 | 115.6 Ų | 115.6 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | trans | -53.2 | 106.6 | 153.3 | 49.9 | 0 | 0 | 0 | 0 | 107.4 | K329 | S327-K329 PolarHBondContact O-N 3.19Š| ||
| 328 | N | 52.8 | Low | 61.9 | Low | 113 Ų | 113 | 117.7 Ų | 117.7 | 60% | 0.604 | 70% | 0.699 | S | S | * | * | trans | -69.1 | 91.5 | 173.1 | -153.4 | 9.5 | 0 | 0 | 0 | 105.9 | G326 D330 T331 | G326-N328 VanDerWaalsContact C-N 3.34Å; G326-N328 PolarHBondContact O-N 3.07Å; N328-D330 PolarHBondContact O-N 3.41Å; N328-T331 PolarHBondContact O-N 3.41Å; N328-T331 VanDerWaalsContact O-N 3.12Å; N328-T331 PolarHBondContact O-OG1 3.02Å | ||
| 329 | K | 55.1 | Low | 63.3 | Low | 164 Ų | 164 | 119.2 Ų | 119.2 | 71% | 0.713 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -57.1 | -17 | -170.7 | -81.8 | -178.1 | 177.7 | 175.2 | 0 | 112.9 | S327 | S327-K329 PolarHBondContact O-N 3.19Š|
| 330 | D | 59.4 | Low | 64.4 | Low | 146 Ų | 146 | 114.4 Ų | 114.4 | 78% | 0.781 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -85.9 | 0.2 | -178.5 | -64.5 | -27.5 | 0 | 0 | 0 | 114.9 | N328 | N328-D330 PolarHBondContact O-N 3.41Š|
| 331 | T | 60.5 | Low | 65.6 | Low | 50 Ų | 50 | 114.3 Ų | 114.3 | 31% | 0.307 | 66% | 0.658 | S | S | . | * | G | 310 helix | trans | -108.5 | 18 | 179.5 | 50.1 | 0 | 0 | 0 | 0 | 114.5 | N328 N333 S334 V336 | N328-T331 PolarHBondContact O-N 3.41Å; N328-T331 VanDerWaalsContact O-N 3.12Å; N328-T331 PolarHBondContact O-OG1 3.02Å; T331-N333 PolarHBondContact O-N 2.93Å; T331-S334 PolarHBondContact O-N 2.82Å; T331-V336 HydrophobicContact CG2-CG2 3.98Å |
| 332 | K | 68.2 | Low | 66.5 | Low | 185 Ų | 185 | 118.1 Ų | 118.1 | 80% | 0.804 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.1 | -32.7 | -177.2 | -86.1 | -174.4 | 176.3 | -178.1 | 0 | 114.8 | ||
| 333 | N | 75.9 | Confident | 67.9 | Low | 165 Ų | 165 | 115.6 Ų | 115.6 | 88% | 0.882 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.8 | 17.2 | -178 | -69.5 | 7.5 | 0 | 0 | 0 | 113.8 | T331 | T331-N333 PolarHBondContact O-N 2.93Š|
| 334 | S | 79 | Confident | 69.3 | Low | 70 Ų | 70 | 111.8 Ų | 111.8 | 49% | 0.49 | 64% | 0.639 | S | S | . | * | trans | -140.3 | 143.8 | 179.7 | 61.5 | 0 | 0 | 0 | 0 | 112.7 | T331 | T331-S334 PolarHBondContact O-N 2.82Š| ||
| 335 | V | 80 | Confident | 70.5 | Confident | 145 Ų | 145 | 106.9 Ų | 106.9 | 88% | 0.879 | 60% | 0.599 | S | S | * | * | trans | -97.5 | 128.6 | 172.6 | -180 | 0 | 0 | 0 | 0 | 108 | A337 | V335-A337 PolarHBondContact O-N 3.36Š| ||
| 336 | V | 82.6 | Confident | 72.2 | Confident | 88 Ų | 88 | 106.9 Ų | 106.9 | 53% | 0.533 | 59% | 0.586 | S | S | . | * | trans | -88.2 | 108 | 172.3 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | T331 K338 | T331-V336 HydrophobicContact CG2-CG2 3.98Å; V336-K338 HydrophobicContact CG1-CG 3.9Å; V336-K338 PolarHBondContact O-N 3.44Å; V336-K338 VanDerWaalsContact O-N 3.16Å | ||
| 337 | A | 84.5 | Confident | 73.9 | Confident | 103 Ų | 103 | 105 Ų | 105 | 85% | 0.851 | 56% | 0.561 | S | S | * | * | trans | -63.6 | 114.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | V335 | V335-A337 PolarHBondContact O-N 3.36Š| ||
| 338 | K | 83 | Confident | 75.8 | Confident | 167 Ų | 167 | 104.1 Ų | 104.1 | 73% | 0.726 | 55% | 0.551 | S | S | * | * | trans | -117 | 137.6 | 175.5 | -69 | -174.6 | 178.1 | 178.6 | 0 | 108.8 | V336 S340 | V336-K338 HydrophobicContact CG1-CG 3.9Å; V336-K338 PolarHBondContact O-N 3.44Å; V336-K338 VanDerWaalsContact O-N 3.16Å; K338-S340 PolarHBondContact O-N 2.62Å | ||
| 339 | I | 81.7 | Confident | 77.6 | Confident | 111 Ų | 111 | 98.9 Ų | 98.9 | 57% | 0.569 | 52% | 0.523 | S | S | * | . | trans | -55.9 | 134.7 | 163.8 | -61 | 174.9 | 0 | 0 | 0 | 107.5 | D343 K344 | I339-D343 HydrophobicContact CG2-CB 3.51Å; I339-K344 HydrophobicContact CB-CG 4.22Å; I339-K344 HydrophobicContact CG2-CG 3.83Å; I339-K344 WeakPolarHBondContact O-CE 3.32Å; I339-K344 PolarHBondContact O-NZ 3.01Å | ||
| 340 | S | 78.5 | Confident | 79.3 | Confident | 50 Ų | 50 | 97 Ų | 97 | 35% | 0.35 | 52% | 0.515 | S | S | . | . | trans | -62.2 | 150.3 | -179.8 | 80.3 | 0 | 0 | 0 | 0 | 109.9 | K338 K342 D343 K344 | K338-S340 PolarHBondContact O-N 2.62Å; S340-K342 PolarHBondContact O-N 2.74Å; S340-D343 WeakPolarHBondContact CB-OD2 3.41Å; S340-D343 PolarHBondContact O-N 3.44Å; S340-D343 VanDerWaalsContact O-N 3.07Å; S340-D343 PolarHBondContact OG-N 3.05Å; S340-D343 PolarHBondContact OG-OD1 3.34Å; S340-D343 PolarHBondContact OG-OD2 3.2Å; S340-K344 PolarHBondContact O-N 3.21Å | ||
| 341 | D | 78.3 | Confident | 80.7 | Confident | 64 Ų | 64 | 90.9 Ų | 90.9 | 34% | 0.342 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.2 | -20.3 | 177.7 | -64 | -38.2 | 0 | 0 | 0 | 112.2 | N314 K344 A345 | N314-D341 PolarHBondContact ND2-O 2.96Å; D341-K344 IonicContact OD1-NZ 2.64Å; D341-K344 PolarHBondContact OD1-NZ 2.76Å; D341-A345 WeakPolarHBondContact O-CB 3.25Å; D341-A345 PolarHBondContact O-N 2.96Å |
| 342 | K | 74.3 | Confident | 82.2 | Confident | 154 Ų | 154 | 91.1 Ų | 91.1 | 67% | 0.67 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.5 | -49 | 168.6 | -177.7 | -177.2 | 176.6 | -175.6 | 0 | 110.9 | S340 A345 Q346 | S340-K342 PolarHBondContact O-N 2.74Å; K342-A345 PolarHBondContact O-N 3.5Å; K342-A345 VanDerWaalsContact O-N 3.17Å; K342-Q346 PolarHBondContact O-N 3.44Å |
| 343 | D | 79.2 | Confident | 83.2 | Confident | 77 Ų | 77 | 85.9 Ų | 85.9 | 41% | 0.412 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.8 | -34.2 | -178.8 | -54.7 | -33.1 | 0 | 0 | 0 | 111.3 | I339 S340 A345 Q346 | I339-D343 HydrophobicContact CG2-CB 3.51Å; S340-D343 WeakPolarHBondContact CB-OD2 3.41Å; S340-D343 PolarHBondContact O-N 3.44Å; S340-D343 VanDerWaalsContact O-N 3.07Å; S340-D343 PolarHBondContact OG-N 3.05Å; S340-D343 PolarHBondContact OG-OD1 3.34Å; S340-D343 PolarHBondContact OG-OD2 3.2Å; D343-A345 PolarHBondContact O-N 3.3Å; D343-Q346 WeakPolarHBondContact O-CB 3.45Å; D343-Q346 PolarHBondContact O-N 3.37Å |
| 344 | K | 79.2 | Confident | 83.9 | Confident | 109 Ų | 109 | 83.2 Ų | 83.2 | 47% | 0.474 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.5 | -27.8 | 172.1 | -68 | -179 | -159.5 | 139 | 0 | 113.5 | I339 S340 D341 Q346 | I339-K344 HydrophobicContact CB-CG 4.22Å; I339-K344 HydrophobicContact CG2-CG 3.83Å; I339-K344 WeakPolarHBondContact O-CE 3.32Å; I339-K344 PolarHBondContact O-NZ 3.01Å; S340-K344 PolarHBondContact O-N 3.21Å; D341-K344 IonicContact OD1-NZ 2.64Å; D341-K344 PolarHBondContact OD1-NZ 2.76Å; K344-Q346 VanDerWaalsContact C-N 3.34Å |
| 345 | A | 79.9 | Confident | 84.6 | Confident | 3 Ų | 3 | 79.9 Ų | 79.9 | 3% | 0.025 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -85.3 | -9.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T309 D310 D341 K342 D343 H347 | T309-A345 CarbonylContact C-O 3.55Å; T309-A345 WeakPolarHBondContact CA-O 3.43Å; T309-A345 HydrophobicContact CG2-CB 3.91Å; D310-A345 PolarHBondContact N-O 2.57Å; D341-A345 WeakPolarHBondContact O-CB 3.25Å; D341-A345 PolarHBondContact O-N 2.96Å; K342-A345 PolarHBondContact O-N 3.5Å; K342-A345 VanDerWaalsContact O-N 3.17Å; D343-A345 PolarHBondContact O-N 3.3Å; A345-H347 PolarHBondContact O-N 3.07Å |
| 346 | Q | 83.8 | Confident | 85.2 | Confident | 119 Ų | 119 | 73.1 Ų | 73.1 | 56% | 0.556 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 132.6 | 171.4 | -71.2 | -178 | -23.1 | 0 | 0 | 109.6 | K342 D343 K344 | K342-Q346 PolarHBondContact O-N 3.44Å; D343-Q346 WeakPolarHBondContact O-CB 3.45Å; D343-Q346 PolarHBondContact O-N 3.37Å; K344-Q346 VanDerWaalsContact C-N 3.34Å |
| 347 | H | 87.6 | Confident | 85.6 | Confident | 21 Ų | 21 | 72.5 Ų | 72.5 | 10% | 0.097 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.1 | 176.7 | -179 | 78.1 | 0 | 0 | 0 | 109 | T308 A345 N349 K626 K629 I631 | T308-H347 HydrophobicContact CG2-CB 4.29Å; T308-H347 PolarHBondContact N-O 2.77Å; T308-H347 PolarHBondContact O-N 3.42Å; A345-H347 PolarHBondContact O-N 3.07Å; H347-N349 PolarHBondContact CD2-OD1 3.33Å; H347-N349 PolarHBondContact NE2-OD1 3.45Å; H347-K626 PolarHBondContact CE1-O 2.86Å; H347-K629 PolarHBondContact CE1-O 3.16Å; H347-K629 PolarHBondContact NE2-O 2.99Å; H347-I631 HydrophobicContact CB-CD1 3.86Å |
| 348 | T | 88.2 | Confident | 86.1 | Confident | 82 Ų | 82 | 69.9 Ų | 69.9 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 110.5 | 176.1 | -57 | 0 | 0 | 0 | 0 | 108.7 | K306 K350 | K306-T348 CarbonylContact O-C 3.47Å; K306-T348 WeakPolarHBondContact O-CA 3.23Å; T348-K350 PolarHBondContact O-N 2.99Å |
| 349 | N | 91.1 | Very high | 86.6 | Confident | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | trans | -69 | 124.8 | 174.5 | -74.4 | -32.3 | 0 | 0 | 0 | 110 | S305 K306 H347 I351 K629 I630 I631 | S305-N349 PolarHBondContact O-ND2 3.45Å; K306-N349 PolarHBondContact O-N 3.25Å; H347-N349 PolarHBondContact CD2-OD1 3.33Å; H347-N349 PolarHBondContact NE2-OD1 3.45Å; N349-I351 HydrophobicContact CB-CG1 4Å; N349-I351 PolarHBondContact O-N 3.34Å; N349-K629 PolarHBondContact OD1-O 3.31Å; N349-I630 HydrophobicContact CB-CG2 4.41Å; N349-I630 VanDerWaalsContact OD1-CA 3.32Å; N349-I630 WeakPolarHBondContact OD1-CA 3.4Å; N349-I631 PolarHBondContact ND2-O 3.03Å; N349-I631 PolarHBondContact OD1-N 3.08Å | ||
| 350 | K | 89.7 | Confident | 87 | Confident | 126 Ų | 126 | 59.4 Ų | 59.4 | 55% | 0.548 | 30% | 0.296 | S | S | . | . | trans | -81.1 | 69.8 | 172.2 | -62 | 179.4 | -174.6 | 172.4 | 0 | 109.9 | T348 N352 D628 | T348-K350 PolarHBondContact O-N 2.99Å; K350-N352 PolarHBondContact O-N 3.45Å; K350-D628 IonicContact NZ-OD1 2.77Å; K350-D628 PolarHBondContact NZ-OD1 3.49Å | ||
| 351 | I | 90.2 | Very high | 87.6 | Confident | 16 Ų | 16 | 63.1 Ų | 63.1 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | trans | -67.6 | 119.2 | 174.8 | -55.4 | 176.4 | 0 | 0 | 0 | 107.1 | I304 K306 N349 Y355 V356 I596 P597 I600 | I304-I351 HydrophobicContact CG2-CD1 4.22Å; K306-I351 HydrophobicContact CB-CD1 4.47Å; N349-I351 HydrophobicContact CB-CG1 4Å; N349-I351 PolarHBondContact O-N 3.34Å; I351-Y355 HydrophobicContact CG2-CD1 4.28Å; I351-V356 HydrophobicContact CG2-CG2 4.15Å; I351-I596 HydrophobicContact CB-CG2 4.04Å; I351-I596 HydrophobicContact CG2-CG2 3.78Å; I351-I596 WeakPolarHBondContact O-CD1 3.48Å; I351-I596 WeakPolarHBondContact O-CG2 3.49Å; I351-P597 HydrophobicContact CG2-CG 4.36Å; I351-I600 HydrophobicContact CG2-CD1 4.14Å | ||
| 352 | N | 90.5 | Very high | 88.3 | Confident | 55 Ų | 55 | 60.3 Ų | 60.3 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | trans | -121.2 | 173.1 | 175.6 | 70.8 | -9.1 | 0 | 0 | 0 | 110.2 | K350 D354 Y355 V356 | K350-N352 PolarHBondContact O-N 3.45Å; N352-D354 VanDerWaalsContact C-N 3.3Å; N352-D354 PolarHBondContact ND2-OD2 3.06Å; N352-D354 PolarHBondContact O-N 2.81Å; N352-D354 PolarHBondContact OD1-N 2.6Å; N352-Y355 PolarHBondContact O-N 3.49Å; N352-Y355 VanDerWaalsContact O-N 3.16Å; N352-Y355 WeakPolarHBondContact OD1-CB 3.01Å; N352-Y355 PolarHBondContact OD1-N 3.34Å; N352-V356 PolarHBondContact O-N 3.43Å; N352-V356 VanDerWaalsContact O-N 3.08Å | ||
| 353 | Q | 89.7 | Confident | 89.1 | Confident | 76 Ų | 76 | 56.5 Ų | 56.5 | 36% | 0.355 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 178.2 | -170.6 | 60.6 | 46.5 | 0 | 0 | 111.8 | Y355 V356 D357 | Q353-Y355 PolarHBondContact O-N 3.15Å; Q353-V356 WeakPolarHBondContact O-CB 3.34Å; Q353-V356 PolarHBondContact O-N 3.31Å; Q353-D357 PolarHBondContact NE2-OD1 3.21Å; Q353-D357 VanDerWaalsContact O-CG 3.28Å; Q353-D357 PolarHBondContact O-N 3.39Å |
| 354 | D | 92 | Very high | 89.6 | Confident | 108 Ų | 108 | 54.9 Ų | 54.9 | 58% | 0.578 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -55.8 | -38 | 176.4 | -52.7 | -23.9 | 0 | 0 | 0 | 112.3 | N352 Y358 | N352-D354 VanDerWaalsContact C-N 3.3Å; N352-D354 PolarHBondContact ND2-OD2 3.06Å; N352-D354 PolarHBondContact O-N 2.81Å; N352-D354 PolarHBondContact OD1-N 2.6Å; D354-Y358 WeakPolarHBondContact O-CB 3.4Å; D354-Y358 PolarHBondContact O-N 2.91Å |
| 355 | Y | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -74.4 | -38.1 | 176.6 | -172.8 | -112.8 | 0 | 0 | 0 | 112.3 | I304 I351 N352 Q353 D357 Y358 I359 I600 Y620 I630 | I304-Y355 HydrophobicContact CD1-CE1 4.03Å; I304-Y355 WeakPolarHBondContact CD1-OH 3.49Å; I304-Y355 HydrophobicContact CG2-CE1 4.13Å; I351-Y355 HydrophobicContact CG2-CD1 4.28Å; N352-Y355 PolarHBondContact O-N 3.49Å; N352-Y355 VanDerWaalsContact O-N 3.16Å; N352-Y355 WeakPolarHBondContact OD1-CB 3.01Å; N352-Y355 PolarHBondContact OD1-N 3.34Å; Q353-Y355 PolarHBondContact O-N 3.15Å; Y355-D357 VanDerWaalsContact C-N 3.28Å; Y355-D357 PolarHBondContact O-N 2.95Å; Y355-Y358 HydrophobicContact CD2-CD1 4.08Å; Y355-Y358 HydrophobicContact CE2-CD1 4.01Å; Y355-Y358 WeakPolarHBondContact O-CB 3.32Å; Y355-Y358 PolarHBondContact O-N 2.88Å; Y355-I359 HydrophobicContact CD1-CG1 4.21Å; Y355-I359 HydrophobicContact CE1-CD1 4.14Å; Y355-I359 HydrophobicContact CE1-CG1 3.89Å; Y355-I359 HydrophobicContact CE2-CD1 4.06Å; Y355-I359 HydrophobicContact CE2-CG1 4.39Å; Y355-I359 WeakPolarHBondContact O-CG1 3.45Å; Y355-I359 PolarHBondContact O-N 2.81Å; Y355-I600 HydrophobicContact CD1-CD1 4.13Å; Y355-I600 HydrophobicContact CE1-CD1 4.1Å; Y355-Y620 AromaticContact CD2-CD1 3.5Å; Y355-Y620 HydrophobicContact CD2-CD1 3.5Å; Y355-Y620 AromaticContact CD2-CD2 3.98Å; Y355-Y620 HydrophobicContact CD2-CD2 3.98Å; Y355-Y620 AromaticContact CD2-CE1 3.29Å; Y355-Y620 HydrophobicContact CD2-CE1 3.29Å; Y355-Y620 AromaticContact CD2-CE2 3.84Å; Y355-Y620 HydrophobicContact CD2-CE2 3.84Å; Y355-Y620 AromaticContact CD2-CG 3.85Å; Y355-Y620 HydrophobicContact CD2-CG 3.85Å; Y355-Y620 AromaticContact CD2-CZ 3.51Å; Y355-Y620 AromaticContact CE2-CD1 3.56Å; Y355-Y620 HydrophobicContact CE2-CD1 3.56Å; Y355-Y620 HydrophobicContact CE2-CD2 4.38Å; Y355-Y620 AromaticContact CE2-CE1 3.84Å; Y355-Y620 HydrophobicContact CE2-CE1 3.84Å; Y355-Y620 AromaticContact CE2-CG 3.86Å; Y355-Y620 HydrophobicContact CE2-CG 3.86Å; Y355-Y620 HydrophobicContact CG-CE1 4.08Å; Y355-I630 HydrophobicContact CD1-CD1 3.48Å; Y355-I630 VanDerWaalsContact CD1-CD1 3.48Å; Y355-I630 HydrophobicContact CD2-CD1 3.43Å; Y355-I630 VanDerWaalsContact CD2-CD1 3.43Å; Y355-I630 HydrophobicContact CE1-CD1 3.63Å; Y355-I630 HydrophobicContact CE1-CG2 3.81Å; Y355-I630 HydrophobicContact CE2-CB 4.5Å; Y355-I630 HydrophobicContact CE2-CD1 3.58Å; Y355-I630 HydrophobicContact CE2-CG2 4.44Å; Y355-I630 HydrophobicContact CG-CD1 3.33Å; Y355-I630 WeakPolarHBondContact OH-CG2 3.49Å |
| 356 | V | 91.8 | Very high | 90.6 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 173.6 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | I351 N352 Q353 I359 N360 F372 P597 I600 | I351-V356 HydrophobicContact CG2-CG2 4.15Å; N352-V356 PolarHBondContact O-N 3.43Å; N352-V356 VanDerWaalsContact O-N 3.08Å; Q353-V356 WeakPolarHBondContact O-CB 3.34Å; Q353-V356 PolarHBondContact O-N 3.31Å; V356-I359 PolarHBondContact O-N 2.8Å; V356-N360 PolarHBondContact O-N 2.73Å; V356-N360 PolarHBondContact O-ND2 3.12Å; V356-N360 VanDerWaalsContact O-ND2 3.15Å; V356-F372 HydrophobicContact CG1-CD1 4.47Å; V356-F372 HydrophobicContact CG1-CE1 3.89Å; V356-F372 HydrophobicContact CG1-CZ 4.2Å; V356-P597 HydrophobicContact CG2-CG 3.88Å; V356-I600 HydrophobicContact CG2-CD1 4.47Å |
| 357 | D | 91.8 | Very high | 91 | Very high | 75 Ų | 75 | 52.7 Ų | 52.7 | 40% | 0.401 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 176.2 | -62.8 | -17.1 | 0 | 0 | 0 | 110.9 | Q353 Y355 I359 N360 D361 | Q353-D357 PolarHBondContact NE2-OD1 3.21Å; Q353-D357 VanDerWaalsContact O-CG 3.28Å; Q353-D357 PolarHBondContact O-N 3.39Å; Y355-D357 VanDerWaalsContact C-N 3.28Å; Y355-D357 PolarHBondContact O-N 2.95Å; D357-I359 VanDerWaalsContact C-N 3.29Å; D357-I359 PolarHBondContact O-N 3.37Å; D357-N360 PolarHBondContact O-N 2.8Å; D357-N360 VanDerWaalsContact O-N 3.09Å; D357-D361 PolarHBondContact O-N 2.97Å; D357-D361 VanDerWaalsContact O-N 3.09Å |
| 358 | Y | 94 | Very high | 91.1 | Very high | 48 Ų | 48 | 51.8 Ų | 51.8 | 19% | 0.188 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.5 | -40.1 | 172.5 | -176.8 | -103.9 | 0 | 0 | 0 | 112.8 | D354 Y355 D361 Y616 Y620 | D354-Y358 WeakPolarHBondContact O-CB 3.4Å; D354-Y358 PolarHBondContact O-N 2.91Å; Y355-Y358 HydrophobicContact CD2-CD1 4.08Å; Y355-Y358 HydrophobicContact CE2-CD1 4.01Å; Y355-Y358 WeakPolarHBondContact O-CB 3.32Å; Y355-Y358 PolarHBondContact O-N 2.88Å; Y358-D361 PolarHBondContact O-N 3.32Å; Y358-Y616 AromaticContact CD1-CE1 3.77Å; Y358-Y616 HydrophobicContact CD1-CE1 3.77Å; Y358-Y616 HydrophobicContact CD2-CE1 4.43Å; Y358-Y616 WeakPolarHBondContact CD2-OH 3.49Å; Y358-Y616 AromaticContact CE1-CD1 3.72Å; Y358-Y616 HydrophobicContact CE1-CD1 3.72Å; Y358-Y616 AromaticContact CE1-CE1 3.21Å; Y358-Y616 HydrophobicContact CE1-CE1 3.21Å; Y358-Y616 AromaticContact CE1-CZ 3.69Å; Y358-Y616 AromaticContact CE2-CE1 3.97Å; Y358-Y616 HydrophobicContact CE2-CE1 3.97Å; Y358-Y616 AromaticContact CE2-CE2 3.99Å; Y358-Y616 HydrophobicContact CE2-CE2 3.99Å; Y358-Y616 AromaticContact CE2-CZ 3.49Å; Y358-Y616 VanDerWaalsContact CE2-CZ 3.49Å; Y358-Y616 VanDerWaalsContact CE2-OH 3.29Å; Y358-Y616 WeakPolarHBondContact CE2-OH 3.44Å; Y358-Y616 HydrophobicContact CG-CE1 4.35Å; Y358-Y616 AromaticContact CZ-CD1 3.85Å; Y358-Y616 AromaticContact CZ-CE1 3.32Å; Y358-Y616 AromaticContact CZ-CE2 3.78Å; Y358-Y616 AromaticContact CZ-CZ 3.28Å; Y358-Y616 PolarHBondContact O-OH 2.92Å; Y358-Y616 PolarHBondContact OH-O 3.12Å; Y358-Y620 AromaticContact CD1-CD2 3.72Å; Y358-Y620 HydrophobicContact CD1-CD2 3.72Å; Y358-Y620 HydrophobicContact CD1-CE2 4.45Å; Y358-Y620 HydrophobicContact CD1-CG 4.12Å; Y358-Y620 HydrophobicContact CD2-CD2 4.12Å; Y358-Y620 AromaticContact CE1-CD2 3.93Å; Y358-Y620 HydrophobicContact CE1-CD2 3.93Å; Y358-Y620 HydrophobicContact CE1-CG 4.07Å; Y358-Y620 HydrophobicContact CE2-CD2 4.32Å; Y358-Y620 AromaticContact CG-CD2 3.81Å; Y358-Y620 HydrophobicContact CG-CD2 3.81Å; Y358-Y620 HydrophobicContact CG-CE2 4.27Å |
| 359 | I | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.7 | -36.9 | 175.8 | -65.6 | -50.2 | 0 | 0 | 0 | 112 | I304 Y355 V356 D357 D361 I362 I370 F372 I600 I602 L617 | I304-I359 HydrophobicContact CD1-CD1 4.28Å; Y355-I359 HydrophobicContact CD1-CG1 4.21Å; Y355-I359 HydrophobicContact CE1-CD1 4.14Å; Y355-I359 HydrophobicContact CE1-CG1 3.89Å; Y355-I359 HydrophobicContact CE2-CD1 4.06Å; Y355-I359 HydrophobicContact CE2-CG1 4.39Å; Y355-I359 WeakPolarHBondContact O-CG1 3.45Å; Y355-I359 PolarHBondContact O-N 2.81Å; V356-I359 PolarHBondContact O-N 2.8Å; D357-I359 VanDerWaalsContact C-N 3.29Å; D357-I359 PolarHBondContact O-N 3.37Å; I359-D361 PolarHBondContact O-N 3.02Å; I359-I362 HydrophobicContact CD1-CD1 4.19Å; I359-I362 HydrophobicContact CG2-CD1 4.09Å; I359-I362 WeakPolarHBondContact O-CB 3.28Å; I359-I362 WeakPolarHBondContact O-CD1 3.28Å; I359-I362 VanDerWaalsContact O-CG1 3.25Å; I359-I362 WeakPolarHBondContact O-CG1 3.41Å; I359-I362 PolarHBondContact O-N 2.81Å; I359-I370 HydrophobicContact CG2-CD1 3.78Å; I359-I370 HydrophobicContact CG2-CG2 3.85Å; I359-I370 VanDerWaalsContact O-CD1 3.25Å; I359-I370 WeakPolarHBondContact O-CD1 3.36Å; I359-F372 HydrophobicContact CG2-CE1 4.44Å; I359-F372 HydrophobicContact CG2-CZ 4.24Å; I359-I600 HydrophobicContact CG1-CD1 4.35Å; I359-I600 HydrophobicContact CG2-CG2 3.97Å; I359-I602 HydrophobicContact CD1-CD1 3.93Å; I359-I602 HydrophobicContact CG2-CD1 4.23Å; I359-I602 HydrophobicContact CG2-CG1 4.17Å; I359-L617 HydrophobicContact CD1-CD2 3.38Å |
| 360 | N | 90.1 | Very high | 91.2 | Very high | 58 Ų | 58 | 48.4 Ų | 48.4 | 31% | 0.31 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.1 | -23.7 | 176.6 | -74.7 | -42.9 | 0 | 0 | 0 | 113 | V356 D357 I362 F372 | V356-N360 PolarHBondContact O-N 2.73Å; V356-N360 PolarHBondContact O-ND2 3.12Å; V356-N360 VanDerWaalsContact O-ND2 3.15Å; D357-N360 PolarHBondContact O-N 2.8Å; D357-N360 VanDerWaalsContact O-N 3.09Å; N360-I362 VanDerWaalsContact C-N 3.29Å; N360-I362 PolarHBondContact O-N 3.39Å; N360-F372 VanDerWaalsContact OD1-CE2 3.26Å; N360-F372 WeakPolarHBondContact OD1-CE2 3.2Å; N360-F372 VanDerWaalsContact OD1-CZ 3.27Å; N360-F372 WeakPolarHBondContact OD1-CZ 3.37Å |
| 361 | D | 92 | Very high | 91.2 | Very high | 129 Ų | 129 | 42.4 Ų | 42.4 | 69% | 0.69 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 3.7 | 176.9 | -79.3 | -5.6 | 0 | 0 | 0 | 114.1 | D357 Y358 I359 D363 | D357-D361 PolarHBondContact O-N 2.97Å; D357-D361 VanDerWaalsContact O-N 3.09Å; Y358-D361 PolarHBondContact O-N 3.32Å; I359-D361 PolarHBondContact O-N 3.02Å; D361-D363 PolarHBondContact O-N 3.13Å |
| 362 | I | 92.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -59.1 | 135.1 | 172.7 | -70.8 | 173.3 | 0 | 0 | 0 | 109.7 | I359 N360 P364 L366 I370 I602 Y616 | I359-I362 HydrophobicContact CD1-CD1 4.19Å; I359-I362 HydrophobicContact CG2-CD1 4.09Å; I359-I362 WeakPolarHBondContact O-CB 3.28Å; I359-I362 WeakPolarHBondContact O-CD1 3.28Å; I359-I362 VanDerWaalsContact O-CG1 3.25Å; I359-I362 WeakPolarHBondContact O-CG1 3.41Å; I359-I362 PolarHBondContact O-N 2.81Å; N360-I362 VanDerWaalsContact C-N 3.29Å; N360-I362 PolarHBondContact O-N 3.39Å; I362-P364 VanDerWaalsContact O-CD 3.28Å; I362-P364 WeakPolarHBondContact O-CD 3.01Å; I362-P364 VanDerWaalsContact O-N 3.16Å; I362-L366 HydrophobicContact CG2-CB 4.49Å; I362-I370 HydrophobicContact CB-CD1 4.42Å; I362-I370 HydrophobicContact CD1-CD1 4.29Å; I362-I602 HydrophobicContact CD1-CD1 3.9Å; I362-I602 HydrophobicContact CD1-CG1 4.37Å; I362-I602 HydrophobicContact CD1-CG2 4.09Å; I362-Y616 HydrophobicContact CD1-CD1 4.32Å; I362-Y616 HydrophobicContact CD1-CE1 4.25Å; I362-Y616 HydrophobicContact CG1-CD1 3.8Å; I362-Y616 HydrophobicContact CG1-CE1 3.46Å; I362-Y616 VanDerWaalsContact CG1-CE1 3.46Å |
| 363 | D | 91.5 | Very high | 91.2 | Very high | 74 Ų | 74 | 40.5 Ų | 40.5 | 40% | 0.396 | 21% | 0.206 | S | C | . | . | trans | -55.8 | 120.7 | 176.6 | -175.3 | -11.8 | 0 | 0 | 0 | 110 | D361 K365 L366 S367 | D361-D363 PolarHBondContact O-N 3.13Å; D363-K365 PolarHBondContact O-N 3.24Å; D363-K365 VanDerWaalsContact OD1-CB 3.31Å; D363-K365 WeakPolarHBondContact OD1-CB 3.36Å; D363-K365 WeakPolarHBondContact OD1-CG 3.4Å; D363-K365 PolarHBondContact OD1-N 3.05Å; D363-L366 HydrophobicContact CB-CD1 4.17Å; D363-L366 HydrophobicContact CB-CG 4.09Å; D363-L366 WeakPolarHBondContact O-CA 3.4Å; D363-L366 WeakPolarHBondContact O-CB 3.39Å; D363-L366 PolarHBondContact O-N 3.09Å; D363-S367 PolarHBondContact O-N 3.1Å | ||
| 364 | P | 90.1 | Very high | 91.1 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 29% | 0.286 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -23.3 | 177.1 | -26.6 | 35.3 | 0 | 0 | 0 | 113.7 | I362 L366 S367 N368 L423 D424 N605 | I362-P364 VanDerWaalsContact O-CD 3.28Å; I362-P364 WeakPolarHBondContact O-CD 3.01Å; I362-P364 VanDerWaalsContact O-N 3.16Å; P364-L366 VanDerWaalsContact C-N 3.26Å; P364-L366 PolarHBondContact O-N 3.36Å; P364-S367 CarbonylContact O-C 3.55Å; P364-N368 PolarHBondContact O-N 2.98Å; P364-L423 HydrophobicContact CB-CB 4.4Å; P364-L423 HydrophobicContact CG-CB 4.1Å; P364-L423 HydrophobicContact CG-CD1 4.46Å; P364-D424 HydrophobicContact CB-CB 3.99Å; P364-D424 HydrophobicContact CG-CB 4.38Å; P364-N605 PolarHBondContact O-ND2 3.33Å; P364-N605 VanDerWaalsContact O-ND2 3.08Å |
| 365 | K | 89.8 | Confident | 90.7 | Very high | 161 Ų | 161 | 37.1 Ų | 37.1 | 70% | 0.7 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -25.8 | 173.1 | -65.4 | 177.1 | -178.8 | 171.4 | 0 | 113.3 | D363 N605 | D363-K365 PolarHBondContact O-N 3.24Å; D363-K365 VanDerWaalsContact OD1-CB 3.31Å; D363-K365 WeakPolarHBondContact OD1-CB 3.36Å; D363-K365 WeakPolarHBondContact OD1-CG 3.4Å; D363-K365 PolarHBondContact OD1-N 3.05Å; K365-N605 PolarHBondContact O-ND2 3.39Å |
| 366 | L | 90.5 | Very high | 90.6 | Very high | 24 Ų | 24 | 38 Ų | 38 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -45.1 | 175.6 | -59.1 | 178.3 | 0 | 0 | 0 | 111.4 | I362 D363 P364 N605 D609 Q612 I613 | I362-L366 HydrophobicContact CG2-CB 4.49Å; D363-L366 HydrophobicContact CB-CD1 4.17Å; D363-L366 HydrophobicContact CB-CG 4.09Å; D363-L366 WeakPolarHBondContact O-CA 3.4Å; D363-L366 WeakPolarHBondContact O-CB 3.39Å; D363-L366 PolarHBondContact O-N 3.09Å; P364-L366 VanDerWaalsContact C-N 3.26Å; P364-L366 PolarHBondContact O-N 3.36Å; L366-N605 PolarHBondContact O-N 3.48Å; L366-D609 HydrophobicContact CB-CB 4.32Å; L366-D609 HydrophobicContact CD2-CB 3.93Å; L366-Q612 HydrophobicContact CD1-CB 4.09Å; L366-Q612 HydrophobicContact CD2-CB 4.03Å; L366-I613 HydrophobicContact CB-CD1 4.19Å; L366-I613 HydrophobicContact CB-CG1 3.91Å |
| 367 | S | 90.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -148.8 | 104.2 | -179.9 | 168.2 | 0 | 0 | 0 | 0 | 110.2 | D363 P364 N369 L423 I602 Y603 | D363-S367 PolarHBondContact O-N 3.1Å; P364-S367 CarbonylContact O-C 3.55Å; S367-N369 PolarHBondContact OG-O 3.16Å; S367-L423 WeakPolarHBondContact O-CD1 3.48Å; S367-I602 WeakPolarHBondContact OG-CG2 3.37Å; S367-Y603 PolarHBondContact OG-O 3.16Å; S367-Y603 VanDerWaalsContact OG-O 3.11Å | ||
| 368 | N | 90 | Very high | 90.4 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -82.2 | -17.6 | 177.7 | -167.2 | 38.4 | 0 | 0 | 0 | 113.6 | P364 Q422 L423 D424 S427 G428 N605 | P364-N368 PolarHBondContact O-N 2.98Å; N368-Q422 WeakPolarHBondContact O-CA 3.35Å; N368-L423 PolarHBondContact O-N 2.93Å; N368-D424 PolarHBondContact ND2-O 3.23Å; N368-D424 WeakPolarHBondContact OD1-CA 3.33Å; N368-D424 WeakPolarHBondContact OD1-CB 3.34Å; N368-D424 PolarHBondContact OD1-N 2.9Å; N368-D424 PolarHBondContact OD1-O 3.5Å; N368-S427 PolarHBondContact ND2-O 3.21Å; N368-G428 PolarHBondContact ND2-O 3.44Å; N368-N605 PolarHBondContact N-OD1 3.19Å |
| 369 | N | 90 | Very high | 90.4 | Very high | 15 Ų | 15 | 34.3 Ų | 34.3 | 8% | 0.08 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 123.8 | -175.3 | -59.4 | -82.2 | 0 | 0 | 0 | 110 | S367 P420 T421 F430 Y603 | S367-N369 PolarHBondContact OG-O 3.16Å; N369-P420 HydrophobicContact CB-CB 4.13Å; N369-P420 HydrophobicContact CB-CG 3.93Å; N369-T421 WeakPolarHBondContact CA-O 3.33Å; N369-F430 WeakPolarHBondContact OD1-CB 3.28Å; N369-F430 PolarHBondContact OD1-N 3.32Å; N369-Y603 HydrophobicContact CB-CD2 4.32Å; N369-Y603 HydrophobicContact CB-CG 4.36Å; N369-Y603 WeakPolarHBondContact O-CB 3.35Å; N369-Y603 VanDerWaalsContact O-CD2 3.28Å; N369-Y603 WeakPolarHBondContact O-CD2 3.45Å; N369-Y603 PolarHBondContact O-N 2.81Å; N369-Y603 VanDerWaalsContact O-N 3.15Å |
| 370 | I | 91.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 129.3 | 176.8 | -56.6 | -172.8 | 0 | 0 | 0 | 109.4 | I359 I362 F372 P420 T421 L423 N547 I600 M601 | I359-I370 HydrophobicContact CG2-CD1 3.78Å; I359-I370 HydrophobicContact CG2-CG2 3.85Å; I359-I370 VanDerWaalsContact O-CD1 3.25Å; I359-I370 WeakPolarHBondContact O-CD1 3.36Å; I362-I370 HydrophobicContact CB-CD1 4.42Å; I362-I370 HydrophobicContact CD1-CD1 4.29Å; I370-F372 HydrophobicContact CB-CE2 4.39Å; I370-F372 HydrophobicContact CG2-CD2 4.35Å; I370-F372 HydrophobicContact CG2-CE1 4.22Å; I370-F372 HydrophobicContact CG2-CE2 3.7Å; I370-F372 HydrophobicContact CG2-CZ 3.63Å; I370-P420 CarbonylContact O-C 3.19Å; I370-P420 WeakPolarHBondContact O-CA 3.29Å; I370-P420 WeakPolarHBondContact O-CB 3.11Å; I370-T421 PolarHBondContact N-O 3.34Å; I370-T421 PolarHBondContact O-N 2.92Å; I370-T421 PolarHBondContact O-OG1 2.94Å; I370-L423 HydrophobicContact CD1-CD1 3.74Å; I370-L423 HydrophobicContact CD1-CD2 4.3Å; I370-L423 HydrophobicContact CD1-CG 4.27Å; I370-L423 HydrophobicContact CG1-CD1 4.23Å; I370-L423 HydrophobicContact CG1-CG 4.4Å; I370-N547 PolarHBondContact O-ND2 3.02Å; I370-I600 HydrophobicContact CG2-CG2 4.15Å; I370-M601 CarbonylContact C-O 3.55Å; I370-M601 WeakPolarHBondContact CA-O 3.41Å |
| 371 | G | 90.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 122.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I600 M601 | G371-I600 CarbonylContact O-C 3.57Å; G371-I600 WeakPolarHBondContact O-CA 3.4Å; G371-M601 PolarHBondContact N-O 3.27Å; G371-M601 PolarHBondContact O-N 3.16Å |
| 372 | F | 90.8 | Very high | 90.9 | Very high | 8 Ų | 8 | 27 Ų | 27 | 4% | 0.035 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 107.8 | 172 | -63.3 | -75.3 | 0 | 0 | 0 | 109.4 | V356 I359 N360 I370 P597 I600 | V356-F372 HydrophobicContact CG1-CD1 4.47Å; V356-F372 HydrophobicContact CG1-CE1 3.89Å; V356-F372 HydrophobicContact CG1-CZ 4.2Å; I359-F372 HydrophobicContact CG2-CE1 4.44Å; I359-F372 HydrophobicContact CG2-CZ 4.24Å; N360-F372 VanDerWaalsContact OD1-CE2 3.26Å; N360-F372 WeakPolarHBondContact OD1-CE2 3.2Å; N360-F372 VanDerWaalsContact OD1-CZ 3.27Å; N360-F372 WeakPolarHBondContact OD1-CZ 3.37Å; I370-F372 HydrophobicContact CB-CE2 4.39Å; I370-F372 HydrophobicContact CG2-CD2 4.35Å; I370-F372 HydrophobicContact CG2-CE1 4.22Å; I370-F372 HydrophobicContact CG2-CE2 3.7Å; I370-F372 HydrophobicContact CG2-CZ 3.63Å; F372-P597 HydrophobicContact CB-CB 4.21Å; F372-P597 HydrophobicContact CD1-CB 4.2Å; F372-P597 HydrophobicContact CD1-CG 3.91Å; F372-I600 HydrophobicContact CD1-CB 4.48Å; F372-I600 HydrophobicContact CD1-CD1 4.43Å; F372-I600 HydrophobicContact CD1-CG1 3.98Å; F372-I600 HydrophobicContact CD1-CG2 4.05Å; F372-I600 HydrophobicContact CE1-CD1 4.15Å; F372-I600 HydrophobicContact CE1-CG1 4.13Å; F372-I600 HydrophobicContact CE1-CG2 3.79Å |
| 373 | T | 88.7 | Confident | 91 | Very high | 22 Ų | 22 | 29.1 Ų | 29.1 | 14% | 0.135 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 121.5 | 176 | -51.3 | 0 | 0 | 0 | 0 | 108.7 | P597 S598 S599 M601 | T373-P597 CarbonylContact O-C 3.59Å; T373-P597 VanDerWaalsContact O-CA 3.32Å; T373-P597 WeakPolarHBondContact O-CA 3.29Å; T373-P597 WeakPolarHBondContact O-CB 3.47Å; T373-S598 PolarHBondContact O-N 3.41Å; T373-S598 PolarHBondContact O-OG 2.9Å; T373-S599 PolarHBondContact N-O 3.48Å; T373-S599 PolarHBondContact O-N 3.24Å; T373-M601 WeakPolarHBondContact OG1-CE 3.42Å |
| 374 | R | 88.6 | Confident | 91 | Very high | 34 Ų | 34 | 27.4 Ų | 27.4 | 13% | 0.128 | 14% | 0.141 | C | C | . | . | trans | -115.5 | 137 | 174.4 | -68.1 | -178 | -179.8 | 83.8 | -1.7 | 109.6 | V376 S551 S595 P597 | R374-V376 VanDerWaalsContact C-N 3.27Å; R374-V376 PolarHBondContact O-N 3.22Å; R374-V376 VanDerWaalsContact O-N 3.11Å; R374-S551 PolarHBondContact NH1-OG 3.33Å; R374-S595 PolarHBondContact NE-O 2.77Å; R374-S595 PolarHBondContact NH2-O 3.03Å; R374-P597 HydrophobicContact CG-CB 4.39Å | ||
| 375 | V | 83.5 | Confident | 90.9 | Very high | 80 Ų | 80 | 33.6 Ų | 33.6 | 49% | 0.485 | 17% | 0.172 | S | C | . | . | trans | -85.2 | 78.5 | 172.7 | -174.8 | 0 | 0 | 0 | 0 | 106.8 | A589 Y590 | V375-A589 CarbonylContact O-C 3.56Å; V375-Y590 WeakPolarHBondContact O-CA 3.31Å; V375-Y590 PolarHBondContact O-N 3.38Å; V375-Y590 VanDerWaalsContact O-N 3.09Å | ||
| 376 | V | 89.9 | Confident | 90.9 | Very high | 17 Ų | 17 | 28.4 Ų | 28.4 | 10% | 0.103 | 17% | 0.165 | C | C | . | . | trans | -116.9 | 129.7 | 177.1 | 66.8 | 0 | 0 | 0 | 0 | 109.5 | R374 T550 I553 V554 | R374-V376 VanDerWaalsContact C-N 3.27Å; R374-V376 PolarHBondContact O-N 3.22Å; R374-V376 VanDerWaalsContact O-N 3.11Å; V376-T550 HydrophobicContact CG1-CG2 3.98Å; V376-I553 HydrophobicContact CG1-CG2 4.43Å; V376-I553 HydrophobicContact CG2-CB 4.32Å; V376-I553 HydrophobicContact CG2-CG2 3.52Å; V376-V554 HydrophobicContact CB-CG2 4.18Å; V376-V554 HydrophobicContact CG2-CG2 4.02Å | ||
| 377 | G | 88.7 | Confident | 91 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 10% | 0.103 | 18% | 0.181 | C | C | . | . | trans | -68.3 | 138.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y590 | G377-Y590 VanDerWaalsContact CA-CE2 3.48Å; G377-Y590 PolarHBondContact N-O 3.27Å | ||
| 378 | M | 91.3 | Very high | 91.1 | Very high | 30 Ų | 30 | 31.9 Ų | 31.9 | 15% | 0.148 | 18% | 0.183 | C | C | . | . | trans | -111 | 110.9 | 174.1 | -54.4 | -168.9 | -179.8 | 0 | 0 | 108.6 | L380 L393 L489 Y545 L549 T550 I553 | M378-L380 HydrophobicContact CB-CD1 4.13Å; M378-L380 HydrophobicContact CB-CD2 4.14Å; M378-L380 HydrophobicContact CB-CG 3.86Å; M378-L380 PolarHBondContact O-N 3.45Å; M378-L393 HydrophobicContact SD-CD1 3.84Å; M378-L393 HydrophobicContact SD-CG 4.47Å; M378-L489 HydrophobicContact CB-CD1 4.42Å; M378-Y545 HydrophobicContact CE-CD1 4.29Å; M378-Y545 HydrophobicContact CE-CD2 3.84Å; M378-Y545 HydrophobicContact CE-CE1 4.01Å; M378-Y545 HydrophobicContact CE-CE2 3.54Å; M378-Y545 HydrophobicContact CE-CG 4.21Å; M378-L549 HydrophobicContact CE-CD2 4.29Å; M378-T550 HydrophobicContact CE-CG2 3.87Å; M378-I553 HydrophobicContact CE-CD1 3.94Å; M378-I553 HydrophobicContact CG-CD1 3.85Å; M378-I553 HydrophobicContact SD-CD1 4.08Å | ||
| 379 | N | 93.8 | Very high | 91.3 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 5% | 0.048 | 20% | 0.202 | C | C | . | . | trans | -81.5 | 98 | 173.3 | -46.5 | -52 | 0 | 0 | 0 | 107.9 | I490 N492 Y495 Y496 | N379-I490 HydrophobicContact CB-CB 4.23Å; N379-I490 WeakPolarHBondContact CB-O 3.21Å; N379-I490 PolarHBondContact ND2-O 2.97Å; N379-I490 VanDerWaalsContact ND2-O 3.15Å; N379-I490 PolarHBondContact O-N 3.48Å; N379-N492 PolarHBondContact ND2-OD1 2.87Å; N379-Y495 HydrophobicContact CB-CD1 4.01Å; N379-Y495 HydrophobicContact CB-CD2 3.63Å; N379-Y495 HydrophobicContact CB-CE1 4.31Å; N379-Y495 HydrophobicContact CB-CE2 3.96Å; N379-Y495 HydrophobicContact CB-CG 3.63Å; N379-Y496 PolarHBondContact OD1-OH 2.81Å | ||
| 380 | L | 95.4 | Very high | 91.5 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 136.9 | -175 | -56.7 | 178 | 0 | 0 | 0 | 111.6 | M378 P390 V391 L393 F487 K488 L489 L522 | M378-L380 HydrophobicContact CB-CD1 4.13Å; M378-L380 HydrophobicContact CB-CD2 4.14Å; M378-L380 HydrophobicContact CB-CG 3.86Å; M378-L380 PolarHBondContact O-N 3.45Å; L380-P390 WeakPolarHBondContact O-CA 3.37Å; L380-V391 HydrophobicContact CB-CG2 3.65Å; L380-V391 PolarHBondContact O-N 2.87Å; L380-L393 HydrophobicContact CD1-CD1 4.05Å; L380-L393 HydrophobicContact CD1-CD2 4.06Å; L380-L393 HydrophobicContact CD1-CG 3.56Å; L380-F487 HydrophobicContact CB-CD2 4.48Å; L380-F487 HydrophobicContact CD1-CD2 3.93Å; L380-F487 HydrophobicContact CD1-CE2 3.92Å; L380-F487 HydrophobicContact CD2-CD2 4.09Å; L380-F487 HydrophobicContact CD2-CE2 4.47Å; L380-F487 HydrophobicContact CG-CD2 4.4Å; L380-K488 CarbonylContact C-O 3.55Å; L380-K488 VanDerWaalsContact CA-O 3.3Å; L380-K488 WeakPolarHBondContact CA-O 3.5Å; L380-L489 HydrophobicContact CD2-CB 3.86Å; L380-L489 HydrophobicContact CD2-CD1 3.72Å; L380-L489 HydrophobicContact CD2-CG 4.42Å; L380-L522 HydrophobicContact CD2-CD2 4.03Å |
| 381 | L | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 139.3 | 173.9 | -62.1 | -179.4 | 0 | 0 | 0 | 110.3 | V388 K389 P390 F487 K488 I490 Y510 M513 Y514 | L381-V388 HydrophobicContact CB-CG1 3.99Å; L381-V388 HydrophobicContact CD1-CG1 4.35Å; L381-K389 CarbonylContact C-O 3.6Å; L381-K389 WeakPolarHBondContact CA-O 3.42Å; L381-P390 HydrophobicContact CD2-CB 4.17Å; L381-F487 CarbonylContact O-C 3.6Å; L381-F487 WeakPolarHBondContact O-CA 3.33Å; L381-F487 WeakPolarHBondContact O-CB 3.5Å; L381-K488 PolarHBondContact N-O 2.84Å; L381-K488 PolarHBondContact O-N 3.44Å; L381-I490 HydrophobicContact CD1-CD1 3.92Å; L381-I490 HydrophobicContact CD1-CG1 3.77Å; L381-I490 HydrophobicContact CG-CD1 4.28Å; L381-I490 HydrophobicContact CG-CG1 3.84Å; L381-Y510 HydrophobicContact CD1-CD1 4.32Å; L381-Y510 HydrophobicContact CD2-CD1 3.72Å; L381-Y510 HydrophobicContact CD2-CE1 4.31Å; L381-Y510 HydrophobicContact CD2-CG 4.13Å; L381-M513 HydrophobicContact CD1-CB 3.78Å; L381-M513 HydrophobicContact CD1-CE 4.34Å; L381-Y514 HydrophobicContact CB-CD2 3.89Å; L381-Y514 WeakPolarHBondContact O-CE2 3.49Å |
| 382 | R | 95.3 | Very high | 91.6 | Very high | 32 Ų | 32 | 45.5 Ų | 45.5 | 12% | 0.121 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135.3 | 174.6 | -176 | -175.4 | 173.3 | 176.3 | 2 | 109.8 | I384 V388 K389 V391 L467 F469 F487 | R382-I384 HydrophobicContact CB-CG1 4.45Å; R382-I384 HydrophobicContact CG-CG1 4Å; R382-V388 WeakPolarHBondContact O-CA 3.33Å; R382-K389 PolarHBondContact N-O 2.97Å; R382-K389 PolarHBondContact O-N 3.42Å; R382-V391 HydrophobicContact CB-CB 4.48Å; R382-V391 HydrophobicContact CB-CG1 3.67Å; R382-V391 HydrophobicContact CB-CG2 3.97Å; R382-L467 WeakPolarHBondContact CD-O 3.21Å; R382-L467 PolarHBondContact NH1-O 2.71Å; R382-F469 VanDerWaalsContact NH1-CZ 3.34Å; R382-F487 HydrophobicContact CB-CB 4.27Å |
| 383 | D | 94.2 | Very high | 91.6 | Very high | 48 Ų | 48 | 46.3 Ų | 46.3 | 26% | 0.257 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 117.7 | 167 | -166.6 | -36.4 | 0 | 0 | 0 | 108.8 | G386 V388 K511 Y514 | D383-G386 WeakPolarHBondContact OD1-CA 3.3Å; D383-G386 PolarHBondContact OD1-N 3.27Å; D383-V388 HydrophobicContact CB-CG2 4.1Å; D383-K511 IonicContact OD2-NZ 2.77Å; D383-K511 PolarHBondContact OD2-NZ 3.41Å; D383-Y514 HydrophobicContact CB-CE1 3.99Å; D383-Y514 HydrophobicContact CB-CE2 4.24Å |
| 384 | I | 91.6 | Very high | 91.5 | Very high | 38 Ų | 38 | 47 Ų | 47 | 20% | 0.195 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 102.5 | 178.1 | -55.1 | 169.6 | 0 | 0 | 0 | 106.7 | R382 G386 D387 K389 | R382-I384 HydrophobicContact CB-CG1 4.45Å; R382-I384 HydrophobicContact CG-CG1 4Å; I384-G386 PolarHBondContact O-N 3.1Å; I384-D387 PolarHBondContact N-O 3.15Å; I384-D387 PolarHBondContact O-N 3.42Å; I384-K389 HydrophobicContact CD1-CB 4.46Å; I384-K389 HydrophobicContact CD1-CD 4.36Å |
| 385 | D | 89 | Confident | 91.5 | Very high | 173 Ų | 173 | 47.5 Ų | 47.5 | 93% | 0.925 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 36.3 | 179 | -57.5 | -42.9 | 0 | 0 | 0 | 114.3 | ||
| 386 | G | 88.7 | Confident | 91.5 | Very high | 53 Ų | 53 | 45.5 Ų | 45.5 | 55% | 0.546 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95 | -9.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D383 I384 | D383-G386 WeakPolarHBondContact OD1-CA 3.3Å; D383-G386 PolarHBondContact OD1-N 3.27Å; I384-G386 PolarHBondContact O-N 3.1Å |
| 387 | D | 92.5 | Very high | 91.2 | Very high | 87 Ų | 87 | 46.2 Ų | 46.2 | 47% | 0.465 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 109.9 | 179.5 | -170 | 10.4 | 0 | 0 | 0 | 110.1 | I384 K389 | I384-D387 PolarHBondContact N-O 3.15Å; I384-D387 PolarHBondContact O-N 3.42Å; D387-K389 WeakPolarHBondContact OD2-CE 3.45Å; D387-K389 IonicContact OD2-NZ 3.37Å; D387-K389 PolarHBondContact OD2-NZ 3.36Å |
| 388 | V | 94.1 | Very high | 90.4 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 120.4 | -177.3 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | L381 R382 D383 K511 Y514 | L381-V388 HydrophobicContact CB-CG1 3.99Å; L381-V388 HydrophobicContact CD1-CG1 4.35Å; R382-V388 WeakPolarHBondContact O-CA 3.33Å; D383-V388 HydrophobicContact CB-CG2 4.1Å; V388-K511 HydrophobicContact CG2-CD 3.55Å; V388-Y514 HydrophobicContact CG1-CD2 3.84Å; V388-Y514 HydrophobicContact CG1-CG 3.93Å; V388-Y514 HydrophobicContact CG2-CD1 4.35Å; V388-Y514 HydrophobicContact CG2-CG 4.12Å |
| 389 | K | 93.4 | Very high | 89.7 | Confident | 93 Ų | 93 | 55.2 Ų | 55.2 | 40% | 0.404 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 150.7 | -176.3 | -66.1 | -177.6 | -176.9 | 161.5 | 0 | 112.9 | L381 R382 I384 D387 | L381-K389 CarbonylContact C-O 3.6Å; L381-K389 WeakPolarHBondContact CA-O 3.42Å; R382-K389 PolarHBondContact N-O 2.97Å; R382-K389 PolarHBondContact O-N 3.42Å; I384-K389 HydrophobicContact CD1-CB 4.46Å; I384-K389 HydrophobicContact CD1-CD 4.36Å; D387-K389 WeakPolarHBondContact OD2-CE 3.45Å; D387-K389 IonicContact OD2-NZ 3.37Å; D387-K389 PolarHBondContact OD2-NZ 3.36Å |
| 390 | P | 93 | Very high | 88.6 | Confident | 63 Ų | 63 | 60.4 Ų | 60.4 | 41% | 0.409 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 136.1 | 168.1 | 29.1 | -33.8 | 0 | 0 | 0 | 111.1 | L380 L381 Y510 | L380-P390 WeakPolarHBondContact O-CA 3.37Å; L381-P390 HydrophobicContact CD2-CB 4.17Å; P390-Y510 HydrophobicContact CG-CE2 4.31Å |
| 391 | V | 93.9 | Very high | 87.1 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.036 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 164.5 | 178.7 | -66.2 | 0 | 0 | 0 | 0 | 110.3 | L380 R382 N466 L467 F487 | L380-V391 HydrophobicContact CB-CG2 3.65Å; L380-V391 PolarHBondContact O-N 2.87Å; R382-V391 HydrophobicContact CB-CB 4.48Å; R382-V391 HydrophobicContact CB-CG1 3.67Å; R382-V391 HydrophobicContact CB-CG2 3.97Å; V391-N466 CarbonylContact C-O 3.59Å; V391-N466 VanDerWaalsContact CA-O 3.28Å; V391-N466 WeakPolarHBondContact CA-O 3.41Å; V391-N466 VanDerWaalsContact CB-O 3.25Å; V391-N466 WeakPolarHBondContact CB-O 3.5Å; V391-L467 HydrophobicContact CG2-CD2 4.47Å; V391-F487 HydrophobicContact CG2-CB 4.33Å |
| 392 | K | 91.6 | Very high | 85.5 | Confident | 140 Ų | 140 | 68.4 Ų | 68.4 | 61% | 0.609 | 40% | 0.398 | S | S | * | . | trans | -137.2 | 145.1 | -178.1 | -61.2 | 178.8 | -176.7 | 175.6 | 0 | 111.4 | S394 N466 | K392-S394 PolarHBondContact O-N 2.89Å; K392-N466 HydrophobicContact CB-CB 4.3Å; K392-N466 PolarHBondContact N-O 3.41Å; K392-N466 WeakPolarHBondContact O-CB 3.5Å | ||
| 393 | L | 90.2 | Very high | 84.1 | Confident | 26 Ų | 26 | 69.1 Ų | 69.1 | 14% | 0.136 | 41% | 0.408 | C | S | . | . | trans | -91.2 | 78.1 | 166.6 | -55.8 | -173.8 | 0 | 0 | 0 | 109.1 | M378 L380 V449 L467 F487 I543 Y545 | M378-L393 HydrophobicContact SD-CD1 3.84Å; M378-L393 HydrophobicContact SD-CG 4.47Å; L380-L393 HydrophobicContact CD1-CD1 4.05Å; L380-L393 HydrophobicContact CD1-CD2 4.06Å; L380-L393 HydrophobicContact CD1-CG 3.56Å; L393-V449 HydrophobicContact CD1-CG1 4.35Å; L393-L467 HydrophobicContact CD2-CD2 3.67Å; L393-L467 HydrophobicContact CD2-CG 4.42Å; L393-F487 HydrophobicContact CD1-CE2 4.36Å; L393-F487 HydrophobicContact CD2-CE2 4.13Å; L393-F487 HydrophobicContact CD2-CZ 3.96Å; L393-I543 HydrophobicContact CD1-CG2 4.31Å; L393-I543 HydrophobicContact CD2-CB 4.16Å; L393-I543 HydrophobicContact CD2-CG1 4.36Å; L393-I543 HydrophobicContact CD2-CG2 3.79Å; L393-I543 HydrophobicContact CG-CG2 4.49Å; L393-Y545 HydrophobicContact CB-CD1 4.41Å; L393-Y545 HydrophobicContact CB-CE1 4.23Å; L393-Y545 HydrophobicContact CD1-CD1 3.76Å; L393-Y545 HydrophobicContact CD1-CE1 4.28Å; L393-Y545 HydrophobicContact CD1-CG 4.5Å | ||
| 394 | S | 87.1 | Confident | 83.1 | Confident | 35 Ų | 35 | 74.8 Ų | 74.8 | 25% | 0.245 | 43% | 0.434 | C | S | . | . | trans | -145.4 | 150.8 | 177.8 | -178.4 | 0 | 0 | 0 | 0 | 112 | K392 D396 S463 N466 | K392-S394 PolarHBondContact O-N 2.89Å; S394-D396 WeakPolarHBondContact OG-CB 3.21Å; S394-D396 PolarHBondContact OG-N 3.45Å; S394-D396 PolarHBondContact OG-OD2 3.45Å; S394-D396 VanDerWaalsContact OG-OD2 3.12Å; S394-S463 WeakPolarHBondContact O-CA 3.3Å; S394-N466 PolarHBondContact O-ND2 3.48Å | ||
| 395 | N | 87.7 | Confident | 82 | Confident | 45 Ų | 45 | 79.4 Ų | 79.4 | 24% | 0.241 | 46% | 0.457 | C | S | . | . | trans | -91.9 | -7.9 | 170.9 | -76.9 | -4.6 | 0 | 0 | 0 | 112.9 | N460 N462 S463 P541 | N395-N460 HydrophobicContact CB-CB 4.46Å; N395-N460 PolarHBondContact O-ND2 2.92Å; N395-N462 WeakPolarHBondContact O-CB 3.33Å; N395-N462 PolarHBondContact O-ND2 3.11Å; N395-S463 VanDerWaalsContact OD1-CB 3.26Å; N395-S463 WeakPolarHBondContact OD1-CB 3.23Å; N395-P541 PolarHBondContact ND2-O 3.33Å | ||
| 396 | D | 85 | Confident | 81.1 | Confident | 39 Ų | 39 | 73.8 Ų | 73.8 | 21% | 0.209 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -67.7 | 145.1 | 177.4 | -62.4 | -51.9 | 0 | 0 | 0 | 110.2 | S394 S403 N466 | S394-D396 WeakPolarHBondContact OG-CB 3.21Å; S394-D396 PolarHBondContact OG-N 3.45Å; S394-D396 PolarHBondContact OG-OD2 3.45Å; S394-D396 VanDerWaalsContact OG-OD2 3.12Å; D396-S403 WeakPolarHBondContact OD1-CB 3.36Å; D396-S403 PolarHBondContact OD1-N 2.82Å; D396-S403 VanDerWaalsContact OD1-N 3.14Å; D396-S403 PolarHBondContact OD1-OG 3.45Å; D396-N466 PolarHBondContact O-ND2 3.38Å |
| 397 | S | 83.4 | Confident | 80.2 | Confident | 32 Ų | 32 | 73.6 Ų | 73.6 | 22% | 0.224 | 42% | 0.424 | C | S | . | . | trans | -62.6 | 139.4 | 172.2 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | D399 N400 | S397-D399 PolarHBondContact O-N 3.37Å; S397-D399 VanDerWaalsContact O-N 3.12Å; S397-D399 PolarHBondContact OG-N 3.49Å; S397-N400 PolarHBondContact O-N 2.86Å; S397-N400 VanDerWaalsContact O-O 3.04Å | ||
| 398 | P | 72.2 | Confident | 79.3 | Confident | 83 Ų | 83 | 74.6 Ų | 74.6 | 54% | 0.539 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -29.8 | 173.7 | -19.4 | 27.7 | 0 | 0 | 0 | 113.3 | ||
| 399 | D | 76.5 | Confident | 78.4 | Confident | 145 Ų | 145 | 74.7 Ų | 74.7 | 78% | 0.775 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -15.5 | -173.5 | -56.8 | -43.3 | 0 | 0 | 0 | 113.6 | S397 | S397-D399 PolarHBondContact O-N 3.37Å; S397-D399 VanDerWaalsContact O-N 3.12Å; S397-D399 PolarHBondContact OG-N 3.49Å |
| 400 | N | 69.8 | Low | 77.4 | Confident | 119 Ų | 119 | 72 Ų | 72 | 64% | 0.636 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -117.1 | 146.8 | -175.3 | -67 | -22.7 | 0 | 0 | 0 | 111.2 | S397 | S397-N400 PolarHBondContact O-N 2.86Å; S397-N400 VanDerWaalsContact O-O 3.04Å |
| 401 | G | 63.7 | Low | 76.3 | Confident | 57 Ų | 57 | 73 Ų | 73 | 59% | 0.588 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 173.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S403 | G401-S403 PolarHBondContact O-N 2.84Š|
| 402 | P | 63.4 | Low | 75.5 | Confident | 113 Ų | 113 | 74.5 Ų | 74.5 | 73% | 0.734 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 127.5 | -177.2 | 20 | -31 | 0 | 0 | 0 | 111.3 | ||
| 403 | S | 65.2 | Low | 74.7 | Confident | 48 Ų | 48 | 67.8 Ų | 67.8 | 34% | 0.336 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 147.1 | -175.9 | 58.7 | 0 | 0 | 0 | 0 | 111.7 | D396 G401 M405 S406 | D396-S403 WeakPolarHBondContact OD1-CB 3.36Å; D396-S403 PolarHBondContact OD1-N 2.82Å; D396-S403 VanDerWaalsContact OD1-N 3.14Å; D396-S403 PolarHBondContact OD1-OG 3.45Å; G401-S403 PolarHBondContact O-N 2.84Å; S403-M405 PolarHBondContact O-N 3.21Å; S403-S406 PolarHBondContact O-N 3.29Å; S403-S406 PolarHBondContact O-OG 3.32Å; S403-S406 PolarHBondContact OG-N 3.46Å |
| 404 | M | 72.4 | Confident | 74.2 | Confident | 166 Ų | 166 | 69.4 Ų | 69.4 | 82% | 0.818 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -52.2 | -26.4 | 167.8 | -175.3 | 175.4 | -176.7 | 0 | 0 | 111.8 | A407 M408 | M404-A407 PolarHBondContact O-N 3.47Å; M404-M408 WeakPolarHBondContact O-CB 3.23Å; M404-M408 PolarHBondContact O-N 3.44Å |
| 405 | M | 69.3 | Low | 73.9 | Confident | 135 Ų | 135 | 68.7 Ų | 68.7 | 67% | 0.665 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.2 | -42 | 175.8 | -168 | 151.3 | -174.9 | 0 | 0 | 112.4 | S403 A407 M408 S409 | S403-M405 PolarHBondContact O-N 3.21Å; M405-A407 PolarHBondContact O-N 2.92Å; M405-M408 CarbonylContact O-C 3.6Å; M405-M408 PolarHBondContact O-N 2.88Å; M405-S409 WeakPolarHBondContact O-CB 3.34Å; M405-S409 PolarHBondContact O-N 2.86Å; M405-S409 PolarHBondContact O-OG 3.22Å; M405-S409 VanDerWaalsContact O-OG 3.04Å |
| 406 | S | 69.8 | Low | 73.7 | Confident | 55 Ų | 55 | 66.9 Ų | 66.9 | 39% | 0.385 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 176.1 | 69.1 | 0 | 0 | 0 | 0 | 112.5 | S403 S409 S410 | S403-S406 PolarHBondContact O-N 3.29Å; S403-S406 PolarHBondContact O-OG 3.32Å; S403-S406 PolarHBondContact OG-N 3.46Å; S406-S409 PolarHBondContact O-N 3.03Å; S406-S410 PolarHBondContact O-N 3.24Å |
| 407 | A | 69.5 | Low | 73.9 | Confident | 49 Ų | 49 | 67.1 Ų | 67.1 | 41% | 0.405 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | M404 M405 S409 S410 M411 | M404-A407 PolarHBondContact O-N 3.47Å; M405-A407 PolarHBondContact O-N 2.92Å; A407-S409 VanDerWaalsContact C-N 3.3Å; A407-S409 PolarHBondContact O-N 3.48Å; A407-S410 PolarHBondContact O-N 3.08Å; A407-S410 PolarHBondContact O-OG 3.15Å; A407-M411 WeakPolarHBondContact O-CG 3.29Å; A407-M411 PolarHBondContact O-N 3.34Å |
| 408 | M | 74 | Confident | 74.2 | Confident | 108 Ų | 108 | 65.8 Ų | 65.8 | 53% | 0.532 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.3 | -35.5 | 177.3 | -169.2 | 173.5 | 159.7 | 0 | 0 | 112.3 | M404 M405 M411 T412 | M404-M408 WeakPolarHBondContact O-CB 3.23Å; M404-M408 PolarHBondContact O-N 3.44Å; M405-M408 CarbonylContact O-C 3.6Å; M405-M408 PolarHBondContact O-N 2.88Å; M408-M411 PolarHBondContact O-N 3.28Å; M408-T412 HydrophobicContact CG-CG2 4.24Å; M408-T412 WeakPolarHBondContact O-CB 3.49Å; M408-T412 WeakPolarHBondContact O-CG2 3.47Å; M408-T412 PolarHBondContact O-N 3.44Å; M408-T412 PolarHBondContact O-OG1 2.9Å |
| 409 | S | 76.4 | Confident | 75.1 | Confident | 11 Ų | 11 | 62.5 Ų | 62.5 | 8% | 0.077 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 174.9 | -69.3 | 0 | 0 | 0 | 0 | 112.2 | M405 S406 A407 M411 T412 G413 M414 G415 | M405-S409 WeakPolarHBondContact O-CB 3.34Å; M405-S409 PolarHBondContact O-N 2.86Å; M405-S409 PolarHBondContact O-OG 3.22Å; M405-S409 VanDerWaalsContact O-OG 3.04Å; S406-S409 PolarHBondContact O-N 3.03Å; A407-S409 VanDerWaalsContact C-N 3.3Å; A407-S409 PolarHBondContact O-N 3.48Å; S409-M411 PolarHBondContact O-N 2.88Å; S409-T412 PolarHBondContact O-N 3.02Å; S409-G413 VanDerWaalsContact O-CA 3.31Å; S409-G413 WeakPolarHBondContact O-CA 3.23Å; S409-G413 PolarHBondContact O-N 3.11Å; S409-M414 WeakPolarHBondContact CA-O 3.48Å; S409-M414 WeakPolarHBondContact CB-O 3.45Å; S409-M414 PolarHBondContact OG-O 3.41Å; S409-G415 PolarHBondContact OG-O 3.25Å |
| 410 | S | 70.8 | Confident | 75.7 | Confident | 37 Ų | 37 | 55.9 Ų | 55.9 | 26% | 0.259 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.3 | -30.3 | 174.6 | 74.7 | 0 | 0 | 0 | 0 | 113.1 | S305 S406 A407 S599 | S305-S410 PolarHBondContact OG-O 3.39Å; S406-S410 PolarHBondContact O-N 3.24Å; A407-S410 PolarHBondContact O-N 3.08Å; A407-S410 PolarHBondContact O-OG 3.15Å; S410-S599 VanDerWaalsContact O-CB 3.27Å; S410-S599 WeakPolarHBondContact O-CB 3.39Å; S410-S599 PolarHBondContact O-OG 3.29Å |
| 411 | M | 71.5 | Confident | 76.5 | Confident | 84 Ų | 84 | 51.2 Ų | 51.2 | 41% | 0.414 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -80.8 | -35.6 | 179 | -71.9 | -178.9 | 70.3 | 0 | 0 | 113.8 | T303 S305 A407 M408 S409 | T303-M411 VanDerWaalsContact CG2-O 3.31Å; T303-M411 WeakPolarHBondContact CG2-O 3.26Å; S305-M411 WeakPolarHBondContact OG-CA 3.22Å; A407-M411 WeakPolarHBondContact O-CG 3.29Å; A407-M411 PolarHBondContact O-N 3.34Å; M408-M411 PolarHBondContact O-N 3.28Å; S409-M411 PolarHBondContact O-N 2.88Å |
| 412 | T | 75.7 | Confident | 77.6 | Confident | 37 Ų | 37 | 51.2 Ų | 51.2 | 23% | 0.227 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -100.5 | -14.3 | -174.6 | 58.5 | 0 | 0 | 0 | 0 | 113.5 | M408 S409 M414 | M408-T412 HydrophobicContact CG-CG2 4.24Å; M408-T412 WeakPolarHBondContact O-CB 3.49Å; M408-T412 WeakPolarHBondContact O-CG2 3.47Å; M408-T412 PolarHBondContact O-N 3.44Å; M408-T412 PolarHBondContact O-OG1 2.9Å; S409-T412 PolarHBondContact O-N 3.02Å; T412-M414 HydrophobicContact CG2-CE 4.33Å; T412-M414 PolarHBondContact O-N 3.42Å; T412-M414 PolarHBondContact OG1-N 3.07Å |
| 413 | G | 75.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 68.8 | 7.7 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S409 M601 | S409-G413 VanDerWaalsContact O-CA 3.31Å; S409-G413 WeakPolarHBondContact O-CA 3.23Å; S409-G413 PolarHBondContact O-N 3.11Å; G413-M601 WeakPolarHBondContact CA-SD 3.27Å |
| 414 | M | 78.7 | Confident | 79.6 | Confident | 59 Ų | 59 | 48.5 Ų | 48.5 | 29% | 0.291 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -103.6 | 134 | 179.4 | -62.2 | -169.5 | -66.6 | 0 | 0 | 111.3 | Y300 S409 T412 V416 L538 L635 | Y300-M414 HydrophobicContact CD1-CG 4.47Å; Y300-M414 HydrophobicContact CD1-SD 4.23Å; Y300-M414 HydrophobicContact CE1-CG 4.22Å; Y300-M414 HydrophobicContact CE1-SD 3.56Å; Y300-M414 VanDerWaalsContact CE1-SD 3.56Å; S409-M414 WeakPolarHBondContact CA-O 3.48Å; S409-M414 WeakPolarHBondContact CB-O 3.45Å; S409-M414 PolarHBondContact OG-O 3.41Å; T412-M414 HydrophobicContact CG2-CE 4.33Å; T412-M414 PolarHBondContact O-N 3.42Å; T412-M414 PolarHBondContact OG1-N 3.07Å; M414-V416 VanDerWaalsContact C-N 3.34Å; M414-L538 HydrophobicContact CG-CD2 4Å; M414-L635 HydrophobicContact CE-CD2 4.24Å |
| 415 | G | 81.7 | Confident | 79.9 | Confident | 21 Ų | 21 | 49.1 Ų | 49.1 | 22% | 0.216 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 73.6 | 26.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | S409 L538 A540 | S409-G415 PolarHBondContact OG-O 3.25Å; G415-L538 WeakPolarHBondContact CA-O 3.4Å; G415-L538 PolarHBondContact N-O 3.34Å; G415-A540 WeakPolarHBondContact O-CB 3.25Å |
| 416 | V | 83.5 | Confident | 80.4 | Confident | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -74.5 | 152.4 | 174.2 | -65.6 | 0 | 0 | 0 | 0 | 110.8 | M414 L538 L539 A540 M601 | M414-V416 VanDerWaalsContact C-N 3.34Å; V416-L538 PolarHBondContact N-O 3.45Å; V416-L539 HydrophobicContact CG2-CD2 4.06Å; V416-L539 WeakPolarHBondContact O-CA 3.25Å; V416-A540 PolarHBondContact O-N 2.97Å; V416-A540 VanDerWaalsContact O-N 3.11Å; V416-M601 HydrophobicContact CB-CE 4.38Å; V416-M601 HydrophobicContact CG1-CE 4.09Å; V416-M601 HydrophobicContact CG1-SD 3.95Å; V416-M601 HydrophobicContact CG2-CE 4.01Å; V416-M601 HydrophobicContact CG2-SD 4.15Å |
| 417 | S | 87.9 | Confident | 80.5 | Confident | 44 Ų | 44 | 50.4 Ų | 50.4 | 31% | 0.308 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -89.1 | -22.3 | 172 | 51.2 | 0 | 0 | 0 | 0 | 112.4 | A544 Y545 | S417-A544 CarbonylContact O-C 3.47Å; S417-A544 WeakPolarHBondContact O-CA 3.33Å; S417-A544 VanDerWaalsContact O-CB 3.28Å; S417-A544 WeakPolarHBondContact O-CB 3.39Å; S417-Y545 PolarHBondContact O-N 3.45Å; S417-Y545 PolarHBondContact OG-OH 3.44Å |
| 418 | S | 89.7 | Confident | 80.8 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 123 | 179 | 59.4 | 0 | 0 | 0 | 0 | 111.9 | Y545 | S418-Y545 CarbonylContact C-O 3.52Å; S418-Y545 VanDerWaalsContact CA-O 3.23Å; S418-Y545 WeakPolarHBondContact CA-O 3.41Å |
| 419 | F | 91.3 | Very high | 81.3 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 7% | 0.066 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 152 | 170.7 | 60.1 | -103.7 | 0 | 0 | 0 | 111.6 | F430 L431 P443 V450 L539 A544 Y545 S546 N547 | F419-F430 HydrophobicContact CB-CD1 4.16Å; F419-F430 HydrophobicContact CB-CE1 4.23Å; F419-L431 HydrophobicContact CB-CD2 4.15Å; F419-L431 HydrophobicContact CD1-CD1 4.01Å; F419-L431 HydrophobicContact CD1-CD2 4.31Å; F419-L431 HydrophobicContact CD2-CD1 4.06Å; F419-L431 HydrophobicContact CD2-CG 4.38Å; F419-L431 HydrophobicContact CE1-CD1 3.95Å; F419-L431 HydrophobicContact CE2-CD1 4.01Å; F419-L431 HydrophobicContact CG-CD1 4.06Å; F419-L431 HydrophobicContact CG-CD2 4.21Å; F419-L431 HydrophobicContact CG-CG 4.26Å; F419-L431 HydrophobicContact CZ-CD1 3.95Å; F419-P443 HydrophobicContact CE1-CG 4.3Å; F419-P443 HydrophobicContact CZ-CB 4.11Å; F419-P443 HydrophobicContact CZ-CG 3.93Å; F419-V450 HydrophobicContact CE1-CG2 4.31Å; F419-L539 HydrophobicContact CB-CD1 4.19Å; F419-L539 HydrophobicContact CB-CD2 4.03Å; F419-A544 HydrophobicContact CD1-CB 4.27Å; F419-Y545 VanDerWaalsContact CD1-C 3.44Å; F419-Y545 WeakPolarHBondContact CD1-O 3.19Å; F419-Y545 WeakPolarHBondContact CE1-O 3.31Å; F419-Y545 PolarHBondContact N-O 2.82Å; F419-S546 VanDerWaalsContact CE2-CA 3.5Å; F419-S546 VanDerWaalsContact CE2-CB 3.48Å; F419-S546 VanDerWaalsContact CZ-CA 3.48Å; F419-N547 PolarHBondContact O-N 2.88Å |
| 420 | P | 90.1 | Very high | 81.9 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.039 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 158.5 | -172.5 | 28.8 | -36.4 | 0 | 0 | 0 | 114.6 | N369 I370 F430 Y603 | N369-P420 HydrophobicContact CB-CB 4.13Å; N369-P420 HydrophobicContact CB-CG 3.93Å; I370-P420 CarbonylContact O-C 3.19Å; I370-P420 WeakPolarHBondContact O-CA 3.29Å; I370-P420 WeakPolarHBondContact O-CB 3.11Å; P420-F430 HydrophobicContact CG-CB 3.76Å; P420-F430 HydrophobicContact CG-CD1 3.99Å; P420-F430 HydrophobicContact CG-CD2 3.7Å; P420-F430 HydrophobicContact CG-CE2 4.28Å; P420-F430 HydrophobicContact CG-CG 3.53Å; P420-Y603 HydrophobicContact CB-CD2 4.23Å; P420-Y603 HydrophobicContact CB-CE2 3.84Å; P420-Y603 HydrophobicContact CG-CD2 4.31Å; P420-Y603 HydrophobicContact CG-CE2 3.94Å |
| 421 | T | 86.8 | Confident | 82.9 | Confident | 21 Ų | 21 | 44 Ų | 44 | 13% | 0.129 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 145.2 | 165.9 | 35.9 | 0 | 0 | 0 | 0 | 109.8 | N369 I370 N547 E548 | N369-T421 WeakPolarHBondContact CA-O 3.33Å; I370-T421 PolarHBondContact N-O 3.34Å; I370-T421 PolarHBondContact O-N 2.92Å; I370-T421 PolarHBondContact O-OG1 2.94Å; T421-N547 WeakPolarHBondContact CB-ND2 3.49Å; T421-N547 WeakPolarHBondContact CG2-ND2 3.33Å; T421-N547 WeakPolarHBondContact CG2-OD1 3.43Å; T421-N547 PolarHBondContact N-ND2 2.82Å; T421-N547 PolarHBondContact OG1-ND2 2.77Å; T421-E548 HydrophobicContact CG2-CG 3.61Å; T421-E548 WeakPolarHBondContact CG2-OE1 3.46Å |
| 422 | Q | 86.7 | Confident | 83.8 | Confident | 57 Ų | 57 | 45.2 Ų | 45.2 | 27% | 0.266 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 127 | 166.3 | -56.7 | 173.3 | -88.5 | 0 | 0 | 109.4 | N368 G428 N429 | N368-Q422 WeakPolarHBondContact O-CA 3.35Å; Q422-G428 PolarHBondContact NE2-O 3.37Å; Q422-N429 VanDerWaalsContact CD-ND2 3.29Å; Q422-N429 PolarHBondContact NE2-ND2 3.04Å; Q422-N429 PolarHBondContact OE1-ND2 3.37Å |
| 423 | L | 85.3 | Confident | 84.3 | Confident | 53 Ų | 53 | 47.3 Ų | 47.3 | 28% | 0.277 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -72.2 | -46.5 | 175.1 | -65.6 | -178 | 0 | 0 | 0 | 111.1 | P364 S367 N368 I370 | P364-L423 HydrophobicContact CB-CB 4.4Å; P364-L423 HydrophobicContact CG-CB 4.1Å; P364-L423 HydrophobicContact CG-CD1 4.46Å; S367-L423 WeakPolarHBondContact O-CD1 3.48Å; N368-L423 PolarHBondContact O-N 2.93Å; I370-L423 HydrophobicContact CD1-CD1 3.74Å; I370-L423 HydrophobicContact CD1-CD2 4.3Å; I370-L423 HydrophobicContact CD1-CG 4.27Å; I370-L423 HydrophobicContact CG1-CD1 4.23Å; I370-L423 HydrophobicContact CG1-CG 4.4Å |
| 424 | D | 84.2 | Confident | 85 | Confident | 51 Ų | 51 | 48 Ų | 48 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -112.2 | 120.5 | 172.2 | 178.5 | 10.7 | 0 | 0 | 0 | 110.3 | P364 N368 D426 S427 | P364-D424 HydrophobicContact CB-CB 3.99Å; P364-D424 HydrophobicContact CG-CB 4.38Å; N368-D424 PolarHBondContact ND2-O 3.23Å; N368-D424 WeakPolarHBondContact OD1-CA 3.33Å; N368-D424 WeakPolarHBondContact OD1-CB 3.34Å; N368-D424 PolarHBondContact OD1-N 2.9Å; N368-D424 PolarHBondContact OD1-O 3.5Å; D424-D426 PolarHBondContact O-N 2.81Å; D424-D426 PolarHBondContact OD1-N 3.49Å; D424-S427 PolarHBondContact O-N 3.48Å; D424-S427 WeakPolarHBondContact OD2-CB 3.32Å; D424-S427 PolarHBondContact OD2-OG 2.89Å |
| 425 | K | 80.1 | Confident | 85.7 | Confident | 179 Ų | 179 | 45.2 Ų | 45.2 | 78% | 0.778 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -21.6 | -179 | -67.6 | -176.3 | 179.4 | 178.7 | 0 | 112.7 | ||
| 426 | D | 79.4 | Confident | 86.3 | Confident | 151 Ų | 151 | 49.4 Ų | 49.4 | 81% | 0.807 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -16.4 | -179.6 | -63.3 | -35.4 | 0 | 0 | 0 | 112.5 | D424 G428 | D424-D426 PolarHBondContact O-N 2.81Å; D424-D426 PolarHBondContact OD1-N 3.49Å; D426-G428 PolarHBondContact O-N 3.1Å |
| 427 | S | 72 | Confident | 86.9 | Confident | 66 Ų | 66 | 51.7 Ų | 51.7 | 46% | 0.462 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -101.4 | 40.5 | -168.9 | -69.2 | 0 | 0 | 0 | 0 | 115.8 | N368 D424 | N368-S427 PolarHBondContact ND2-O 3.21Å; D424-S427 PolarHBondContact O-N 3.48Å; D424-S427 WeakPolarHBondContact OD2-CB 3.32Å; D424-S427 PolarHBondContact OD2-OG 2.89Å |
| 428 | G | 74.5 | Confident | 87.2 | Confident | 29 Ų | 29 | 51.8 Ų | 51.8 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | trans | 88.9 | 152.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N368 Q422 D426 | N368-G428 PolarHBondContact ND2-O 3.44Å; Q422-G428 PolarHBondContact NE2-O 3.37Å; D426-G428 PolarHBondContact O-N 3.1Å | ||
| 429 | N | 85.7 | Confident | 87.5 | Confident | 31 Ų | 31 | 52.6 Ų | 52.6 | 17% | 0.166 | 27% | 0.274 | C | S | . | . | trans | -127.9 | 118.7 | -170.4 | 176.7 | -75.5 | 0 | 0 | 0 | 111 | Q422 L431 K432 D433 | Q422-N429 VanDerWaalsContact CD-ND2 3.29Å; Q422-N429 PolarHBondContact NE2-ND2 3.04Å; Q422-N429 PolarHBondContact OE1-ND2 3.37Å; N429-L431 VanDerWaalsContact C-N 3.28Å; N429-L431 PolarHBondContact O-N 2.9Å; N429-L431 VanDerWaalsContact O-N 3.09Å; N429-L431 PolarHBondContact OD1-N 2.85Å; N429-L431 VanDerWaalsContact OD1-N 3.1Å; N429-K432 HydrophobicContact CB-CB 4.01Å; N429-K432 HydrophobicContact CB-CD 4.04Å; N429-K432 HydrophobicContact CB-CG 4.11Å; N429-K432 PolarHBondContact O-N 3.47Å; N429-K432 PolarHBondContact OD1-N 2.78Å; N429-D433 PolarHBondContact N-OD2 2.98Å; N429-D433 WeakPolarHBondContact O-CB 3.45Å; N429-D433 PolarHBondContact O-N 2.6Å | ||
| 430 | F | 88.2 | Confident | 87.7 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -43.8 | -48.6 | -177.9 | 176.2 | -93.9 | 0 | 0 | 0 | 114.5 | N369 F419 P420 N434 Y435 M536 L538 L539 Y603 | N369-F430 WeakPolarHBondContact OD1-CB 3.28Å; N369-F430 PolarHBondContact OD1-N 3.32Å; F419-F430 HydrophobicContact CB-CD1 4.16Å; F419-F430 HydrophobicContact CB-CE1 4.23Å; P420-F430 HydrophobicContact CG-CB 3.76Å; P420-F430 HydrophobicContact CG-CD1 3.99Å; P420-F430 HydrophobicContact CG-CD2 3.7Å; P420-F430 HydrophobicContact CG-CE2 4.28Å; P420-F430 HydrophobicContact CG-CG 3.53Å; F430-N434 WeakPolarHBondContact O-CB 3.48Å; F430-N434 PolarHBondContact O-N 2.71Å; F430-N434 VanDerWaalsContact O-N 3.14Å; F430-N434 PolarHBondContact O-ND2 2.91Å; F430-Y435 HydrophobicContact CE1-CD2 4.42Å; F430-Y435 AromaticContact CE1-CE2 3.75Å; F430-Y435 HydrophobicContact CE1-CE2 3.75Å; F430-Y435 HydrophobicContact CZ-CE2 4.06Å; F430-M536 HydrophobicContact CD2-CE 4.31Å; F430-M536 HydrophobicContact CE2-CE 3.92Å; F430-L538 HydrophobicContact CE2-CD1 4.44Å; F430-L538 HydrophobicContact CZ-CB 4.44Å; F430-L539 HydrophobicContact CE1-CD1 4.07Å; F430-L539 HydrophobicContact CE1-CD2 4.38Å; F430-L539 HydrophobicContact CE1-CG 4.08Å; F430-Y603 HydrophobicContact CD2-CD1 4.44Å; F430-Y603 HydrophobicContact CD2-CE1 4.39Å; F430-Y603 HydrophobicContact CE2-CD1 4.07Å; F430-Y603 AromaticContact CE2-CE1 3.72Å; F430-Y603 HydrophobicContact CE2-CE1 3.72Å; F430-Y603 HydrophobicContact CZ-CE1 4.43Å |
| 431 | L | 91.4 | Very high | 88 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.6 | -46.3 | -179.5 | -66.4 | 178.4 | 0 | 0 | 0 | 111.6 | F419 N429 D433 Y435 Y442 P443 L528 L539 | F419-L431 HydrophobicContact CB-CD2 4.15Å; F419-L431 HydrophobicContact CD1-CD1 4.01Å; F419-L431 HydrophobicContact CD1-CD2 4.31Å; F419-L431 HydrophobicContact CD2-CD1 4.06Å; F419-L431 HydrophobicContact CD2-CG 4.38Å; F419-L431 HydrophobicContact CE1-CD1 3.95Å; F419-L431 HydrophobicContact CE2-CD1 4.01Å; F419-L431 HydrophobicContact CG-CD1 4.06Å; F419-L431 HydrophobicContact CG-CD2 4.21Å; F419-L431 HydrophobicContact CG-CG 4.26Å; F419-L431 HydrophobicContact CZ-CD1 3.95Å; N429-L431 VanDerWaalsContact C-N 3.28Å; N429-L431 PolarHBondContact O-N 2.9Å; N429-L431 VanDerWaalsContact O-N 3.09Å; N429-L431 PolarHBondContact OD1-N 2.85Å; N429-L431 VanDerWaalsContact OD1-N 3.1Å; L431-D433 VanDerWaalsContact C-N 3.29Å; L431-D433 PolarHBondContact O-N 2.94Å; L431-Y435 HydrophobicContact CD2-CD2 4.14Å; L431-Y435 CarbonylContact O-C 3.57Å; L431-Y435 VanDerWaalsContact O-CA 3.32Å; L431-Y435 WeakPolarHBondContact O-CA 3.24Å; L431-Y435 VanDerWaalsContact O-CB 3.29Å; L431-Y435 WeakPolarHBondContact O-CB 3.48Å; L431-Y435 PolarHBondContact O-N 3.21Å; L431-Y442 HydrophobicContact CB-CD1 4.06Å; L431-Y442 HydrophobicContact CB-CE1 4.26Å; L431-P443 HydrophobicContact CD1-CG 3.87Å; L431-L528 HydrophobicContact CB-CD1 4.24Å; L431-L528 HydrophobicContact CD1-CD1 4.16Å; L431-L528 HydrophobicContact CD2-CD1 3.96Å; L431-L528 HydrophobicContact CG-CD1 4.36Å; L431-L539 HydrophobicContact CD2-CD1 3.75Å |
| 432 | K | 90.2 | Very high | 88.4 | Confident | 111 Ų | 111 | 57.2 Ų | 57.2 | 48% | 0.483 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.3 | -32.6 | 179.9 | -66.4 | 179.9 | -176.3 | 171.9 | 0 | 112.4 | N429 Y442 K531 | N429-K432 HydrophobicContact CB-CB 4.01Å; N429-K432 HydrophobicContact CB-CD 4.04Å; N429-K432 HydrophobicContact CB-CG 4.11Å; N429-K432 PolarHBondContact O-N 3.47Å; N429-K432 PolarHBondContact OD1-N 2.78Å; K432-Y442 HydrophobicContact CB-CE1 4.49Å; K432-Y442 HydrophobicContact CG-CD1 4Å; K432-Y442 HydrophobicContact CG-CD2 4.05Å; K432-Y442 HydrophobicContact CG-CE1 4.01Å; K432-Y442 HydrophobicContact CG-CE2 4.06Å; K432-Y442 HydrophobicContact CG-CG 4.02Å; K432-K531 VanDerWaalsContact O-CE 3.26Å; K432-K531 WeakPolarHBondContact O-CE 3.35Å; K432-K531 PolarHBondContact O-NZ 3.37Å |
| 433 | D | 88 | Confident | 88.7 | Confident | 81 Ų | 81 | 55.9 Ų | 55.9 | 43% | 0.433 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -77.4 | -40.9 | -176.2 | -64 | -19.6 | 0 | 0 | 0 | 110.5 | N429 L431 K531 | N429-D433 PolarHBondContact N-OD2 2.98Å; N429-D433 WeakPolarHBondContact O-CB 3.45Å; N429-D433 PolarHBondContact O-N 2.6Å; L431-D433 VanDerWaalsContact C-N 3.29Å; L431-D433 PolarHBondContact O-N 2.94Å; D433-K531 WeakPolarHBondContact O-CD 3.19Å; D433-K531 WeakPolarHBondContact O-CE 3.38Å; D433-K531 PolarHBondContact O-NZ 3.34Å |
| 434 | N | 88.9 | Confident | 88.9 | Confident | 14 Ų | 14 | 62.4 Ų | 62.4 | 8% | 0.075 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -103.2 | -21.9 | -172 | -61.5 | -59.2 | 0 | 0 | 0 | 114.9 | F430 K531 S534 M536 | F430-N434 WeakPolarHBondContact O-CB 3.48Å; F430-N434 PolarHBondContact O-N 2.71Å; F430-N434 VanDerWaalsContact O-N 3.14Å; F430-N434 PolarHBondContact O-ND2 2.91Å; N434-K531 PolarHBondContact O-N 3.12Å; N434-S534 WeakPolarHBondContact O-CB 3.39Å; N434-S534 PolarHBondContact OD1-OG 3.18Å; N434-M536 HydrophobicContact CB-CB 4.34Å; N434-M536 PolarHBondContact OD1-SD 2.86Å; N434-M536 VanDerWaalsContact OD1-SD 3.36Å |
| 435 | Y | 93.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 137.9 | -174.7 | -62.4 | -98.8 | 0 | 0 | 0 | 112.2 | F430 L431 Y442 I452 L528 R529 V530 L538 L539 | F430-Y435 HydrophobicContact CE1-CD2 4.42Å; F430-Y435 AromaticContact CE1-CE2 3.75Å; F430-Y435 HydrophobicContact CE1-CE2 3.75Å; F430-Y435 HydrophobicContact CZ-CE2 4.06Å; L431-Y435 HydrophobicContact CD2-CD2 4.14Å; L431-Y435 CarbonylContact O-C 3.57Å; L431-Y435 VanDerWaalsContact O-CA 3.32Å; L431-Y435 WeakPolarHBondContact O-CA 3.24Å; L431-Y435 VanDerWaalsContact O-CB 3.29Å; L431-Y435 WeakPolarHBondContact O-CB 3.48Å; L431-Y435 PolarHBondContact O-N 3.21Å; Y435-Y442 PolarHBondContact O-OH 3.5Å; Y435-I452 HydrophobicContact CD1-CD1 4.38Å; Y435-I452 HydrophobicContact CE1-CD1 4.41Å; Y435-I452 HydrophobicContact CE1-CG2 3.98Å; Y435-L528 HydrophobicContact CD1-CB 4.42Å; Y435-R529 CarbonylContact C-O 3.59Å; Y435-R529 VanDerWaalsContact CA-O 3.3Å; Y435-R529 WeakPolarHBondContact CA-O 3.48Å; Y435-V530 HydrophobicContact CD1-CB 4.42Å; Y435-V530 HydrophobicContact CE1-CB 4.27Å; Y435-L538 PolarHBondContact OH-N 2.98Å; Y435-L539 HydrophobicContact CE1-CD1 4.48Å; Y435-L539 HydrophobicContact CE2-CD1 4.04Å; Y435-L539 HydrophobicContact CE2-CG 4.3Å; Y435-L539 WeakPolarHBondContact OH-CB 3.32Å; Y435-L539 PolarHBondContact OH-N 2.77Å |
| 436 | K | 94.5 | Very high | 89.8 | Confident | 109 Ų | 109 | 56.2 Ų | 56.2 | 47% | 0.474 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 129.8 | 172.8 | -177.9 | 179.5 | 179.5 | -179.5 | 0 | 109.7 | L438 L528 R529 K531 | K436-L438 HydrophobicContact CD-CD2 4.49Å; K436-L438 PolarHBondContact O-N 3.35Å; K436-L528 WeakPolarHBondContact O-CA 3.06Å; K436-R529 PolarHBondContact N-O 3.43Å; K436-R529 PolarHBondContact O-N 2.62Å; K436-K531 HydrophobicContact CB-CG 4.14Å |
| 437 | L | 96.1 | Very high | 90.4 | Very high | 55 Ų | 55 | 50.1 Ų | 50.1 | 29% | 0.288 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 123.3 | 169.1 | -175.1 | 67 | 0 | 0 | 0 | 110.6 | A439 Y442 L528 | L437-A439 WeakPolarHBondContact CD1-O 3.49Å; L437-Y442 HydrophobicContact CB-CD2 4.43Å; L437-Y442 HydrophobicContact CB-CE2 3.74Å; L437-Y442 HydrophobicContact CD2-CD2 4.15Å; L437-Y442 HydrophobicContact CD2-CE2 4.1Å; L437-Y442 HydrophobicContact CG-CE2 4.45Å; L437-Y442 PolarHBondContact N-OH 3.47Å; L437-L528 HydrophobicContact CB-CD2 4.13Å; L437-L528 HydrophobicContact CD1-CD2 3.57Å; L437-L528 HydrophobicContact CG-CD2 4.48Å |
| 438 | L | 95.7 | Very high | 91.5 | Very high | 47 Ų | 47 | 48.3 Ų | 48.3 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -39.6 | 174.6 | -61.9 | -173.9 | 0 | 0 | 0 | 112 | K436 V453 F479 I527 R529 | K436-L438 HydrophobicContact CD-CD2 4.49Å; K436-L438 PolarHBondContact O-N 3.35Å; L438-V453 HydrophobicContact CD1-CG2 3.69Å; L438-F479 HydrophobicContact CB-CE2 3.87Å; L438-F479 HydrophobicContact CB-CZ 4.35Å; L438-F479 HydrophobicContact CD1-CE2 4.26Å; L438-F479 HydrophobicContact CD1-CZ 3.96Å; L438-I527 HydrophobicContact CB-CB 4.49Å; L438-I527 HydrophobicContact CB-CG2 4.44Å; L438-I527 HydrophobicContact CD1-CG2 4.28Å; L438-I527 PolarHBondContact N-O 3.4Å; L438-R529 HydrophobicContact CD1-CB 3.9Å; L438-R529 HydrophobicContact CD2-CB 4.29Å; L438-R529 HydrophobicContact CG-CB 4.06Å |
| 439 | A | 96.2 | Very high | 92.6 | Very high | 19 Ų | 19 | 47 Ų | 47 | 16% | 0.157 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 154.5 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | L437 F479 V483 G526 I527 | L437-A439 WeakPolarHBondContact CD1-O 3.49Å; A439-F479 HydrophobicContact CB-CB 3.84Å; A439-F479 HydrophobicContact CB-CD2 3.77Å; A439-F479 HydrophobicContact CB-CG 4.11Å; A439-V483 HydrophobicContact CB-CG2 3.98Å; A439-G526 CarbonylContact O-C 3.52Å; A439-G526 WeakPolarHBondContact O-CA 3.41Å; A439-I527 PolarHBondContact O-N 3.41Å |
| 440 | G | 95.5 | Very high | 93.1 | Very high | 48 Ų | 48 | 45.5 Ų | 45.5 | 50% | 0.495 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 78.5 | -136.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S525 | G440-S525 CarbonylContact C-O 3.56Å; G440-S525 WeakPolarHBondContact CA-O 3.43Å |
| 441 | A | 95.7 | Very high | 93.5 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 34% | 0.339 | 25% | 0.247 | S | C | . | . | trans | -138.5 | 159.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S525 | A441-S525 PolarHBondContact N-O 2.98Å; A441-S525 CarbonylContact O-C 3.4Å | ||
| 442 | Y | 94.2 | Very high | 93.7 | Very high | 51 Ų | 51 | 45.2 Ų | 45.2 | 20% | 0.2 | 25% | 0.246 | C | C | . | . | trans | -66.6 | 148.5 | 166.1 | -69.6 | -82.2 | 0 | 0 | 0 | 110.5 | L431 K432 Y435 L437 K444 L528 | L431-Y442 HydrophobicContact CB-CD1 4.06Å; L431-Y442 HydrophobicContact CB-CE1 4.26Å; K432-Y442 HydrophobicContact CB-CE1 4.49Å; K432-Y442 HydrophobicContact CG-CD1 4Å; K432-Y442 HydrophobicContact CG-CD2 4.05Å; K432-Y442 HydrophobicContact CG-CE1 4.01Å; K432-Y442 HydrophobicContact CG-CE2 4.06Å; K432-Y442 HydrophobicContact CG-CG 4.02Å; Y435-Y442 PolarHBondContact O-OH 3.5Å; L437-Y442 HydrophobicContact CB-CD2 4.43Å; L437-Y442 HydrophobicContact CB-CE2 3.74Å; L437-Y442 HydrophobicContact CD2-CD2 4.15Å; L437-Y442 HydrophobicContact CD2-CE2 4.1Å; L437-Y442 HydrophobicContact CG-CE2 4.45Å; L437-Y442 PolarHBondContact N-OH 3.47Å; Y442-K444 PolarHBondContact O-N 2.86Å; Y442-L528 HydrophobicContact CD1-CD1 4.27Å; Y442-L528 HydrophobicContact CD1-CD2 3.98Å; Y442-L528 HydrophobicContact CE1-CD1 4.28Å; Y442-L528 HydrophobicContact CE1-CD2 3.74Å | ||
| 443 | P | 93.2 | Very high | 93.9 | Very high | 28 Ų | 28 | 40.1 Ų | 40.1 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | trans | -51.9 | 135.4 | 176 | -30.1 | 37.5 | 0 | 0 | 0 | 112.8 | F419 L431 D448 V450 | F419-P443 HydrophobicContact CE1-CG 4.3Å; F419-P443 HydrophobicContact CZ-CB 4.11Å; F419-P443 HydrophobicContact CZ-CG 3.93Å; L431-P443 HydrophobicContact CD1-CG 3.87Å; P443-D448 HydrophobicContact CB-CB 3.81Å; P443-D448 HydrophobicContact CG-CB 4.44Å; P443-V450 HydrophobicContact CG-CG1 3.54Å | ||
| 444 | K | 90.4 | Very high | 94 | Very high | 191 Ų | 191 | 38.6 Ų | 38.6 | 83% | 0.83 | 22% | 0.216 | S | C | * | . | trans | -119.6 | -37.9 | 173.8 | -66.2 | -179.9 | -177.2 | 175.5 | 0 | 111.8 | Y442 D448 | Y442-K444 PolarHBondContact O-N 2.86Å; K444-D448 PolarHBondContact N-OD2 3.35Å | ||
| 445 | A | 91.9 | Very high | 94 | Very high | 42 Ų | 42 | 41.3 Ų | 41.3 | 35% | 0.347 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -95.7 | 157 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | T447 D448 | A445-T447 PolarHBondContact O-N 2.94Å; A445-D448 PolarHBondContact N-OD2 3.31Å; A445-D448 WeakPolarHBondContact O-CB 3.31Å; A445-D448 PolarHBondContact O-N 3.49Å; A445-D448 VanDerWaalsContact O-N 3.15Å |
| 446 | N | 90.1 | Very high | 93.9 | Very high | 58 Ų | 58 | 47.7 Ų | 47.7 | 31% | 0.31 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -22 | 172.8 | 58.4 | -7.3 | 0 | 0 | 0 | 112.5 | D448 S546 E548 L549 | N446-D448 VanDerWaalsContact C-N 3.32Å; N446-S546 WeakPolarHBondContact CA-OG 3.24Å; N446-S546 PolarHBondContact O-OG 2.86Å; N446-E548 HydrophobicContact CB-CB 3.77Å; N446-L549 WeakPolarHBondContact O-CB 3.32Å |
| 447 | T | 93.4 | Very high | 93.8 | Very high | 23 Ų | 23 | 45.9 Ų | 45.9 | 14% | 0.141 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -6 | 174.3 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | A445 V449 D520 T521 L522 K523 L549 | A445-T447 PolarHBondContact O-N 2.94Å; T447-V449 PolarHBondContact O-N 3.01Å; T447-D520 HydrophobicContact CG2-CB 4.41Å; T447-T521 WeakPolarHBondContact CB-O 3.38Å; T447-L522 HydrophobicContact CG2-CD1 4.12Å; T447-L522 VanDerWaalsContact O-CA 3.3Å; T447-L522 WeakPolarHBondContact O-CA 3.42Å; T447-K523 PolarHBondContact O-N 2.85Å; T447-L549 HydrophobicContact CG2-CD1 4.4Å |
| 448 | D | 95.4 | Very high | 93.7 | Very high | 28 Ų | 28 | 46 Ų | 46 | 15% | 0.15 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 122.8 | 173 | -68.7 | -27.7 | 0 | 0 | 0 | 109.6 | P443 K444 A445 N446 | P443-D448 HydrophobicContact CB-CB 3.81Å; P443-D448 HydrophobicContact CG-CB 4.44Å; K444-D448 PolarHBondContact N-OD2 3.35Å; A445-D448 PolarHBondContact N-OD2 3.31Å; A445-D448 WeakPolarHBondContact O-CB 3.31Å; A445-D448 PolarHBondContact O-N 3.49Å; A445-D448 VanDerWaalsContact O-N 3.15Å; N446-D448 VanDerWaalsContact C-N 3.32Å |
| 449 | V | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 163.6 | 171.3 | -51.8 | 0 | 0 | 0 | 0 | 110.1 | L393 T447 F487 K523 I524 S525 I543 A544 L549 | L393-V449 HydrophobicContact CD1-CG1 4.35Å; T447-V449 PolarHBondContact O-N 3.01Å; V449-F487 HydrophobicContact CG1-CZ 4.32Å; V449-F487 HydrophobicContact CG2-CE1 4.23Å; V449-F487 HydrophobicContact CG2-CZ 3.7Å; V449-K523 WeakPolarHBondContact CG2-O 3.47Å; V449-K523 PolarHBondContact N-O 2.97Å; V449-I524 HydrophobicContact CG2-CB 4.33Å; V449-I524 HydrophobicContact CG2-CG1 3.84Å; V449-I524 CarbonylContact O-C 3.18Å; V449-I524 WeakPolarHBondContact O-CA 3.24Å; V449-S525 PolarHBondContact O-N 3.36Å; V449-S525 PolarHBondContact O-OG 3.39Å; V449-I543 HydrophobicContact CB-CG2 3.93Å; V449-I543 HydrophobicContact CG2-CG2 3.89Å; V449-A544 WeakPolarHBondContact CA-O 3.28Å; V449-A544 WeakPolarHBondContact CB-O 3.49Å; V449-L549 HydrophobicContact CG1-CD2 4.46Å |
| 450 | V | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 149.2 | 177.6 | -71.4 | 0 | 0 | 0 | 0 | 111 | F419 P443 I452 S525 G526 L528 I543 A544 | F419-V450 HydrophobicContact CE1-CG2 4.31Å; P443-V450 HydrophobicContact CG-CG1 3.54Å; V450-I452 HydrophobicContact CG2-CD1 3.91Å; V450-S525 WeakPolarHBondContact CG1-OG 3.22Å; V450-G526 WeakPolarHBondContact CA-O 3.43Å; V450-L528 HydrophobicContact CB-CD1 4.09Å; V450-L528 HydrophobicContact CB-CG 4.14Å; V450-L528 HydrophobicContact CG1-CD1 4.04Å; V450-L528 HydrophobicContact CG1-CG 4.18Å; V450-L528 HydrophobicContact CG2-CD1 3.93Å; V450-L528 HydrophobicContact CG2-CG 4.45Å; V450-I543 WeakPolarHBondContact O-CA 3.36Å; V450-A544 HydrophobicContact CG2-CB 4.06Å; V450-A544 PolarHBondContact N-O 2.59Å; V450-A544 PolarHBondContact O-N 3.38Å |
| 451 | L | 96.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 124.8 | 168.2 | 178.9 | 70.4 | 0 | 0 | 0 | 109.3 | V453 T459 L464 I482 G526 I527 L528 I543 | L451-V453 HydrophobicContact CD2-CG1 4.35Å; L451-V453 HydrophobicContact CG-CG1 4.39Å; L451-T459 HydrophobicContact CD1-CG2 4.13Å; L451-T459 HydrophobicContact CD2-CG2 4.44Å; L451-L464 HydrophobicContact CD1-CD2 4.28Å; L451-L464 HydrophobicContact CD2-CD2 4.38Å; L451-I482 HydrophobicContact CD2-CD1 3.88Å; L451-I482 HydrophobicContact CD2-CG2 3.99Å; L451-G526 PolarHBondContact N-O 3.29Å; L451-I527 HydrophobicContact CB-CG1 4.13Å; L451-I527 HydrophobicContact CD2-CD1 4.32Å; L451-I527 HydrophobicContact CD2-CG1 4.21Å; L451-I527 HydrophobicContact CD2-CG2 4.4Å; L451-I527 CarbonylContact O-C 3.59Å; L451-I527 WeakPolarHBondContact O-CA 3.5Å; L451-L528 PolarHBondContact O-N 3.26Å; L451-I543 HydrophobicContact CB-CD1 4.16Å; L451-I543 HydrophobicContact CD1-CD1 3.71Å |
| 452 | I | 95.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 129.5 | 173.3 | -52.6 | -54.6 | 0 | 0 | 0 | 109.3 | Y435 V450 T459 L528 L539 P541 G542 A544 | Y435-I452 HydrophobicContact CD1-CD1 4.38Å; Y435-I452 HydrophobicContact CE1-CD1 4.41Å; Y435-I452 HydrophobicContact CE1-CG2 3.98Å; V450-I452 HydrophobicContact CG2-CD1 3.91Å; I452-T459 PolarHBondContact O-OG1 2.77Å; I452-L528 WeakPolarHBondContact CA-O 3.35Å; I452-L528 HydrophobicContact CD1-CB 3.87Å; I452-L528 HydrophobicContact CD1-CD1 4.24Å; I452-L528 HydrophobicContact CD1-CG 4.47Å; I452-L539 HydrophobicContact CD1-CD1 3.75Å; I452-L539 HydrophobicContact CG1-CB 4.01Å; I452-L539 HydrophobicContact CG1-CD1 3.98Å; I452-L539 HydrophobicContact CG2-CB 4.38Å; I452-P541 WeakPolarHBondContact O-CA 3.34Å; I452-G542 PolarHBondContact N-O 3.36Å; I452-G542 PolarHBondContact O-N 3.17Å; I452-A544 HydrophobicContact CD1-CB 4.19Å; I452-A544 HydrophobicContact CG1-CB 3.71Å |
| 453 | V | 94.7 | Very high | 93 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.024 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 153.1 | 172.3 | -55.8 | 0 | 0 | 0 | 0 | 111 | L438 L451 N457 S458 I527 L528 R529 | L438-V453 HydrophobicContact CD1-CG2 3.69Å; L451-V453 HydrophobicContact CD2-CG1 4.35Å; L451-V453 HydrophobicContact CG-CG1 4.39Å; V453-N457 HydrophobicContact CG2-CB 4.44Å; V453-S458 CarbonylContact C-O 3.59Å; V453-S458 VanDerWaalsContact CA-O 3.27Å; V453-S458 WeakPolarHBondContact CA-O 3.41Å; V453-I527 HydrophobicContact CG1-CG2 3.82Å; V453-I527 HydrophobicContact CG2-CG2 4.32Å; V453-L528 PolarHBondContact N-O 3.38Å; V453-R529 HydrophobicContact CG2-CB 3.71Å; V453-R529 HydrophobicContact CG2-CG 4.04Å |
| 454 | D | 91.2 | Very high | 93 | Very high | 48 Ų | 48 | 43 Ų | 43 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | trans | -76.7 | -175.5 | 175.1 | 73.7 | 13.9 | 0 | 0 | 0 | 112.7 | N456 N457 S458 R529 | D454-N456 PolarHBondContact O-N 3.16Å; D454-N456 VanDerWaalsContact O-N 3.16Å; D454-N456 WeakPolarHBondContact OD1-CA 3.31Å; D454-N456 WeakPolarHBondContact OD1-CB 3.2Å; D454-N456 PolarHBondContact OD1-N 3.39Å; D454-N457 PolarHBondContact O-N 3.17Å; D454-N457 PolarHBondContact OD1-N 3.3Å; D454-S458 PolarHBondContact N-O 3.35Å; D454-S458 PolarHBondContact OD1-N 3.16Å; D454-R529 VanDerWaalsContact O-CD 3.3Å; D454-R529 WeakPolarHBondContact O-CD 3.48Å; D454-R529 WeakPolarHBondContact O-CG 3.34Å | ||
| 455 | A | 88.5 | Confident | 93.2 | Very high | 72 Ų | 72 | 38.3 Ų | 38.3 | 60% | 0.595 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -27.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N457 | A455-N457 VanDerWaalsContact C-N 3.33Š|
| 456 | N | 90.6 | Very high | 93.2 | Very high | 134 Ų | 134 | 37.2 Ų | 37.2 | 72% | 0.717 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | 5.5 | 179.7 | -62.9 | -36.3 | 0 | 0 | 0 | 112.9 | D454 | D454-N456 PolarHBondContact O-N 3.16Å; D454-N456 VanDerWaalsContact O-N 3.16Å; D454-N456 WeakPolarHBondContact OD1-CA 3.31Å; D454-N456 WeakPolarHBondContact OD1-CB 3.2Å; D454-N456 PolarHBondContact OD1-N 3.39Å |
| 457 | N | 92.9 | Very high | 93.3 | Very high | 71 Ų | 71 | 34.4 Ų | 34.4 | 38% | 0.38 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 63.9 | 25.2 | -169.3 | -55.3 | -22.7 | 0 | 0 | 0 | 113.8 | V453 D454 A455 R529 | V453-N457 HydrophobicContact CG2-CB 4.44Å; D454-N457 PolarHBondContact O-N 3.17Å; D454-N457 PolarHBondContact OD1-N 3.3Å; A455-N457 VanDerWaalsContact C-N 3.33Å; N457-R529 WeakPolarHBondContact OD1-CD 3.4Å; N457-R529 PolarHBondContact OD1-NH1 3.38Å |
| 458 | S | 93.1 | Very high | 93.3 | Very high | 58 Ų | 58 | 34.7 Ų | 34.7 | 41% | 0.406 | 20% | 0.204 | S | C | . | . | trans | -92.5 | 150.5 | 174.6 | -62.2 | 0 | 0 | 0 | 0 | 111 | V453 D454 | V453-S458 CarbonylContact C-O 3.59Å; V453-S458 VanDerWaalsContact CA-O 3.27Å; V453-S458 WeakPolarHBondContact CA-O 3.41Å; D454-S458 PolarHBondContact N-O 3.35Å; D454-S458 PolarHBondContact OD1-N 3.16Å | ||
| 459 | T | 93.6 | Very high | 93.1 | Very high | 37 Ų | 37 | 34.5 Ų | 34.5 | 23% | 0.227 | 20% | 0.202 | C | C | . | . | trans | -134.2 | 168.8 | 174.9 | -161.6 | 0 | 0 | 0 | 0 | 110.2 | L451 I452 I461 L464 G542 | L451-T459 HydrophobicContact CD1-CG2 4.13Å; L451-T459 HydrophobicContact CD2-CG2 4.44Å; I452-T459 PolarHBondContact O-OG1 2.77Å; T459-I461 PolarHBondContact O-N 2.99Å; T459-L464 HydrophobicContact CG2-CD1 3.91Å; T459-L464 HydrophobicContact CG2-CG 4.07Å; T459-G542 WeakPolarHBondContact OG1-CA 3.42Å; T459-G542 PolarHBondContact OG1-N 3.35Å | ||
| 460 | N | 92.4 | Very high | 92.9 | Very high | 51 Ų | 51 | 41.7 Ų | 41.7 | 27% | 0.273 | 24% | 0.24 | S | C | . | . | trans | -68.6 | 120.4 | 176.5 | -173.6 | -44.1 | 0 | 0 | 0 | 109.8 | N395 N462 S463 P541 | N395-N460 HydrophobicContact CB-CB 4.46Å; N395-N460 PolarHBondContact O-ND2 2.92Å; N460-N462 PolarHBondContact O-N 3.05Å; N460-N462 VanDerWaalsContact OD1-CB 3.28Å; N460-N462 WeakPolarHBondContact OD1-CB 3.45Å; N460-N462 PolarHBondContact OD1-N 3.01Å; N460-S463 VanDerWaalsContact O-CB 3.27Å; N460-S463 WeakPolarHBondContact O-CB 3.48Å; N460-S463 PolarHBondContact O-N 2.87Å; N460-S463 PolarHBondContact O-OG 2.79Å; N460-P541 WeakPolarHBondContact CB-O 3.39Å | ||
| 461 | I | 93.2 | Very high | 92.6 | Very high | 40 Ų | 40 | 42.1 Ų | 42.1 | 21% | 0.205 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.1 | -36.5 | 179.5 | -168.7 | 176.3 | 0 | 0 | 0 | 112.9 | T459 S463 L464 K465 V471 D473 | T459-I461 PolarHBondContact O-N 2.99Å; I461-S463 VanDerWaalsContact C-N 3.26Å; I461-S463 PolarHBondContact O-N 3.37Å; I461-L464 PolarHBondContact O-N 3.07Å; I461-L464 VanDerWaalsContact O-N 3.13Å; I461-K465 HydrophobicContact CD1-CD 4.44Å; I461-K465 HydrophobicContact CG1-CD 4.19Å; I461-K465 HydrophobicContact CG1-CG 4.35Å; I461-K465 PolarHBondContact O-N 3.47Å; I461-V471 HydrophobicContact CD1-CG2 4.47Å; I461-V471 HydrophobicContact CG1-CG2 3.81Å; I461-D473 HydrophobicContact CD1-CB 4.48Å |
| 462 | N | 92 | Very high | 92.4 | Very high | 30 Ų | 30 | 49.3 Ų | 49.3 | 16% | 0.16 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.7 | -28.7 | 179.9 | -60.8 | -35.8 | 0 | 0 | 0 | 111.6 | N395 N460 L464 K465 N466 | N395-N462 WeakPolarHBondContact O-CB 3.33Å; N395-N462 PolarHBondContact O-ND2 3.11Å; N460-N462 PolarHBondContact O-N 3.05Å; N460-N462 VanDerWaalsContact OD1-CB 3.28Å; N460-N462 WeakPolarHBondContact OD1-CB 3.45Å; N460-N462 PolarHBondContact OD1-N 3.01Å; N462-L464 PolarHBondContact O-N 2.94Å; N462-K465 PolarHBondContact O-N 3.03Å; N462-N466 WeakPolarHBondContact O-CB 3.39Å; N462-N466 PolarHBondContact O-N 2.81Å; N462-N466 PolarHBondContact O-ND2 2.93Å; N462-N466 VanDerWaalsContact O-ND2 3.1Å |
| 463 | S | 92 | Very high | 92.2 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.007 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.8 | -33.1 | 174.2 | 77.8 | 0 | 0 | 0 | 0 | 112.4 | S394 N395 N460 I461 L467 | S394-S463 WeakPolarHBondContact O-CA 3.3Å; N395-S463 VanDerWaalsContact OD1-CB 3.26Å; N395-S463 WeakPolarHBondContact OD1-CB 3.23Å; N460-S463 VanDerWaalsContact O-CB 3.27Å; N460-S463 WeakPolarHBondContact O-CB 3.48Å; N460-S463 PolarHBondContact O-N 2.87Å; N460-S463 PolarHBondContact O-OG 2.79Å; I461-S463 VanDerWaalsContact C-N 3.26Å; I461-S463 PolarHBondContact O-N 3.37Å; S463-L467 WeakPolarHBondContact O-CG 3.49Å |
| 464 | L | 94.1 | Very high | 92 | Very high | 12 Ų | 12 | 62.3 Ų | 62.3 | 6% | 0.063 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -82.6 | -46 | 176.4 | -61 | -179.4 | 0 | 0 | 0 | 111 | L451 T459 I461 N462 N466 L467 G468 F469 V471 V477 I482 | L451-L464 HydrophobicContact CD1-CD2 4.28Å; L451-L464 HydrophobicContact CD2-CD2 4.38Å; T459-L464 HydrophobicContact CG2-CD1 3.91Å; T459-L464 HydrophobicContact CG2-CG 4.07Å; I461-L464 PolarHBondContact O-N 3.07Å; I461-L464 VanDerWaalsContact O-N 3.13Å; N462-L464 PolarHBondContact O-N 2.94Å; L464-N466 VanDerWaalsContact C-N 3.34Å; L464-N466 PolarHBondContact O-N 3.12Å; L464-L467 CarbonylContact O-C 3.51Å; L464-L467 WeakPolarHBondContact O-CA 3.44Å; L464-L467 WeakPolarHBondContact O-CB 3.29Å; L464-L467 PolarHBondContact O-N 3.45Å; L464-G468 PolarHBondContact O-N 3.46Å; L464-F469 HydrophobicContact CB-CB 4.04Å; L464-F469 HydrophobicContact CB-CD2 4.14Å; L464-F469 HydrophobicContact CB-CG 4.41Å; L464-F469 HydrophobicContact CD2-CD2 4.14Å; L464-F469 HydrophobicContact CD2-CE2 4.41Å; L464-F469 WeakPolarHBondContact O-CB 3.38Å; L464-F469 WeakPolarHBondContact O-CD2 3.36Å; L464-F469 PolarHBondContact O-N 2.92Å; L464-V471 HydrophobicContact CB-CG2 3.93Å; L464-V471 HydrophobicContact CD1-CG2 4.36Å; L464-V477 HydrophobicContact CD1-CG2 4.49Å; L464-I482 HydrophobicContact CD2-CD1 4.29Å |
| 465 | K | 93.4 | Very high | 92.1 | Very high | 91 Ų | 91 | 64.8 Ų | 64.8 | 40% | 0.396 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 177.3 | -72.1 | -178.3 | 173.8 | 178.4 | 0 | 112.8 | I461 N462 L467 G468 V471 | I461-K465 HydrophobicContact CD1-CD 4.44Å; I461-K465 HydrophobicContact CG1-CD 4.19Å; I461-K465 HydrophobicContact CG1-CG 4.35Å; I461-K465 PolarHBondContact O-N 3.47Å; N462-K465 PolarHBondContact O-N 3.03Å; K465-L467 PolarHBondContact O-N 3.15Å; K465-G468 WeakPolarHBondContact O-CA 3.24Å; K465-G468 PolarHBondContact O-N 3.42Å; K465-V471 WeakPolarHBondContact CE-O 3.48Å; K465-V471 HydrophobicContact CG-CG2 4.02Å |
| 466 | N | 92.1 | Very high | 92.2 | Very high | 19 Ų | 19 | 70.9 Ų | 70.9 | 10% | 0.102 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -21.2 | 176.3 | -73.1 | -28.7 | 0 | 0 | 0 | 112.6 | V391 K392 S394 D396 N462 L464 G468 | V391-N466 CarbonylContact C-O 3.59Å; V391-N466 VanDerWaalsContact CA-O 3.28Å; V391-N466 WeakPolarHBondContact CA-O 3.41Å; V391-N466 VanDerWaalsContact CB-O 3.25Å; V391-N466 WeakPolarHBondContact CB-O 3.5Å; K392-N466 HydrophobicContact CB-CB 4.3Å; K392-N466 PolarHBondContact N-O 3.41Å; K392-N466 WeakPolarHBondContact O-CB 3.5Å; S394-N466 PolarHBondContact O-ND2 3.48Å; D396-N466 PolarHBondContact O-ND2 3.38Å; N462-N466 WeakPolarHBondContact O-CB 3.39Å; N462-N466 PolarHBondContact O-N 2.81Å; N462-N466 PolarHBondContact O-ND2 2.93Å; N462-N466 VanDerWaalsContact O-ND2 3.1Å; L464-N466 VanDerWaalsContact C-N 3.34Å; L464-N466 PolarHBondContact O-N 3.12Å; N466-G468 VanDerWaalsContact C-N 3.34Å |
| 467 | L | 93.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -1.6 | 169.5 | -78.4 | -179 | 0 | 0 | 0 | 113.4 | R382 V391 L393 S463 L464 K465 F469 F487 I524 I543 | R382-L467 WeakPolarHBondContact CD-O 3.21Å; R382-L467 PolarHBondContact NH1-O 2.71Å; V391-L467 HydrophobicContact CG2-CD2 4.47Å; L393-L467 HydrophobicContact CD2-CD2 3.67Å; L393-L467 HydrophobicContact CD2-CG 4.42Å; S463-L467 WeakPolarHBondContact O-CG 3.49Å; L464-L467 CarbonylContact O-C 3.51Å; L464-L467 WeakPolarHBondContact O-CA 3.44Å; L464-L467 WeakPolarHBondContact O-CB 3.29Å; L464-L467 PolarHBondContact O-N 3.45Å; K465-L467 PolarHBondContact O-N 3.15Å; L467-F469 HydrophobicContact CB-CD2 3.83Å; L467-F469 HydrophobicContact CB-CE2 3.93Å; L467-F469 HydrophobicContact CD1-CE2 4.16Å; L467-F487 HydrophobicContact CD2-CD1 4.31Å; L467-F487 HydrophobicContact CD2-CE1 4.15Å; L467-I524 HydrophobicContact CD1-CD1 3.87Å; L467-I543 HydrophobicContact CD1-CD1 3.55Å; L467-I543 HydrophobicContact CD1-CG1 3.59Å; L467-I543 HydrophobicContact CG-CG1 4.41Å |
| 468 | G | 91.8 | Very high | 92.3 | Very high | 29 Ų | 29 | 67 Ų | 67 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 14.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L464 K465 N466 | L464-G468 PolarHBondContact O-N 3.46Å; K465-G468 WeakPolarHBondContact O-CA 3.24Å; K465-G468 PolarHBondContact O-N 3.42Å; N466-G468 VanDerWaalsContact C-N 3.34Å |
| 469 | F | 92.5 | Very high | 92.4 | Very high | 24 Ų | 24 | 67.5 Ų | 67.5 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | trans | -77.9 | 126.3 | 169.2 | -65.8 | -82.3 | 0 | 0 | 0 | 110.2 | R382 L464 L467 V471 K481 I482 T485 | R382-F469 VanDerWaalsContact NH1-CZ 3.34Å; L464-F469 HydrophobicContact CB-CB 4.04Å; L464-F469 HydrophobicContact CB-CD2 4.14Å; L464-F469 HydrophobicContact CB-CG 4.41Å; L464-F469 HydrophobicContact CD2-CD2 4.14Å; L464-F469 HydrophobicContact CD2-CE2 4.41Å; L464-F469 WeakPolarHBondContact O-CB 3.38Å; L464-F469 WeakPolarHBondContact O-CD2 3.36Å; L464-F469 PolarHBondContact O-N 2.92Å; L467-F469 HydrophobicContact CB-CD2 3.83Å; L467-F469 HydrophobicContact CB-CE2 3.93Å; L467-F469 HydrophobicContact CD1-CE2 4.16Å; F469-V471 HydrophobicContact CB-CG1 4.06Å; F469-V471 PolarHBondContact O-N 3.47Å; F469-K481 WeakPolarHBondContact CE1-O 3.36Å; F469-I482 HydrophobicContact CE1-CG1 4.46Å; F469-I482 HydrophobicContact CZ-CG1 4.4Å; F469-T485 HydrophobicContact CZ-CG2 4.2Å; F469-T485 WeakPolarHBondContact CZ-OG1 3.29Å | ||
| 470 | D | 90.4 | Very high | 92.3 | Very high | 150 Ų | 150 | 72.8 Ų | 72.8 | 80% | 0.802 | 37% | 0.369 | S | S | * | . | trans | -82 | 98 | 170 | -173 | 20.9 | 0 | 0 | 0 | 109.2 | ||||
| 471 | V | 91.8 | Very high | 92.3 | Very high | 9 Ų | 9 | 76.4 Ų | 76.4 | 6% | 0.055 | 38% | 0.382 | C | S | . | . | trans | -132.3 | 138.7 | -176.5 | -66.5 | 0 | 0 | 0 | 0 | 110.5 | I461 L464 K465 F469 V477 | I461-V471 HydrophobicContact CD1-CG2 4.47Å; I461-V471 HydrophobicContact CG1-CG2 3.81Å; L464-V471 HydrophobicContact CB-CG2 3.93Å; L464-V471 HydrophobicContact CD1-CG2 4.36Å; K465-V471 WeakPolarHBondContact CE-O 3.48Å; K465-V471 HydrophobicContact CG-CG2 4.02Å; F469-V471 HydrophobicContact CB-CG1 4.06Å; F469-V471 PolarHBondContact O-N 3.47Å; V471-V477 HydrophobicContact CB-CG2 4.47Å; V471-V477 HydrophobicContact CG1-CG2 3.5Å; V471-V477 VanDerWaalsContact CG1-CG2 3.5Å | ||
| 472 | K | 92 | Very high | 92.4 | Very high | 154 Ų | 154 | 74.8 Ų | 74.8 | 67% | 0.67 | 37% | 0.374 | S | S | * | . | trans | -91.7 | 163.5 | 172.7 | -63.4 | 176.1 | -174.1 | 173.1 | 0 | 110.8 | D474 E475 | K472-D474 PolarHBondContact O-N 3.19Å; K472-E475 HydrophobicContact CB-CB 4.2Å; K472-E475 PolarHBondContact N-OE2 3.43Å; K472-E475 WeakPolarHBondContact O-CB 3.34Å; K472-E475 PolarHBondContact O-N 3.3Å; K472-E475 VanDerWaalsContact O-N 3.12Å | ||
| 473 | D | 91.8 | Very high | 92.5 | Very high | 130 Ų | 130 | 75 Ų | 75 | 70% | 0.695 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 137 | 172.6 | -161.6 | 29.5 | 0 | 0 | 0 | 110.1 | I461 E475 | I461-D473 HydrophobicContact CD1-CB 4.48Å; D473-E475 PolarHBondContact O-N 2.9Å; D473-E475 VanDerWaalsContact O-N 3.08Å |
| 474 | D | 90.4 | Very high | 92.7 | Very high | 148 Ų | 148 | 76.4 Ų | 76.4 | 79% | 0.791 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 13.5 | -172.5 | -64.5 | -37.1 | 0 | 0 | 0 | 116.5 | K472 K476 | K472-D474 PolarHBondContact O-N 3.19Å; D474-K476 PolarHBondContact O-N 3.27Å |
| 475 | E | 92.7 | Very high | 92.8 | Very high | 100 Ų | 100 | 76.5 Ų | 76.5 | 47% | 0.467 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 130 | 175.3 | -172.2 | 173 | 170.1 | 0 | 0 | 111.5 | K472 D473 V477 | K472-E475 HydrophobicContact CB-CB 4.2Å; K472-E475 PolarHBondContact N-OE2 3.43Å; K472-E475 WeakPolarHBondContact O-CB 3.34Å; K472-E475 PolarHBondContact O-N 3.3Å; K472-E475 VanDerWaalsContact O-N 3.12Å; D473-E475 PolarHBondContact O-N 2.9Å; D473-E475 VanDerWaalsContact O-N 3.08Å; E475-V477 PolarHBondContact O-N 2.93Å |
| 476 | K | 91 | Very high | 92.9 | Very high | 200 Ų | 200 | 76.2 Ų | 76.2 | 87% | 0.87 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -82.1 | 116.4 | 176.9 | -65.9 | -177.5 | -179.3 | 179.1 | 0 | 110.2 | D474 | D474-K476 PolarHBondContact O-N 3.27Š|
| 477 | V | 92 | Very high | 93 | Very high | 34 Ų | 34 | 75.3 Ų | 75.3 | 21% | 0.206 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -103.6 | 127.2 | 176.1 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | L464 V471 E475 K481 I482 | L464-V477 HydrophobicContact CD1-CG2 4.49Å; V471-V477 HydrophobicContact CB-CG2 4.47Å; V471-V477 HydrophobicContact CG1-CG2 3.5Å; V471-V477 VanDerWaalsContact CG1-CG2 3.5Å; E475-V477 PolarHBondContact O-N 2.93Å; V477-K481 HydrophobicContact CG1-CB 4.31Å; V477-I482 HydrophobicContact CB-CD1 4.15Å; V477-I482 HydrophobicContact CG1-CD1 3.78Å; V477-I482 HydrophobicContact CG1-CG1 3.78Å |
| 478 | D | 93.9 | Very high | 93.1 | Very high | 91 Ų | 91 | 77.1 Ų | 77.1 | 49% | 0.487 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 138 | 176.3 | -56 | -57.4 | 0 | 0 | 0 | 111 | D480 K481 | D478-D480 PolarHBondContact O-N 3.49Å; D478-K481 HydrophobicContact CB-CD 4.22Å; D478-K481 HydrophobicContact CB-CG 4.3Å; D478-K481 WeakPolarHBondContact O-CB 3.44Å; D478-K481 PolarHBondContact O-N 3.49Å; D478-K481 WeakPolarHBondContact OD2-CE 3.45Å; D478-K481 IonicContact OD2-NZ 2.92Å; D478-K481 PolarHBondContact OD2-NZ 2.95Å |
| 479 | F | 94.1 | Very high | 93.3 | Very high | 68 Ų | 68 | 75.9 Ų | 75.9 | 30% | 0.298 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.2 | -34.7 | -179.2 | -68.6 | -12.4 | 0 | 0 | 0 | 113 | L438 A439 K481 I482 V483 I527 | L438-F479 HydrophobicContact CB-CE2 3.87Å; L438-F479 HydrophobicContact CB-CZ 4.35Å; L438-F479 HydrophobicContact CD1-CE2 4.26Å; L438-F479 HydrophobicContact CD1-CZ 3.96Å; A439-F479 HydrophobicContact CB-CB 3.84Å; A439-F479 HydrophobicContact CB-CD2 3.77Å; A439-F479 HydrophobicContact CB-CG 4.11Å; F479-K481 PolarHBondContact O-N 3.44Å; F479-I482 PolarHBondContact O-N 3.31Å; F479-V483 PolarHBondContact O-N 2.89Å; F479-I527 HydrophobicContact CB-CD1 3.72Å; F479-I527 HydrophobicContact CD1-CD1 3.33Å; F479-I527 HydrophobicContact CD2-CD1 4.41Å; F479-I527 HydrophobicContact CE1-CD1 4Å; F479-I527 HydrophobicContact CG-CD1 3.57Å |
| 480 | D | 92.3 | Very high | 93.4 | Very high | 148 Ų | 148 | 74.7 Ų | 74.7 | 79% | 0.791 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -67.9 | -19.4 | 179.5 | -59.9 | -33.3 | 0 | 0 | 0 | 113.3 | D478 I482 | D478-D480 PolarHBondContact O-N 3.49Å; D480-I482 VanDerWaalsContact C-N 3.33Å |
| 481 | K | 92.1 | Very high | 93.5 | Very high | 127 Ų | 127 | 69.3 Ų | 69.3 | 55% | 0.552 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -79.9 | -19.9 | 173.4 | -67.4 | 173.8 | 176.6 | 151 | 0 | 112.4 | F469 V477 D478 F479 T485 | F469-K481 WeakPolarHBondContact CE1-O 3.36Å; V477-K481 HydrophobicContact CG1-CB 4.31Å; D478-K481 HydrophobicContact CB-CD 4.22Å; D478-K481 HydrophobicContact CB-CG 4.3Å; D478-K481 WeakPolarHBondContact O-CB 3.44Å; D478-K481 PolarHBondContact O-N 3.49Å; D478-K481 WeakPolarHBondContact OD2-CE 3.45Å; D478-K481 IonicContact OD2-NZ 2.92Å; D478-K481 PolarHBondContact OD2-NZ 2.95Å; F479-K481 PolarHBondContact O-N 3.44Å; K481-T485 PolarHBondContact O-OG1 2.91Å |
| 482 | I | 94.2 | Very high | 93.6 | Very high | 6 Ų | 6 | 69.1 Ų | 69.1 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -101.2 | -54.4 | -175.7 | -57.9 | 176.8 | 0 | 0 | 0 | 109.9 | L451 L464 F469 V477 F479 D480 G484 T485 I524 I527 | L451-I482 HydrophobicContact CD2-CD1 3.88Å; L451-I482 HydrophobicContact CD2-CG2 3.99Å; L464-I482 HydrophobicContact CD2-CD1 4.29Å; F469-I482 HydrophobicContact CE1-CG1 4.46Å; F469-I482 HydrophobicContact CZ-CG1 4.4Å; V477-I482 HydrophobicContact CB-CD1 4.15Å; V477-I482 HydrophobicContact CG1-CD1 3.78Å; V477-I482 HydrophobicContact CG1-CG1 3.78Å; F479-I482 PolarHBondContact O-N 3.31Å; D480-I482 VanDerWaalsContact C-N 3.33Å; I482-G484 PolarHBondContact O-N 2.83Å; I482-T485 VanDerWaalsContact O-CB 3.26Å; I482-T485 WeakPolarHBondContact O-CB 3.42Å; I482-T485 PolarHBondContact O-N 3.4Å; I482-T485 VanDerWaalsContact O-N 3.09Å; I482-T485 PolarHBondContact O-OG1 2.93Å; I482-I524 HydrophobicContact CG2-CD1 3.93Å; I482-I524 HydrophobicContact CG2-CG2 4.22Å; I482-I527 HydrophobicContact CB-CD1 4.29Å; I482-I527 HydrophobicContact CD1-CD1 4.44Å; I482-I527 HydrophobicContact CG2-CD1 4.42Å |
| 483 | V | 95.8 | Very high | 93.7 | Very high | 34 Ų | 34 | 65.6 Ų | 65.6 | 21% | 0.206 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 130 | -179.4 | 177.9 | 0 | 0 | 0 | 0 | 109.3 | A439 F479 I527 | A439-V483 HydrophobicContact CB-CG2 3.98Å; F479-V483 PolarHBondContact O-N 2.89Å; V483-I527 HydrophobicContact CG2-CD1 3.86Å; V483-I527 HydrophobicContact CG2-CG1 3.74Å |
| 484 | G | 95.2 | Very high | 93.7 | Very high | 31 Ų | 31 | 63.2 Ų | 63.2 | 32% | 0.32 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | -4.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I482 E486 I524 | I482-G484 PolarHBondContact O-N 2.83Å; G484-E486 PolarHBondContact O-N 3.34Å; G484-I524 PolarHBondContact N-O 3.26Å |
| 485 | T | 95.8 | Very high | 93.8 | Very high | 14 Ų | 14 | 57.6 Ų | 57.6 | 9% | 0.086 | 29% | 0.287 | C | S | . | . | trans | -59.1 | 126.9 | 171.8 | -60.9 | 0 | 0 | 0 | 0 | 110.2 | F469 K481 I482 K523 I524 | F469-T485 HydrophobicContact CZ-CG2 4.2Å; F469-T485 WeakPolarHBondContact CZ-OG1 3.29Å; K481-T485 PolarHBondContact O-OG1 2.91Å; I482-T485 VanDerWaalsContact O-CB 3.26Å; I482-T485 WeakPolarHBondContact O-CB 3.42Å; I482-T485 PolarHBondContact O-N 3.4Å; I482-T485 VanDerWaalsContact O-N 3.09Å; I482-T485 PolarHBondContact O-OG1 2.93Å; T485-K523 WeakPolarHBondContact O-CA 3.2Å; T485-I524 HydrophobicContact CG2-CD1 4.39Å; T485-I524 PolarHBondContact O-N 3.24Å | ||
| 486 | E | 95.3 | Very high | 93.9 | Very high | 85 Ų | 85 | 53.7 Ų | 53.7 | 40% | 0.397 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 143 | -178.5 | -73.7 | 174.7 | -169.6 | 0 | 0 | 111.3 | G484 T521 L522 K523 | G484-E486 PolarHBondContact O-N 3.34Å; E486-T521 HydrophobicContact CB-CG2 4.05Å; E486-T521 HydrophobicContact CG-CG2 4.18Å; E486-L522 VanDerWaalsContact CA-O 3.3Å; E486-L522 WeakPolarHBondContact CA-O 3.37Å; E486-K523 HydrophobicContact CG-CB 4.11Å; E486-K523 HydrophobicContact CG-CD 4.15Å; E486-K523 HydrophobicContact CG-CG 3.9Å; E486-K523 WeakPolarHBondContact OE1-CE 3.1Å; E486-K523 IonicContact OE1-NZ 2.94Å; E486-K523 PolarHBondContact OE1-NZ 3.11Å |
| 487 | F | 94.3 | Very high | 94 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 150 | 175.1 | 42.2 | -88.1 | 0 | 0 | 0 | 110 | L380 L381 R382 V391 L393 V449 L467 L522 I524 | L380-F487 HydrophobicContact CB-CD2 4.48Å; L380-F487 HydrophobicContact CD1-CD2 3.93Å; L380-F487 HydrophobicContact CD1-CE2 3.92Å; L380-F487 HydrophobicContact CD2-CD2 4.09Å; L380-F487 HydrophobicContact CD2-CE2 4.47Å; L380-F487 HydrophobicContact CG-CD2 4.4Å; L381-F487 CarbonylContact O-C 3.6Å; L381-F487 WeakPolarHBondContact O-CA 3.33Å; L381-F487 WeakPolarHBondContact O-CB 3.5Å; R382-F487 HydrophobicContact CB-CB 4.27Å; V391-F487 HydrophobicContact CG2-CB 4.33Å; L393-F487 HydrophobicContact CD1-CE2 4.36Å; L393-F487 HydrophobicContact CD2-CE2 4.13Å; L393-F487 HydrophobicContact CD2-CZ 3.96Å; V449-F487 HydrophobicContact CG1-CZ 4.32Å; V449-F487 HydrophobicContact CG2-CE1 4.23Å; V449-F487 HydrophobicContact CG2-CZ 3.7Å; L467-F487 HydrophobicContact CD2-CD1 4.31Å; L467-F487 HydrophobicContact CD2-CE1 4.15Å; F487-L522 HydrophobicContact CD2-CB 3.52Å; F487-L522 HydrophobicContact CD2-CD2 4.09Å; F487-L522 HydrophobicContact CD2-CG 4.43Å; F487-L522 HydrophobicContact CE2-CB 3.23Å; F487-L522 HydrophobicContact CE2-CD2 3.52Å; F487-L522 HydrophobicContact CE2-CG 4.02Å; F487-L522 HydrophobicContact CG-CB 4.36Å; F487-L522 HydrophobicContact CZ-CB 3.83Å; F487-L522 HydrophobicContact CZ-CD2 4.5Å; F487-L522 PolarHBondContact N-O 3.37Å; F487-L522 PolarHBondContact O-N 3.5Å; F487-I524 HydrophobicContact CE1-CG1 4.03Å |
| 488 | K | 95.9 | Very high | 94 | Very high | 38 Ų | 38 | 51.1 Ų | 51.1 | 17% | 0.165 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 129.5 | -176.6 | -68.8 | -68.6 | -168.2 | 176.7 | 0 | 110.3 | L380 L381 I490 Y514 D520 T521 | L380-K488 CarbonylContact C-O 3.55Å; L380-K488 VanDerWaalsContact CA-O 3.3Å; L380-K488 WeakPolarHBondContact CA-O 3.5Å; L381-K488 PolarHBondContact N-O 2.84Å; L381-K488 PolarHBondContact O-N 3.44Å; K488-I490 HydrophobicContact CB-CD1 3.78Å; K488-Y514 HydrophobicContact CB-CD2 3.86Å; K488-Y514 HydrophobicContact CB-CE2 4.09Å; K488-Y514 WeakPolarHBondContact CE-O 3.33Å; K488-Y514 HydrophobicContact CG-CD1 4.4Å; K488-Y514 HydrophobicContact CG-CD2 3.47Å; K488-Y514 VanDerWaalsContact CG-CD2 3.47Å; K488-Y514 HydrophobicContact CG-CE1 4.39Å; K488-Y514 HydrophobicContact CG-CE2 3.47Å; K488-Y514 VanDerWaalsContact CG-CE2 3.47Å; K488-Y514 HydrophobicContact CG-CG 3.95Å; K488-D520 WeakPolarHBondContact CA-O 3.27Å; K488-T521 PolarHBondContact NZ-OG1 2.72Å |
| 489 | L | 95.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 116 | 170.5 | 169.8 | 69 | 0 | 0 | 0 | 108.9 | M378 L380 N519 D520 L522 L549 I553 | M378-L489 HydrophobicContact CB-CD1 4.42Å; L380-L489 HydrophobicContact CD2-CB 3.86Å; L380-L489 HydrophobicContact CD2-CD1 3.72Å; L380-L489 HydrophobicContact CD2-CG 4.42Å; L489-N519 WeakPolarHBondContact O-CB 3.47Å; L489-D520 HydrophobicContact CB-CB 4.34Å; L489-D520 HydrophobicContact CD2-CB 4.33Å; L489-D520 PolarHBondContact N-O 2.94Å; L489-D520 PolarHBondContact O-N 3.26Å; L489-L522 HydrophobicContact CB-CD1 3.47Å; L489-L522 VanDerWaalsContact CB-CD1 3.47Å; L489-L522 HydrophobicContact CB-CD2 4.49Å; L489-L522 HydrophobicContact CD2-CD1 4.01Å; L489-L522 HydrophobicContact CG-CD1 4.38Å; L489-L549 HydrophobicContact CD2-CD1 4.38Å; L489-I553 HydrophobicContact CD1-CD1 4.03Å; L489-I553 HydrophobicContact CD1-CG1 4.18Å; L489-I553 HydrophobicContact CD2-CD1 3.97Å; L489-I553 HydrophobicContact CD2-CG1 3.58Å; L489-I553 HydrophobicContact CG-CG1 4.48Å |
| 490 | I | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -99.5 | 124.2 | -173.6 | -43.9 | -58.4 | 0 | 0 | 0 | 109.8 | N379 L381 K488 E494 Y495 M513 N519 | N379-I490 HydrophobicContact CB-CB 4.23Å; N379-I490 WeakPolarHBondContact CB-O 3.21Å; N379-I490 PolarHBondContact ND2-O 2.97Å; N379-I490 VanDerWaalsContact ND2-O 3.15Å; N379-I490 PolarHBondContact O-N 3.48Å; L381-I490 HydrophobicContact CD1-CD1 3.92Å; L381-I490 HydrophobicContact CD1-CG1 3.77Å; L381-I490 HydrophobicContact CG-CD1 4.28Å; L381-I490 HydrophobicContact CG-CG1 3.84Å; K488-I490 HydrophobicContact CB-CD1 3.78Å; I490-E494 HydrophobicContact CG2-CB 3.89Å; I490-Y495 HydrophobicContact CB-CD2 4.28Å; I490-Y495 HydrophobicContact CG2-CD2 4.35Å; I490-M513 HydrophobicContact CD1-CB 4.38Å; I490-M513 HydrophobicContact CG2-CB 4.4Å; I490-M513 HydrophobicContact CG2-SD 4.15Å; I490-N519 HydrophobicContact CD1-CB 4.08Å; I490-N519 VanDerWaalsContact CD1-ND2 3.3Å; I490-N519 WeakPolarHBondContact CD1-ND2 3.22Å | ||
| 491 | N | 93 | Very high | 93.3 | Very high | 37 Ų | 37 | 50.9 Ų | 50.9 | 20% | 0.198 | 27% | 0.274 | C | S | . | . | trans | -66.1 | 150.9 | 175.2 | -69.4 | -30.7 | 0 | 0 | 0 | 111.3 | N493 E494 Y495 | N491-N493 VanDerWaalsContact C-N 3.27Å; N491-N493 PolarHBondContact O-N 2.87Å; N491-E494 PolarHBondContact O-N 2.73Å; N491-Y495 PolarHBondContact O-N 3.1Å | ||
| 492 | N | 93.9 | Very high | 93 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.8 | -36.7 | -173.5 | -78.8 | -9.2 | 0 | 0 | 0 | 113.9 | N379 E494 Y495 Y496 N557 S560 I562 L591 | N379-N492 PolarHBondContact ND2-OD1 2.87Å; N492-E494 PolarHBondContact O-N 3.18Å; N492-Y495 PolarHBondContact O-N 3.08Å; N492-Y496 HydrophobicContact CB-CD2 4.11Å; N492-Y496 WeakPolarHBondContact O-CB 3.2Å; N492-Y496 WeakPolarHBondContact O-CD2 3.34Å; N492-Y496 PolarHBondContact O-N 3.27Å; N492-N557 VanDerWaalsContact CB-OD1 3.26Å; N492-N557 WeakPolarHBondContact CB-OD1 3.47Å; N492-N557 PolarHBondContact N-OD1 3.45Å; N492-S560 PolarHBondContact ND2-OG 3.31Å; N492-I562 HydrophobicContact CB-CG2 3.82Å; N492-L591 PolarHBondContact ND2-O 3.01Å |
| 493 | N | 93 | Very high | 92.9 | Very high | 81 Ų | 81 | 46.8 Ų | 46.8 | 43% | 0.433 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.7 | -28 | -179.8 | -74.2 | -9.5 | 0 | 0 | 0 | 112.7 | N491 S560 E561 | N491-N493 VanDerWaalsContact C-N 3.27Å; N491-N493 PolarHBondContact O-N 2.87Å; N493-S560 VanDerWaalsContact OD1-CA 3.24Å; N493-S560 WeakPolarHBondContact OD1-CA 3.42Å; N493-S560 VanDerWaalsContact OD1-CB 3.24Å; N493-S560 WeakPolarHBondContact OD1-CB 3.49Å; N493-E561 PolarHBondContact OD1-N 2.96Å |
| 494 | E | 92.1 | Very high | 92.8 | Very high | 80 Ų | 80 | 45.4 Ų | 45.4 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -89.4 | -34.9 | 177.6 | -50.2 | -57.8 | -136.8 | 0 | 0 | 111.1 | I490 N491 N492 N516 | I490-E494 HydrophobicContact CG2-CB 3.89Å; N491-E494 PolarHBondContact O-N 2.73Å; N492-E494 PolarHBondContact O-N 3.18Å; E494-N516 PolarHBondContact OE1-ND2 2.9Å |
| 495 | Y | 93.8 | Very high | 92.7 | Very high | 30 Ų | 30 | 47.7 Ų | 47.7 | 12% | 0.118 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -75.5 | -39.3 | -179.9 | -168.6 | -97.7 | 0 | 0 | 0 | 113.3 | N379 I490 N491 N492 P506 N507 M513 | N379-Y495 HydrophobicContact CB-CD1 4.01Å; N379-Y495 HydrophobicContact CB-CD2 3.63Å; N379-Y495 HydrophobicContact CB-CE1 4.31Å; N379-Y495 HydrophobicContact CB-CE2 3.96Å; N379-Y495 HydrophobicContact CB-CG 3.63Å; I490-Y495 HydrophobicContact CB-CD2 4.28Å; I490-Y495 HydrophobicContact CG2-CD2 4.35Å; N491-Y495 PolarHBondContact O-N 3.1Å; N492-Y495 PolarHBondContact O-N 3.08Å; Y495-P506 HydrophobicContact CD1-CB 4.47Å; Y495-P506 HydrophobicContact CE1-CB 3.83Å; Y495-P506 HydrophobicContact CE1-CG 4.18Å; Y495-P506 CarbonylContact O-C 3.55Å; Y495-P506 WeakPolarHBondContact O-CA 3.36Å; Y495-N507 PolarHBondContact O-N 3.14Å; Y495-M513 HydrophobicContact CD2-SD 4.24Å |
| 496 | Y | 94 | Very high | 92.5 | Very high | 17 Ų | 17 | 49.6 Ų | 49.6 | 7% | 0.067 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 129.4 | -178.1 | -62.5 | -78.3 | 0 | 0 | 0 | 111.3 | N379 N492 I505 P506 I562 M574 L591 | N379-Y496 PolarHBondContact OD1-OH 2.81Å; N492-Y496 HydrophobicContact CB-CD2 4.11Å; N492-Y496 WeakPolarHBondContact O-CB 3.2Å; N492-Y496 WeakPolarHBondContact O-CD2 3.34Å; N492-Y496 PolarHBondContact O-N 3.27Å; Y496-I505 CarbonylContact C-O 3.59Å; Y496-I505 WeakPolarHBondContact CA-O 3.34Å; Y496-P506 HydrophobicContact CD1-CG 4.36Å; Y496-P506 HydrophobicContact CE1-CG 4.11Å; Y496-I562 HydrophobicContact CD1-CD1 3.87Å; Y496-I562 HydrophobicContact CD2-CD1 3.85Å; Y496-I562 HydrophobicContact CD2-CG2 4.3Å; Y496-I562 HydrophobicContact CE1-CD1 4.3Å; Y496-I562 HydrophobicContact CE2-CD1 4.3Å; Y496-I562 HydrophobicContact CG-CD1 3.64Å; Y496-M574 HydrophobicContact CE1-SD 4.02Å; Y496-L591 HydrophobicContact CE2-CD2 4.45Å |
| 497 | S | 93 | Very high | 92.3 | Very high | 51 Ų | 51 | 48.1 Ų | 48.1 | 36% | 0.357 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 132.4 | 174.8 | -66 | 0 | 0 | 0 | 0 | 111 | F504 I505 | S497-F504 WeakPolarHBondContact O-CA 3.32Å; S497-I505 PolarHBondContact N-O 3.32Å; S497-I505 PolarHBondContact O-N 3.5Å |
| 498 | K | 92.8 | Very high | 92 | Very high | 130 Ų | 130 | 54.4 Ų | 54.4 | 57% | 0.565 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 124.9 | 173.3 | -171.3 | 177.8 | -178.3 | 176.6 | 0 | 110.4 | N503 F504 | K498-N503 CarbonylContact C-O 3.56Å; K498-N503 WeakPolarHBondContact CA-O 3.31Å; K498-F504 HydrophobicContact CB-CD1 4.15Å; K498-F504 HydrophobicContact CB-CE1 3.76Å; K498-F504 HydrophobicContact CB-CE2 4.43Å; K498-F504 HydrophobicContact CB-CZ 3.93Å; K498-F504 HydrophobicContact CD-CE2 4.32Å; K498-F504 HydrophobicContact CD-CZ 3.99Å; K498-F504 HydrophobicContact CG-CE1 4.33Å; K498-F504 HydrophobicContact CG-CE2 4.13Å; K498-F504 HydrophobicContact CG-CZ 3.99Å |
| 499 | I | 91.3 | Very high | 91.9 | Very high | 55 Ų | 55 | 56.6 Ų | 56.6 | 28% | 0.282 | 32% | 0.316 | S | S | . | . | trans | -93.3 | 161.7 | 174.2 | 57.7 | 164.9 | 0 | 0 | 0 | 111.4 | T501 G502 N503 I505 | I499-T501 VanDerWaalsContact CD1-OG1 3.32Å; I499-T501 WeakPolarHBondContact CD1-OG1 3.29Å; I499-T501 WeakPolarHBondContact CG1-OG1 3.39Å; I499-T501 PolarHBondContact O-N 3.27Å; I499-G502 PolarHBondContact O-N 3Å; I499-N503 HydrophobicContact CD1-CB 3.92Å; I499-N503 HydrophobicContact CG1-CB 3.77Å; I499-N503 VanDerWaalsContact CG1-O 3.25Å; I499-N503 WeakPolarHBondContact CG1-O 3.36Å; I499-N503 PolarHBondContact N-O 3.3Å; I499-I505 HydrophobicContact CD1-CG2 4.49Å; I499-I505 HydrophobicContact CG2-CD1 3.73Å; I499-I505 HydrophobicContact CG2-CG1 3.92Å | ||
| 500 | P | 87.6 | Confident | 91.8 | Very high | 144 Ų | 144 | 59.6 Ų | 59.6 | 94% | 0.935 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -23.2 | -175 | -28.8 | 36.5 | 0 | 0 | 0 | 115.6 | G502 | P500-G502 PolarHBondContact O-N 2.97Š|
| 501 | T | 86.3 | Confident | 91.6 | Very high | 103 Ų | 103 | 63.6 Ų | 63.6 | 63% | 0.632 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -7.2 | 175 | 63.1 | 0 | 0 | 0 | 0 | 113.2 | I499 N503 | I499-T501 VanDerWaalsContact CD1-OG1 3.32Å; I499-T501 WeakPolarHBondContact CD1-OG1 3.29Å; I499-T501 WeakPolarHBondContact CG1-OG1 3.39Å; I499-T501 PolarHBondContact O-N 3.27Å; T501-N503 VanDerWaalsContact C-N 3.35Å; T501-N503 PolarHBondContact OG1-OD1 3.15Å |
| 502 | G | 84.8 | Confident | 91.6 | Very high | 33 Ų | 33 | 64.4 Ų | 64.4 | 34% | 0.34 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 91.7 | -9.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | I499 P500 | I499-G502 PolarHBondContact O-N 3Å; P500-G502 PolarHBondContact O-N 2.97Å |
| 503 | N | 91.8 | Very high | 91.5 | Very high | 14 Ų | 14 | 64.5 Ų | 64.5 | 8% | 0.075 | 36% | 0.357 | C | S | . | . | trans | -74.7 | 162.6 | 177.3 | -68.1 | 93.5 | 0 | 0 | 0 | 112.6 | K498 I499 T501 V573 N576 | K498-N503 CarbonylContact C-O 3.56Å; K498-N503 WeakPolarHBondContact CA-O 3.31Å; I499-N503 HydrophobicContact CD1-CB 3.92Å; I499-N503 HydrophobicContact CG1-CB 3.77Å; I499-N503 VanDerWaalsContact CG1-O 3.25Å; I499-N503 WeakPolarHBondContact CG1-O 3.36Å; I499-N503 PolarHBondContact N-O 3.3Å; T501-N503 VanDerWaalsContact C-N 3.35Å; T501-N503 PolarHBondContact OG1-OD1 3.15Å; N503-V573 CarbonylContact C-O 3.58Å; N503-V573 WeakPolarHBondContact CA-O 3.17Å; N503-V573 WeakPolarHBondContact CB-O 3.42Å; N503-V573 PolarHBondContact ND2-O 3.28Å; N503-N576 PolarHBondContact ND2-ND2 3.09Å; N503-N576 VanDerWaalsContact ND2-ND2 3.11Å; N503-N576 PolarHBondContact ND2-OD1 3.07Å; N503-N576 PolarHBondContact OD1-ND2 3.49Å; N503-N576 VanDerWaalsContact OD1-ND2 3.09Å; N503-N576 PolarHBondContact OD1-OD1 3.13Å | ||
| 504 | F | 94.4 | Very high | 91.5 | Very high | 5 Ų | 5 | 62.4 Ų | 62.4 | 2% | 0.022 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 135.4 | 174.9 | -71.9 | -102.6 | 0 | 0 | 0 | 110.4 | S497 K498 E561 I562 A565 V573 | S497-F504 WeakPolarHBondContact O-CA 3.32Å; K498-F504 HydrophobicContact CB-CD1 4.15Å; K498-F504 HydrophobicContact CB-CE1 3.76Å; K498-F504 HydrophobicContact CB-CE2 4.43Å; K498-F504 HydrophobicContact CB-CZ 3.93Å; K498-F504 HydrophobicContact CD-CE2 4.32Å; K498-F504 HydrophobicContact CD-CZ 3.99Å; K498-F504 HydrophobicContact CG-CE1 4.33Å; K498-F504 HydrophobicContact CG-CE2 4.13Å; K498-F504 HydrophobicContact CG-CZ 3.99Å; F504-E561 HydrophobicContact CE1-CB 4.02Å; F504-E561 HydrophobicContact CZ-CB 4.11Å; F504-I562 HydrophobicContact CB-CD1 3.64Å; F504-I562 HydrophobicContact CB-CG1 3.97Å; F504-I562 HydrophobicContact CD1-CB 3.77Å; F504-I562 HydrophobicContact CD1-CD1 4.23Å; F504-I562 HydrophobicContact CD1-CG1 3.95Å; F504-I562 HydrophobicContact CD2-CB 4.47Å; F504-I562 HydrophobicContact CD2-CG1 4.04Å; F504-I562 HydrophobicContact CE1-CB 3.89Å; F504-I562 HydrophobicContact CE1-CG1 4.44Å; F504-I562 HydrophobicContact CG-CB 4.06Å; F504-I562 HydrophobicContact CG-CD1 3.94Å; F504-I562 HydrophobicContact CG-CG1 3.71Å; F504-I562 HydrophobicContact CZ-CB 4.31Å; F504-A565 HydrophobicContact CD2-CB 4.48Å; F504-A565 HydrophobicContact CE2-CB 3.5Å; F504-A565 HydrophobicContact CZ-CB 3.98Å; F504-V573 HydrophobicContact CD2-CB 4.03Å; F504-V573 HydrophobicContact CD2-CG2 3.99Å; F504-V573 PolarHBondContact N-O 3.03Å |
| 505 | I | 93.3 | Very high | 91.5 | Very high | 79 Ų | 79 | 63.5 Ų | 63.5 | 41% | 0.405 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 148.7 | 174 | 62.4 | 174.7 | 0 | 0 | 0 | 110.1 | Y496 S497 I499 | Y496-I505 CarbonylContact C-O 3.59Å; Y496-I505 WeakPolarHBondContact CA-O 3.34Å; S497-I505 PolarHBondContact N-O 3.32Å; S497-I505 PolarHBondContact O-N 3.5Å; I499-I505 HydrophobicContact CD1-CG2 4.49Å; I499-I505 HydrophobicContact CG2-CD1 3.73Å; I499-I505 HydrophobicContact CG2-CG1 3.92Å |
| 506 | P | 91.7 | Very high | 91.2 | Very high | 53 Ų | 53 | 63.9 Ų | 63.9 | 34% | 0.344 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 139.9 | 168.5 | -22.8 | 33.9 | 0 | 0 | 0 | 111.2 | Y495 Y496 | Y495-P506 HydrophobicContact CD1-CB 4.47Å; Y495-P506 HydrophobicContact CE1-CB 3.83Å; Y495-P506 HydrophobicContact CE1-CG 4.18Å; Y495-P506 CarbonylContact O-C 3.55Å; Y495-P506 WeakPolarHBondContact O-CA 3.36Å; Y496-P506 HydrophobicContact CD1-CG 4.36Å; Y496-P506 HydrophobicContact CE1-CG 4.11Å |
| 507 | N | 90.8 | Very high | 90.8 | Very high | 54 Ų | 54 | 67.5 Ų | 67.5 | 29% | 0.289 | 39% | 0.389 | S | S | . | . | trans | -72.6 | 144.9 | 172.4 | -170.3 | -5.6 | 0 | 0 | 0 | 110 | Y495 D509 Y510 M513 | Y495-N507 PolarHBondContact O-N 3.14Å; N507-D509 PolarHBondContact OD1-N 3.28Å; N507-D509 VanDerWaalsContact OD1-N 3.13Å; N507-Y510 VanDerWaalsContact O-CE1 3.24Å; N507-Y510 WeakPolarHBondContact O-CE1 3.46Å; N507-M513 HydrophobicContact CB-CE 3.8Å; N507-M513 HydrophobicContact CB-SD 3.88Å; N507-M513 WeakPolarHBondContact O-CE 3.34Å | ||
| 508 | N | 89 | Confident | 90.4 | Very high | 132 Ų | 132 | 71.2 Ų | 71.2 | 71% | 0.706 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -99.3 | -10.7 | -177.4 | -65.9 | -18.2 | 0 | 0 | 0 | 113 | Y510 | N508-Y510 VanDerWaalsContact C-N 3.3Å; N508-Y510 PolarHBondContact O-N 2.78Å |
| 509 | D | 92.1 | Very high | 90.2 | Very high | 85 Ų | 85 | 65.3 Ų | 65.3 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | trans | -83.9 | 74.3 | 174.9 | -166.4 | -13.8 | 0 | 0 | 0 | 111 | N507 K511 A512 M513 | N507-D509 PolarHBondContact OD1-N 3.28Å; N507-D509 VanDerWaalsContact OD1-N 3.13Å; D509-K511 VanDerWaalsContact C-N 3.26Å; D509-K511 PolarHBondContact O-N 2.96Å; D509-A512 HydrophobicContact CB-CB 4.22Å; D509-A512 PolarHBondContact O-N 3.49Å; D509-A512 WeakPolarHBondContact OD1-CB 3.44Å; D509-A512 PolarHBondContact OD1-N 2.96Å; D509-A512 WeakPolarHBondContact OD2-CB 3.33Å; D509-M513 WeakPolarHBondContact O-CE 3.42Å; D509-M513 PolarHBondContact O-N 3.39Å | ||
| 510 | Y | 92.8 | Very high | 90.3 | Very high | 64 Ų | 64 | 64.7 Ų | 64.7 | 25% | 0.251 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.3 | -33.3 | -179.3 | -60.7 | -41.4 | 0 | 0 | 0 | 112.8 | L381 P390 N507 N508 M513 Y514 | L381-Y510 HydrophobicContact CD1-CD1 4.32Å; L381-Y510 HydrophobicContact CD2-CD1 3.72Å; L381-Y510 HydrophobicContact CD2-CE1 4.31Å; L381-Y510 HydrophobicContact CD2-CG 4.13Å; P390-Y510 HydrophobicContact CG-CE2 4.31Å; N507-Y510 VanDerWaalsContact O-CE1 3.24Å; N507-Y510 WeakPolarHBondContact O-CE1 3.46Å; N508-Y510 VanDerWaalsContact C-N 3.3Å; N508-Y510 PolarHBondContact O-N 2.78Å; Y510-M513 HydrophobicContact CD1-CE 3.52Å; Y510-M513 HydrophobicContact CE1-CE 4.07Å; Y510-M513 PolarHBondContact O-N 3.44Å; Y510-Y514 VanDerWaalsContact O-CB 3.28Å; Y510-Y514 WeakPolarHBondContact O-CB 3.37Å; Y510-Y514 PolarHBondContact O-N 3.03Å |
| 511 | K | 92.1 | Very high | 90.6 | Very high | 85 Ų | 85 | 60.1 Ų | 60.1 | 37% | 0.37 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.2 | -47.5 | -179.3 | -167.6 | 68.7 | -178.6 | 179.3 | 0 | 110.8 | D383 V388 D509 M513 Y514 D515 | D383-K511 IonicContact OD2-NZ 2.77Å; D383-K511 PolarHBondContact OD2-NZ 3.41Å; V388-K511 HydrophobicContact CG2-CD 3.55Å; D509-K511 VanDerWaalsContact C-N 3.26Å; D509-K511 PolarHBondContact O-N 2.96Å; K511-M513 VanDerWaalsContact C-N 3.33Å; K511-M513 PolarHBondContact O-N 3.34Å; K511-Y514 PolarHBondContact O-N 3.05Å; K511-D515 PolarHBondContact O-N 2.97Å |
| 512 | A | 92.1 | Very high | 91.1 | Very high | 53 Ų | 53 | 55.2 Ų | 55.2 | 44% | 0.438 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D509 N516 | D509-A512 HydrophobicContact CB-CB 4.22Å; D509-A512 PolarHBondContact O-N 3.49Å; D509-A512 WeakPolarHBondContact OD1-CB 3.44Å; D509-A512 PolarHBondContact OD1-N 2.96Å; D509-A512 WeakPolarHBondContact OD2-CB 3.33Å; A512-N516 PolarHBondContact O-N 3.32Å |
| 513 | M | 92.8 | Very high | 91.6 | Very high | 7 Ų | 7 | 57.4 Ų | 57.4 | 3% | 0.034 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.2 | -39.3 | 176.3 | -71.4 | -172.4 | -75.8 | 0 | 0 | 112.6 | L381 I490 Y495 N507 D509 Y510 K511 N516 N519 | L381-M513 HydrophobicContact CD1-CB 3.78Å; L381-M513 HydrophobicContact CD1-CE 4.34Å; I490-M513 HydrophobicContact CD1-CB 4.38Å; I490-M513 HydrophobicContact CG2-CB 4.4Å; I490-M513 HydrophobicContact CG2-SD 4.15Å; Y495-M513 HydrophobicContact CD2-SD 4.24Å; N507-M513 HydrophobicContact CB-CE 3.8Å; N507-M513 HydrophobicContact CB-SD 3.88Å; N507-M513 WeakPolarHBondContact O-CE 3.34Å; D509-M513 WeakPolarHBondContact O-CE 3.42Å; D509-M513 PolarHBondContact O-N 3.39Å; Y510-M513 HydrophobicContact CD1-CE 3.52Å; Y510-M513 HydrophobicContact CE1-CE 4.07Å; Y510-M513 PolarHBondContact O-N 3.44Å; K511-M513 VanDerWaalsContact C-N 3.33Å; K511-M513 PolarHBondContact O-N 3.34Å; M513-N516 WeakPolarHBondContact O-CB 3.12Å; M513-N516 PolarHBondContact O-N 3.09Å; M513-N519 PolarHBondContact O-ND2 3.43Å |
| 514 | Y | 92.3 | Very high | 91.9 | Very high | 37 Ų | 37 | 56.8 Ų | 56.8 | 15% | 0.145 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.5 | -39.2 | 179.5 | -174 | -86.8 | 0 | 0 | 0 | 112.5 | L381 D383 V388 K488 Y510 K511 N516 | L381-Y514 HydrophobicContact CB-CD2 3.89Å; L381-Y514 WeakPolarHBondContact O-CE2 3.49Å; D383-Y514 HydrophobicContact CB-CE1 3.99Å; D383-Y514 HydrophobicContact CB-CE2 4.24Å; V388-Y514 HydrophobicContact CG1-CD2 3.84Å; V388-Y514 HydrophobicContact CG1-CG 3.93Å; V388-Y514 HydrophobicContact CG2-CD1 4.35Å; V388-Y514 HydrophobicContact CG2-CG 4.12Å; K488-Y514 HydrophobicContact CB-CD2 3.86Å; K488-Y514 HydrophobicContact CB-CE2 4.09Å; K488-Y514 WeakPolarHBondContact CE-O 3.33Å; K488-Y514 HydrophobicContact CG-CD1 4.4Å; K488-Y514 HydrophobicContact CG-CD2 3.47Å; K488-Y514 VanDerWaalsContact CG-CD2 3.47Å; K488-Y514 HydrophobicContact CG-CE1 4.39Å; K488-Y514 HydrophobicContact CG-CE2 3.47Å; K488-Y514 VanDerWaalsContact CG-CE2 3.47Å; K488-Y514 HydrophobicContact CG-CG 3.95Å; Y510-Y514 VanDerWaalsContact O-CB 3.28Å; Y510-Y514 WeakPolarHBondContact O-CB 3.37Å; Y510-Y514 PolarHBondContact O-N 3.03Å; K511-Y514 PolarHBondContact O-N 3.05Å; Y514-N516 VanDerWaalsContact C-N 3.26Å; Y514-N516 PolarHBondContact O-N 2.91Å |
| 515 | D | 91.8 | Very high | 92 | Very high | 102 Ų | 102 | 57.2 Ų | 57.2 | 55% | 0.545 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -77.8 | -8.8 | -180 | -66.5 | -21.5 | 0 | 0 | 0 | 113 | K511 A517 | K511-D515 PolarHBondContact O-N 2.97Å; D515-A517 PolarHBondContact O-N 3.44Å |
| 516 | N | 89.1 | Confident | 92.1 | Very high | 39 Ų | 39 | 53.5 Ų | 53.5 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | trans | -67.9 | 113.4 | 176.9 | -175.3 | -12.7 | 0 | 0 | 0 | 111.1 | E494 A512 M513 Y514 N518 N519 | E494-N516 PolarHBondContact OE1-ND2 2.9Å; A512-N516 PolarHBondContact O-N 3.32Å; M513-N516 WeakPolarHBondContact O-CB 3.12Å; M513-N516 PolarHBondContact O-N 3.09Å; Y514-N516 VanDerWaalsContact C-N 3.26Å; Y514-N516 PolarHBondContact O-N 2.91Å; N516-N518 PolarHBondContact O-N 2.96Å; N516-N518 VanDerWaalsContact O-N 3.16Å; N516-N518 WeakPolarHBondContact OD1-CB 3.35Å; N516-N518 PolarHBondContact OD1-N 2.96Å; N516-N519 PolarHBondContact O-N 3.49Å | ||
| 517 | A | 84 | Confident | 92.4 | Very high | 93 Ų | 93 | 51 Ų | 51 | 77% | 0.769 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -15.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D515 N519 | D515-A517 PolarHBondContact O-N 3.44Å; A517-N519 PolarHBondContact O-N 3.26Å |
| 518 | N | 85.5 | Confident | 92.7 | Very high | 128 Ų | 128 | 48.4 Ų | 48.4 | 68% | 0.684 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -13 | 177.1 | -65 | -24.9 | 0 | 0 | 0 | 113 | N516 | N516-N518 PolarHBondContact O-N 2.96Å; N516-N518 VanDerWaalsContact O-N 3.16Å; N516-N518 WeakPolarHBondContact OD1-CB 3.35Å; N516-N518 PolarHBondContact OD1-N 2.96Å |
| 519 | N | 89 | Confident | 93 | Very high | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.032 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -85.1 | 137 | -179.8 | -70.8 | -36 | 0 | 0 | 0 | 111.6 | L489 I490 M513 N516 A517 | L489-N519 WeakPolarHBondContact O-CB 3.47Å; I490-N519 HydrophobicContact CD1-CB 4.08Å; I490-N519 VanDerWaalsContact CD1-ND2 3.3Å; I490-N519 WeakPolarHBondContact CD1-ND2 3.22Å; M513-N519 PolarHBondContact O-ND2 3.43Å; N516-N519 PolarHBondContact O-N 3.49Å; A517-N519 PolarHBondContact O-N 3.26Å |
| 520 | D | 92.7 | Very high | 92.9 | Very high | 42 Ų | 42 | 41.3 Ų | 41.3 | 23% | 0.225 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 147.4 | 178.5 | -71.6 | -59 | 0 | 0 | 0 | 111.1 | T447 K488 L489 L522 K552 | T447-D520 HydrophobicContact CG2-CB 4.41Å; K488-D520 WeakPolarHBondContact CA-O 3.27Å; L489-D520 HydrophobicContact CB-CB 4.34Å; L489-D520 HydrophobicContact CD2-CB 4.33Å; L489-D520 PolarHBondContact N-O 2.94Å; L489-D520 PolarHBondContact O-N 3.26Å; D520-L522 HydrophobicContact CB-CD1 4.34Å; D520-K552 VanDerWaalsContact CG-CE 3.47Å; D520-K552 IonicContact OD1-NZ 3.6Å; D520-K552 WeakPolarHBondContact OD2-CE 3.27Å; D520-K552 IonicContact OD2-NZ 2.67Å; D520-K552 PolarHBondContact OD2-NZ 3.39Å |
| 521 | T | 94.9 | Very high | 92.7 | Very high | 49 Ų | 49 | 41.4 Ų | 41.4 | 30% | 0.301 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 120.6 | 176 | -49.2 | 0 | 0 | 0 | 0 | 109 | T447 E486 K488 | T447-T521 WeakPolarHBondContact CB-O 3.38Å; E486-T521 HydrophobicContact CB-CG2 4.05Å; E486-T521 HydrophobicContact CG-CG2 4.18Å; K488-T521 PolarHBondContact NZ-OG1 2.72Å |
| 522 | L | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 146 | 174.2 | -78 | 59.1 | 0 | 0 | 0 | 108.6 | L380 T447 E486 F487 L489 D520 L549 | L380-L522 HydrophobicContact CD2-CD2 4.03Å; T447-L522 HydrophobicContact CG2-CD1 4.12Å; T447-L522 VanDerWaalsContact O-CA 3.3Å; T447-L522 WeakPolarHBondContact O-CA 3.42Å; E486-L522 VanDerWaalsContact CA-O 3.3Å; E486-L522 WeakPolarHBondContact CA-O 3.37Å; F487-L522 HydrophobicContact CD2-CB 3.52Å; F487-L522 HydrophobicContact CD2-CD2 4.09Å; F487-L522 HydrophobicContact CD2-CG 4.43Å; F487-L522 HydrophobicContact CE2-CB 3.23Å; F487-L522 HydrophobicContact CE2-CD2 3.52Å; F487-L522 HydrophobicContact CE2-CG 4.02Å; F487-L522 HydrophobicContact CG-CB 4.36Å; F487-L522 HydrophobicContact CZ-CB 3.83Å; F487-L522 HydrophobicContact CZ-CD2 4.5Å; F487-L522 PolarHBondContact N-O 3.37Å; F487-L522 PolarHBondContact O-N 3.5Å; L489-L522 HydrophobicContact CB-CD1 3.47Å; L489-L522 VanDerWaalsContact CB-CD1 3.47Å; L489-L522 HydrophobicContact CB-CD2 4.49Å; L489-L522 HydrophobicContact CD2-CD1 4.01Å; L489-L522 HydrophobicContact CG-CD1 4.38Å; D520-L522 HydrophobicContact CB-CD1 4.34Å; L522-L549 HydrophobicContact CD1-CD1 4.4Å; L522-L549 HydrophobicContact CD2-CD1 4.29Å; L522-L549 HydrophobicContact CD2-CD2 3.79Å; L522-L549 HydrophobicContact CG-CD1 4.38Å; L522-L549 HydrophobicContact CG-CD2 4.44Å |
| 523 | K | 96.3 | Very high | 91.3 | Very high | 79 Ų | 79 | 49 Ų | 49 | 34% | 0.343 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 136.3 | -173.6 | -174.2 | 173.2 | -167.8 | 143.1 | 0 | 111.3 | T447 V449 T485 E486 S525 | T447-K523 PolarHBondContact O-N 2.85Å; V449-K523 WeakPolarHBondContact CG2-O 3.47Å; V449-K523 PolarHBondContact N-O 2.97Å; T485-K523 WeakPolarHBondContact O-CA 3.2Å; E486-K523 HydrophobicContact CG-CB 4.11Å; E486-K523 HydrophobicContact CG-CD 4.15Å; E486-K523 HydrophobicContact CG-CG 3.9Å; E486-K523 WeakPolarHBondContact OE1-CE 3.1Å; E486-K523 IonicContact OE1-NZ 2.94Å; E486-K523 PolarHBondContact OE1-NZ 3.11Å; K523-S525 PolarHBondContact O-N 3.06Å |
| 524 | I | 97.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 97.1 | 167.3 | -50.7 | -176.4 | 0 | 0 | 0 | 108.4 | V449 L467 I482 G484 T485 F487 I543 | V449-I524 HydrophobicContact CG2-CB 4.33Å; V449-I524 HydrophobicContact CG2-CG1 3.84Å; V449-I524 CarbonylContact O-C 3.18Å; V449-I524 WeakPolarHBondContact O-CA 3.24Å; L467-I524 HydrophobicContact CD1-CD1 3.87Å; I482-I524 HydrophobicContact CG2-CD1 3.93Å; I482-I524 HydrophobicContact CG2-CG2 4.22Å; G484-I524 PolarHBondContact N-O 3.26Å; T485-I524 HydrophobicContact CG2-CD1 4.39Å; T485-I524 PolarHBondContact O-N 3.24Å; F487-I524 HydrophobicContact CE1-CG1 4.03Å; I524-I543 HydrophobicContact CD1-CD1 4.12Å |
| 525 | S | 96.8 | Very high | 89.3 | Confident | 15 Ų | 15 | 50.3 Ų | 50.3 | 11% | 0.105 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | -30.2 | -176 | 60.5 | 0 | 0 | 0 | 0 | 113.2 | G440 A441 V449 V450 K523 | G440-S525 CarbonylContact C-O 3.56Å; G440-S525 WeakPolarHBondContact CA-O 3.43Å; A441-S525 PolarHBondContact N-O 2.98Å; A441-S525 CarbonylContact O-C 3.4Å; V449-S525 PolarHBondContact O-N 3.36Å; V449-S525 PolarHBondContact O-OG 3.39Å; V450-S525 WeakPolarHBondContact CG1-OG 3.22Å; K523-S525 PolarHBondContact O-N 3.06Å |
| 526 | G | 96.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.7 | 172.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A439 V450 L451 | A439-G526 CarbonylContact O-C 3.52Å; A439-G526 WeakPolarHBondContact O-CA 3.41Å; V450-G526 WeakPolarHBondContact CA-O 3.43Å; L451-G526 PolarHBondContact N-O 3.29Å |
| 527 | I | 97.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.8 | 175.3 | -58.3 | 172.2 | 0 | 0 | 0 | 108.3 | L438 A439 L451 V453 F479 I482 V483 | L438-I527 HydrophobicContact CB-CB 4.49Å; L438-I527 HydrophobicContact CB-CG2 4.44Å; L438-I527 HydrophobicContact CD1-CG2 4.28Å; L438-I527 PolarHBondContact N-O 3.4Å; A439-I527 PolarHBondContact O-N 3.41Å; L451-I527 HydrophobicContact CB-CG1 4.13Å; L451-I527 HydrophobicContact CD2-CD1 4.32Å; L451-I527 HydrophobicContact CD2-CG1 4.21Å; L451-I527 HydrophobicContact CD2-CG2 4.4Å; L451-I527 CarbonylContact O-C 3.59Å; L451-I527 WeakPolarHBondContact O-CA 3.5Å; V453-I527 HydrophobicContact CG1-CG2 3.82Å; V453-I527 HydrophobicContact CG2-CG2 4.32Å; F479-I527 HydrophobicContact CB-CD1 3.72Å; F479-I527 HydrophobicContact CD1-CD1 3.33Å; F479-I527 HydrophobicContact CD2-CD1 4.41Å; F479-I527 HydrophobicContact CE1-CD1 4Å; F479-I527 HydrophobicContact CG-CD1 3.57Å; I482-I527 HydrophobicContact CB-CD1 4.29Å; I482-I527 HydrophobicContact CD1-CD1 4.44Å; I482-I527 HydrophobicContact CG2-CD1 4.42Å; V483-I527 HydrophobicContact CG2-CD1 3.86Å; V483-I527 HydrophobicContact CG2-CG1 3.74Å |
| 528 | L | 96.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 143.1 | -175.4 | -56.2 | -173.4 | 0 | 0 | 0 | 111 | L431 Y435 K436 L437 Y442 V450 L451 I452 V453 | L431-L528 HydrophobicContact CB-CD1 4.24Å; L431-L528 HydrophobicContact CD1-CD1 4.16Å; L431-L528 HydrophobicContact CD2-CD1 3.96Å; L431-L528 HydrophobicContact CG-CD1 4.36Å; Y435-L528 HydrophobicContact CD1-CB 4.42Å; K436-L528 WeakPolarHBondContact O-CA 3.06Å; L437-L528 HydrophobicContact CB-CD2 4.13Å; L437-L528 HydrophobicContact CD1-CD2 3.57Å; L437-L528 HydrophobicContact CG-CD2 4.48Å; Y442-L528 HydrophobicContact CD1-CD1 4.27Å; Y442-L528 HydrophobicContact CD1-CD2 3.98Å; Y442-L528 HydrophobicContact CE1-CD1 4.28Å; Y442-L528 HydrophobicContact CE1-CD2 3.74Å; V450-L528 HydrophobicContact CB-CD1 4.09Å; V450-L528 HydrophobicContact CB-CG 4.14Å; V450-L528 HydrophobicContact CG1-CD1 4.04Å; V450-L528 HydrophobicContact CG1-CG 4.18Å; V450-L528 HydrophobicContact CG2-CD1 3.93Å; V450-L528 HydrophobicContact CG2-CG 4.45Å; L451-L528 PolarHBondContact O-N 3.26Å; I452-L528 WeakPolarHBondContact CA-O 3.35Å; I452-L528 HydrophobicContact CD1-CB 3.87Å; I452-L528 HydrophobicContact CD1-CD1 4.24Å; I452-L528 HydrophobicContact CD1-CG 4.47Å; V453-L528 PolarHBondContact N-O 3.38Å |
| 529 | R | 94.6 | Very high | 87.7 | Confident | 47 Ų | 47 | 37.9 Ų | 37.9 | 18% | 0.177 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 142.7 | 174.3 | -176.1 | 173.5 | 67.6 | 179.5 | 11.3 | 110.3 | Y435 K436 L438 V453 D454 N457 K531 | Y435-R529 CarbonylContact C-O 3.59Å; Y435-R529 VanDerWaalsContact CA-O 3.3Å; Y435-R529 WeakPolarHBondContact CA-O 3.48Å; K436-R529 PolarHBondContact N-O 3.43Å; K436-R529 PolarHBondContact O-N 2.62Å; L438-R529 HydrophobicContact CD1-CB 3.9Å; L438-R529 HydrophobicContact CD2-CB 4.29Å; L438-R529 HydrophobicContact CG-CB 4.06Å; V453-R529 HydrophobicContact CG2-CB 3.71Å; V453-R529 HydrophobicContact CG2-CG 4.04Å; D454-R529 VanDerWaalsContact O-CD 3.3Å; D454-R529 WeakPolarHBondContact O-CD 3.48Å; D454-R529 WeakPolarHBondContact O-CG 3.34Å; N457-R529 WeakPolarHBondContact OD1-CD 3.4Å; N457-R529 PolarHBondContact OD1-NH1 3.38Å; R529-K531 PolarHBondContact O-N 3.03Å |
| 530 | V | 90 | Very high | 87.7 | Confident | 22 Ų | 22 | 38.4 Ų | 38.4 | 13% | 0.133 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 136.6 | 173.5 | 66.5 | 0 | 0 | 0 | 0 | 110.9 | Y435 N537 | Y435-V530 HydrophobicContact CD1-CB 4.42Å; Y435-V530 HydrophobicContact CE1-CB 4.27Å; V530-N537 HydrophobicContact CB-CB 4.5Å; V530-N537 HydrophobicContact CG2-CB 4.01Å |
| 531 | K | 89.2 | Confident | 87.7 | Confident | 66 Ų | 66 | 38.7 Ų | 38.7 | 29% | 0.287 | 21% | 0.21 | S | C | . | . | trans | -71.3 | 142.6 | 173.3 | -66.7 | 179.6 | -172.8 | 171.3 | 0 | 109.5 | K432 D433 N434 K436 R529 S533 S534 | K432-K531 VanDerWaalsContact O-CE 3.26Å; K432-K531 WeakPolarHBondContact O-CE 3.35Å; K432-K531 PolarHBondContact O-NZ 3.37Å; D433-K531 WeakPolarHBondContact O-CD 3.19Å; D433-K531 WeakPolarHBondContact O-CE 3.38Å; D433-K531 PolarHBondContact O-NZ 3.34Å; N434-K531 PolarHBondContact O-N 3.12Å; K436-K531 HydrophobicContact CB-CG 4.14Å; R529-K531 PolarHBondContact O-N 3.03Å; K531-S533 PolarHBondContact O-N 2.97Å; K531-S533 VanDerWaalsContact O-N 3.15Å; K531-S534 WeakPolarHBondContact O-CB 3.1Å; K531-S534 PolarHBondContact O-N 3.29Å | ||
| 532 | E | 79.9 | Confident | 87.6 | Confident | 194 Ų | 194 | 36.4 Ų | 36.4 | 91% | 0.907 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -30.4 | 177 | -68.9 | 171.1 | -164.6 | 0 | 0 | 112.9 | S534 | E532-S534 VanDerWaalsContact C-N 3.3Š|
| 533 | S | 74.3 | Confident | 87.5 | Confident | 104 Ų | 104 | 36.8 Ų | 36.8 | 73% | 0.727 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -7.5 | 176 | 64.8 | 0 | 0 | 0 | 0 | 114.1 | K531 | K531-S533 PolarHBondContact O-N 2.97Å; K531-S533 VanDerWaalsContact O-N 3.15Å |
| 534 | S | 76 | Confident | 87.4 | Confident | 17 Ų | 17 | 33 Ų | 33 | 12% | 0.119 | 18% | 0.182 | C | C | . | . | trans | -94.7 | 124.7 | -174.7 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | N434 K531 E532 M536 | N434-S534 WeakPolarHBondContact O-CB 3.39Å; N434-S534 PolarHBondContact OD1-OG 3.18Å; K531-S534 WeakPolarHBondContact O-CB 3.1Å; K531-S534 PolarHBondContact O-N 3.29Å; E532-S534 VanDerWaalsContact C-N 3.3Å; S534-M536 VanDerWaalsContact C-N 3.28Å; S534-M536 PolarHBondContact OG-N 2.98Å; S534-M536 VanDerWaalsContact OG-N 3.15Å | ||
| 535 | T | 68.8 | Low | 87.3 | Confident | 54 Ų | 54 | 34.4 Ų | 34.4 | 33% | 0.331 | 19% | 0.187 | S | C | . | . | trans | -87.8 | -4.4 | 170.4 | 59 | 0 | 0 | 0 | 0 | 111.6 | T296 N537 | T296-T535 HydrophobicContact CG2-CG2 3.3Å; T296-T535 PolarHBondContact O-OG1 2.98Å; T296-T535 VanDerWaalsContact O-OG1 3.08Å; T535-N537 PolarHBondContact O-N 2.7Å | ||
| 536 | M | 70.8 | Confident | 87.1 | Confident | 17 Ų | 17 | 33.9 Ų | 33.9 | 8% | 0.084 | 18% | 0.184 | C | C | . | . | trans | -95.3 | 56.7 | -175.9 | -60.7 | -176.6 | 73.1 | 0 | 0 | 111.6 | K299 F430 N434 S534 L538 Y603 | K299-M536 HydrophobicContact CB-CE 4.41Å; K299-M536 HydrophobicContact CB-CG 3.64Å; K299-M536 HydrophobicContact CB-SD 3.78Å; K299-M536 HydrophobicContact CD-CG 4.02Å; K299-M536 HydrophobicContact CD-SD 3.95Å; K299-M536 HydrophobicContact CG-CG 4.44Å; K299-M536 HydrophobicContact CG-SD 4.26Å; K299-M536 WeakPolarHBondContact O-CE 3.29Å; F430-M536 HydrophobicContact CD2-CE 4.31Å; F430-M536 HydrophobicContact CE2-CE 3.92Å; N434-M536 HydrophobicContact CB-CB 4.34Å; N434-M536 PolarHBondContact OD1-SD 2.86Å; N434-M536 VanDerWaalsContact OD1-SD 3.36Å; S534-M536 VanDerWaalsContact C-N 3.28Å; S534-M536 PolarHBondContact OG-N 2.98Å; S534-M536 VanDerWaalsContact OG-N 3.15Å; M536-L538 HydrophobicContact CB-CD1 4.2Å; M536-L538 HydrophobicContact CB-CG 4.36Å; M536-L538 HydrophobicContact CE-CD1 3.89Å; M536-L538 PolarHBondContact O-N 3.42Å; M536-Y603 HydrophobicContact CE-CD1 3.65Å; M536-Y603 HydrophobicContact CE-CE1 4.36Å | ||
| 537 | N | 75.5 | Confident | 86.8 | Confident | 79 Ų | 79 | 34.1 Ų | 34.1 | 42% | 0.422 | 19% | 0.185 | S | C | . | . | trans | -80.3 | 70.2 | 169.8 | -167.3 | 22.4 | 0 | 0 | 0 | 110.7 | V530 T535 | V530-N537 HydrophobicContact CB-CB 4.5Å; V530-N537 HydrophobicContact CG2-CB 4.01Å; T535-N537 PolarHBondContact O-N 2.7Å | ||
| 538 | L | 81.6 | Confident | 86.5 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | trans | -98.5 | -20.9 | -169.2 | -60.7 | 173.3 | 0 | 0 | 0 | 113.4 | Y300 P301 M414 G415 V416 F430 Y435 M536 Y603 | Y300-L538 HydrophobicContact CD1-CD2 4.07Å; Y300-L538 HydrophobicContact CE1-CD2 4.1Å; P301-L538 HydrophobicContact CG-CD1 4.34Å; M414-L538 HydrophobicContact CG-CD2 4Å; G415-L538 WeakPolarHBondContact CA-O 3.4Å; G415-L538 PolarHBondContact N-O 3.34Å; V416-L538 PolarHBondContact N-O 3.45Å; F430-L538 HydrophobicContact CE2-CD1 4.44Å; F430-L538 HydrophobicContact CZ-CB 4.44Å; Y435-L538 PolarHBondContact OH-N 2.98Å; M536-L538 HydrophobicContact CB-CD1 4.2Å; M536-L538 HydrophobicContact CB-CG 4.36Å; M536-L538 HydrophobicContact CE-CD1 3.89Å; M536-L538 PolarHBondContact O-N 3.42Å; L538-Y603 HydrophobicContact CD1-CD1 3.95Å; L538-Y603 HydrophobicContact CD1-CE1 3.45Å; L538-Y603 VanDerWaalsContact CD1-CE1 3.45Å | ||
| 539 | L | 88.9 | Confident | 86.3 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -82.4 | 138.7 | 173.1 | -57.2 | 178 | 0 | 0 | 0 | 111.1 | V416 F419 F430 L431 Y435 I452 A544 | V416-L539 HydrophobicContact CG2-CD2 4.06Å; V416-L539 WeakPolarHBondContact O-CA 3.25Å; F419-L539 HydrophobicContact CB-CD1 4.19Å; F419-L539 HydrophobicContact CB-CD2 4.03Å; F430-L539 HydrophobicContact CE1-CD1 4.07Å; F430-L539 HydrophobicContact CE1-CD2 4.38Å; F430-L539 HydrophobicContact CE1-CG 4.08Å; L431-L539 HydrophobicContact CD2-CD1 3.75Å; Y435-L539 HydrophobicContact CE1-CD1 4.48Å; Y435-L539 HydrophobicContact CE2-CD1 4.04Å; Y435-L539 HydrophobicContact CE2-CG 4.3Å; Y435-L539 WeakPolarHBondContact OH-CB 3.32Å; Y435-L539 PolarHBondContact OH-N 2.77Å; I452-L539 HydrophobicContact CD1-CD1 3.75Å; I452-L539 HydrophobicContact CG1-CB 4.01Å; I452-L539 HydrophobicContact CG1-CD1 3.98Å; I452-L539 HydrophobicContact CG2-CB 4.38Å; L539-A544 HydrophobicContact CD1-CB 3.96Å |
| 540 | A | 89.1 | Confident | 86.2 | Confident | 17 Ų | 17 | 35.3 Ų | 35.3 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 142.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G415 V416 G542 | G415-A540 WeakPolarHBondContact O-CB 3.25Å; V416-A540 PolarHBondContact O-N 2.97Å; V416-A540 VanDerWaalsContact O-N 3.11Å; A540-G542 PolarHBondContact O-N 3.07Å; A540-G542 VanDerWaalsContact O-N 3.14Å |
| 541 | P | 91.5 | Very high | 86.3 | Confident | 47 Ų | 47 | 36.2 Ų | 36.2 | 31% | 0.305 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -56.2 | 119.9 | 164.8 | -21.7 | 32.7 | 0 | 0 | 0 | 109.4 | N395 I452 N460 | N395-P541 PolarHBondContact ND2-O 3.33Å; I452-P541 WeakPolarHBondContact O-CA 3.34Å; N460-P541 WeakPolarHBondContact CB-O 3.39Å |
| 542 | G | 93 | Very high | 86.4 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 144 | -162.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111 | I452 T459 A540 | I452-G542 PolarHBondContact N-O 3.36Å; I452-G542 PolarHBondContact O-N 3.17Å; T459-G542 WeakPolarHBondContact OG1-CA 3.42Å; T459-G542 PolarHBondContact OG1-N 3.35Å; A540-G542 PolarHBondContact O-N 3.07Å; A540-G542 VanDerWaalsContact O-N 3.14Å |
| 543 | I | 94.6 | Very high | 87 | Confident | 9 Ų | 9 | 26.2 Ų | 26.2 | 5% | 0.046 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 125.2 | -179.8 | -53.4 | -66.9 | 0 | 0 | 0 | 110.2 | L393 V449 V450 L451 L467 I524 | L393-I543 HydrophobicContact CD1-CG2 4.31Å; L393-I543 HydrophobicContact CD2-CB 4.16Å; L393-I543 HydrophobicContact CD2-CG1 4.36Å; L393-I543 HydrophobicContact CD2-CG2 3.79Å; L393-I543 HydrophobicContact CG-CG2 4.49Å; V449-I543 HydrophobicContact CB-CG2 3.93Å; V449-I543 HydrophobicContact CG2-CG2 3.89Å; V450-I543 WeakPolarHBondContact O-CA 3.36Å; L451-I543 HydrophobicContact CB-CD1 4.16Å; L451-I543 HydrophobicContact CD1-CD1 3.71Å; L467-I543 HydrophobicContact CD1-CD1 3.55Å; L467-I543 HydrophobicContact CD1-CG1 3.59Å; L467-I543 HydrophobicContact CG-CG1 4.41Å; I524-I543 HydrophobicContact CD1-CD1 4.12Å |
| 544 | A | 94.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 145.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S417 F419 V449 V450 I452 L539 | S417-A544 CarbonylContact O-C 3.47Å; S417-A544 WeakPolarHBondContact O-CA 3.33Å; S417-A544 VanDerWaalsContact O-CB 3.28Å; S417-A544 WeakPolarHBondContact O-CB 3.39Å; F419-A544 HydrophobicContact CD1-CB 4.27Å; V449-A544 WeakPolarHBondContact CA-O 3.28Å; V449-A544 WeakPolarHBondContact CB-O 3.49Å; V450-A544 HydrophobicContact CG2-CB 4.06Å; V450-A544 PolarHBondContact N-O 2.59Å; V450-A544 PolarHBondContact O-N 3.38Å; I452-A544 HydrophobicContact CD1-CB 4.19Å; I452-A544 HydrophobicContact CG1-CB 3.71Å; L539-A544 HydrophobicContact CD1-CB 3.96Å |
| 545 | Y | 94.3 | Very high | 88.7 | Confident | 28 Ų | 28 | 27.8 Ų | 27.8 | 11% | 0.11 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 163.1 | -175.5 | 51.8 | -99.3 | 0 | 0 | 0 | 111.9 | M378 L393 S417 S418 F419 L549 T550 | M378-Y545 HydrophobicContact CE-CD1 4.29Å; M378-Y545 HydrophobicContact CE-CD2 3.84Å; M378-Y545 HydrophobicContact CE-CE1 4.01Å; M378-Y545 HydrophobicContact CE-CE2 3.54Å; M378-Y545 HydrophobicContact CE-CG 4.21Å; L393-Y545 HydrophobicContact CB-CD1 4.41Å; L393-Y545 HydrophobicContact CB-CE1 4.23Å; L393-Y545 HydrophobicContact CD1-CD1 3.76Å; L393-Y545 HydrophobicContact CD1-CE1 4.28Å; L393-Y545 HydrophobicContact CD1-CG 4.5Å; S417-Y545 PolarHBondContact O-N 3.45Å; S417-Y545 PolarHBondContact OG-OH 3.44Å; S418-Y545 CarbonylContact C-O 3.52Å; S418-Y545 VanDerWaalsContact CA-O 3.23Å; S418-Y545 WeakPolarHBondContact CA-O 3.41Å; F419-Y545 VanDerWaalsContact CD1-C 3.44Å; F419-Y545 WeakPolarHBondContact CD1-O 3.19Å; F419-Y545 WeakPolarHBondContact CE1-O 3.31Å; F419-Y545 PolarHBondContact N-O 2.82Å; Y545-L549 HydrophobicContact CG-CD2 4.33Å; Y545-T550 HydrophobicContact CD2-CG2 4.01Å; Y545-T550 HydrophobicContact CE2-CG2 3.53Å |
| 546 | S | 93.1 | Very high | 89.8 | Confident | 4 Ų | 4 | 28.2 Ų | 28.2 | 3% | 0.028 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 149.2 | -176.5 | 71.5 | 0 | 0 | 0 | 0 | 111.8 | F419 N446 E548 L549 | F419-S546 VanDerWaalsContact CE2-CA 3.5Å; F419-S546 VanDerWaalsContact CE2-CB 3.48Å; F419-S546 VanDerWaalsContact CZ-CA 3.48Å; N446-S546 WeakPolarHBondContact CA-OG 3.24Å; N446-S546 PolarHBondContact O-OG 2.86Å; S546-E548 VanDerWaalsContact CB-OE2 3.28Å; S546-E548 WeakPolarHBondContact CB-OE2 3.39Å; S546-E548 PolarHBondContact O-N 3.2Å; S546-L549 WeakPolarHBondContact O-CB 3.45Å; S546-L549 PolarHBondContact O-N 3.09Å; S546-L549 WeakPolarHBondContact OG-CB 3.43Å; S546-L549 PolarHBondContact OG-N 3.23Å |
| 547 | N | 90 | Very high | 90.8 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.027 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.3 | -27.6 | 172.2 | 92.1 | 35.6 | 0 | 0 | 0 | 110.9 | I370 F419 T421 L549 T550 S551 | I370-N547 PolarHBondContact O-ND2 3.02Å; F419-N547 PolarHBondContact O-N 2.88Å; T421-N547 WeakPolarHBondContact CB-ND2 3.49Å; T421-N547 WeakPolarHBondContact CG2-ND2 3.33Å; T421-N547 WeakPolarHBondContact CG2-OD1 3.43Å; T421-N547 PolarHBondContact N-ND2 2.82Å; T421-N547 PolarHBondContact OG1-ND2 2.77Å; N547-L549 VanDerWaalsContact C-N 3.26Å; N547-L549 PolarHBondContact O-N 3.43Å; N547-T550 PolarHBondContact O-N 3.38Å; N547-T550 PolarHBondContact O-OG1 3.38Å; N547-S551 PolarHBondContact O-N 3.43Å; N547-S551 PolarHBondContact O-OG 2.68Å |
| 548 | E | 90.8 | Very high | 91.7 | Very high | 71 Ų | 71 | 27.5 Ų | 27.5 | 33% | 0.332 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -65.1 | -32.8 | 178.3 | -63 | 92.1 | 146.1 | 0 | 0 | 111 | T421 N446 S546 S551 K552 | T421-E548 HydrophobicContact CG2-CG 3.61Å; T421-E548 WeakPolarHBondContact CG2-OE1 3.46Å; N446-E548 HydrophobicContact CB-CB 3.77Å; S546-E548 VanDerWaalsContact CB-OE2 3.28Å; S546-E548 WeakPolarHBondContact CB-OE2 3.39Å; S546-E548 PolarHBondContact O-N 3.2Å; E548-S551 PolarHBondContact O-N 3.1Å; E548-K552 WeakPolarHBondContact O-CB 3.44Å; E548-K552 PolarHBondContact O-N 2.85Å |
| 549 | L | 93.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60 | -52 | 171.5 | -175.7 | 58 | 0 | 0 | 0 | 110.7 | M378 N446 T447 V449 L489 L522 Y545 S546 N547 S551 K552 I553 | M378-L549 HydrophobicContact CE-CD2 4.29Å; N446-L549 WeakPolarHBondContact O-CB 3.32Å; T447-L549 HydrophobicContact CG2-CD1 4.4Å; V449-L549 HydrophobicContact CG1-CD2 4.46Å; L489-L549 HydrophobicContact CD2-CD1 4.38Å; L522-L549 HydrophobicContact CD1-CD1 4.4Å; L522-L549 HydrophobicContact CD2-CD1 4.29Å; L522-L549 HydrophobicContact CD2-CD2 3.79Å; L522-L549 HydrophobicContact CG-CD1 4.38Å; L522-L549 HydrophobicContact CG-CD2 4.44Å; Y545-L549 HydrophobicContact CG-CD2 4.33Å; S546-L549 WeakPolarHBondContact O-CB 3.45Å; S546-L549 PolarHBondContact O-N 3.09Å; S546-L549 WeakPolarHBondContact OG-CB 3.43Å; S546-L549 PolarHBondContact OG-N 3.23Å; N547-L549 VanDerWaalsContact C-N 3.26Å; N547-L549 PolarHBondContact O-N 3.43Å; L549-S551 VanDerWaalsContact C-N 3.29Å; L549-S551 PolarHBondContact O-N 3.09Å; L549-K552 PolarHBondContact O-N 2.94Å; L549-I553 HydrophobicContact CD1-CD1 4.34Å; L549-I553 HydrophobicContact CG-CD1 4.02Å; L549-I553 VanDerWaalsContact O-CG1 3.3Å; L549-I553 WeakPolarHBondContact O-CG1 3.44Å; L549-I553 PolarHBondContact O-N 2.95Å |
| 550 | T | 92 | Very high | 92.4 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.5 | -37.9 | -179.8 | 64.3 | 0 | 0 | 0 | 0 | 111.9 | V376 M378 Y545 N547 K552 I553 V554 | V376-T550 HydrophobicContact CG1-CG2 3.98Å; M378-T550 HydrophobicContact CE-CG2 3.87Å; Y545-T550 HydrophobicContact CD2-CG2 4.01Å; Y545-T550 HydrophobicContact CE2-CG2 3.53Å; N547-T550 PolarHBondContact O-N 3.38Å; N547-T550 PolarHBondContact O-OG1 3.38Å; T550-K552 VanDerWaalsContact C-N 3.34Å; T550-K552 PolarHBondContact O-N 3.21Å; T550-I553 PolarHBondContact O-N 3.49Å; T550-V554 WeakPolarHBondContact O-CG2 3.35Å; T550-V554 PolarHBondContact O-N 2.98Å |
| 551 | S | 90.9 | Very high | 92.7 | Very high | 40 Ų | 40 | 36.7 Ų | 36.7 | 28% | 0.28 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 175.8 | -53.7 | 0 | 0 | 0 | 0 | 111.7 | R374 N547 E548 L549 K555 | R374-S551 PolarHBondContact NH1-OG 3.33Å; N547-S551 PolarHBondContact O-N 3.43Å; N547-S551 PolarHBondContact O-OG 2.68Å; E548-S551 PolarHBondContact O-N 3.1Å; L549-S551 VanDerWaalsContact C-N 3.29Å; L549-S551 PolarHBondContact O-N 3.09Å; S551-K555 WeakPolarHBondContact O-CB 3.37Å; S551-K555 PolarHBondContact O-N 3.11Å; S551-K555 VanDerWaalsContact O-N 3.08Å |
| 552 | K | 92.3 | Very high | 92.8 | Very high | 50 Ų | 50 | 34.5 Ų | 34.5 | 22% | 0.217 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.3 | -46.8 | 174.5 | 172 | 166.1 | 159.4 | 45.9 | 0 | 111.6 | D520 E548 L549 T550 V554 K555 D556 | D520-K552 VanDerWaalsContact CG-CE 3.47Å; D520-K552 IonicContact OD1-NZ 3.6Å; D520-K552 WeakPolarHBondContact OD2-CE 3.27Å; D520-K552 IonicContact OD2-NZ 2.67Å; D520-K552 PolarHBondContact OD2-NZ 3.39Å; E548-K552 WeakPolarHBondContact O-CB 3.44Å; E548-K552 PolarHBondContact O-N 2.85Å; L549-K552 PolarHBondContact O-N 2.94Å; T550-K552 VanDerWaalsContact C-N 3.34Å; T550-K552 PolarHBondContact O-N 3.21Å; K552-V554 VanDerWaalsContact C-N 3.3Å; K552-V554 PolarHBondContact O-N 2.98Å; K552-K555 WeakPolarHBondContact O-CB 3.33Å; K552-K555 PolarHBondContact O-N 3.27Å; K552-K555 VanDerWaalsContact O-N 3.12Å; K552-D556 VanDerWaalsContact CG-OD2 3.24Å; K552-D556 WeakPolarHBondContact CG-OD2 3.33Å; K552-D556 IonicContact NZ-OD1 2.79Å; K552-D556 IonicContact NZ-OD2 2.89Å; K552-D556 PolarHBondContact NZ-OD2 2.95Å; K552-D556 VanDerWaalsContact O-CG 3.23Å; K552-D556 PolarHBondContact O-N 3.05Å |
| 553 | I | 93.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.6 | -44.3 | 178.4 | -66.5 | 166.8 | 0 | 0 | 0 | 111.1 | V376 M378 L489 L549 T550 D556 N557 | V376-I553 HydrophobicContact CG1-CG2 4.43Å; V376-I553 HydrophobicContact CG2-CB 4.32Å; V376-I553 HydrophobicContact CG2-CG2 3.52Å; M378-I553 HydrophobicContact CE-CD1 3.94Å; M378-I553 HydrophobicContact CG-CD1 3.85Å; M378-I553 HydrophobicContact SD-CD1 4.08Å; L489-I553 HydrophobicContact CD1-CD1 4.03Å; L489-I553 HydrophobicContact CD1-CG1 4.18Å; L489-I553 HydrophobicContact CD2-CD1 3.97Å; L489-I553 HydrophobicContact CD2-CG1 3.58Å; L489-I553 HydrophobicContact CG-CG1 4.48Å; L549-I553 HydrophobicContact CD1-CD1 4.34Å; L549-I553 HydrophobicContact CG-CD1 4.02Å; L549-I553 VanDerWaalsContact O-CG1 3.3Å; L549-I553 WeakPolarHBondContact O-CG1 3.44Å; L549-I553 PolarHBondContact O-N 2.95Å; T550-I553 PolarHBondContact O-N 3.49Å; I553-D556 PolarHBondContact O-N 2.99Å; I553-N557 WeakPolarHBondContact CG2-ND2 3.49Å; I553-N557 VanDerWaalsContact O-CB 3.31Å; I553-N557 WeakPolarHBondContact O-CB 3.4Å; I553-N557 PolarHBondContact O-N 3.14Å; I553-N557 VanDerWaalsContact O-N 3.09Å; I553-N557 PolarHBondContact O-ND2 3.13Å |
| 554 | V | 92.5 | Very high | 92.9 | Very high | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.03 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.8 | -50.6 | 175.8 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | V376 T550 K552 D556 N557 E558 D594 | V376-V554 HydrophobicContact CB-CG2 4.18Å; V376-V554 HydrophobicContact CG2-CG2 4.02Å; T550-V554 WeakPolarHBondContact O-CG2 3.35Å; T550-V554 PolarHBondContact O-N 2.98Å; K552-V554 VanDerWaalsContact C-N 3.3Å; K552-V554 PolarHBondContact O-N 2.98Å; V554-D556 VanDerWaalsContact C-N 3.27Å; V554-D556 PolarHBondContact O-N 3.42Å; V554-N557 CarbonylContact O-C 3.59Å; V554-N557 PolarHBondContact O-N 2.91Å; V554-N557 VanDerWaalsContact O-N 3.09Å; V554-E558 WeakPolarHBondContact O-CB 3.22Å; V554-E558 PolarHBondContact O-N 3.4Å; V554-D594 WeakPolarHBondContact CG1-O 3.34Å |
| 555 | K | 92.2 | Very high | 92.9 | Very high | 149 Ų | 149 | 40.2 Ų | 40.2 | 65% | 0.648 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -57.8 | -39.5 | -179.5 | -174.6 | 179.5 | 179.6 | 179.2 | 0 | 112.9 | S551 K552 N557 | S551-K555 WeakPolarHBondContact O-CB 3.37Å; S551-K555 PolarHBondContact O-N 3.11Å; S551-K555 VanDerWaalsContact O-N 3.08Å; K552-K555 WeakPolarHBondContact O-CB 3.33Å; K552-K555 PolarHBondContact O-N 3.27Å; K552-K555 VanDerWaalsContact O-N 3.12Å; K555-N557 VanDerWaalsContact C-N 3.33Å |
| 556 | D | 91.9 | Very high | 92.9 | Very high | 62 Ų | 62 | 38.9 Ų | 38.9 | 33% | 0.332 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -74.6 | -26.3 | -179.3 | -62.7 | -24.7 | 0 | 0 | 0 | 112 | K552 I553 V554 | K552-D556 VanDerWaalsContact CG-OD2 3.24Å; K552-D556 WeakPolarHBondContact CG-OD2 3.33Å; K552-D556 IonicContact NZ-OD1 2.79Å; K552-D556 IonicContact NZ-OD2 2.89Å; K552-D556 PolarHBondContact NZ-OD2 2.95Å; K552-D556 VanDerWaalsContact O-CG 3.23Å; K552-D556 PolarHBondContact O-N 3.05Å; I553-D556 PolarHBondContact O-N 2.99Å; V554-D556 VanDerWaalsContact C-N 3.27Å; V554-D556 PolarHBondContact O-N 3.42Å |
| 557 | N | 93.4 | Very high | 92.9 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -104.4 | -12.8 | -175.2 | -70.9 | -61 | 0 | 0 | 0 | 115.3 | N492 I553 V554 K555 N559 S560 V563 | N492-N557 VanDerWaalsContact CB-OD1 3.26Å; N492-N557 WeakPolarHBondContact CB-OD1 3.47Å; N492-N557 PolarHBondContact N-OD1 3.45Å; I553-N557 WeakPolarHBondContact CG2-ND2 3.49Å; I553-N557 VanDerWaalsContact O-CB 3.31Å; I553-N557 WeakPolarHBondContact O-CB 3.4Å; I553-N557 PolarHBondContact O-N 3.14Å; I553-N557 VanDerWaalsContact O-N 3.09Å; I553-N557 PolarHBondContact O-ND2 3.13Å; V554-N557 CarbonylContact O-C 3.59Å; V554-N557 PolarHBondContact O-N 2.91Å; V554-N557 VanDerWaalsContact O-N 3.09Å; K555-N557 VanDerWaalsContact C-N 3.33Å; N557-N559 PolarHBondContact O-N 3.38Å; N557-S560 WeakPolarHBondContact O-CB 3.44Å; N557-S560 PolarHBondContact O-N 3.39Å; N557-S560 PolarHBondContact O-OG 3.34Å; N557-V563 WeakPolarHBondContact O-CG2 3.41Å |
| 558 | E | 92.9 | Very high | 93 | Very high | 78 Ų | 78 | 50.7 Ų | 50.7 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -29.4 | -174.8 | 71.6 | -178.5 | -173.6 | 0 | 0 | 113.5 | V554 V563 G592 | V554-E558 WeakPolarHBondContact O-CB 3.22Å; V554-E558 PolarHBondContact O-N 3.4Å; E558-V563 VanDerWaalsContact O-CG1 3.26Å; E558-V563 WeakPolarHBondContact O-CG1 3.15Å; E558-G592 VanDerWaalsContact CA-O 3.26Å; E558-G592 WeakPolarHBondContact CA-O 3.43Å; E558-G592 PolarHBondContact N-O 3.13Å |
| 559 | N | 92.3 | Very high | 93.1 | Very high | 98 Ų | 98 | 49.4 Ų | 49.4 | 52% | 0.524 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 7.1 | -178.1 | -73.3 | -54.5 | 0 | 0 | 0 | 113.5 | N557 K564 | N557-N559 PolarHBondContact O-N 3.38Å; N559-K564 WeakPolarHBondContact O-CE 3.32Å; N559-K564 PolarHBondContact O-NZ 3.39Å |
| 560 | S | 94.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | trans | -61 | 152.2 | 177.9 | 62.4 | 0 | 0 | 0 | 0 | 111.7 | N492 N493 N557 I562 V563 K564 | N492-S560 PolarHBondContact ND2-OG 3.31Å; N493-S560 VanDerWaalsContact OD1-CA 3.24Å; N493-S560 WeakPolarHBondContact OD1-CA 3.42Å; N493-S560 VanDerWaalsContact OD1-CB 3.24Å; N493-S560 WeakPolarHBondContact OD1-CB 3.49Å; N557-S560 WeakPolarHBondContact O-CB 3.44Å; N557-S560 PolarHBondContact O-N 3.39Å; N557-S560 PolarHBondContact O-OG 3.34Å; S560-I562 VanDerWaalsContact C-N 3.27Å; S560-I562 PolarHBondContact O-N 3.29Å; S560-V563 PolarHBondContact O-N 2.59Å; S560-V563 WeakPolarHBondContact OG-CB 3.44Å; S560-V563 WeakPolarHBondContact OG-CG2 3.35Å; S560-V563 PolarHBondContact OG-N 2.84Å; S560-K564 PolarHBondContact O-N 3.31Å | ||
| 561 | E | 94.4 | Very high | 93.1 | Very high | 114 Ų | 114 | 56.6 Ų | 56.6 | 53% | 0.533 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | -178.3 | -65 | -165.1 | 161.9 | 0 | 0 | 111.7 | N493 F504 K564 A565 | N493-E561 PolarHBondContact OD1-N 2.96Å; F504-E561 HydrophobicContact CE1-CB 4.02Å; F504-E561 HydrophobicContact CZ-CB 4.11Å; E561-K564 PolarHBondContact O-N 3.23Å; E561-A565 VanDerWaalsContact O-CB 3.25Å; E561-A565 WeakPolarHBondContact O-CB 3.48Å; E561-A565 PolarHBondContact O-N 3.19Å |
| 562 | I | 94.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 177.6 | -166 | 172.1 | 0 | 0 | 0 | 111.9 | N492 Y496 F504 S560 Q566 V573 M574 L591 | N492-I562 HydrophobicContact CB-CG2 3.82Å; Y496-I562 HydrophobicContact CD1-CD1 3.87Å; Y496-I562 HydrophobicContact CD2-CD1 3.85Å; Y496-I562 HydrophobicContact CD2-CG2 4.3Å; Y496-I562 HydrophobicContact CE1-CD1 4.3Å; Y496-I562 HydrophobicContact CE2-CD1 4.3Å; Y496-I562 HydrophobicContact CG-CD1 3.64Å; F504-I562 HydrophobicContact CB-CD1 3.64Å; F504-I562 HydrophobicContact CB-CG1 3.97Å; F504-I562 HydrophobicContact CD1-CB 3.77Å; F504-I562 HydrophobicContact CD1-CD1 4.23Å; F504-I562 HydrophobicContact CD1-CG1 3.95Å; F504-I562 HydrophobicContact CD2-CB 4.47Å; F504-I562 HydrophobicContact CD2-CG1 4.04Å; F504-I562 HydrophobicContact CE1-CB 3.89Å; F504-I562 HydrophobicContact CE1-CG1 4.44Å; F504-I562 HydrophobicContact CG-CB 4.06Å; F504-I562 HydrophobicContact CG-CD1 3.94Å; F504-I562 HydrophobicContact CG-CG1 3.71Å; F504-I562 HydrophobicContact CZ-CB 4.31Å; S560-I562 VanDerWaalsContact C-N 3.27Å; S560-I562 PolarHBondContact O-N 3.29Å; I562-Q566 VanDerWaalsContact O-CB 3.26Å; I562-Q566 WeakPolarHBondContact O-CB 3.12Å; I562-Q566 PolarHBondContact O-N 2.9Å; I562-V573 HydrophobicContact CD1-CG2 4.25Å; I562-V573 HydrophobicContact CG1-CG2 3.66Å; I562-M574 HydrophobicContact CD1-CG 4.08Å; I562-M574 HydrophobicContact CD1-SD 4.21Å; I562-L591 HydrophobicContact CD1-CD1 4.4Å; I562-L591 HydrophobicContact CD1-CD2 3.93Å; I562-L591 HydrophobicContact CG1-CD1 4.13Å; I562-L591 HydrophobicContact CG1-CD2 4.43Å; I562-L591 HydrophobicContact CG2-CD2 4.41Å |
| 563 | V | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.7 | -47.3 | 176.5 | 167.7 | 0 | 0 | 0 | 0 | 110.4 | N557 E558 S560 A565 Q566 R567 L588 L591 | N557-V563 WeakPolarHBondContact O-CG2 3.41Å; E558-V563 VanDerWaalsContact O-CG1 3.26Å; E558-V563 WeakPolarHBondContact O-CG1 3.15Å; S560-V563 PolarHBondContact O-N 2.59Å; S560-V563 WeakPolarHBondContact OG-CB 3.44Å; S560-V563 WeakPolarHBondContact OG-CG2 3.35Å; S560-V563 PolarHBondContact OG-N 2.84Å; V563-A565 VanDerWaalsContact C-N 3.35Å; V563-A565 PolarHBondContact O-N 3.07Å; V563-Q566 PolarHBondContact O-N 3.32Å; V563-R567 WeakPolarHBondContact O-CG 3.43Å; V563-R567 PolarHBondContact O-N 2.85Å; V563-L588 HydrophobicContact CG1-CD2 4.47Å; V563-L591 HydrophobicContact CG2-CB 3.67Å; V563-L591 VanDerWaalsContact CG2-O 3.29Å; V563-L591 WeakPolarHBondContact CG2-O 3.29Å |
| 564 | K | 94.8 | Very high | 93.1 | Very high | 106 Ų | 106 | 56.2 Ų | 56.2 | 46% | 0.461 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.3 | -49.3 | 175.8 | -73.1 | 169.4 | 175.2 | 155.5 | 0 | 111.1 | N559 S560 E561 Q566 R567 D568 | N559-K564 WeakPolarHBondContact O-CE 3.32Å; N559-K564 PolarHBondContact O-NZ 3.39Å; S560-K564 PolarHBondContact O-N 3.31Å; E561-K564 PolarHBondContact O-N 3.23Å; K564-Q566 VanDerWaalsContact C-N 3.35Å; K564-Q566 PolarHBondContact O-N 3.38Å; K564-R567 PolarHBondContact O-N 2.82Å; K564-D568 PolarHBondContact O-N 2.95Å |
| 565 | A | 94 | Very high | 93 | Very high | 25 Ų | 25 | 59.6 Ų | 59.6 | 21% | 0.207 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | F504 E561 V563 R567 D568 T569 V573 | F504-A565 HydrophobicContact CD2-CB 4.48Å; F504-A565 HydrophobicContact CE2-CB 3.5Å; F504-A565 HydrophobicContact CZ-CB 3.98Å; E561-A565 VanDerWaalsContact O-CB 3.25Å; E561-A565 WeakPolarHBondContact O-CB 3.48Å; E561-A565 PolarHBondContact O-N 3.19Å; V563-A565 VanDerWaalsContact C-N 3.35Å; V563-A565 PolarHBondContact O-N 3.07Å; A565-R567 VanDerWaalsContact C-N 3.35Å; A565-R567 PolarHBondContact O-N 3.27Å; A565-D568 PolarHBondContact O-N 2.95Å; A565-T569 WeakPolarHBondContact O-CG2 3.35Å; A565-V573 HydrophobicContact CB-CG1 4.22Å |
| 566 | Q | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.5 | -30.2 | 179.7 | -174.3 | 59.1 | 75.9 | 0 | 0 | 113.1 | I562 V563 K564 D568 I571 V573 T587 L588 L591 | I562-Q566 VanDerWaalsContact O-CB 3.26Å; I562-Q566 WeakPolarHBondContact O-CB 3.12Å; I562-Q566 PolarHBondContact O-N 2.9Å; V563-Q566 PolarHBondContact O-N 3.32Å; K564-Q566 VanDerWaalsContact C-N 3.35Å; K564-Q566 PolarHBondContact O-N 3.38Å; Q566-D568 VanDerWaalsContact C-N 3.33Å; Q566-I571 PolarHBondContact NE2-O 2.64Å; Q566-I571 PolarHBondContact OE1-O 2.87Å; Q566-V573 HydrophobicContact CB-CG1 4.28Å; Q566-V573 HydrophobicContact CB-CG2 4.16Å; Q566-T587 HydrophobicContact CG-CG2 4.05Å; Q566-L588 HydrophobicContact CB-CD2 3.99Å; Q566-L588 HydrophobicContact CG-CD2 3.87Å; Q566-L588 HydrophobicContact CG-CG 4.26Å; Q566-L591 HydrophobicContact CB-CD1 4Å; Q566-L591 HydrophobicContact CG-CD1 4.06Å |
| 567 | R | 93.3 | Very high | 92.9 | Very high | 112 Ų | 112 | 60.4 Ų | 60.4 | 42% | 0.423 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 174.7 | -74 | -175.3 | -162.3 | -83.7 | 9 | 111.6 | V563 K564 A565 T569 K584 L588 G593 | V563-R567 WeakPolarHBondContact O-CG 3.43Å; V563-R567 PolarHBondContact O-N 2.85Å; K564-R567 PolarHBondContact O-N 2.82Å; A565-R567 VanDerWaalsContact C-N 3.35Å; A565-R567 PolarHBondContact O-N 3.27Å; R567-T569 VanDerWaalsContact C-N 3.26Å; R567-T569 PolarHBondContact O-N 3.22Å; R567-K584 WeakPolarHBondContact O-CE 3.31Å; R567-K584 PolarHBondContact O-NZ 3.02Å; R567-K584 VanDerWaalsContact O-NZ 3.11Å; R567-L588 HydrophobicContact CB-CD2 4.39Å; R567-L588 HydrophobicContact CG-CD1 4.13Å; R567-L588 HydrophobicContact CG-CD2 3.5Å; R567-L588 HydrophobicContact CG-CG 4.5Å; R567-G593 PolarHBondContact NH1-O 3.17Å; R567-G593 PolarHBondContact NH2-O 2.89Å |
| 568 | D | 92.4 | Very high | 92.9 | Very high | 145 Ų | 145 | 69.1 Ų | 69.1 | 78% | 0.775 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -6.8 | -173.2 | -65.9 | -21 | 0 | 0 | 0 | 114 | K564 A565 Q566 | K564-D568 PolarHBondContact O-N 2.95Å; A565-D568 PolarHBondContact O-N 2.95Å; Q566-D568 VanDerWaalsContact C-N 3.33Å |
| 569 | T | 92.2 | Very high | 92.8 | Very high | 43 Ų | 43 | 66.1 Ų | 66.1 | 26% | 0.264 | 33% | 0.33 | S | S | . | . | trans | -135.9 | 155.2 | -177.9 | -172.5 | 0 | 0 | 0 | 0 | 113.2 | A565 R567 I571 V573 K584 | A565-T569 WeakPolarHBondContact O-CG2 3.35Å; R567-T569 VanDerWaalsContact C-N 3.26Å; R567-T569 PolarHBondContact O-N 3.22Å; T569-I571 VanDerWaalsContact C-N 3.3Å; T569-I571 WeakPolarHBondContact CG2-O 3.46Å; T569-I571 PolarHBondContact OG1-N 3.45Å; T569-V573 HydrophobicContact CG2-CG1 3.69Å; T569-K584 WeakPolarHBondContact O-CE 3.26Å; T569-K584 PolarHBondContact O-NZ 3.09Å | ||
| 570 | D | 92.4 | Very high | 92.7 | Very high | 81 Ų | 81 | 66.1 Ų | 66.1 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -98 | 19.8 | 170.9 | -55.8 | -31.4 | 0 | 0 | 0 | 111.5 | L579 K584 | D570-L579 PolarHBondContact O-N 3.07Å; D570-K584 WeakPolarHBondContact OD1-CD 3.34Å; D570-K584 IonicContact OD1-NZ 3.66Å; D570-K584 PolarHBondContact OD1-NZ 3.17Å |
| 571 | I | 92.5 | Very high | 92.4 | Very high | 72 Ų | 72 | 72.5 Ų | 72.5 | 37% | 0.369 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -113.8 | 137.1 | 175.7 | -59 | 175.1 | 0 | 0 | 0 | 107.5 | Q566 T569 V573 E577 | Q566-I571 PolarHBondContact NE2-O 2.64Å; Q566-I571 PolarHBondContact OE1-O 2.87Å; T569-I571 VanDerWaalsContact C-N 3.3Å; T569-I571 WeakPolarHBondContact CG2-O 3.46Å; T569-I571 PolarHBondContact OG1-N 3.45Å; I571-V573 PolarHBondContact O-N 2.77Å; I571-V573 VanDerWaalsContact O-N 3.12Å; I571-E577 CarbonylContact C-O 3.51Å; I571-E577 WeakPolarHBondContact CA-O 3.26Å |
| 572 | N | 92.1 | Very high | 91.8 | Very high | 18 Ų | 18 | 70.2 Ų | 70.2 | 10% | 0.096 | 37% | 0.365 | C | S | . | . | trans | -64.1 | 114.4 | 173.1 | -173.1 | -42.3 | 0 | 0 | 0 | 109 | M574 T575 N576 E577 L579 | N572-M574 PolarHBondContact O-N 3.01Å; N572-M574 WeakPolarHBondContact OD1-CA 3.49Å; N572-M574 WeakPolarHBondContact OD1-CB 3.14Å; N572-M574 PolarHBondContact OD1-N 3.47Å; N572-T575 VanDerWaalsContact CB-OG1 3.29Å; N572-T575 WeakPolarHBondContact CB-OG1 3.26Å; N572-T575 PolarHBondContact O-N 2.91Å; N572-T575 PolarHBondContact OD1-N 2.95Å; N572-N576 WeakPolarHBondContact O-CA 3.3Å; N572-N576 PolarHBondContact O-N 2.94Å; N572-E577 PolarHBondContact N-O 3Å; N572-L579 HydrophobicContact CB-CD1 4.07Å; N572-L579 HydrophobicContact CB-CD2 3.96Å; N572-L579 HydrophobicContact CB-CG 4.05Å | ||
| 573 | V | 93 | Very high | 91.5 | Very high | 10 Ų | 10 | 72.9 Ų | 72.9 | 6% | 0.061 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -13.5 | -175.2 | -61.3 | 0 | 0 | 0 | 0 | 113.1 | N503 F504 I562 A565 Q566 T569 I571 | N503-V573 CarbonylContact C-O 3.58Å; N503-V573 WeakPolarHBondContact CA-O 3.17Å; N503-V573 WeakPolarHBondContact CB-O 3.42Å; N503-V573 PolarHBondContact ND2-O 3.28Å; F504-V573 HydrophobicContact CD2-CB 4.03Å; F504-V573 HydrophobicContact CD2-CG2 3.99Å; F504-V573 PolarHBondContact N-O 3.03Å; I562-V573 HydrophobicContact CD1-CG2 4.25Å; I562-V573 HydrophobicContact CG1-CG2 3.66Å; A565-V573 HydrophobicContact CB-CG1 4.22Å; Q566-V573 HydrophobicContact CB-CG1 4.28Å; Q566-V573 HydrophobicContact CB-CG2 4.16Å; T569-V573 HydrophobicContact CG2-CG1 3.69Å; I571-V573 PolarHBondContact O-N 2.77Å; I571-V573 VanDerWaalsContact O-N 3.12Å |
| 574 | M | 91.8 | Very high | 91.4 | Very high | 56 Ų | 56 | 74.8 Ų | 74.8 | 28% | 0.276 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -44.5 | 175.3 | -58.3 | 172.1 | -77.1 | 0 | 0 | 112.4 | Y496 I562 N572 T587 L591 | Y496-M574 HydrophobicContact CE1-SD 4.02Å; I562-M574 HydrophobicContact CD1-CG 4.08Å; I562-M574 HydrophobicContact CD1-SD 4.21Å; N572-M574 PolarHBondContact O-N 3.01Å; N572-M574 WeakPolarHBondContact OD1-CA 3.49Å; N572-M574 WeakPolarHBondContact OD1-CB 3.14Å; N572-M574 PolarHBondContact OD1-N 3.47Å; M574-T587 HydrophobicContact CE-CG2 4.44Å; M574-L591 HydrophobicContact CE-CD2 4.21Å; M574-L591 HydrophobicContact SD-CD2 4.45Å |
| 575 | T | 90.7 | Very high | 91.1 | Very high | 75 Ų | 75 | 73.6 Ų | 73.6 | 46% | 0.46 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -11.8 | -172 | 68.2 | 0 | 0 | 0 | 0 | 115.1 | N572 E577 | N572-T575 VanDerWaalsContact CB-OG1 3.29Å; N572-T575 WeakPolarHBondContact CB-OG1 3.26Å; N572-T575 PolarHBondContact O-N 2.91Å; N572-T575 PolarHBondContact OD1-N 2.95Å; T575-E577 PolarHBondContact O-N 3.32Å; T575-E577 WeakPolarHBondContact OG1-CB 3.17Å; T575-E577 PolarHBondContact OG1-N 3.42Å; T575-E577 PolarHBondContact OG1-OE2 3.39Å |
| 576 | N | 89.3 | Confident | 90.7 | Very high | 103 Ų | 103 | 75.3 Ų | 75.3 | 55% | 0.551 | 40% | 0.396 | S | S | * | . | trans | 62 | 13.8 | -169.5 | -82.9 | -33.9 | 0 | 0 | 0 | 115.4 | N503 N572 | N503-N576 PolarHBondContact ND2-ND2 3.09Å; N503-N576 VanDerWaalsContact ND2-ND2 3.11Å; N503-N576 PolarHBondContact ND2-OD1 3.07Å; N503-N576 PolarHBondContact OD1-ND2 3.49Å; N503-N576 VanDerWaalsContact OD1-ND2 3.09Å; N503-N576 PolarHBondContact OD1-OD1 3.13Å; N572-N576 WeakPolarHBondContact O-CA 3.3Å; N572-N576 PolarHBondContact O-N 2.94Å | ||
| 577 | E | 92 | Very high | 90.6 | Very high | 126 Ų | 126 | 76 Ų | 76 | 59% | 0.589 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -82.9 | 143.6 | 175.5 | -65.8 | 175.2 | 145.6 | 0 | 0 | 111.3 | I571 N572 T575 L579 | I571-E577 CarbonylContact C-O 3.51Å; I571-E577 WeakPolarHBondContact CA-O 3.26Å; N572-E577 PolarHBondContact N-O 3Å; T575-E577 PolarHBondContact O-N 3.32Å; T575-E577 WeakPolarHBondContact OG1-CB 3.17Å; T575-E577 PolarHBondContact OG1-N 3.42Å; T575-E577 PolarHBondContact OG1-OE2 3.39Å; E577-L579 PolarHBondContact O-N 3.37Å |
| 578 | K | 93 | Very high | 90.5 | Very high | 186 Ų | 186 | 71.6 Ų | 71.6 | 81% | 0.809 | 39% | 0.385 | S | S | * | . | B | Isolated β-bridge | trans | -70.5 | 129.3 | 175.1 | -173.5 | 177.3 | -179.5 | -179.7 | 0 | 109.9 | ||
| 579 | L | 91 | Very high | 90.4 | Very high | 16 Ų | 16 | 65.4 Ų | 65.4 | 8% | 0.084 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -96.4 | 140.9 | 175.9 | -58.1 | -176.9 | 0 | 0 | 0 | 109.9 | D570 N572 E577 T583 K584 T587 | D570-L579 PolarHBondContact O-N 3.07Å; N572-L579 HydrophobicContact CB-CD1 4.07Å; N572-L579 HydrophobicContact CB-CD2 3.96Å; N572-L579 HydrophobicContact CB-CG 4.05Å; E577-L579 PolarHBondContact O-N 3.37Å; L579-T583 HydrophobicContact CD2-CG2 3.68Å; L579-K584 HydrophobicContact CB-CB 4.21Å; L579-K584 HydrophobicContact CD1-CB 4.4Å; L579-T587 HydrophobicContact CD1-CG2 4.35Å |
| 580 | D | 91.2 | Very high | 90.4 | Very high | 97 Ų | 97 | 68.4 Ų | 68.4 | 52% | 0.519 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 171.1 | 159.5 | 63 | 22.3 | 0 | 0 | 0 | 110.3 | A582 T583 K584 | D580-A582 VanDerWaalsContact C-N 3.28Å; D580-A582 PolarHBondContact O-N 3.5Å; D580-A582 PolarHBondContact OD1-N 2.91Å; D580-T583 PolarHBondContact O-N 2.77Å; D580-T583 WeakPolarHBondContact OD1-CB 3.38Å; D580-T583 PolarHBondContact OD1-N 3.37Å; D580-T583 PolarHBondContact OD1-OG1 3.5Å; D580-K584 WeakPolarHBondContact O-CB 3.09Å; D580-K584 PolarHBondContact O-N 2.92Å |
| 581 | D | 86.7 | Confident | 90.5 | Very high | 136 Ų | 136 | 64.7 Ų | 64.7 | 73% | 0.727 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -57.7 | -40.5 | -175 | -62.6 | -25.2 | 0 | 0 | 0 | 112.5 | K584 E585 | D581-K584 PolarHBondContact O-N 2.67Å; D581-E585 PolarHBondContact O-N 2.96Å; D581-E585 VanDerWaalsContact O-N 3.08Å |
| 582 | A | 83.7 | Confident | 90.5 | Very high | 67 Ų | 67 | 61.2 Ų | 61.2 | 55% | 0.554 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -68.5 | -41.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | D580 E585 S586 | D580-A582 VanDerWaalsContact C-N 3.28Å; D580-A582 PolarHBondContact O-N 3.5Å; D580-A582 PolarHBondContact OD1-N 2.91Å; A582-E585 PolarHBondContact O-N 3.13Å; A582-S586 PolarHBondContact O-N 2.92Å; A582-S586 VanDerWaalsContact O-N 3.08Å; A582-S586 PolarHBondContact O-OG 3.48Å |
| 583 | T | 87.2 | Confident | 90.4 | Very high | 57 Ų | 57 | 60.6 Ų | 60.6 | 35% | 0.35 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -73.7 | -31.7 | 178.5 | -47.5 | 0 | 0 | 0 | 0 | 111.2 | L579 D580 S586 T587 | L579-T583 HydrophobicContact CD2-CG2 3.68Å; D580-T583 PolarHBondContact O-N 2.77Å; D580-T583 WeakPolarHBondContact OD1-CB 3.38Å; D580-T583 PolarHBondContact OD1-N 3.37Å; D580-T583 PolarHBondContact OD1-OG1 3.5Å; T583-S586 WeakPolarHBondContact CA-OG 3.42Å; T583-S586 PolarHBondContact O-OG 3.19Å; T583-T587 VanDerWaalsContact O-CB 3.27Å; T583-T587 WeakPolarHBondContact O-CB 3.44Å; T583-T587 PolarHBondContact O-N 2.91Å; T583-T587 PolarHBondContact O-OG1 3.44Å |
| 584 | K | 91.4 | Very high | 90.1 | Very high | 39 Ų | 39 | 61.8 Ų | 61.8 | 17% | 0.17 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 171.7 | -176.8 | 176.9 | -176.9 | 173.5 | 0 | 111.1 | R567 T569 D570 L579 D580 D581 T587 L588 | R567-K584 WeakPolarHBondContact O-CE 3.31Å; R567-K584 PolarHBondContact O-NZ 3.02Å; R567-K584 VanDerWaalsContact O-NZ 3.11Å; T569-K584 WeakPolarHBondContact O-CE 3.26Å; T569-K584 PolarHBondContact O-NZ 3.09Å; D570-K584 WeakPolarHBondContact OD1-CD 3.34Å; D570-K584 IonicContact OD1-NZ 3.66Å; D570-K584 PolarHBondContact OD1-NZ 3.17Å; L579-K584 HydrophobicContact CB-CB 4.21Å; L579-K584 HydrophobicContact CD1-CB 4.4Å; D580-K584 WeakPolarHBondContact O-CB 3.09Å; D580-K584 PolarHBondContact O-N 2.92Å; D581-K584 PolarHBondContact O-N 2.67Å; K584-T587 PolarHBondContact O-N 2.92Å; K584-L588 HydrophobicContact CG-CD1 4.29Å; K584-L588 WeakPolarHBondContact O-CB 3.35Å; K584-L588 WeakPolarHBondContact O-CG 3.37Å; K584-L588 PolarHBondContact O-N 3.48Å |
| 585 | E | 88.2 | Confident | 89.9 | Confident | 81 Ų | 81 | 61.5 Ų | 61.5 | 38% | 0.379 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 178.8 | -161.6 | -175.2 | 172.1 | 0 | 0 | 112 | K306 D581 A582 T587 L588 A589 | K306-E585 IonicContact NZ-OE1 3.63Å; K306-E585 PolarHBondContact NZ-OE1 3.38Å; K306-E585 IonicContact NZ-OE2 3.1Å; K306-E585 PolarHBondContact NZ-OE2 3.25Å; D581-E585 PolarHBondContact O-N 2.96Å; D581-E585 VanDerWaalsContact O-N 3.08Å; A582-E585 PolarHBondContact O-N 3.13Å; E585-T587 VanDerWaalsContact C-N 3.35Å; E585-T587 PolarHBondContact O-N 3.13Å; E585-L588 PolarHBondContact O-N 3.36Å; E585-A589 WeakPolarHBondContact O-CB 3.31Å; E585-A589 PolarHBondContact O-N 2.91Å |
| 586 | S | 86.8 | Confident | 89.8 | Confident | 61 Ų | 61 | 60.2 Ų | 60.2 | 43% | 0.427 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.5 | -35.3 | 176.4 | 68 | 0 | 0 | 0 | 0 | 112.9 | A582 T583 A589 Y590 | A582-S586 PolarHBondContact O-N 2.92Å; A582-S586 VanDerWaalsContact O-N 3.08Å; A582-S586 PolarHBondContact O-OG 3.48Å; T583-S586 WeakPolarHBondContact CA-OG 3.42Å; T583-S586 PolarHBondContact O-OG 3.19Å; S586-A589 PolarHBondContact O-N 2.99Å; S586-Y590 WeakPolarHBondContact O-CB 3.36Å; S586-Y590 PolarHBondContact O-N 3.43Å |
| 587 | T | 91.1 | Very high | 89.8 | Confident | 14 Ų | 14 | 55.3 Ų | 55.3 | 9% | 0.086 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 174.3 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | Q566 M574 L579 T583 K584 E585 Y590 L591 | Q566-T587 HydrophobicContact CG-CG2 4.05Å; M574-T587 HydrophobicContact CE-CG2 4.44Å; L579-T587 HydrophobicContact CD1-CG2 4.35Å; T583-T587 VanDerWaalsContact O-CB 3.27Å; T583-T587 WeakPolarHBondContact O-CB 3.44Å; T583-T587 PolarHBondContact O-N 2.91Å; T583-T587 PolarHBondContact O-OG1 3.44Å; K584-T587 PolarHBondContact O-N 2.92Å; E585-T587 VanDerWaalsContact C-N 3.35Å; E585-T587 PolarHBondContact O-N 3.13Å; T587-Y590 PolarHBondContact O-N 3.35Å; T587-L591 HydrophobicContact CG2-CD1 4.2Å; T587-L591 WeakPolarHBondContact O-CG 3.48Å; T587-L591 PolarHBondContact O-N 3.05Å |
| 588 | L | 92.6 | Very high | 89.6 | Confident | 20 Ų | 20 | 50.7 Ų | 50.7 | 11% | 0.105 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.6 | -45.6 | 174.9 | -76.8 | 171.3 | 0 | 0 | 0 | 111.7 | V563 Q566 R567 K584 E585 Y590 L591 G592 G593 | V563-L588 HydrophobicContact CG1-CD2 4.47Å; Q566-L588 HydrophobicContact CB-CD2 3.99Å; Q566-L588 HydrophobicContact CG-CD2 3.87Å; Q566-L588 HydrophobicContact CG-CG 4.26Å; R567-L588 HydrophobicContact CB-CD2 4.39Å; R567-L588 HydrophobicContact CG-CD1 4.13Å; R567-L588 HydrophobicContact CG-CD2 3.5Å; R567-L588 HydrophobicContact CG-CG 4.5Å; K584-L588 HydrophobicContact CG-CD1 4.29Å; K584-L588 WeakPolarHBondContact O-CB 3.35Å; K584-L588 WeakPolarHBondContact O-CG 3.37Å; K584-L588 PolarHBondContact O-N 3.48Å; E585-L588 PolarHBondContact O-N 3.36Å; L588-Y590 VanDerWaalsContact C-N 3.35Å; L588-Y590 PolarHBondContact O-N 3.38Å; L588-L591 PolarHBondContact O-N 3.04Å; L588-G592 PolarHBondContact O-N 2.96Å; L588-G593 WeakPolarHBondContact O-CA 3.42Å; L588-G593 PolarHBondContact O-N 3.1Å |
| 589 | A | 90.4 | Very high | 89.4 | Confident | 16 Ų | 16 | 41.9 Ų | 41.9 | 13% | 0.132 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.2 | -47.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V375 E585 S586 L591 G592 D594 | V375-A589 CarbonylContact O-C 3.56Å; E585-A589 WeakPolarHBondContact O-CB 3.31Å; E585-A589 PolarHBondContact O-N 2.91Å; S586-A589 PolarHBondContact O-N 2.99Å; A589-L591 VanDerWaalsContact C-N 3.3Å; A589-L591 PolarHBondContact O-N 3.37Å; A589-G592 WeakPolarHBondContact O-CA 3.32Å; A589-G592 PolarHBondContact O-N 3.04Å; A589-D594 HydrophobicContact CB-CB 4.05Å |
| 590 | Y | 91.6 | Very high | 89.5 | Confident | 105 Ų | 105 | 41.1 Ų | 41.1 | 41% | 0.412 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58 | -41.3 | 177.9 | 177.3 | -97.1 | 0 | 0 | 0 | 112.4 | V375 G377 S586 T587 L588 G592 | V375-Y590 WeakPolarHBondContact O-CA 3.31Å; V375-Y590 PolarHBondContact O-N 3.38Å; V375-Y590 VanDerWaalsContact O-N 3.09Å; G377-Y590 VanDerWaalsContact CA-CE2 3.48Å; G377-Y590 PolarHBondContact N-O 3.27Å; S586-Y590 WeakPolarHBondContact O-CB 3.36Å; S586-Y590 PolarHBondContact O-N 3.43Å; T587-Y590 PolarHBondContact O-N 3.35Å; L588-Y590 VanDerWaalsContact C-N 3.35Å; L588-Y590 PolarHBondContact O-N 3.38Å; Y590-G592 PolarHBondContact O-N 3.02Å |
| 591 | L | 93.6 | Very high | 89.5 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -1.8 | 176.5 | -65.7 | 173.7 | 0 | 0 | 0 | 113.5 | N492 Y496 I562 V563 Q566 M574 T587 L588 A589 | N492-L591 PolarHBondContact ND2-O 3.01Å; Y496-L591 HydrophobicContact CE2-CD2 4.45Å; I562-L591 HydrophobicContact CD1-CD1 4.4Å; I562-L591 HydrophobicContact CD1-CD2 3.93Å; I562-L591 HydrophobicContact CG1-CD1 4.13Å; I562-L591 HydrophobicContact CG1-CD2 4.43Å; I562-L591 HydrophobicContact CG2-CD2 4.41Å; V563-L591 HydrophobicContact CG2-CB 3.67Å; V563-L591 VanDerWaalsContact CG2-O 3.29Å; V563-L591 WeakPolarHBondContact CG2-O 3.29Å; Q566-L591 HydrophobicContact CB-CD1 4Å; Q566-L591 HydrophobicContact CG-CD1 4.06Å; M574-L591 HydrophobicContact CE-CD2 4.21Å; M574-L591 HydrophobicContact SD-CD2 4.45Å; T587-L591 HydrophobicContact CG2-CD1 4.2Å; T587-L591 WeakPolarHBondContact O-CG 3.48Å; T587-L591 PolarHBondContact O-N 3.05Å; L588-L591 PolarHBondContact O-N 3.04Å; A589-L591 VanDerWaalsContact C-N 3.3Å; A589-L591 PolarHBondContact O-N 3.37Å |
| 592 | G | 92 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | 19.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | E558 L588 A589 Y590 | E558-G592 VanDerWaalsContact CA-O 3.26Å; E558-G592 WeakPolarHBondContact CA-O 3.43Å; E558-G592 PolarHBondContact N-O 3.13Å; L588-G592 PolarHBondContact O-N 2.96Å; A589-G592 WeakPolarHBondContact O-CA 3.32Å; A589-G592 PolarHBondContact O-N 3.04Å; Y590-G592 PolarHBondContact O-N 3.02Å |
| 593 | G | 90.2 | Very high | 90.1 | Very high | 5 Ų | 5 | 27 Ų | 27 | 5% | 0.052 | 15% | 0.149 | C | C | . | . | trans | -87 | 3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R567 L588 | R567-G593 PolarHBondContact NH1-O 3.17Å; R567-G593 PolarHBondContact NH2-O 2.89Å; L588-G593 WeakPolarHBondContact O-CA 3.42Å; L588-G593 PolarHBondContact O-N 3.1Å | ||
| 594 | D | 88 | Confident | 90.2 | Very high | 34 Ų | 34 | 24.6 Ų | 24.6 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | trans | -134 | 125.4 | 175.6 | -166.5 | -4 | 0 | 0 | 0 | 110.4 | V554 A589 I596 | V554-D594 WeakPolarHBondContact CG1-O 3.34Å; A589-D594 HydrophobicContact CB-CB 4.05Å; D594-I596 VanDerWaalsContact C-N 3.33Å; D594-I596 WeakPolarHBondContact OD1-CB 3.36Å; D594-I596 WeakPolarHBondContact OD1-CG1 3.45Å; D594-I596 PolarHBondContact OD1-N 3.41Å | ||
| 595 | S | 86.5 | Confident | 90 | Very high | 50 Ų | 50 | 25.8 Ų | 25.8 | 35% | 0.35 | 14% | 0.143 | S | C | . | . | trans | -83.9 | -11.8 | 176.5 | 61.2 | 0 | 0 | 0 | 0 | 113.2 | R374 | R374-S595 PolarHBondContact NE-O 2.77Å; R374-S595 PolarHBondContact NH2-O 3.03Å | ||
| 596 | I | 89 | Confident | 89.7 | Confident | 48 Ų | 48 | 25.1 Ų | 25.1 | 25% | 0.246 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -74.7 | 127.5 | -176.4 | -58.8 | -160.6 | 0 | 0 | 0 | 110.4 | I351 D594 | I351-I596 HydrophobicContact CB-CG2 4.04Å; I351-I596 HydrophobicContact CG2-CG2 3.78Å; I351-I596 WeakPolarHBondContact O-CD1 3.48Å; I351-I596 WeakPolarHBondContact O-CG2 3.49Å; D594-I596 VanDerWaalsContact C-N 3.33Å; D594-I596 WeakPolarHBondContact OD1-CB 3.36Å; D594-I596 WeakPolarHBondContact OD1-CG1 3.45Å; D594-I596 PolarHBondContact OD1-N 3.41Å |
| 597 | P | 90 | Very high | 89.4 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | trans | -67.2 | 142.8 | 176.4 | 29.8 | -35.9 | 0 | 0 | 0 | 111.4 | I351 V356 F372 T373 R374 S599 I600 | I351-P597 HydrophobicContact CG2-CG 4.36Å; V356-P597 HydrophobicContact CG2-CG 3.88Å; F372-P597 HydrophobicContact CB-CB 4.21Å; F372-P597 HydrophobicContact CD1-CB 4.2Å; F372-P597 HydrophobicContact CD1-CG 3.91Å; T373-P597 CarbonylContact O-C 3.59Å; T373-P597 VanDerWaalsContact O-CA 3.32Å; T373-P597 WeakPolarHBondContact O-CA 3.29Å; T373-P597 WeakPolarHBondContact O-CB 3.47Å; R374-P597 HydrophobicContact CG-CB 4.39Å; P597-S599 VanDerWaalsContact C-N 3.32Å; P597-I600 HydrophobicContact CB-CG1 4.28Å; P597-I600 HydrophobicContact CG-CD1 4.06Å; P597-I600 HydrophobicContact CG-CG1 3.73Å | ||
| 598 | S | 86.9 | Confident | 89 | Confident | 29 Ų | 29 | 32.6 Ų | 32.6 | 20% | 0.203 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -74 | -28.1 | 171.1 | 61.5 | 0 | 0 | 0 | 0 | 112.1 | K306 T373 | K306-S598 WeakPolarHBondContact CB-O 3.21Å; K306-S598 PolarHBondContact N-O 3.26Å; T373-S598 PolarHBondContact O-N 3.41Å; T373-S598 PolarHBondContact O-OG 2.9Å |
| 599 | S | 90.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 138.8 | 177.5 | -167.3 | 0 | 0 | 0 | 0 | 111.1 | T303 I304 S305 T373 S410 P597 | T303-S599 VanDerWaalsContact CG2-OG 3.3Å; T303-S599 WeakPolarHBondContact CG2-OG 3.38Å; I304-S599 CarbonylContact O-C 3.5Å; I304-S599 VanDerWaalsContact O-CA 3.3Å; I304-S599 WeakPolarHBondContact O-CA 3.09Å; S305-S599 PolarHBondContact OG-OG 3.44Å; T373-S599 PolarHBondContact N-O 3.48Å; T373-S599 PolarHBondContact O-N 3.24Å; S410-S599 VanDerWaalsContact O-CB 3.27Å; S410-S599 WeakPolarHBondContact O-CB 3.39Å; S410-S599 PolarHBondContact O-OG 3.29Å; P597-S599 VanDerWaalsContact C-N 3.32Å |
| 600 | I | 92.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.1 | 175.3 | -50.7 | 176.1 | 0 | 0 | 0 | 108.3 | T303 I304 I351 Y355 V356 I359 I370 G371 F372 P597 I602 | T303-I600 CarbonylContact C-O 3.59Å; T303-I600 WeakPolarHBondContact CA-O 3.02Å; I304-I600 HydrophobicContact CB-CB 4.18Å; I304-I600 HydrophobicContact CD1-CB 4.28Å; I304-I600 HydrophobicContact CD1-CG2 4.44Å; I304-I600 PolarHBondContact N-O 3.12Å; I304-I600 PolarHBondContact O-N 3.09Å; I351-I600 HydrophobicContact CG2-CD1 4.14Å; Y355-I600 HydrophobicContact CD1-CD1 4.13Å; Y355-I600 HydrophobicContact CE1-CD1 4.1Å; V356-I600 HydrophobicContact CG2-CD1 4.47Å; I359-I600 HydrophobicContact CG1-CD1 4.35Å; I359-I600 HydrophobicContact CG2-CG2 3.97Å; I370-I600 HydrophobicContact CG2-CG2 4.15Å; G371-I600 CarbonylContact O-C 3.57Å; G371-I600 WeakPolarHBondContact O-CA 3.4Å; F372-I600 HydrophobicContact CD1-CB 4.48Å; F372-I600 HydrophobicContact CD1-CD1 4.43Å; F372-I600 HydrophobicContact CD1-CG1 3.98Å; F372-I600 HydrophobicContact CD1-CG2 4.05Å; F372-I600 HydrophobicContact CE1-CD1 4.15Å; F372-I600 HydrophobicContact CE1-CG1 4.13Å; F372-I600 HydrophobicContact CE1-CG2 3.79Å; P597-I600 HydrophobicContact CB-CG1 4.28Å; P597-I600 HydrophobicContact CG-CD1 4.06Å; P597-I600 HydrophobicContact CG-CG1 3.73Å; I600-I602 HydrophobicContact CG2-CG1 4.32Å |
| 601 | M | 91.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 118 | 177.3 | -65.6 | 174.4 | -75.2 | 0 | 0 | 109.1 | P301 I302 T303 I370 G371 T373 G413 V416 Y603 | P301-M601 HydrophobicContact CB-CB 4.01Å; I302-M601 WeakPolarHBondContact O-CA 3.43Å; T303-M601 HydrophobicContact CG2-CG 4.49Å; I370-M601 CarbonylContact C-O 3.55Å; I370-M601 WeakPolarHBondContact CA-O 3.41Å; G371-M601 PolarHBondContact N-O 3.27Å; G371-M601 PolarHBondContact O-N 3.16Å; T373-M601 WeakPolarHBondContact OG1-CE 3.42Å; G413-M601 WeakPolarHBondContact CA-SD 3.27Å; V416-M601 HydrophobicContact CB-CE 4.38Å; V416-M601 HydrophobicContact CG1-CE 4.09Å; V416-M601 HydrophobicContact CG1-SD 3.95Å; V416-M601 HydrophobicContact CG2-CE 4.01Å; V416-M601 HydrophobicContact CG2-SD 4.15Å; M601-Y603 HydrophobicContact CB-CD2 4.31Å; M601-Y603 HydrophobicContact CB-CE2 3.51Å; M601-Y603 WeakPolarHBondContact O-CD2 3.33Å; M601-Y603 WeakPolarHBondContact O-CE2 3.21Å; M601-Y603 PolarHBondContact SD-OH 3.16Å |
| 602 | I | 92.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 124.9 | 177.7 | -56.8 | 164.8 | 0 | 0 | 0 | 106.9 | P301 I302 I304 I359 I362 S367 I600 P604 I613 L617 | P301-I602 CarbonylContact C-O 3.53Å; P301-I602 WeakPolarHBondContact CA-O 3.42Å; P301-I602 WeakPolarHBondContact CB-O 3.05Å; I302-I602 HydrophobicContact CB-CB 4.4Å; I302-I602 PolarHBondContact N-O 3.32Å; I302-I602 PolarHBondContact O-N 2.85Å; I304-I602 HydrophobicContact CD1-CD1 3.73Å; I359-I602 HydrophobicContact CD1-CD1 3.93Å; I359-I602 HydrophobicContact CG2-CD1 4.23Å; I359-I602 HydrophobicContact CG2-CG1 4.17Å; I362-I602 HydrophobicContact CD1-CD1 3.9Å; I362-I602 HydrophobicContact CD1-CG1 4.37Å; I362-I602 HydrophobicContact CD1-CG2 4.09Å; S367-I602 WeakPolarHBondContact OG-CG2 3.37Å; I600-I602 HydrophobicContact CG2-CG1 4.32Å; I602-P604 VanDerWaalsContact O-CD 3.31Å; I602-P604 WeakPolarHBondContact O-CD 3.45Å; I602-I613 HydrophobicContact CG2-CD1 4.33Å; I602-I613 HydrophobicContact CG2-CG2 3.98Å; I602-L617 HydrophobicContact CD1-CD1 4Å; I602-L617 HydrophobicContact CD1-CD2 3.83Å; I602-L617 HydrophobicContact CD1-CG 4.44Å |
| 603 | Y | 89.3 | Confident | 88.5 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 99.6 | -173.7 | -62.5 | -105.2 | 0 | 0 | 0 | 109.5 | P301 S367 N369 P420 F430 M536 L538 M601 | P301-Y603 HydrophobicContact CB-CD1 3.95Å; P301-Y603 HydrophobicContact CB-CD2 4.38Å; P301-Y603 HydrophobicContact CB-CE1 3.97Å; P301-Y603 HydrophobicContact CB-CE2 4.37Å; P301-Y603 HydrophobicContact CB-CG 4.18Å; P301-Y603 HydrophobicContact CG-CD1 4.42Å; P301-Y603 HydrophobicContact CG-CE1 4.09Å; S367-Y603 PolarHBondContact OG-O 3.16Å; S367-Y603 VanDerWaalsContact OG-O 3.11Å; N369-Y603 HydrophobicContact CB-CD2 4.32Å; N369-Y603 HydrophobicContact CB-CG 4.36Å; N369-Y603 WeakPolarHBondContact O-CB 3.35Å; N369-Y603 VanDerWaalsContact O-CD2 3.28Å; N369-Y603 WeakPolarHBondContact O-CD2 3.45Å; N369-Y603 PolarHBondContact O-N 2.81Å; N369-Y603 VanDerWaalsContact O-N 3.15Å; P420-Y603 HydrophobicContact CB-CD2 4.23Å; P420-Y603 HydrophobicContact CB-CE2 3.84Å; P420-Y603 HydrophobicContact CG-CD2 4.31Å; P420-Y603 HydrophobicContact CG-CE2 3.94Å; F430-Y603 HydrophobicContact CD2-CD1 4.44Å; F430-Y603 HydrophobicContact CD2-CE1 4.39Å; F430-Y603 HydrophobicContact CE2-CD1 4.07Å; F430-Y603 AromaticContact CE2-CE1 3.72Å; F430-Y603 HydrophobicContact CE2-CE1 3.72Å; F430-Y603 HydrophobicContact CZ-CE1 4.43Å; M536-Y603 HydrophobicContact CE-CD1 3.65Å; M536-Y603 HydrophobicContact CE-CE1 4.36Å; L538-Y603 HydrophobicContact CD1-CD1 3.95Å; L538-Y603 HydrophobicContact CD1-CE1 3.45Å; L538-Y603 VanDerWaalsContact CD1-CE1 3.45Å; M601-Y603 HydrophobicContact CB-CD2 4.31Å; M601-Y603 HydrophobicContact CB-CE2 3.51Å; M601-Y603 WeakPolarHBondContact O-CD2 3.33Å; M601-Y603 WeakPolarHBondContact O-CE2 3.21Å; M601-Y603 PolarHBondContact SD-OH 3.16Å |
| 604 | P | 89.7 | Confident | 88.6 | Confident | 6 Ų | 6 | 39 Ų | 39 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | trans | -61 | 141 | 179.6 | -19.9 | 33.1 | 0 | 0 | 0 | 111.2 | I302 I602 N606 K610 I613 | I302-P604 HydrophobicContact CD1-CG 4.25Å; I602-P604 VanDerWaalsContact O-CD 3.31Å; I602-P604 WeakPolarHBondContact O-CD 3.45Å; P604-N606 VanDerWaalsContact C-N 3.31Å; P604-N606 PolarHBondContact O-N 2.93Å; P604-K610 HydrophobicContact CB-CB 3.91Å; P604-K610 HydrophobicContact CB-CG 4.32Å; P604-K610 HydrophobicContact CG-CB 3.98Å; P604-K610 HydrophobicContact CG-CD 4.28Å; P604-K610 HydrophobicContact CG-CG 3.81Å; P604-I613 HydrophobicContact CB-CD1 3.86Å; P604-I613 HydrophobicContact CG-CD1 4.03Å | ||
| 605 | N | 85.9 | Confident | 88.9 | Confident | 63 Ų | 63 | 40.3 Ų | 40.3 | 34% | 0.337 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -67.4 | -34.6 | 176.8 | -68 | -20.6 | 0 | 0 | 0 | 111.4 | P364 K365 L366 N368 | P364-N605 PolarHBondContact O-ND2 3.33Å; P364-N605 VanDerWaalsContact O-ND2 3.08Å; K365-N605 PolarHBondContact O-ND2 3.39Å; L366-N605 PolarHBondContact O-N 3.48Å; N368-N605 PolarHBondContact N-OD1 3.19Å |
| 606 | N | 82.9 | Confident | 89.3 | Confident | 68 Ų | 68 | 40.7 Ų | 40.7 | 36% | 0.364 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -156.7 | 178.1 | 172.9 | 64 | 65.5 | 0 | 0 | 0 | 111.8 | P604 K608 D609 K610 | P604-N606 VanDerWaalsContact C-N 3.31Å; P604-N606 PolarHBondContact O-N 2.93Å; N606-K608 PolarHBondContact O-N 3.2Å; N606-K608 WeakPolarHBondContact OD1-CA 3.29Å; N606-K608 WeakPolarHBondContact OD1-CB 3.21Å; N606-K608 PolarHBondContact OD1-N 2.85Å; N606-D609 VanDerWaalsContact CG-OD2 3.27Å; N606-D609 PolarHBondContact ND2-OD2 3.02Å; N606-D609 PolarHBondContact O-N 3.35Å; N606-D609 PolarHBondContact OD1-N 3.3Å; N606-K610 PolarHBondContact O-N 3.37Å |
| 607 | Y | 79.5 | Confident | 89.5 | Confident | 77 Ų | 77 | 38.4 Ų | 38.4 | 30% | 0.302 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.9 | -39.9 | -179.7 | -176.6 | -95.6 | 0 | 0 | 0 | 114.3 | A294 A298 K610 | A294-Y607 HydrophobicContact CB-CD1 4.09Å; A294-Y607 HydrophobicContact CB-CD2 3.48Å; A294-Y607 VanDerWaalsContact CB-CD2 3.48Å; A294-Y607 HydrophobicContact CB-CE1 4.44Å; A294-Y607 HydrophobicContact CB-CE2 3.85Å; A294-Y607 HydrophobicContact CB-CG 3.61Å; A298-Y607 HydrophobicContact CB-CD2 3.94Å; A298-Y607 HydrophobicContact CB-CG 4.22Å; Y607-K610 VanDerWaalsContact O-CB 3.24Å; Y607-K610 WeakPolarHBondContact O-CB 3.47Å; Y607-K610 PolarHBondContact O-N 3.19Å |
| 608 | K | 83.5 | Confident | 89.7 | Confident | 155 Ų | 155 | 41.8 Ų | 41.8 | 67% | 0.674 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -72 | -35.8 | -177.3 | -64.6 | -178.2 | 179 | 177.2 | 0 | 111.9 | N606 K610 E611 | N606-K608 PolarHBondContact O-N 3.2Å; N606-K608 WeakPolarHBondContact OD1-CA 3.29Å; N606-K608 WeakPolarHBondContact OD1-CB 3.21Å; N606-K608 PolarHBondContact OD1-N 2.85Å; K608-K610 PolarHBondContact O-N 3.47Å; K608-E611 PolarHBondContact O-N 3.23Å |
| 609 | D | 89 | Confident | 90.1 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 13% | 0.128 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.7 | -31.9 | 177 | -62.6 | -19.6 | 0 | 0 | 0 | 111 | L366 N606 E611 Q612 I613 | L366-D609 HydrophobicContact CB-CB 4.32Å; L366-D609 HydrophobicContact CD2-CB 3.93Å; N606-D609 VanDerWaalsContact CG-OD2 3.27Å; N606-D609 PolarHBondContact ND2-OD2 3.02Å; N606-D609 PolarHBondContact O-N 3.35Å; N606-D609 PolarHBondContact OD1-N 3.3Å; D609-E611 PolarHBondContact O-N 2.97Å; D609-Q612 WeakPolarHBondContact O-CB 3.41Å; D609-Q612 PolarHBondContact O-N 3.44Å; D609-Q612 VanDerWaalsContact O-N 3.13Å; D609-I613 WeakPolarHBondContact O-CG1 3.38Å; D609-I613 PolarHBondContact O-N 2.89Å |
| 610 | K | 88.7 | Confident | 90.2 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57 | -46.2 | 176.4 | -169 | -179 | 178.8 | -167.9 | 0 | 112.9 | I302 P604 N606 Y607 K608 Q612 I613 L614 D634 | I302-K610 HydrophobicContact CD1-CG 4.06Å; P604-K610 HydrophobicContact CB-CB 3.91Å; P604-K610 HydrophobicContact CB-CG 4.32Å; P604-K610 HydrophobicContact CG-CB 3.98Å; P604-K610 HydrophobicContact CG-CD 4.28Å; P604-K610 HydrophobicContact CG-CG 3.81Å; N606-K610 PolarHBondContact O-N 3.37Å; Y607-K610 VanDerWaalsContact O-CB 3.24Å; Y607-K610 WeakPolarHBondContact O-CB 3.47Å; Y607-K610 PolarHBondContact O-N 3.19Å; K608-K610 PolarHBondContact O-N 3.47Å; K610-Q612 PolarHBondContact O-N 3.24Å; K610-I613 WeakPolarHBondContact O-CB 3.41Å; K610-I613 PolarHBondContact O-N 3.39Å; K610-I613 VanDerWaalsContact O-N 3.11Å; K610-L614 HydrophobicContact CG-CD1 4.43Å; K610-L614 HydrophobicContact CG-CG 4.45Å; K610-L614 VanDerWaalsContact O-CG 3.3Å; K610-L614 WeakPolarHBondContact O-CG 2.92Å; K610-L614 PolarHBondContact O-N 3.22Å; K610-D634 WeakPolarHBondContact CE-OD1 3.46Å; K610-D634 WeakPolarHBondContact CE-OD2 3.28Å; K610-D634 IonicContact NZ-OD1 3.3Å; K610-D634 PolarHBondContact NZ-OD1 3.39Å; K610-D634 IonicContact NZ-OD2 3.17Å; K610-D634 PolarHBondContact NZ-OD2 3.31Å |
| 611 | E | 87.5 | Confident | 90.2 | Very high | 116 Ų | 116 | 46.8 Ų | 46.8 | 54% | 0.542 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.1 | -37.8 | 177.7 | -69.3 | -179.3 | 178 | 0 | 0 | 111.9 | K608 D609 L614 S615 | K608-E611 PolarHBondContact O-N 3.23Å; D609-E611 PolarHBondContact O-N 2.97Å; E611-L614 PolarHBondContact O-N 3.26Å; E611-S615 PolarHBondContact O-N 3.39Å |
| 612 | Q | 91.7 | Very high | 90.2 | Very high | 106 Ų | 106 | 53.9 Ų | 53.9 | 50% | 0.495 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.6 | -38.7 | 176.2 | -66.3 | 174.4 | 69.2 | 0 | 0 | 111.8 | L366 D609 K610 S615 Y616 | L366-Q612 HydrophobicContact CD1-CB 4.09Å; L366-Q612 HydrophobicContact CD2-CB 4.03Å; D609-Q612 WeakPolarHBondContact O-CB 3.41Å; D609-Q612 PolarHBondContact O-N 3.44Å; D609-Q612 VanDerWaalsContact O-N 3.13Å; K610-Q612 PolarHBondContact O-N 3.24Å; Q612-S615 PolarHBondContact O-N 2.87Å; Q612-Y616 WeakPolarHBondContact O-CB 3.39Å; Q612-Y616 PolarHBondContact O-N 3.46Å |
| 613 | I | 92.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 173 | -64.7 | 163.7 | 0 | 0 | 0 | 110.3 | I302 L366 I602 P604 D609 K610 S615 Y616 L617 | I302-I613 HydrophobicContact CD1-CB 4.19Å; I302-I613 HydrophobicContact CD1-CG2 3.61Å; L366-I613 HydrophobicContact CB-CD1 4.19Å; L366-I613 HydrophobicContact CB-CG1 3.91Å; I602-I613 HydrophobicContact CG2-CD1 4.33Å; I602-I613 HydrophobicContact CG2-CG2 3.98Å; P604-I613 HydrophobicContact CB-CD1 3.86Å; P604-I613 HydrophobicContact CG-CD1 4.03Å; D609-I613 WeakPolarHBondContact O-CG1 3.38Å; D609-I613 PolarHBondContact O-N 2.89Å; K610-I613 WeakPolarHBondContact O-CB 3.41Å; K610-I613 PolarHBondContact O-N 3.39Å; K610-I613 VanDerWaalsContact O-N 3.11Å; I613-S615 VanDerWaalsContact C-N 3.32Å; I613-S615 PolarHBondContact O-N 3.23Å; I613-Y616 WeakPolarHBondContact O-CB 3.33Å; I613-Y616 PolarHBondContact O-N 2.86Å; I613-Y616 VanDerWaalsContact O-N 3.1Å; I613-L617 HydrophobicContact CG2-CD1 4.13Å; I613-L617 HydrophobicContact CG2-CG 4.27Å; I613-L617 VanDerWaalsContact O-CG 3.32Å; I613-L617 WeakPolarHBondContact O-CG 3.21Å; I613-L617 PolarHBondContact O-N 3.46Å |
| 614 | L | 92.7 | Very high | 90.2 | Very high | 31 Ų | 31 | 61.4 Ų | 61.4 | 16% | 0.162 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 177.7 | -65.4 | 176.6 | 0 | 0 | 0 | 111 | I302 K610 E611 Y616 L617 D618 Y632 | I302-L614 HydrophobicContact CD1-CD2 3.64Å; I302-L614 HydrophobicContact CD1-CG 4.19Å; I302-L614 HydrophobicContact CG1-CD2 4.15Å; K610-L614 HydrophobicContact CG-CD1 4.43Å; K610-L614 HydrophobicContact CG-CG 4.45Å; K610-L614 VanDerWaalsContact O-CG 3.3Å; K610-L614 WeakPolarHBondContact O-CG 2.92Å; K610-L614 PolarHBondContact O-N 3.22Å; E611-L614 PolarHBondContact O-N 3.26Å; L614-Y616 VanDerWaalsContact C-N 3.31Å; L614-Y616 PolarHBondContact O-N 3.14Å; L614-L617 PolarHBondContact O-N 3.41Å; L614-D618 WeakPolarHBondContact O-CB 3.48Å; L614-D618 VanDerWaalsContact O-CG 3.28Å; L614-D618 PolarHBondContact O-N 3.04Å; L614-Y632 HydrophobicContact CD2-CD2 3.93Å; L614-Y632 HydrophobicContact CD2-CE2 3.38Å |
| 615 | S | 93.6 | Very high | 90.1 | Very high | 62 Ų | 62 | 68.5 Ų | 68.5 | 43% | 0.434 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 173.9 | -173.7 | 0 | 0 | 0 | 0 | 112.4 | E611 Q612 I613 D618 D619 | E611-S615 PolarHBondContact O-N 3.39Å; Q612-S615 PolarHBondContact O-N 2.87Å; I613-S615 VanDerWaalsContact C-N 3.32Å; I613-S615 PolarHBondContact O-N 3.23Å; S615-D618 PolarHBondContact O-N 3.31Å; S615-D619 VanDerWaalsContact O-CG 3.23Å; S615-D619 PolarHBondContact O-N 3.04Å |
| 616 | Y | 94.8 | Very high | 90 | Very high | 57 Ų | 57 | 71.3 Ų | 71.3 | 22% | 0.224 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 175.7 | -179.8 | -94.9 | 0 | 0 | 0 | 111.2 | Y358 I362 Q612 I613 L614 D618 D619 | Y358-Y616 AromaticContact CD1-CE1 3.77Å; Y358-Y616 HydrophobicContact CD1-CE1 3.77Å; Y358-Y616 HydrophobicContact CD2-CE1 4.43Å; Y358-Y616 WeakPolarHBondContact CD2-OH 3.49Å; Y358-Y616 AromaticContact CE1-CD1 3.72Å; Y358-Y616 HydrophobicContact CE1-CD1 3.72Å; Y358-Y616 AromaticContact CE1-CE1 3.21Å; Y358-Y616 HydrophobicContact CE1-CE1 3.21Å; Y358-Y616 AromaticContact CE1-CZ 3.69Å; Y358-Y616 AromaticContact CE2-CE1 3.97Å; Y358-Y616 HydrophobicContact CE2-CE1 3.97Å; Y358-Y616 AromaticContact CE2-CE2 3.99Å; Y358-Y616 HydrophobicContact CE2-CE2 3.99Å; Y358-Y616 AromaticContact CE2-CZ 3.49Å; Y358-Y616 VanDerWaalsContact CE2-CZ 3.49Å; Y358-Y616 VanDerWaalsContact CE2-OH 3.29Å; Y358-Y616 WeakPolarHBondContact CE2-OH 3.44Å; Y358-Y616 HydrophobicContact CG-CE1 4.35Å; Y358-Y616 AromaticContact CZ-CD1 3.85Å; Y358-Y616 AromaticContact CZ-CE1 3.32Å; Y358-Y616 AromaticContact CZ-CE2 3.78Å; Y358-Y616 AromaticContact CZ-CZ 3.28Å; Y358-Y616 PolarHBondContact O-OH 2.92Å; Y358-Y616 PolarHBondContact OH-O 3.12Å; I362-Y616 HydrophobicContact CD1-CD1 4.32Å; I362-Y616 HydrophobicContact CD1-CE1 4.25Å; I362-Y616 HydrophobicContact CG1-CD1 3.8Å; I362-Y616 HydrophobicContact CG1-CE1 3.46Å; I362-Y616 VanDerWaalsContact CG1-CE1 3.46Å; Q612-Y616 WeakPolarHBondContact O-CB 3.39Å; Q612-Y616 PolarHBondContact O-N 3.46Å; I613-Y616 WeakPolarHBondContact O-CB 3.33Å; I613-Y616 PolarHBondContact O-N 2.86Å; I613-Y616 VanDerWaalsContact O-N 3.1Å; L614-Y616 VanDerWaalsContact C-N 3.31Å; L614-Y616 PolarHBondContact O-N 3.14Å; Y616-D618 VanDerWaalsContact C-N 3.31Å; Y616-D618 PolarHBondContact O-N 3.37Å; Y616-D619 WeakPolarHBondContact O-CB 3.46Å; Y616-D619 PolarHBondContact O-N 2.99Å; Y616-D619 VanDerWaalsContact O-N 3.16Å |
| 617 | L | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.2 | -38.3 | 176.7 | -62.7 | 177.2 | 0 | 0 | 0 | 112.3 | I302 I304 I359 I602 I613 L614 D619 Y620 Y632 | I302-L617 HydrophobicContact CG2-CD1 3.87Å; I304-L617 HydrophobicContact CD1-CD2 4.37Å; I359-L617 HydrophobicContact CD1-CD2 3.38Å; I602-L617 HydrophobicContact CD1-CD1 4Å; I602-L617 HydrophobicContact CD1-CD2 3.83Å; I602-L617 HydrophobicContact CD1-CG 4.44Å; I613-L617 HydrophobicContact CG2-CD1 4.13Å; I613-L617 HydrophobicContact CG2-CG 4.27Å; I613-L617 VanDerWaalsContact O-CG 3.32Å; I613-L617 WeakPolarHBondContact O-CG 3.21Å; I613-L617 PolarHBondContact O-N 3.46Å; L614-L617 PolarHBondContact O-N 3.41Å; L617-D619 VanDerWaalsContact C-N 3.3Å; L617-D619 PolarHBondContact O-N 2.77Å; L617-Y620 PolarHBondContact O-N 3.07Å; L617-Y632 HydrophobicContact CB-CD1 3.86Å; L617-Y632 HydrophobicContact CB-CE1 3.77Å; L617-Y632 HydrophobicContact CD1-CD1 3.83Å; L617-Y632 HydrophobicContact CD1-CE1 4.28Å; L617-Y632 HydrophobicContact CD1-CG 4.1Å; L617-Y632 HydrophobicContact CG-CD1 4.5Å |
| 618 | D | 93.4 | Very high | 90.7 | Very high | 72 Ų | 72 | 74.1 Ų | 74.1 | 39% | 0.385 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.9 | -31.2 | 176.8 | -74 | -17.8 | 0 | 0 | 0 | 112.5 | L614 S615 Y616 Y620 N621 K622 Y632 | L614-D618 WeakPolarHBondContact O-CB 3.48Å; L614-D618 VanDerWaalsContact O-CG 3.28Å; L614-D618 PolarHBondContact O-N 3.04Å; S615-D618 PolarHBondContact O-N 3.31Å; Y616-D618 VanDerWaalsContact C-N 3.31Å; Y616-D618 PolarHBondContact O-N 3.37Å; D618-Y620 VanDerWaalsContact C-N 3.31Å; D618-Y620 PolarHBondContact O-N 2.77Å; D618-N621 WeakPolarHBondContact O-CB 3.46Å; D618-N621 PolarHBondContact O-N 3.35Å; D618-K622 PolarHBondContact O-N 2.91Å; D618-Y632 VanDerWaalsContact OD1-CE1 3.25Å; D618-Y632 WeakPolarHBondContact OD1-CE1 3.45Å; D618-Y632 PolarHBondContact OD1-OH 3.34Å; D618-Y632 PolarHBondContact OD2-OH 3.24Å |
| 619 | D | 95 | Very high | 91.1 | Very high | 69 Ų | 69 | 70.9 Ų | 70.9 | 37% | 0.369 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.2 | -37.6 | 177 | -76.3 | -16.3 | 0 | 0 | 0 | 112.1 | S615 Y616 L617 N621 K622 | S615-D619 VanDerWaalsContact O-CG 3.23Å; S615-D619 PolarHBondContact O-N 3.04Å; Y616-D619 WeakPolarHBondContact O-CB 3.46Å; Y616-D619 PolarHBondContact O-N 2.99Å; Y616-D619 VanDerWaalsContact O-N 3.16Å; L617-D619 VanDerWaalsContact C-N 3.3Å; L617-D619 PolarHBondContact O-N 2.77Å; D619-N621 PolarHBondContact O-N 3.25Å; D619-K622 WeakPolarHBondContact O-CB 3.45Å; D619-K622 PolarHBondContact O-N 3.22Å; D619-K622 WeakPolarHBondContact OD1-CE 3.39Å; D619-K622 IonicContact OD1-NZ 2.89Å; D619-K622 PolarHBondContact OD1-NZ 3.2Å |
| 620 | Y | 93.3 | Very high | 91.2 | Very high | 47 Ų | 47 | 69.9 Ų | 69.9 | 18% | 0.184 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.5 | -25.2 | 174.1 | -170.6 | -97.6 | 0 | 0 | 0 | 113.3 | Y355 Y358 L617 D618 K624 I630 | Y355-Y620 AromaticContact CD2-CD1 3.5Å; Y355-Y620 HydrophobicContact CD2-CD1 3.5Å; Y355-Y620 AromaticContact CD2-CD2 3.98Å; Y355-Y620 HydrophobicContact CD2-CD2 3.98Å; Y355-Y620 AromaticContact CD2-CE1 3.29Å; Y355-Y620 HydrophobicContact CD2-CE1 3.29Å; Y355-Y620 AromaticContact CD2-CE2 3.84Å; Y355-Y620 HydrophobicContact CD2-CE2 3.84Å; Y355-Y620 AromaticContact CD2-CG 3.85Å; Y355-Y620 HydrophobicContact CD2-CG 3.85Å; Y355-Y620 AromaticContact CD2-CZ 3.51Å; Y355-Y620 AromaticContact CE2-CD1 3.56Å; Y355-Y620 HydrophobicContact CE2-CD1 3.56Å; Y355-Y620 HydrophobicContact CE2-CD2 4.38Å; Y355-Y620 AromaticContact CE2-CE1 3.84Å; Y355-Y620 HydrophobicContact CE2-CE1 3.84Å; Y355-Y620 AromaticContact CE2-CG 3.86Å; Y355-Y620 HydrophobicContact CE2-CG 3.86Å; Y355-Y620 HydrophobicContact CG-CE1 4.08Å; Y358-Y620 AromaticContact CD1-CD2 3.72Å; Y358-Y620 HydrophobicContact CD1-CD2 3.72Å; Y358-Y620 HydrophobicContact CD1-CE2 4.45Å; Y358-Y620 HydrophobicContact CD1-CG 4.12Å; Y358-Y620 HydrophobicContact CD2-CD2 4.12Å; Y358-Y620 AromaticContact CE1-CD2 3.93Å; Y358-Y620 HydrophobicContact CE1-CD2 3.93Å; Y358-Y620 HydrophobicContact CE1-CG 4.07Å; Y358-Y620 HydrophobicContact CE2-CD2 4.32Å; Y358-Y620 AromaticContact CG-CD2 3.81Å; Y358-Y620 HydrophobicContact CG-CD2 3.81Å; Y358-Y620 HydrophobicContact CG-CE2 4.27Å; L617-Y620 PolarHBondContact O-N 3.07Å; D618-Y620 VanDerWaalsContact C-N 3.31Å; D618-Y620 PolarHBondContact O-N 2.77Å; Y620-K624 WeakPolarHBondContact O-CE 3.48Å; Y620-K624 PolarHBondContact O-NZ 3.48Å; Y620-K624 PolarHBondContact OH-NZ 3.18Å; Y620-I630 HydrophobicContact CD1-CD1 4.02Å; Y620-I630 HydrophobicContact CD1-CG1 4.5Å; Y620-I630 HydrophobicContact CE1-CD1 3.51Å; Y620-I630 HydrophobicContact CE1-CG1 4.25Å |
| 621 | N | 92.6 | Very high | 91.4 | Very high | 19 Ų | 19 | 71.2 Ų | 71.2 | 10% | 0.102 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -7.8 | -179.7 | -74.9 | -35.5 | 0 | 0 | 0 | 113.9 | D618 D619 G623 K624 K629 I630 | D618-N621 WeakPolarHBondContact O-CB 3.46Å; D618-N621 PolarHBondContact O-N 3.35Å; D619-N621 PolarHBondContact O-N 3.25Å; N621-G623 PolarHBondContact O-N 2.7Å; N621-K624 PolarHBondContact O-N 3.35Å; N621-K629 HydrophobicContact CB-CG 4.19Å; N621-K629 WeakPolarHBondContact OD1-CA 3.33Å; N621-I630 PolarHBondContact ND2-O 3.38Å; N621-I630 PolarHBondContact OD1-N 3.29Å |
| 622 | K | 91.3 | Very high | 91.5 | Very high | 151 Ų | 151 | 68.1 Ų | 68.1 | 66% | 0.657 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 129.1 | 179.4 | -73.1 | 177.5 | 174.2 | 168.3 | 0 | 110.7 | D618 D619 K624 | D618-K622 PolarHBondContact O-N 2.91Å; D619-K622 WeakPolarHBondContact O-CB 3.45Å; D619-K622 PolarHBondContact O-N 3.22Å; D619-K622 WeakPolarHBondContact OD1-CE 3.39Å; D619-K622 IonicContact OD1-NZ 2.89Å; D619-K622 PolarHBondContact OD1-NZ 3.2Å; K622-K624 VanDerWaalsContact C-N 3.29Å; K622-K624 PolarHBondContact O-N 3.16Å |
| 623 | G | 90.4 | Very high | 91.4 | Very high | 90 Ų | 90 | 65.2 Ų | 65.2 | 93% | 0.928 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -4.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | N621 | N621-G623 PolarHBondContact O-N 2.7Š|
| 624 | K | 91.7 | Very high | 91.2 | Very high | 70 Ų | 70 | 66.1 Ų | 66.1 | 30% | 0.304 | 34% | 0.338 | S | S | . | . | trans | -84.4 | 147.3 | 179.1 | -63.6 | -171.5 | 177.5 | -178.9 | 0 | 112.7 | Y620 N621 K622 D628 K629 | Y620-K624 WeakPolarHBondContact O-CE 3.48Å; Y620-K624 PolarHBondContact O-NZ 3.48Å; Y620-K624 PolarHBondContact OH-NZ 3.18Å; N621-K624 PolarHBondContact O-N 3.35Å; K622-K624 VanDerWaalsContact C-N 3.29Å; K622-K624 PolarHBondContact O-N 3.16Å; K624-D628 HydrophobicContact CB-CB 4.33Å; K624-D628 WeakPolarHBondContact CD-O 3.32Å; K624-K629 HydrophobicContact CB-CG 4.09Å; K624-K629 WeakPolarHBondContact O-CE 3.07Å | ||
| 625 | K | 88.5 | Confident | 90.7 | Very high | 156 Ų | 156 | 67.6 Ų | 67.6 | 68% | 0.678 | 35% | 0.346 | S | S | * | . | trans | -66.2 | 155.9 | 170 | -66.3 | 179.8 | -179.5 | 176.6 | 0 | 109.8 | E627 D628 K629 | K625-E627 PolarHBondContact O-N 3.06Å; K625-D628 PolarHBondContact O-N 3Å; K625-K629 WeakPolarHBondContact O-CG 3.35Å; K625-K629 PolarHBondContact O-N 3.31Å | ||
| 626 | K | 83.7 | Confident | 90.1 | Very high | 122 Ų | 122 | 64.8 Ų | 64.8 | 53% | 0.53 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -52 | -42.3 | -177.1 | -171.3 | 176.4 | 178.9 | 177.3 | 0 | 112.8 | D310 H347 D628 K629 | D310-K626 WeakPolarHBondContact OD2-CE 3.12Å; D310-K626 IonicContact OD2-NZ 3.49Å; D310-K626 PolarHBondContact OD2-NZ 3.31Å; H347-K626 PolarHBondContact CE1-O 2.86Å; K626-D628 VanDerWaalsContact C-N 3.27Å; K626-D628 PolarHBondContact O-N 3.03Å; K626-K629 PolarHBondContact O-N 2.94Å |
| 627 | E | 85.6 | Confident | 89.5 | Confident | 148 Ų | 148 | 63.1 Ų | 63.1 | 69% | 0.692 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -69 | -20.4 | 179.5 | -62.5 | 165.9 | -160.6 | 0 | 0 | 114.1 | K625 | K625-E627 PolarHBondContact O-N 3.06Š|
| 628 | D | 90.2 | Very high | 88.9 | Confident | 55 Ų | 55 | 64.9 Ų | 64.9 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -103.7 | -2.1 | -177.6 | -60.5 | -46.1 | 0 | 0 | 0 | 112.7 | K350 K624 K625 K626 | K350-D628 IonicContact NZ-OD1 2.77Å; K350-D628 PolarHBondContact NZ-OD1 3.49Å; K624-D628 HydrophobicContact CB-CB 4.33Å; K624-D628 WeakPolarHBondContact CD-O 3.32Å; K625-D628 PolarHBondContact O-N 3Å; K626-D628 VanDerWaalsContact C-N 3.27Å; K626-D628 PolarHBondContact O-N 3.03Å |
| 629 | K | 91.5 | Very high | 88.3 | Confident | 88 Ų | 88 | 65.2 Ų | 65.2 | 38% | 0.383 | 34% | 0.337 | S | S | . | . | trans | -73.3 | 143.7 | 175.3 | -72.7 | -178.7 | 179.3 | -171.1 | 0 | 110 | H347 N349 N621 K624 K625 K626 | H347-K629 PolarHBondContact CE1-O 3.16Å; H347-K629 PolarHBondContact NE2-O 2.99Å; N349-K629 PolarHBondContact OD1-O 3.31Å; N621-K629 HydrophobicContact CB-CG 4.19Å; N621-K629 WeakPolarHBondContact OD1-CA 3.33Å; K624-K629 HydrophobicContact CB-CG 4.09Å; K624-K629 WeakPolarHBondContact O-CE 3.07Å; K625-K629 WeakPolarHBondContact O-CG 3.35Å; K625-K629 PolarHBondContact O-N 3.31Å; K626-K629 PolarHBondContact O-N 2.94Å | ||
| 630 | I | 92.4 | Very high | 87.5 | Confident | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | trans | -92.9 | 114.1 | 171.2 | -61 | -177 | 0 | 0 | 0 | 108.4 | I304 N349 Y355 Y620 N621 | I304-I630 HydrophobicContact CG2-CG2 3.52Å; N349-I630 HydrophobicContact CB-CG2 4.41Å; N349-I630 VanDerWaalsContact OD1-CA 3.32Å; N349-I630 WeakPolarHBondContact OD1-CA 3.4Å; Y355-I630 HydrophobicContact CD1-CD1 3.48Å; Y355-I630 VanDerWaalsContact CD1-CD1 3.48Å; Y355-I630 HydrophobicContact CD2-CD1 3.43Å; Y355-I630 VanDerWaalsContact CD2-CD1 3.43Å; Y355-I630 HydrophobicContact CE1-CD1 3.63Å; Y355-I630 HydrophobicContact CE1-CG2 3.81Å; Y355-I630 HydrophobicContact CE2-CB 4.5Å; Y355-I630 HydrophobicContact CE2-CD1 3.58Å; Y355-I630 HydrophobicContact CE2-CG2 4.44Å; Y355-I630 HydrophobicContact CG-CD1 3.33Å; Y355-I630 WeakPolarHBondContact OH-CG2 3.49Å; Y620-I630 HydrophobicContact CD1-CD1 4.02Å; Y620-I630 HydrophobicContact CD1-CG1 4.5Å; Y620-I630 HydrophobicContact CE1-CD1 3.51Å; Y620-I630 HydrophobicContact CE1-CG1 4.25Å; N621-I630 PolarHBondContact ND2-O 3.38Å; N621-I630 PolarHBondContact OD1-N 3.29Å | ||
| 631 | I | 91.4 | Very high | 86.9 | Confident | 35 Ų | 35 | 65.7 Ų | 65.7 | 18% | 0.179 | 34% | 0.341 | C | S | . | . | trans | -93.4 | 119.9 | 178.8 | -59.8 | -177.8 | 0 | 0 | 0 | 108.4 | T308 D310 H347 N349 | T308-I631 HydrophobicContact CG2-CB 3.74Å; T308-I631 HydrophobicContact CG2-CG2 3.85Å; D310-I631 HydrophobicContact CB-CD1 3.83Å; H347-I631 HydrophobicContact CB-CD1 3.86Å; N349-I631 PolarHBondContact ND2-O 3.03Å; N349-I631 PolarHBondContact OD1-N 3.08Å | ||
| 632 | Y | 91.6 | Very high | 86.5 | Confident | 50 Ų | 50 | 69.3 Ų | 69.3 | 20% | 0.196 | 36% | 0.359 | C | S | . | . | trans | -94.3 | 159.7 | 169.6 | 54.1 | -98.3 | 0 | 0 | 0 | 110.7 | I302 T303 L614 L617 D618 | I302-Y632 HydrophobicContact CG2-CD2 4.01Å; I302-Y632 HydrophobicContact CG2-CG 4.02Å; T303-Y632 CarbonylContact O-C 3.55Å; T303-Y632 WeakPolarHBondContact O-CA 3.42Å; L614-Y632 HydrophobicContact CD2-CD2 3.93Å; L614-Y632 HydrophobicContact CD2-CE2 3.38Å; L617-Y632 HydrophobicContact CB-CD1 3.86Å; L617-Y632 HydrophobicContact CB-CE1 3.77Å; L617-Y632 HydrophobicContact CD1-CD1 3.83Å; L617-Y632 HydrophobicContact CD1-CE1 4.28Å; L617-Y632 HydrophobicContact CD1-CG 4.1Å; L617-Y632 HydrophobicContact CG-CD1 4.5Å; D618-Y632 VanDerWaalsContact OD1-CE1 3.25Å; D618-Y632 WeakPolarHBondContact OD1-CE1 3.45Å; D618-Y632 PolarHBondContact OD1-OH 3.34Å; D618-Y632 PolarHBondContact OD2-OH 3.24Å | ||
| 633 | T | 88.9 | Confident | 86.1 | Confident | 46 Ų | 46 | 64.4 Ų | 64.4 | 28% | 0.282 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -111.7 | 119 | 173.2 | -61.6 | 0 | 0 | 0 | 0 | 109 | T303 T308 | T303-T633 PolarHBondContact N-O 3.43Å; T303-T633 PolarHBondContact O-N 3.17Å; T308-T633 PolarHBondContact OG1-OG1 2.84Å |
| 634 | D | 87.5 | Confident | 85.8 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 10% | 0.102 | 30% | 0.303 | C | S | . | . | trans | -111.7 | 88.2 | 173.5 | 178.3 | 10 | 0 | 0 | 0 | 110.3 | K610 A636 G637 T638 | K610-D634 WeakPolarHBondContact CE-OD1 3.46Å; K610-D634 WeakPolarHBondContact CE-OD2 3.28Å; K610-D634 IonicContact NZ-OD1 3.3Å; K610-D634 PolarHBondContact NZ-OD1 3.39Å; K610-D634 IonicContact NZ-OD2 3.17Å; K610-D634 PolarHBondContact NZ-OD2 3.31Å; D634-A636 VanDerWaalsContact C-N 3.32Å; D634-A636 PolarHBondContact O-N 2.85Å; D634-A636 PolarHBondContact OD1-N 3.44Å; D634-G637 VanDerWaalsContact CG-N 3.26Å; D634-G637 PolarHBondContact O-N 2.86Å; D634-G637 PolarHBondContact OD1-N 3.26Å; D634-G637 VanDerWaalsContact OD2-CA 3.23Å; D634-G637 WeakPolarHBondContact OD2-CA 3.37Å; D634-G637 PolarHBondContact OD2-N 2.78Å; D634-T638 PolarHBondContact O-N 3.14Å; D634-T638 PolarHBondContact O-OG1 3.43Å | ||
| 635 | L | 82.9 | Confident | 85.4 | Confident | 62 Ų | 62 | 59.1 Ų | 59.1 | 33% | 0.325 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | -178.8 | -176.4 | 62.4 | 0 | 0 | 0 | 112.1 | M414 T638 M639 | M414-L635 HydrophobicContact CE-CD2 4.24Å; L635-T638 PolarHBondContact O-N 2.98Å; L635-M639 HydrophobicContact CD1-CE 3.72Å; L635-M639 HydrophobicContact CD1-CG 4.35Å; L635-M639 WeakPolarHBondContact O-CB 3.41Å; L635-M639 WeakPolarHBondContact O-CG 3.26Å; L635-M639 PolarHBondContact O-N 3.39Å |
| 636 | A | 80.9 | Confident | 85.3 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.7 | -38 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M297 Y300 D634 T640 | M297-A636 HydrophobicContact CB-CB 3.87Å; M297-A636 WeakPolarHBondContact O-CB 3.25Å; Y300-A636 HydrophobicContact CD2-CB 4.47Å; D634-A636 VanDerWaalsContact C-N 3.32Å; D634-A636 PolarHBondContact O-N 2.85Å; D634-A636 PolarHBondContact OD1-N 3.44Å; A636-T640 WeakPolarHBondContact O-CB 3.4Å; A636-T640 PolarHBondContact O-N 3.45Å; A636-T640 PolarHBondContact O-OG1 3.37Å |
| 637 | G | 82.2 | Confident | 85.4 | Confident | 22 Ų | 22 | 52.8 Ų | 52.8 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.2 | -47.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D634 M639 T640 E641 | D634-G637 VanDerWaalsContact CG-N 3.26Å; D634-G637 PolarHBondContact O-N 2.86Å; D634-G637 PolarHBondContact OD1-N 3.26Å; D634-G637 VanDerWaalsContact OD2-CA 3.23Å; D634-G637 WeakPolarHBondContact OD2-CA 3.37Å; D634-G637 PolarHBondContact OD2-N 2.78Å; G637-M639 VanDerWaalsContact C-N 3.34Å; G637-M639 PolarHBondContact O-N 2.95Å; G637-T640 WeakPolarHBondContact O-CB 3.47Å; G637-T640 PolarHBondContact O-N 3.22Å; G637-T640 VanDerWaalsContact O-N 3.16Å; G637-E641 WeakPolarHBondContact O-CB 3.25Å; G637-E641 PolarHBondContact O-N 3.35Å |
| 638 | T | 81.8 | Confident | 85.3 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 22% | 0.221 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 176.3 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | D634 L635 T640 E641 L642 | D634-T638 PolarHBondContact O-N 3.14Å; D634-T638 PolarHBondContact O-OG1 3.43Å; L635-T638 PolarHBondContact O-N 2.98Å; T638-T640 VanDerWaalsContact C-N 3.34Å; T638-T640 PolarHBondContact O-N 3.26Å; T638-E641 PolarHBondContact O-N 3.4Å; T638-L642 HydrophobicContact CG2-CD1 4.02Å; T638-L642 HydrophobicContact CG2-CG 4.37Å; T638-L642 WeakPolarHBondContact O-CB 3.47Å; T638-L642 VanDerWaalsContact O-CG 3.25Å; T638-L642 WeakPolarHBondContact O-CG 3.49Å; T638-L642 PolarHBondContact O-N 2.94Å |
| 639 | M | 80.6 | Confident | 85.3 | Confident | 80 Ų | 80 | 49.1 Ų | 49.1 | 39% | 0.394 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.6 | -36.7 | 177.1 | -68.9 | -63.1 | 160.5 | 0 | 0 | 112.4 | Q293 L635 G637 T643 | Q293-M639 PolarHBondContact NE2-O 3.39Å; L635-M639 HydrophobicContact CD1-CE 3.72Å; L635-M639 HydrophobicContact CD1-CG 4.35Å; L635-M639 WeakPolarHBondContact O-CB 3.41Å; L635-M639 WeakPolarHBondContact O-CG 3.26Å; L635-M639 PolarHBondContact O-N 3.39Å; G637-M639 VanDerWaalsContact C-N 3.34Å; G637-M639 PolarHBondContact O-N 2.95Å; M639-T643 VanDerWaalsContact O-CB 3.32Å; M639-T643 WeakPolarHBondContact O-CB 3.34Å; M639-T643 PolarHBondContact O-N 3.48Å; M639-T643 PolarHBondContact O-OG1 2.93Å |
| 640 | T | 79.2 | Confident | 85.2 | Confident | 25 Ų | 25 | 48.6 Ų | 48.6 | 15% | 0.153 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 175.2 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | A636 G637 T638 T643 G644 | A636-T640 WeakPolarHBondContact O-CB 3.4Å; A636-T640 PolarHBondContact O-N 3.45Å; A636-T640 PolarHBondContact O-OG1 3.37Å; G637-T640 WeakPolarHBondContact O-CB 3.47Å; G637-T640 PolarHBondContact O-N 3.22Å; G637-T640 VanDerWaalsContact O-N 3.16Å; T638-T640 VanDerWaalsContact C-N 3.34Å; T638-T640 PolarHBondContact O-N 3.26Å; T640-T643 PolarHBondContact O-N 3.27Å; T640-G644 PolarHBondContact O-N 3.39Å |
| 641 | E | 80.2 | Confident | 85 | Confident | 101 Ų | 101 | 49.1 Ų | 49.1 | 47% | 0.472 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 178.2 | -167.3 | -168.2 | 161 | 0 | 0 | 112 | R315 G637 T638 G645 | R315-E641 IonicContact CZ-OE1 3.48Å; R315-E641 IonicContact NH1-OE1 3.63Å; R315-E641 PolarHBondContact NH1-OE1 2.88Å; R315-E641 VanDerWaalsContact NH2-CD 3.35Å; R315-E641 IonicContact NH2-OE1 3.55Å; R315-E641 PolarHBondContact NH2-OE1 3.45Å; R315-E641 IonicContact NH2-OE2 2.77Å; G637-E641 WeakPolarHBondContact O-CB 3.25Å; G637-E641 PolarHBondContact O-N 3.35Å; T638-E641 PolarHBondContact O-N 3.4Å; E641-G645 PolarHBondContact O-N 3.21Å |
| 642 | L | 84.2 | Confident | 84.9 | Confident | 94 Ų | 94 | 55 Ų | 55 | 49% | 0.492 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 177.3 | -72.4 | 173.4 | 0 | 0 | 0 | 111.9 | T638 L646 | T638-L642 HydrophobicContact CG2-CD1 4.02Å; T638-L642 HydrophobicContact CG2-CG 4.37Å; T638-L642 WeakPolarHBondContact O-CB 3.47Å; T638-L642 VanDerWaalsContact O-CG 3.25Å; T638-L642 WeakPolarHBondContact O-CG 3.49Å; T638-L642 PolarHBondContact O-N 2.94Å; L642-L646 WeakPolarHBondContact O-CB 3.43Å; L642-L646 PolarHBondContact O-N 3.08Å |
| 643 | T | 82.4 | Confident | 84.9 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 30% | 0.301 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.4 | -45.6 | 179 | -52.9 | 0 | 0 | 0 | 0 | 110.5 | I289 M639 T640 L646 M647 | I289-T643 HydrophobicContact CD1-CG2 3.82Å; I289-T643 HydrophobicContact CG1-CG2 4.38Å; M639-T643 VanDerWaalsContact O-CB 3.32Å; M639-T643 WeakPolarHBondContact O-CB 3.34Å; M639-T643 PolarHBondContact O-N 3.48Å; M639-T643 PolarHBondContact O-OG1 2.93Å; T640-T643 PolarHBondContact O-N 3.27Å; T643-L646 PolarHBondContact O-N 3.14Å; T643-M647 WeakPolarHBondContact O-CG 3.49Å; T643-M647 PolarHBondContact O-N 3.23Å |
| 644 | G | 83.6 | Confident | 84.9 | Confident | 10 Ų | 10 | 57.6 Ų | 57.6 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.7 | -47 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | T640 L646 M647 D648 | T640-G644 PolarHBondContact O-N 3.39Å; G644-L646 PolarHBondContact O-N 3.29Å; G644-M647 CarbonylContact O-C 3.57Å; G644-M647 PolarHBondContact O-N 3.07Å; G644-M647 VanDerWaalsContact O-N 3.12Å; G644-D648 PolarHBondContact O-N 3.49Å |
| 645 | G | 84.9 | Confident | 84.9 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 40% | 0.402 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.7 | -37 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E641 A649 | E641-G645 PolarHBondContact O-N 3.21Å; G645-A649 WeakPolarHBondContact O-CB 3.46Å; G645-A649 PolarHBondContact O-N 2.9Å |
| 646 | L | 86.6 | Confident | 85.1 | Confident | 114 Ų | 114 | 59.8 Ų | 59.8 | 60% | 0.597 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.3 | -42.6 | 172.9 | -174.2 | 72.5 | 0 | 0 | 0 | 111.2 | L642 T643 G644 A649 I650 | L642-L646 WeakPolarHBondContact O-CB 3.43Å; L642-L646 PolarHBondContact O-N 3.08Å; T643-L646 PolarHBondContact O-N 3.14Å; G644-L646 PolarHBondContact O-N 3.29Å; L646-A649 WeakPolarHBondContact O-CB 3.46Å; L646-A649 PolarHBondContact O-N 3.4Å; L646-I650 HydrophobicContact CG-CD1 4.23Å; L646-I650 WeakPolarHBondContact O-CG1 3.31Å; L646-I650 PolarHBondContact O-N 3.46Å |
| 647 | M | 84 | Confident | 85.4 | Confident | 30 Ų | 30 | 66.3 Ų | 66.3 | 15% | 0.148 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 178.2 | -72.7 | -59 | -62.6 | 0 | 0 | 112.5 | F285 I289 T643 G644 A649 I650 T651 | F285-M647 HydrophobicContact CB-CE 3.43Å; F285-M647 VanDerWaalsContact CB-CE 3.43Å; F285-M647 HydrophobicContact CD1-CE 4.46Å; F285-M647 HydrophobicContact CD2-CE 4.01Å; F285-M647 HydrophobicContact CG-CE 3.75Å; I289-M647 HydrophobicContact CD1-CG 3.85Å; T643-M647 WeakPolarHBondContact O-CG 3.49Å; T643-M647 PolarHBondContact O-N 3.23Å; G644-M647 CarbonylContact O-C 3.57Å; G644-M647 PolarHBondContact O-N 3.07Å; G644-M647 VanDerWaalsContact O-N 3.12Å; M647-A649 VanDerWaalsContact C-N 3.35Å; M647-I650 PolarHBondContact O-N 3.01Å; M647-I650 HydrophobicContact SD-CD1 4.29Å; M647-T651 VanDerWaalsContact O-CB 3.26Å; M647-T651 WeakPolarHBondContact O-CB 2.89Å; M647-T651 PolarHBondContact O-N 3.5Å; M647-T651 PolarHBondContact O-OG1 3.35Å |
| 648 | D | 85.1 | Confident | 85.6 | Confident | 75 Ų | 75 | 65.6 Ų | 65.6 | 40% | 0.401 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 172.1 | -78.1 | -18.8 | 0 | 0 | 0 | 110.5 | G644 I650 T651 Y652 | G644-D648 PolarHBondContact O-N 3.49Å; D648-I650 PolarHBondContact O-N 3.21Å; D648-T651 WeakPolarHBondContact O-CB 3.49Å; D648-T651 PolarHBondContact O-N 3.31Å; D648-Y652 HydrophobicContact CB-CD2 4.47Å; D648-Y652 HydrophobicContact CB-CE2 4.11Å; D648-Y652 WeakPolarHBondContact O-CD2 3.4Å; D648-Y652 PolarHBondContact O-N 2.93Å |
| 649 | A | 89.8 | Confident | 85.8 | Confident | 51 Ų | 51 | 65.1 Ų | 65.1 | 42% | 0.421 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | G645 L646 M647 T651 Y652 V653 | G645-A649 WeakPolarHBondContact O-CB 3.46Å; G645-A649 PolarHBondContact O-N 2.9Å; L646-A649 WeakPolarHBondContact O-CB 3.46Å; L646-A649 PolarHBondContact O-N 3.4Å; M647-A649 VanDerWaalsContact C-N 3.35Å; A649-T651 VanDerWaalsContact C-N 3.32Å; A649-T651 PolarHBondContact O-N 3.19Å; A649-Y652 PolarHBondContact O-N 3.4Å; A649-V653 WeakPolarHBondContact O-CG2 3.45Å; A649-V653 PolarHBondContact O-N 2.96Å |
| 650 | I | 89.4 | Confident | 86.2 | Confident | 78 Ų | 78 | 66.3 Ų | 66.3 | 40% | 0.4 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61 | -44 | 175.6 | -67.1 | 165.9 | 0 | 0 | 0 | 110.4 | L646 M647 D648 Y652 V653 L654 | L646-I650 HydrophobicContact CG-CD1 4.23Å; L646-I650 WeakPolarHBondContact O-CG1 3.31Å; L646-I650 PolarHBondContact O-N 3.46Å; M647-I650 PolarHBondContact O-N 3.01Å; M647-I650 HydrophobicContact SD-CD1 4.29Å; D648-I650 PolarHBondContact O-N 3.21Å; I650-Y652 PolarHBondContact O-N 2.74Å; I650-V653 PolarHBondContact O-N 3.02Å; I650-L654 HydrophobicContact CG2-CD1 3.9Å; I650-L654 HydrophobicContact CG2-CG 4.3Å; I650-L654 WeakPolarHBondContact O-CB 3.47Å; I650-L654 VanDerWaalsContact O-CG 3.31Å; I650-L654 WeakPolarHBondContact O-CG 3.27Å; I650-L654 PolarHBondContact O-N 3.41Å |
| 651 | T | 87 | Confident | 86.4 | Confident | 12 Ų | 12 | 66.3 Ų | 66.3 | 7% | 0.074 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 178.7 | -61.3 | 0 | 0 | 0 | 0 | 111 | S282 M647 D648 A649 V653 L654 I655 | S282-T651 WeakPolarHBondContact CB-OG1 3.35Å; S282-T651 WeakPolarHBondContact OG-CG2 3.36Å; S282-T651 PolarHBondContact OG-OG1 3.37Å; M647-T651 VanDerWaalsContact O-CB 3.26Å; M647-T651 WeakPolarHBondContact O-CB 2.89Å; M647-T651 PolarHBondContact O-N 3.5Å; M647-T651 PolarHBondContact O-OG1 3.35Å; D648-T651 WeakPolarHBondContact O-CB 3.49Å; D648-T651 PolarHBondContact O-N 3.31Å; A649-T651 VanDerWaalsContact C-N 3.32Å; A649-T651 PolarHBondContact O-N 3.19Å; T651-V653 PolarHBondContact O-N 3.42Å; T651-L654 PolarHBondContact O-N 3.39Å; T651-I655 HydrophobicContact CG2-CD1 3.71Å; T651-I655 HydrophobicContact CG2-CG1 4.31Å; T651-I655 WeakPolarHBondContact O-CB 3.5Å; T651-I655 VanDerWaalsContact O-CG1 3.24Å; T651-I655 WeakPolarHBondContact O-CG1 3.36Å; T651-I655 PolarHBondContact O-N 3.5Å |
| 652 | Y | 89.4 | Confident | 86.6 | Confident | 160 Ų | 160 | 62.9 Ų | 62.9 | 63% | 0.627 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.9 | -40.5 | 177.2 | -70.7 | -49 | 0 | 0 | 0 | 112.6 | D648 A649 I650 I655 A656 | D648-Y652 HydrophobicContact CB-CD2 4.47Å; D648-Y652 HydrophobicContact CB-CE2 4.11Å; D648-Y652 WeakPolarHBondContact O-CD2 3.4Å; D648-Y652 PolarHBondContact O-N 2.93Å; A649-Y652 PolarHBondContact O-N 3.4Å; I650-Y652 PolarHBondContact O-N 2.74Å; Y652-I655 PolarHBondContact O-N 3.35Å; Y652-A656 WeakPolarHBondContact O-CB 3.43Å; Y652-A656 PolarHBondContact O-N 3.28Å |
| 653 | V | 92.1 | Very high | 86.7 | Confident | 81 Ų | 81 | 62.3 Ų | 62.3 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 176 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | A649 I650 T651 A656 F657 | A649-V653 WeakPolarHBondContact O-CG2 3.45Å; A649-V653 PolarHBondContact O-N 2.96Å; I650-V653 PolarHBondContact O-N 3.02Å; T651-V653 PolarHBondContact O-N 3.42Å; V653-A656 WeakPolarHBondContact O-CB 3.31Å; V653-A656 PolarHBondContact O-N 2.8Å; V653-F657 HydrophobicContact CG1-CD2 3.88Å; V653-F657 HydrophobicContact CG1-CE2 3.66Å; V653-F657 VanDerWaalsContact O-CD2 3.24Å; V653-F657 WeakPolarHBondContact O-CD2 3.08Å; V653-F657 PolarHBondContact O-N 3.16Å |
| 654 | L | 89.1 | Confident | 86.8 | Confident | 69 Ų | 69 | 63.7 Ų | 63.7 | 36% | 0.361 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65 | -40 | 178.1 | -69.8 | 176.2 | 0 | 0 | 0 | 112.1 | V278 I650 T651 A656 F657 A658 | V278-L654 HydrophobicContact CB-CB 4.35Å; V278-L654 HydrophobicContact CG1-CB 3.47Å; V278-L654 VanDerWaalsContact CG1-CB 3.47Å; V278-L654 HydrophobicContact CG1-CD1 4.31Å; V278-L654 HydrophobicContact CG2-CB 3.88Å; I650-L654 HydrophobicContact CG2-CD1 3.9Å; I650-L654 HydrophobicContact CG2-CG 4.3Å; I650-L654 WeakPolarHBondContact O-CB 3.47Å; I650-L654 VanDerWaalsContact O-CG 3.31Å; I650-L654 WeakPolarHBondContact O-CG 3.27Å; I650-L654 PolarHBondContact O-N 3.41Å; T651-L654 PolarHBondContact O-N 3.39Å; L654-A656 VanDerWaalsContact C-N 3.31Å; L654-A656 PolarHBondContact O-N 3.48Å; L654-F657 PolarHBondContact O-N 2.85Å; L654-A658 WeakPolarHBondContact O-CB 3.47Å; L654-A658 PolarHBondContact O-N 2.78Å |
| 655 | I | 86.4 | Confident | 86.8 | Confident | 64 Ų | 64 | 63.7 Ų | 63.7 | 33% | 0.328 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 173.6 | -71.6 | 172.1 | 0 | 0 | 0 | 110.6 | V278 L279 T651 Y652 A658 G659 | V278-I655 HydrophobicContact CG1-CG1 4.03Å; L279-I655 HydrophobicContact CD2-CD1 4.14Å; T651-I655 HydrophobicContact CG2-CD1 3.71Å; T651-I655 HydrophobicContact CG2-CG1 4.31Å; T651-I655 WeakPolarHBondContact O-CB 3.5Å; T651-I655 VanDerWaalsContact O-CG1 3.24Å; T651-I655 WeakPolarHBondContact O-CG1 3.36Å; T651-I655 PolarHBondContact O-N 3.5Å; Y652-I655 PolarHBondContact O-N 3.35Å; I655-A658 CarbonylContact O-C 3.56Å; I655-A658 PolarHBondContact O-N 2.64Å; I655-G659 PolarHBondContact O-N 3.46Å |
| 656 | A | 88.3 | Confident | 86.8 | Confident | 63 Ų | 63 | 64.6 Ų | 64.6 | 52% | 0.521 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y652 V653 L654 G659 I660 | Y652-A656 WeakPolarHBondContact O-CB 3.43Å; Y652-A656 PolarHBondContact O-N 3.28Å; V653-A656 WeakPolarHBondContact O-CB 3.31Å; V653-A656 PolarHBondContact O-N 2.8Å; L654-A656 VanDerWaalsContact C-N 3.31Å; L654-A656 PolarHBondContact O-N 3.48Å; A656-G659 PolarHBondContact O-N 3.43Å; A656-I660 PolarHBondContact O-N 2.64Å |
| 657 | F | 87.9 | Confident | 86.9 | Confident | 140 Ų | 140 | 64.1 Ų | 64.1 | 61% | 0.614 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61.3 | -44.2 | 173.1 | -80.9 | -66.5 | 0 | 0 | 0 | 112.1 | V653 L654 G659 I660 | V653-F657 HydrophobicContact CG1-CD2 3.88Å; V653-F657 HydrophobicContact CG1-CE2 3.66Å; V653-F657 VanDerWaalsContact O-CD2 3.24Å; V653-F657 WeakPolarHBondContact O-CD2 3.08Å; V653-F657 PolarHBondContact O-N 3.16Å; L654-F657 PolarHBondContact O-N 2.85Å; F657-G659 PolarHBondContact O-N 3.35Å; F657-I660 HydrophobicContact CD1-CD1 4.5Å; F657-I660 WeakPolarHBondContact O-CB 3.46Å; F657-I660 PolarHBondContact O-N 2.97Å; F657-I660 VanDerWaalsContact O-N 3.16Å |
| 658 | A | 85.8 | Confident | 86.9 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 5% | 0.05 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.5 | -29.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I275 L654 I655 I660 S661 L662 | I275-A658 HydrophobicContact CB-CB 4.34Å; I275-A658 HydrophobicContact CG1-CB 3.43Å; I275-A658 VanDerWaalsContact CG1-CB 3.43Å; L654-A658 WeakPolarHBondContact O-CB 3.47Å; L654-A658 PolarHBondContact O-N 2.78Å; I655-A658 CarbonylContact O-C 3.56Å; I655-A658 PolarHBondContact O-N 2.64Å; A658-I660 VanDerWaalsContact C-N 3.32Å; A658-I660 PolarHBondContact O-N 2.83Å; A658-S661 WeakPolarHBondContact O-CB 3.43Å; A658-S661 PolarHBondContact O-N 2.87Å; A658-S661 VanDerWaalsContact O-N 3.16Å; A658-S661 PolarHBondContact O-OG 2.86Å; A658-L662 PolarHBondContact O-N 3.08Å; A658-L662 VanDerWaalsContact O-N 3.17Å |
| 659 | G | 85.6 | Confident | 86.9 | Confident | 27 Ų | 27 | 63.4 Ų | 63.4 | 28% | 0.278 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.7 | -35.4 | 172 | 0 | 0 | 0 | 0 | 0 | 113.6 | I655 A656 F657 S661 L662 V663 | I655-G659 PolarHBondContact O-N 3.46Å; A656-G659 PolarHBondContact O-N 3.43Å; F657-G659 PolarHBondContact O-N 3.35Å; G659-S661 VanDerWaalsContact C-N 3.34Å; G659-S661 PolarHBondContact O-N 3.3Å; G659-L662 WeakPolarHBondContact O-CB 3.32Å; G659-L662 PolarHBondContact O-N 3.19Å; G659-L662 VanDerWaalsContact O-N 3.14Å; G659-V663 PolarHBondContact O-N 3.31Å; G659-V663 VanDerWaalsContact O-N 3.09Å |
| 660 | I | 88.4 | Confident | 86.7 | Confident | 105 Ų | 105 | 61.7 Ų | 61.7 | 54% | 0.538 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | 174.9 | -59.5 | 170.9 | 0 | 0 | 0 | 110.5 | A656 F657 A658 L662 V663 T664 | A656-I660 PolarHBondContact O-N 2.64Å; F657-I660 HydrophobicContact CD1-CD1 4.5Å; F657-I660 WeakPolarHBondContact O-CB 3.46Å; F657-I660 PolarHBondContact O-N 2.97Å; F657-I660 VanDerWaalsContact O-N 3.16Å; A658-I660 VanDerWaalsContact C-N 3.32Å; A658-I660 PolarHBondContact O-N 2.83Å; I660-L662 PolarHBondContact O-N 3.41Å; I660-V663 PolarHBondContact O-N 3.13Å; I660-T664 PolarHBondContact O-N 3.36Å; I660-T664 VanDerWaalsContact O-N 3.08Å; I660-T664 PolarHBondContact O-OG1 2.93Å |
| 661 | S | 84.6 | Confident | 86.6 | Confident | 24 Ų | 24 | 63 Ų | 63 | 17% | 0.168 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.2 | -27.1 | 175.3 | 80.1 | 0 | 0 | 0 | 0 | 112.5 | G271 A658 G659 T664 S665 | G271-S661 WeakPolarHBondContact CA-OG 3.5Å; A658-S661 WeakPolarHBondContact O-CB 3.43Å; A658-S661 PolarHBondContact O-N 2.87Å; A658-S661 VanDerWaalsContact O-N 3.16Å; A658-S661 PolarHBondContact O-OG 2.86Å; G659-S661 VanDerWaalsContact C-N 3.34Å; G659-S661 PolarHBondContact O-N 3.3Å; S661-T664 VanDerWaalsContact C-OG1 3.32Å; S661-T664 WeakPolarHBondContact CA-OG1 3.37Å; S661-T664 PolarHBondContact O-OG1 3.3Å; S661-S665 WeakPolarHBondContact O-CB 3.44Å; S661-S665 PolarHBondContact O-N 3.44Å; S661-S665 VanDerWaalsContact O-N 3.1Å; S661-S665 PolarHBondContact O-OG 2.69Å |
| 662 | L | 84.5 | Confident | 86.4 | Confident | 30 Ų | 30 | 64.4 Ų | 64.4 | 16% | 0.157 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -76.6 | -41.3 | 177.8 | -167.9 | 136.7 | 0 | 0 | 0 | 111.8 | I272 I275 A658 G659 I660 S665 M666 V754 L758 | I272-L662 HydrophobicContact CD1-CD1 4.46Å; I275-L662 HydrophobicContact CD1-CB 4.42Å; I275-L662 HydrophobicContact CD1-CD1 3.47Å; I275-L662 VanDerWaalsContact CD1-CD1 3.47Å; A658-L662 PolarHBondContact O-N 3.08Å; A658-L662 VanDerWaalsContact O-N 3.17Å; G659-L662 WeakPolarHBondContact O-CB 3.32Å; G659-L662 PolarHBondContact O-N 3.19Å; G659-L662 VanDerWaalsContact O-N 3.14Å; I660-L662 PolarHBondContact O-N 3.41Å; L662-S665 WeakPolarHBondContact O-CB 3.25Å; L662-S665 PolarHBondContact O-N 3.25Å; L662-M666 PolarHBondContact O-N 3.09Å; L662-V754 HydrophobicContact CD1-CG1 4.22Å; L662-L758 HydrophobicContact CD1-CD2 4.11Å; L662-L758 HydrophobicContact CD2-CD1 3.5Å; L662-L758 VanDerWaalsContact CD2-CD1 3.5Å; L662-L758 HydrophobicContact CD2-CD2 3.26Å; L662-L758 HydrophobicContact CD2-CG 3.93Å; L662-L758 HydrophobicContact CG-CD2 3.35Å; L662-L758 HydrophobicContact CG-CG 4.48Å |
| 663 | V | 85.2 | Confident | 86.1 | Confident | 82 Ų | 82 | 57.1 Ų | 57.1 | 50% | 0.497 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 173.8 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | G659 I660 S665 M666 I667 | G659-V663 PolarHBondContact O-N 3.31Å; G659-V663 VanDerWaalsContact O-N 3.09Å; I660-V663 PolarHBondContact O-N 3.13Å; V663-S665 VanDerWaalsContact C-N 3.32Å; V663-S665 PolarHBondContact O-N 3.3Å; V663-M666 WeakPolarHBondContact O-CB 3.17Å; V663-M666 PolarHBondContact O-N 3.41Å; V663-M666 VanDerWaalsContact O-N 3.15Å; V663-I667 HydrophobicContact CG1-CD1 4.42Å; V663-I667 PolarHBondContact O-N 3.33Å; V663-I667 VanDerWaalsContact O-N 3.09Å |
| 664 | T | 85.3 | Confident | 85.9 | Confident | 78 Ų | 78 | 58.2 Ų | 58.2 | 48% | 0.479 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 176.5 | 51.5 | 0 | 0 | 0 | 0 | 111.8 | I660 S661 M666 I667 M668 | I660-T664 PolarHBondContact O-N 3.36Å; I660-T664 VanDerWaalsContact O-N 3.08Å; I660-T664 PolarHBondContact O-OG1 2.93Å; S661-T664 VanDerWaalsContact C-OG1 3.32Å; S661-T664 WeakPolarHBondContact CA-OG1 3.37Å; S661-T664 PolarHBondContact O-OG1 3.3Å; T664-M666 VanDerWaalsContact C-N 3.33Å; T664-M666 PolarHBondContact O-N 2.84Å; T664-I667 PolarHBondContact O-N 3.07Å; T664-M668 PolarHBondContact O-N 2.99Å |
| 665 | S | 84 | Confident | 85.6 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 6% | 0.063 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 172.4 | -59.6 | 0 | 0 | 0 | 0 | 112 | S661 L662 V663 M668 I669 | S661-S665 WeakPolarHBondContact O-CB 3.44Å; S661-S665 PolarHBondContact O-N 3.44Å; S661-S665 VanDerWaalsContact O-N 3.1Å; S661-S665 PolarHBondContact O-OG 2.69Å; L662-S665 WeakPolarHBondContact O-CB 3.25Å; L662-S665 PolarHBondContact O-N 3.25Å; V663-S665 VanDerWaalsContact C-N 3.32Å; V663-S665 PolarHBondContact O-N 3.3Å; S665-M668 PolarHBondContact O-N 3.33Å; S665-I669 WeakPolarHBondContact O-CD1 3.44Å; S665-I669 VanDerWaalsContact O-CG1 3.25Å; S665-I669 WeakPolarHBondContact O-CG1 3.42Å; S665-I669 PolarHBondContact O-N 3.06Å |
| 666 | M | 84.4 | Confident | 85.4 | Confident | 59 Ų | 59 | 54.9 Ų | 54.9 | 29% | 0.291 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 178 | -175.5 | -176.9 | 166.7 | 0 | 0 | 112.7 | L662 V663 T664 M668 I669 G670 L758 I761 | L662-M666 PolarHBondContact O-N 3.09Å; V663-M666 WeakPolarHBondContact O-CB 3.17Å; V663-M666 PolarHBondContact O-N 3.41Å; V663-M666 VanDerWaalsContact O-N 3.15Å; T664-M666 VanDerWaalsContact C-N 3.33Å; T664-M666 PolarHBondContact O-N 2.84Å; M666-M668 VanDerWaalsContact C-N 3.34Å; M666-I669 PolarHBondContact O-N 3.05Å; M666-G670 PolarHBondContact O-N 3.03Å; M666-L758 HydrophobicContact CB-CD1 4.15Å; M666-L758 HydrophobicContact CB-CD2 4.2Å; M666-L758 HydrophobicContact CB-CG 4.09Å; M666-L758 HydrophobicContact CG-CD1 4.15Å; M666-L758 HydrophobicContact CG-CG 4.26Å; M666-L758 HydrophobicContact SD-CD1 3.72Å; M666-L758 HydrophobicContact SD-CG 4.46Å; M666-I761 HydrophobicContact CE-CB 4.34Å; M666-I761 HydrophobicContact CE-CG2 3.58Å |
| 667 | I | 87.7 | Confident | 85.1 | Confident | 104 Ų | 104 | 52 Ų | 52 | 53% | 0.533 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 176.6 | -65.4 | 170.8 | 0 | 0 | 0 | 110.3 | V663 T664 I669 G670 I671 | V663-I667 HydrophobicContact CG1-CD1 4.42Å; V663-I667 PolarHBondContact O-N 3.33Å; V663-I667 VanDerWaalsContact O-N 3.09Å; T664-I667 PolarHBondContact O-N 3.07Å; I667-I669 VanDerWaalsContact C-N 3.33Å; I667-I669 PolarHBondContact O-N 3.27Å; I667-G670 WeakPolarHBondContact O-CA 3.41Å; I667-G670 PolarHBondContact O-N 3.23Å; I667-G670 VanDerWaalsContact O-N 3.1Å; I667-I671 HydrophobicContact CG2-CD1 4.05Å; I667-I671 WeakPolarHBondContact O-CG1 3.41Å; I667-I671 PolarHBondContact O-N 2.78Å |
| 668 | M | 84.8 | Confident | 84.9 | Confident | 85 Ų | 85 | 49.2 Ų | 49.2 | 42% | 0.419 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 178.2 | -170 | -178 | -69.3 | 0 | 0 | 111.8 | A267 T664 S665 M666 G670 I671 I672 | A267-M668 HydrophobicContact CB-SD 3.39Å; A267-M668 WeakPolarHBondContact CB-SD 3.35Å; T664-M668 PolarHBondContact O-N 2.99Å; S665-M668 PolarHBondContact O-N 3.33Å; M666-M668 VanDerWaalsContact C-N 3.34Å; M668-G670 VanDerWaalsContact C-N 3.32Å; M668-G670 PolarHBondContact O-N 2.84Å; M668-I671 PolarHBondContact O-N 2.97Å; M668-I672 HydrophobicContact CG-CD1 3.9Å; M668-I672 VanDerWaalsContact O-CG1 3.29Å; M668-I672 WeakPolarHBondContact O-CG1 3.44Å; M668-I672 PolarHBondContact O-N 3.22Å |
| 669 | I | 85.2 | Confident | 84.7 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 174.3 | -67.4 | 157.7 | 0 | 0 | 0 | 110.9 | S268 S665 M666 I667 I672 T673 T759 | S268-I669 WeakPolarHBondContact OG-CG1 3.46Å; S665-I669 WeakPolarHBondContact O-CD1 3.44Å; S665-I669 VanDerWaalsContact O-CG1 3.25Å; S665-I669 WeakPolarHBondContact O-CG1 3.42Å; S665-I669 PolarHBondContact O-N 3.06Å; M666-I669 PolarHBondContact O-N 3.05Å; I667-I669 VanDerWaalsContact C-N 3.33Å; I667-I669 PolarHBondContact O-N 3.27Å; I669-I672 PolarHBondContact O-N 3.23Å; I669-T673 VanDerWaalsContact O-CB 3.25Å; I669-T673 WeakPolarHBondContact O-CB 3.41Å; I669-T673 PolarHBondContact O-N 2.72Å; I669-T673 PolarHBondContact O-OG1 2.91Å; I669-T759 HydrophobicContact CD1-CG2 3.41Å; I669-T759 VanDerWaalsContact CD1-CG2 3.41Å |
| 670 | G | 86 | Confident | 84.5 | Confident | 15 Ų | 15 | 53.4 Ų | 53.4 | 16% | 0.155 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58 | -48.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | M666 I667 M668 T673 Y674 P766 | M666-G670 PolarHBondContact O-N 3.03Å; I667-G670 WeakPolarHBondContact O-CA 3.41Å; I667-G670 PolarHBondContact O-N 3.23Å; I667-G670 VanDerWaalsContact O-N 3.1Å; M668-G670 VanDerWaalsContact C-N 3.32Å; M668-G670 PolarHBondContact O-N 2.84Å; G670-T673 PolarHBondContact O-N 3.22Å; G670-Y674 VanDerWaalsContact O-CB 3.3Å; G670-Y674 WeakPolarHBondContact O-CB 3.48Å; G670-Y674 PolarHBondContact O-N 3.08Å; G670-P766 WeakPolarHBondContact O-CG 3.26Å |
| 671 | I | 86 | Confident | 84.4 | Confident | 104 Ų | 104 | 49.1 Ų | 49.1 | 53% | 0.533 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.2 | -47.5 | 178.4 | -65.2 | 169.7 | 0 | 0 | 0 | 110.9 | I667 M668 T673 Y674 T675 | I667-I671 HydrophobicContact CG2-CD1 4.05Å; I667-I671 WeakPolarHBondContact O-CG1 3.41Å; I667-I671 PolarHBondContact O-N 2.78Å; M668-I671 PolarHBondContact O-N 2.97Å; I671-T673 VanDerWaalsContact C-N 3.34Å; I671-T673 PolarHBondContact O-N 2.86Å; I671-Y674 WeakPolarHBondContact O-CB 3.46Å; I671-Y674 PolarHBondContact O-N 2.93Å; I671-T675 PolarHBondContact O-N 2.74Å; I671-T675 PolarHBondContact O-OG1 2.92Å |
| 672 | I | 83.2 | Confident | 84.5 | Confident | 43 Ų | 43 | 52.1 Ų | 52.1 | 22% | 0.221 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.3 | -42.7 | -179.7 | -68.2 | 169.4 | 0 | 0 | 0 | 111 | T264 M668 I669 Y674 T675 S676 | T264-I672 HydrophobicContact CG2-CB 4.42Å; T264-I672 HydrophobicContact CG2-CD1 3.86Å; T264-I672 HydrophobicContact CG2-CG2 3.79Å; M668-I672 HydrophobicContact CG-CD1 3.9Å; M668-I672 VanDerWaalsContact O-CG1 3.29Å; M668-I672 WeakPolarHBondContact O-CG1 3.44Å; M668-I672 PolarHBondContact O-N 3.22Å; I669-I672 PolarHBondContact O-N 3.23Å; I672-Y674 VanDerWaalsContact C-N 3.31Å; I672-Y674 PolarHBondContact O-N 2.88Å; I672-T675 PolarHBondContact O-N 3.36Å; I672-S676 WeakPolarHBondContact O-CB 3.46Å; I672-S676 PolarHBondContact O-N 3.46Å |
| 673 | T | 83.7 | Confident | 84.6 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.043 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 176.8 | -52.4 | 0 | 0 | 0 | 0 | 110.4 | I669 G670 I671 S676 V677 T705 P766 | I669-T673 VanDerWaalsContact O-CB 3.25Å; I669-T673 WeakPolarHBondContact O-CB 3.41Å; I669-T673 PolarHBondContact O-N 2.72Å; I669-T673 PolarHBondContact O-OG1 2.91Å; G670-T673 PolarHBondContact O-N 3.22Å; I671-T673 VanDerWaalsContact C-N 3.34Å; I671-T673 PolarHBondContact O-N 2.86Å; T673-S676 WeakPolarHBondContact O-CB 3.24Å; T673-S676 PolarHBondContact O-N 2.92Å; T673-V677 WeakPolarHBondContact O-CG2 3.38Å; T673-V677 PolarHBondContact O-N 3.36Å; T673-T705 HydrophobicContact CG2-CG2 4.03Å; T673-P766 HydrophobicContact CG2-CB 3.92Å; T673-P766 HydrophobicContact CG2-CG 4.42Å |
| 674 | Y | 87.2 | Confident | 84.8 | Confident | 104 Ų | 104 | 48.9 Ų | 48.9 | 41% | 0.408 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.6 | -46.5 | 175.4 | -178.9 | -100.7 | 0 | 0 | 0 | 112.7 | G670 I671 I672 S676 V677 I678 M769 | G670-Y674 VanDerWaalsContact O-CB 3.3Å; G670-Y674 WeakPolarHBondContact O-CB 3.48Å; G670-Y674 PolarHBondContact O-N 3.08Å; I671-Y674 WeakPolarHBondContact O-CB 3.46Å; I671-Y674 PolarHBondContact O-N 2.93Å; I672-Y674 VanDerWaalsContact C-N 3.31Å; I672-Y674 PolarHBondContact O-N 2.88Å; Y674-S676 VanDerWaalsContact C-N 3.27Å; Y674-S676 PolarHBondContact O-N 2.89Å; Y674-V677 WeakPolarHBondContact O-CB 3.46Å; Y674-V677 PolarHBondContact O-N 3.02Å; Y674-V677 VanDerWaalsContact O-N 3.08Å; Y674-I678 HydrophobicContact CD1-CD1 3.86Å; Y674-I678 HydrophobicContact CE1-CD1 3.23Å; Y674-I678 HydrophobicContact CE1-CG1 4.15Å; Y674-I678 PolarHBondContact O-N 2.65Å; Y674-M769 HydrophobicContact CE2-CE 3.93Å; Y674-M769 HydrophobicContact CE2-SD 4.45Å |
| 675 | T | 83.7 | Confident | 84.9 | Confident | 61 Ų | 61 | 45.1 Ų | 45.1 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.4 | -40.8 | 173.3 | -55.7 | 0 | 0 | 0 | 0 | 111 | I671 I672 V677 I678 E679 | I671-T675 PolarHBondContact O-N 2.74Å; I671-T675 PolarHBondContact O-OG1 2.92Å; I672-T675 PolarHBondContact O-N 3.36Å; T675-V677 VanDerWaalsContact C-N 3.3Å; T675-V677 PolarHBondContact O-N 3.16Å; T675-I678 PolarHBondContact O-N 2.81Å; T675-I678 VanDerWaalsContact O-N 3.16Å; T675-E679 HydrophobicContact CG2-CG 4.43Å; T675-E679 WeakPolarHBondContact O-CG 3.49Å; T675-E679 PolarHBondContact O-N 2.74Å |
| 676 | S | 81.3 | Confident | 85.2 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.4 | -38.3 | 174.4 | -162.5 | 0 | 0 | 0 | 0 | 112.3 | R260 I672 T673 Y674 R680 E704 | R260-S676 PolarHBondContact NH1-OG 3.14Å; R260-S676 PolarHBondContact NH2-OG 2.79Å; R260-S676 VanDerWaalsContact NH2-OG 3.13Å; I672-S676 WeakPolarHBondContact O-CB 3.46Å; I672-S676 PolarHBondContact O-N 3.46Å; T673-S676 WeakPolarHBondContact O-CB 3.24Å; T673-S676 PolarHBondContact O-N 2.92Å; Y674-S676 VanDerWaalsContact C-N 3.27Å; Y674-S676 PolarHBondContact O-N 2.89Å; S676-R680 WeakPolarHBondContact O-CB 3.16Å; S676-R680 WeakPolarHBondContact O-CD 3.48Å; S676-R680 WeakPolarHBondContact O-CG 3.37Å; S676-R680 PolarHBondContact O-N 2.92Å; S676-E704 PolarHBondContact OG-OE1 2.88Å |
| 677 | V | 83 | Confident | 85.4 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.7 | -39.7 | 175.1 | 166.9 | 0 | 0 | 0 | 0 | 111.7 | T673 Y674 T675 R680 T681 I684 F701 P766 A770 | T673-V677 WeakPolarHBondContact O-CG2 3.38Å; T673-V677 PolarHBondContact O-N 3.36Å; Y674-V677 WeakPolarHBondContact O-CB 3.46Å; Y674-V677 PolarHBondContact O-N 3.02Å; Y674-V677 VanDerWaalsContact O-N 3.08Å; T675-V677 VanDerWaalsContact C-N 3.3Å; T675-V677 PolarHBondContact O-N 3.16Å; V677-R680 PolarHBondContact O-N 3.17Å; V677-T681 PolarHBondContact O-N 3.15Å; V677-T681 PolarHBondContact O-OG1 2.94Å; V677-I684 HydrophobicContact CG1-CD1 4.34Å; V677-F701 HydrophobicContact CG2-CD1 3.95Å; V677-F701 HydrophobicContact CG2-CE1 3.74Å; V677-F701 HydrophobicContact CG2-CE2 4.46Å; V677-F701 HydrophobicContact CG2-CG 4.4Å; V677-F701 HydrophobicContact CG2-CZ 4.03Å; V677-P766 HydrophobicContact CG2-CB 4.45Å; V677-A770 HydrophobicContact CB-CB 4.17Å; V677-A770 HydrophobicContact CG1-CB 3.39Å; V677-A770 HydrophobicContact CG2-CB 3.66Å |
| 678 | I | 83.2 | Confident | 85.5 | Confident | 81 Ų | 81 | 38.6 Ų | 38.6 | 42% | 0.415 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -66.3 | -51.6 | 177.8 | -70.4 | 178.5 | 0 | 0 | 0 | 110.8 | Y674 T675 R680 T681 | Y674-I678 HydrophobicContact CD1-CD1 3.86Å; Y674-I678 HydrophobicContact CE1-CD1 3.23Å; Y674-I678 HydrophobicContact CE1-CG1 4.15Å; Y674-I678 PolarHBondContact O-N 2.65Å; T675-I678 PolarHBondContact O-N 2.81Å; T675-I678 VanDerWaalsContact O-N 3.16Å; I678-R680 PolarHBondContact O-N 3.36Å; I678-T681 WeakPolarHBondContact O-CB 3.5Å; I678-T681 PolarHBondContact O-N 2.84Å; I678-T681 VanDerWaalsContact O-N 3.09Å; I678-T681 PolarHBondContact O-OG1 2.67Å |
| 679 | E | 82.5 | Confident | 85.7 | Confident | 106 Ų | 106 | 34.8 Ų | 34.8 | 50% | 0.495 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -57.7 | -23 | 179.9 | -73 | 176.7 | -175.8 | 0 | 0 | 113.1 | K257 R260 T675 | K257-E679 IonicContact NZ-OE2 3.95Å; K257-E679 PolarHBondContact NZ-OE2 2.85Å; R260-E679 IonicContact NH1-OE2 3.85Å; R260-E679 PolarHBondContact NH1-OE2 2.72Å; T675-E679 HydrophobicContact CG2-CG 4.43Å; T675-E679 WeakPolarHBondContact O-CG 3.49Å; T675-E679 PolarHBondContact O-N 2.74Å |
| 680 | R | 81.2 | Confident | 85.9 | Confident | 16 Ų | 16 | 35.3 Ų | 35.3 | 6% | 0.06 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 17.6 | -175.7 | -60.6 | 178.5 | 69.9 | -171.9 | 0.6 | 113 | N253 S676 V677 I678 K682 E683 I684 E704 | N253-R680 PolarHBondContact ND2-NH1 2.76Å; N253-R680 PolarHBondContact ND2-NH2 3.37Å; S676-R680 WeakPolarHBondContact O-CB 3.16Å; S676-R680 WeakPolarHBondContact O-CD 3.48Å; S676-R680 WeakPolarHBondContact O-CG 3.37Å; S676-R680 PolarHBondContact O-N 2.92Å; V677-R680 PolarHBondContact O-N 3.17Å; I678-R680 PolarHBondContact O-N 3.36Å; R680-K682 VanDerWaalsContact C-N 3.29Å; R680-K682 PolarHBondContact O-N 2.93Å; R680-E683 HydrophobicContact CB-CB 4.42Å; R680-E683 IonicContact CZ-OE2 3.69Å; R680-E683 VanDerWaalsContact CZ-OE2 3.3Å; R680-E683 IonicContact NE-OE2 3.81Å; R680-E683 PolarHBondContact NE-OE2 2.7Å; R680-E683 IonicContact NH2-OE2 2.76Å; R680-E683 PolarHBondContact NH2-OE2 3.36Å; R680-E683 PolarHBondContact O-N 2.87Å; R680-E683 VanDerWaalsContact O-N 3.14Å; R680-I684 WeakPolarHBondContact O-CG1 3.4Å; R680-I684 PolarHBondContact O-N 2.94Å; R680-E704 IonicContact NH1-OE2 3.82Å; R680-E704 PolarHBondContact NH1-OE2 2.77Å; R680-E704 VanDerWaalsContact NH1-OE2 3.14Å |
| 681 | T | 86.7 | Confident | 86 | Confident | 14 Ų | 14 | 34.6 Ų | 34.6 | 9% | 0.086 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.8 | -47.1 | -178.6 | -60.8 | 0 | 0 | 0 | 0 | 111.1 | V677 I678 E683 I684 G685 K773 A778 A781 | V677-T681 PolarHBondContact O-N 3.15Å; V677-T681 PolarHBondContact O-OG1 2.94Å; I678-T681 WeakPolarHBondContact O-CB 3.5Å; I678-T681 PolarHBondContact O-N 2.84Å; I678-T681 VanDerWaalsContact O-N 3.09Å; I678-T681 PolarHBondContact O-OG1 2.67Å; T681-E683 PolarHBondContact O-N 2.91Å; T681-I684 WeakPolarHBondContact O-CB 3.48Å; T681-I684 PolarHBondContact O-N 3.41Å; T681-G685 PolarHBondContact O-N 2.92Å; T681-K773 HydrophobicContact CG2-CD 3.94Å; T681-K773 PolarHBondContact OG1-NZ 2.9Å; T681-A778 HydrophobicContact CG2-CB 3.79Å; T681-A778 WeakPolarHBondContact O-CB 3.24Å; T681-A781 HydrophobicContact CG2-CB 3.71Å |
| 682 | K | 85.1 | Confident | 86.1 | Confident | 87 Ų | 87 | 29.7 Ų | 29.7 | 38% | 0.378 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 177.9 | -166.3 | 168.5 | -175.5 | 167.4 | 0 | 113.3 | N93 R680 I684 G685 V686 A778 | N93-K682 WeakPolarHBondContact OD1-CE 3.23Å; R680-K682 VanDerWaalsContact C-N 3.29Å; R680-K682 PolarHBondContact O-N 2.93Å; K682-I684 PolarHBondContact O-N 2.98Å; K682-G685 WeakPolarHBondContact O-CA 3.41Å; K682-G685 PolarHBondContact O-N 3.16Å; K682-G685 VanDerWaalsContact O-N 3.16Å; K682-V686 WeakPolarHBondContact O-CG2 3.49Å; K682-V686 PolarHBondContact O-N 3.37Å; K682-A778 WeakPolarHBondContact CA-O 3.49Å |
| 683 | E | 87.5 | Confident | 86.4 | Confident | 41 Ų | 41 | 30 Ų | 30 | 19% | 0.192 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.2 | -40.5 | 176.3 | -62.8 | -177 | 177.9 | 0 | 0 | 112.1 | H97 R680 T681 G685 V686 L687 | H97-E683 IonicContact CE1-OE1 2.7Å; H97-E683 PolarHBondContact CE1-OE1 3.22Å; H97-E683 IonicContact CE1-OE2 2.72Å; H97-E683 IonicContact ND1-OE1 2.62Å; H97-E683 PolarHBondContact ND1-OE1 3.49Å; H97-E683 VanDerWaalsContact ND1-OE1 3.17Å; R680-E683 HydrophobicContact CB-CB 4.42Å; R680-E683 IonicContact CZ-OE2 3.69Å; R680-E683 VanDerWaalsContact CZ-OE2 3.3Å; R680-E683 IonicContact NE-OE2 3.81Å; R680-E683 PolarHBondContact NE-OE2 2.7Å; R680-E683 IonicContact NH2-OE2 2.76Å; R680-E683 PolarHBondContact NH2-OE2 3.36Å; R680-E683 PolarHBondContact O-N 2.87Å; R680-E683 VanDerWaalsContact O-N 3.14Å; T681-E683 PolarHBondContact O-N 2.91Å; E683-G685 VanDerWaalsContact C-N 3.27Å; E683-G685 PolarHBondContact O-N 2.89Å; E683-V686 PolarHBondContact O-N 3.05Å; E683-L687 WeakPolarHBondContact O-CG 3.47Å; E683-L687 PolarHBondContact O-N 3.41Å |
| 684 | I | 88.4 | Confident | 86.6 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 174.6 | -63.7 | 161.2 | 0 | 0 | 0 | 109.9 | V677 R680 T681 K682 L687 K688 I697 F701 A770 | V677-I684 HydrophobicContact CG1-CD1 4.34Å; R680-I684 WeakPolarHBondContact O-CG1 3.4Å; R680-I684 PolarHBondContact O-N 2.94Å; T681-I684 WeakPolarHBondContact O-CB 3.48Å; T681-I684 PolarHBondContact O-N 3.41Å; K682-I684 PolarHBondContact O-N 2.98Å; I684-L687 PolarHBondContact O-N 2.97Å; I684-K688 HydrophobicContact CG2-CD 4.35Å; I684-K688 HydrophobicContact CG2-CG 4.48Å; I684-K688 WeakPolarHBondContact O-CB 3.35Å; I684-K688 WeakPolarHBondContact O-CG 3.49Å; I684-K688 PolarHBondContact O-N 3.38Å; I684-I697 HydrophobicContact CG2-CD1 4.43Å; I684-I697 HydrophobicContact CG2-CG2 4.09Å; I684-F701 HydrophobicContact CD1-CE2 3.89Å; I684-F701 HydrophobicContact CD1-CZ 3.79Å; I684-F701 HydrophobicContact CG1-CE2 4Å; I684-F701 HydrophobicContact CG1-CZ 4.03Å; I684-A770 HydrophobicContact CD1-CB 4.02Å |
| 685 | G | 89.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.5 | -47.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T681 K682 E683 K688 A689 | T681-G685 PolarHBondContact O-N 2.92Å; K682-G685 WeakPolarHBondContact O-CA 3.41Å; K682-G685 PolarHBondContact O-N 3.16Å; K682-G685 VanDerWaalsContact O-N 3.16Å; E683-G685 VanDerWaalsContact C-N 3.27Å; E683-G685 PolarHBondContact O-N 2.89Å; G685-K688 PolarHBondContact O-N 3.46Å; G685-A689 WeakPolarHBondContact O-CB 3.46Å; G685-A689 PolarHBondContact O-N 3.08Å |
| 686 | V | 89.5 | Confident | 86.8 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.6 | -47.1 | 177.7 | 176.8 | 0 | 0 | 0 | 0 | 111.9 | N93 I95 K682 E683 K688 A689 L690 L779 | N93-V686 HydrophobicContact CB-CG2 3.71Å; N93-V686 VanDerWaalsContact O-CG2 3.31Å; N93-V686 WeakPolarHBondContact O-CG2 3.19Å; I95-V686 HydrophobicContact CG1-CG1 4.44Å; K682-V686 WeakPolarHBondContact O-CG2 3.49Å; K682-V686 PolarHBondContact O-N 3.37Å; E683-V686 PolarHBondContact O-N 3.05Å; V686-K688 VanDerWaalsContact C-N 3.33Å; V686-K688 PolarHBondContact O-N 3.21Å; V686-A689 PolarHBondContact O-N 3.13Å; V686-L690 HydrophobicContact CG1-CD1 4.06Å; V686-L690 WeakPolarHBondContact O-CG 3.48Å; V686-L690 PolarHBondContact O-N 3.36Å; V686-L779 HydrophobicContact CG2-CD2 3.78Å |
| 687 | L | 89.5 | Confident | 87.1 | Confident | 17 Ų | 17 | 32.2 Ų | 32.2 | 9% | 0.089 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.6 | -45 | 178.3 | -74.6 | 169.5 | 0 | 0 | 0 | 111.4 | L106 E683 I684 A689 L690 G691 A692 I697 | L106-L687 HydrophobicContact CD1-CD2 3.83Å; L106-L687 HydrophobicContact CD2-CD2 3.83Å; L106-L687 HydrophobicContact CG-CD2 3.99Å; E683-L687 WeakPolarHBondContact O-CG 3.47Å; E683-L687 PolarHBondContact O-N 3.41Å; I684-L687 PolarHBondContact O-N 2.97Å; L687-A689 VanDerWaalsContact C-N 3.33Å; L687-A689 PolarHBondContact O-N 3.35Å; L687-L690 PolarHBondContact O-N 3.03Å; L687-G691 PolarHBondContact O-N 3.47Å; L687-A692 HydrophobicContact CB-CB 3.99Å; L687-A692 WeakPolarHBondContact O-CB 3.43Å; L687-A692 PolarHBondContact O-N 3.15Å; L687-I697 HydrophobicContact CB-CD1 3.68Å; L687-I697 HydrophobicContact CD1-CD1 3.97Å; L687-I697 HydrophobicContact CG-CD1 4.48Å |
| 688 | K | 89.3 | Confident | 87.5 | Confident | 14 Ų | 14 | 32.9 Ų | 32.9 | 6% | 0.061 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.5 | -38.8 | 176.8 | -76.2 | -170.3 | 169.2 | -160 | 0 | 112.2 | R81 I684 G685 V686 L690 G691 I697 A771 K773 A775 | R81-K688 PolarHBondContact NE-O 3.2Å; R81-K688 PolarHBondContact NH2-O 3.4Å; R81-K688 VanDerWaalsContact NH2-O 3.14Å; I684-K688 HydrophobicContact CG2-CD 4.35Å; I684-K688 HydrophobicContact CG2-CG 4.48Å; I684-K688 WeakPolarHBondContact O-CB 3.35Å; I684-K688 WeakPolarHBondContact O-CG 3.49Å; I684-K688 PolarHBondContact O-N 3.38Å; G685-K688 PolarHBondContact O-N 3.46Å; V686-K688 VanDerWaalsContact C-N 3.33Å; V686-K688 PolarHBondContact O-N 3.21Å; K688-L690 VanDerWaalsContact C-N 3.27Å; K688-L690 PolarHBondContact O-N 3.33Å; K688-G691 WeakPolarHBondContact O-CA 3.34Å; K688-G691 PolarHBondContact O-N 2.93Å; K688-I697 HydrophobicContact CG-CD1 4.36Å; K688-I697 HydrophobicContact CG-CG1 4.19Å; K688-A771 WeakPolarHBondContact CE-O 3.5Å; K688-A771 PolarHBondContact NZ-O 3.34Å; K688-K773 PolarHBondContact NZ-O 2.76Å; K688-A775 HydrophobicContact CB-CB 3.72Å; K688-A775 HydrophobicContact CD-CB 4.21Å |
| 689 | A | 88.7 | Confident | 87.8 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.4 | -34.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | L54 F89 G685 V686 L687 G691 L779 | L54-A689 HydrophobicContact CD1-CB 4.49Å; L54-A689 HydrophobicContact CD2-CB 3.47Å; L54-A689 VanDerWaalsContact CD2-CB 3.47Å; F89-A689 HydrophobicContact CE2-CB 4.21Å; F89-A689 HydrophobicContact CZ-CB 3.65Å; G685-A689 WeakPolarHBondContact O-CB 3.46Å; G685-A689 PolarHBondContact O-N 3.08Å; V686-A689 PolarHBondContact O-N 3.13Å; L687-A689 VanDerWaalsContact C-N 3.33Å; L687-A689 PolarHBondContact O-N 3.35Å; A689-G691 PolarHBondContact O-N 3.27Å; A689-L779 HydrophobicContact CB-CD1 4.44Å |
| 690 | L | 89 | Confident | 88 | Confident | 17 Ų | 17 | 27.4 Ų | 27.4 | 9% | 0.089 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 5.5 | 172.3 | -61.8 | 170.4 | 0 | 0 | 0 | 113.3 | N82 L106 L110 R154 V686 L687 K688 | N82-L690 PolarHBondContact ND2-O 2.94Å; L106-L690 HydrophobicContact CB-CD1 3.97Å; L106-L690 HydrophobicContact CD2-CD1 3.55Å; L106-L690 HydrophobicContact CG-CD1 3.77Å; L110-L690 HydrophobicContact CD1-CB 3.73Å; R154-L690 HydrophobicContact CG-CD2 4.13Å; V686-L690 HydrophobicContact CG1-CD1 4.06Å; V686-L690 WeakPolarHBondContact O-CG 3.48Å; V686-L690 PolarHBondContact O-N 3.36Å; L687-L690 PolarHBondContact O-N 3.03Å; K688-L690 VanDerWaalsContact C-N 3.27Å; K688-L690 PolarHBondContact O-N 3.33Å |
| 691 | G | 88.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | 22.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | D78 L687 K688 A689 R693 | D78-G691 VanDerWaalsContact O-CA 3.26Å; D78-G691 WeakPolarHBondContact O-CA 3.33Å; L687-G691 PolarHBondContact O-N 3.47Å; K688-G691 WeakPolarHBondContact O-CA 3.34Å; K688-G691 PolarHBondContact O-N 2.93Å; A689-G691 PolarHBondContact O-N 3.27Å; G691-R693 PolarHBondContact O-N 3.29Å |
| 692 | A | 88.5 | Confident | 88.5 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | trans | -67.4 | 130.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L110 L687 I697 | L110-A692 HydrophobicContact CD1-CB 3.97Å; L110-A692 HydrophobicContact CD2-CB 3.67Å; L110-A692 HydrophobicContact CG-CB 4.46Å; L687-A692 HydrophobicContact CB-CB 3.99Å; L687-A692 WeakPolarHBondContact O-CB 3.43Å; L687-A692 PolarHBondContact O-N 3.15Å; A692-I697 HydrophobicContact CB-CD1 3.87Å; A692-I697 HydrophobicContact CB-CG1 4.42Å | ||
| 693 | R | 88.4 | Confident | 88.8 | Confident | 48 Ų | 48 | 23.1 Ų | 23.1 | 18% | 0.181 | 10% | 0.104 | C | C | . | . | trans | -76.3 | 158.6 | 179.4 | -52.6 | 173 | -66.5 | -168 | -5.5 | 111 | D78 T239 G691 K695 D696 I697 | D78-R693 HydrophobicContact CB-CG 3.72Å; D78-R693 VanDerWaalsContact OD2-CA 3.25Å; D78-R693 WeakPolarHBondContact OD2-CA 3.46Å; D78-R693 VanDerWaalsContact OD2-CB 3.29Å; D78-R693 WeakPolarHBondContact OD2-CB 3.41Å; D78-R693 WeakPolarHBondContact OD2-CG 3.37Å; T239-R693 PolarHBondContact O-NH1 2.76Å; T239-R693 PolarHBondContact O-NH2 3.45Å; T239-R693 WeakPolarHBondContact OG1-CD 3.45Å; T239-R693 WeakPolarHBondContact OG1-CG 3.45Å; G691-R693 PolarHBondContact O-N 3.29Å; R693-K695 PolarHBondContact O-N 3.1Å; R693-K695 VanDerWaalsContact O-N 3.12Å; R693-D696 WeakPolarHBondContact CB-OD2 3.3Å; R693-D696 WeakPolarHBondContact CG-OD2 3.44Å; R693-D696 IonicContact CZ-OD1 3.24Å; R693-D696 IonicContact CZ-OD2 2.81Å; R693-D696 PolarHBondContact N-OD2 2.94Å; R693-D696 IonicContact NE-OD1 3.47Å; R693-D696 PolarHBondContact NE-OD1 3.21Å; R693-D696 IonicContact NE-OD2 3.58Å; R693-D696 PolarHBondContact NE-OD2 3.45Å; R693-D696 IonicContact NH2-OD1 2.67Å; R693-D696 PolarHBondContact NH2-OD1 2.86Å; R693-D696 IonicContact NH2-OD2 3.91Å; R693-D696 PolarHBondContact NH2-OD2 2.79Å; R693-D696 WeakPolarHBondContact O-CA 3.26Å; R693-D696 WeakPolarHBondContact O-CB 3.21Å; R693-D696 PolarHBondContact O-N 3.04Å; R693-I697 PolarHBondContact O-N 3.39Å | ||
| 694 | K | 87.7 | Confident | 88.8 | Confident | 88 Ų | 88 | 21.5 Ų | 21.5 | 38% | 0.383 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -48.1 | -43.9 | 170.9 | -63 | -177.5 | 178.1 | 164.3 | 0 | 111.7 | D74 D696 I697 T698 A771 | D74-K694 IonicContact OD1-NZ 2.77Å; D74-K694 WeakPolarHBondContact OD2-CE 3.4Å; D74-K694 IonicContact OD2-NZ 2.7Å; D74-K694 PolarHBondContact OD2-NZ 2.82Å; K694-D696 PolarHBondContact O-N 3.25Å; K694-I697 PolarHBondContact O-N 3.02Å; K694-T698 PolarHBondContact O-N 2.81Å; K694-T698 PolarHBondContact O-OG1 2.93Å; K694-T698 VanDerWaalsContact O-OG1 3.14Å; K694-A771 HydrophobicContact CB-CB 4.3Å; K694-A771 WeakPolarHBondContact CG-O 3.39Å; K694-A771 WeakPolarHBondContact O-CB 3.3Å |
| 695 | K | 87.8 | Confident | 88.9 | Confident | 130 Ų | 130 | 21.5 Ų | 21.5 | 57% | 0.565 | 10% | 0.096 | S | C | * | . | H | α-helix | trans | -65.5 | -34 | 177.3 | -171.6 | 172.9 | -174.4 | 173 | 0 | 113.5 | R693 R699 | R693-K695 PolarHBondContact O-N 3.1Å; R693-K695 VanDerWaalsContact O-N 3.12Å; K695-R699 WeakPolarHBondContact O-CB 3.25Å; K695-R699 WeakPolarHBondContact O-CD 3.45Å; K695-R699 WeakPolarHBondContact O-CG 3.32Å; K695-R699 PolarHBondContact O-N 3.35Å |
| 696 | D | 87.8 | Confident | 89 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -72.4 | -39.8 | 178.8 | -58.4 | -38.5 | 0 | 0 | 0 | 110.3 | M241 R693 K694 R699 V700 | M241-D696 HydrophobicContact CB-CB 4.36Å; M241-D696 HydrophobicContact CE-CB 4.29Å; R693-D696 WeakPolarHBondContact CB-OD2 3.3Å; R693-D696 WeakPolarHBondContact CG-OD2 3.44Å; R693-D696 IonicContact CZ-OD1 3.24Å; R693-D696 IonicContact CZ-OD2 2.81Å; R693-D696 PolarHBondContact N-OD2 2.94Å; R693-D696 IonicContact NE-OD1 3.47Å; R693-D696 PolarHBondContact NE-OD1 3.21Å; R693-D696 IonicContact NE-OD2 3.58Å; R693-D696 PolarHBondContact NE-OD2 3.45Å; R693-D696 IonicContact NH2-OD1 2.67Å; R693-D696 PolarHBondContact NH2-OD1 2.86Å; R693-D696 IonicContact NH2-OD2 3.91Å; R693-D696 PolarHBondContact NH2-OD2 2.79Å; R693-D696 WeakPolarHBondContact O-CA 3.26Å; R693-D696 WeakPolarHBondContact O-CB 3.21Å; R693-D696 PolarHBondContact O-N 3.04Å; K694-D696 PolarHBondContact O-N 3.25Å; D696-R699 PolarHBondContact O-N 3.01Å; D696-R699 IonicContact OD1-NH1 2.7Å; D696-V700 WeakPolarHBondContact O-CG2 3.47Å; D696-V700 PolarHBondContact O-N 3.1Å |
| 697 | I | 88.8 | Confident | 89.1 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.015 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.8 | -50.3 | 172.5 | -58.5 | -58.4 | 0 | 0 | 0 | 110.7 | I684 L687 K688 A692 R693 K694 R699 V700 F701 A770 A771 | I684-I697 HydrophobicContact CG2-CD1 4.43Å; I684-I697 HydrophobicContact CG2-CG2 4.09Å; L687-I697 HydrophobicContact CB-CD1 3.68Å; L687-I697 HydrophobicContact CD1-CD1 3.97Å; L687-I697 HydrophobicContact CG-CD1 4.48Å; K688-I697 HydrophobicContact CG-CD1 4.36Å; K688-I697 HydrophobicContact CG-CG1 4.19Å; A692-I697 HydrophobicContact CB-CD1 3.87Å; A692-I697 HydrophobicContact CB-CG1 4.42Å; R693-I697 PolarHBondContact O-N 3.39Å; K694-I697 PolarHBondContact O-N 3.02Å; I697-R699 VanDerWaalsContact C-N 3.29Å; I697-R699 PolarHBondContact O-N 2.88Å; I697-V700 PolarHBondContact O-N 3.29Å; I697-F701 HydrophobicContact CG2-CD2 4.05Å; I697-F701 HydrophobicContact CG2-CE2 3.83Å; I697-F701 VanDerWaalsContact O-CD2 3.29Å; I697-F701 WeakPolarHBondContact O-CD2 3.29Å; I697-F701 PolarHBondContact O-N 3.36Å; I697-A770 HydrophobicContact CG2-CB 4.44Å; I697-A771 HydrophobicContact CB-CB 4.15Å; I697-A771 HydrophobicContact CG2-CB 4.18Å |
| 698 | T | 89.8 | Confident | 89.1 | Confident | 17 Ų | 17 | 24.3 Ų | 24.3 | 10% | 0.104 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.7 | -42.5 | 177.1 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | K694 V700 F701 D702 A767 R768 A771 | K694-T698 PolarHBondContact O-N 2.81Å; K694-T698 PolarHBondContact O-OG1 2.93Å; K694-T698 VanDerWaalsContact O-OG1 3.14Å; T698-V700 VanDerWaalsContact C-N 3.34Å; T698-V700 PolarHBondContact O-N 2.91Å; T698-F701 PolarHBondContact O-N 3.49Å; T698-D702 WeakPolarHBondContact CG2-OD2 3.49Å; T698-D702 WeakPolarHBondContact O-CB 3.24Å; T698-D702 VanDerWaalsContact O-CG 3.27Å; T698-D702 PolarHBondContact O-N 3.28Å; T698-A767 HydrophobicContact CG2-CB 4.03Å; T698-R768 HydrophobicContact CG2-CG 4.17Å; T698-A771 WeakPolarHBondContact OG1-CB 3.37Å |
| 699 | R | 89.6 | Confident | 89.2 | Confident | 65 Ų | 65 | 23.6 Ų | 23.6 | 25% | 0.245 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.5 | -35.3 | 178.4 | -79.9 | 169.4 | 170.9 | -178.1 | -8.3 | 114 | M241 A246 K695 D696 I697 A703 | M241-R699 PolarHBondContact O-NH1 3.08Å; A246-R699 HydrophobicContact CB-CB 4.12Å; K695-R699 WeakPolarHBondContact O-CB 3.25Å; K695-R699 WeakPolarHBondContact O-CD 3.45Å; K695-R699 WeakPolarHBondContact O-CG 3.32Å; K695-R699 PolarHBondContact O-N 3.35Å; D696-R699 PolarHBondContact O-N 3.01Å; D696-R699 IonicContact OD1-NH1 2.7Å; I697-R699 VanDerWaalsContact C-N 3.29Å; I697-R699 PolarHBondContact O-N 2.88Å; R699-A703 WeakPolarHBondContact O-CB 3.3Å; R699-A703 PolarHBondContact O-N 2.86Å |
| 700 | V | 88 | Confident | 89.4 | Confident | 6 Ų | 6 | 26.5 Ų | 26.5 | 4% | 0.036 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.8 | -47.6 | 175.8 | 171.2 | 0 | 0 | 0 | 0 | 109.5 | M241 A246 L249 S250 D696 I697 T698 A703 E704 | M241-V700 HydrophobicContact SD-CG2 4.36Å; A246-V700 HydrophobicContact CB-CG2 4.19Å; L249-V700 HydrophobicContact CD1-CG2 4.37Å; S250-V700 WeakPolarHBondContact OG-CG1 3.39Å; S250-V700 PolarHBondContact OG-O 3.41Å; D696-V700 WeakPolarHBondContact O-CG2 3.47Å; D696-V700 PolarHBondContact O-N 3.1Å; I697-V700 PolarHBondContact O-N 3.29Å; T698-V700 VanDerWaalsContact C-N 3.34Å; T698-V700 PolarHBondContact O-N 2.91Å; V700-A703 PolarHBondContact O-N 3.43Å; V700-E704 PolarHBondContact O-N 3.09Å |
| 701 | F | 88.6 | Confident | 89.5 | Confident | 5 Ų | 5 | 27.7 Ų | 27.7 | 2% | 0.022 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.3 | -39.9 | 177.3 | -70.9 | -73.3 | 0 | 0 | 0 | 112.8 | V677 I684 I697 T698 A703 E704 T705 A767 A770 | V677-F701 HydrophobicContact CG2-CD1 3.95Å; V677-F701 HydrophobicContact CG2-CE1 3.74Å; V677-F701 HydrophobicContact CG2-CE2 4.46Å; V677-F701 HydrophobicContact CG2-CG 4.4Å; V677-F701 HydrophobicContact CG2-CZ 4.03Å; I684-F701 HydrophobicContact CD1-CE2 3.89Å; I684-F701 HydrophobicContact CD1-CZ 3.79Å; I684-F701 HydrophobicContact CG1-CE2 4Å; I684-F701 HydrophobicContact CG1-CZ 4.03Å; I697-F701 HydrophobicContact CG2-CD2 4.05Å; I697-F701 HydrophobicContact CG2-CE2 3.83Å; I697-F701 VanDerWaalsContact O-CD2 3.29Å; I697-F701 WeakPolarHBondContact O-CD2 3.29Å; I697-F701 PolarHBondContact O-N 3.36Å; T698-F701 PolarHBondContact O-N 3.49Å; F701-A703 VanDerWaalsContact C-N 3.28Å; F701-A703 PolarHBondContact O-N 3.28Å; F701-E704 WeakPolarHBondContact O-CB 3.33Å; F701-E704 PolarHBondContact O-N 3.4Å; F701-E704 VanDerWaalsContact O-N 3.13Å; F701-T705 WeakPolarHBondContact O-CG2 3.45Å; F701-T705 PolarHBondContact O-N 3.15Å; F701-T705 PolarHBondContact O-OG1 2.81Å; F701-A767 HydrophobicContact CB-CB 3.51Å; F701-A767 HydrophobicContact CG-CB 4.46Å; F701-A770 HydrophobicContact CD2-CB 3.86Å; F701-A770 HydrophobicContact CE2-CB 3.65Å; F701-A770 HydrophobicContact CZ-CB 4.3Å |
| 702 | D | 89.6 | Confident | 89.6 | Confident | 22 Ų | 22 | 27.7 Ų | 27.7 | 12% | 0.118 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63 | -35.3 | 174 | -69.9 | -20.9 | 0 | 0 | 0 | 111.9 | T698 T705 C706 H764 | T698-D702 WeakPolarHBondContact CG2-OD2 3.49Å; T698-D702 WeakPolarHBondContact O-CB 3.24Å; T698-D702 VanDerWaalsContact O-CG 3.27Å; T698-D702 PolarHBondContact O-N 3.28Å; D702-T705 WeakPolarHBondContact CA-OG1 3.14Å; D702-T705 PolarHBondContact O-OG1 2.83Å; D702-C706 VanDerWaalsContact O-CB 3.24Å; D702-C706 WeakPolarHBondContact O-CB 3.4Å; D702-C706 PolarHBondContact O-N 2.67Å; D702-H764 IonicContact OD1-CE1 2.67Å; D702-H764 IonicContact OD1-CG 2.74Å; D702-H764 IonicContact OD1-ND1 3.86Å; D702-H764 PolarHBondContact OD1-ND1 3.26Å; D702-H764 IonicContact OD2-CE1 2.89Å; D702-H764 PolarHBondContact OD2-CE1 3.39Å; D702-H764 IonicContact OD2-ND1 2.78Å; D702-H764 PolarHBondContact OD2-ND1 2.84Å |
| 703 | A | 90.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.7 | -34.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F243 A246 L247 R699 V700 F701 I707 | F243-A703 HydrophobicContact CE2-CB 4.07Å; F243-A703 HydrophobicContact CZ-CB 4.13Å; A246-A703 HydrophobicContact CB-CB 4.13Å; L247-A703 HydrophobicContact CD2-CB 3.83Å; L247-A703 HydrophobicContact CG-CB 4.07Å; R699-A703 WeakPolarHBondContact O-CB 3.3Å; R699-A703 PolarHBondContact O-N 2.86Å; V700-A703 PolarHBondContact O-N 3.43Å; F701-A703 VanDerWaalsContact C-N 3.28Å; F701-A703 PolarHBondContact O-N 3.28Å; A703-I707 WeakPolarHBondContact O-CD1 3.37Å; A703-I707 VanDerWaalsContact O-CG1 3.27Å; A703-I707 WeakPolarHBondContact O-CG1 3.39Å; A703-I707 PolarHBondContact O-N 3.31Å |
| 704 | E | 88.9 | Confident | 90.1 | Very high | 8 Ų | 8 | 28.7 Ų | 28.7 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63 | -46.5 | 173.3 | -169.8 | 174.7 | 157.2 | 0 | 0 | 110.8 | L254 R260 S676 R680 V700 F701 C706 I707 L708 | L254-E704 HydrophobicContact CD1-CG 4.06Å; L254-E704 HydrophobicContact CD2-CG 3.64Å; L254-E704 HydrophobicContact CG-CG 3.85Å; R260-E704 IonicContact NH2-OE1 3.31Å; S676-E704 PolarHBondContact OG-OE1 2.88Å; R680-E704 IonicContact NH1-OE2 3.82Å; R680-E704 PolarHBondContact NH1-OE2 2.77Å; R680-E704 VanDerWaalsContact NH1-OE2 3.14Å; V700-E704 PolarHBondContact O-N 3.09Å; F701-E704 WeakPolarHBondContact O-CB 3.33Å; F701-E704 PolarHBondContact O-N 3.4Å; F701-E704 VanDerWaalsContact O-N 3.13Å; E704-C706 VanDerWaalsContact C-N 3.35Å; E704-C706 PolarHBondContact O-N 3.14Å; E704-I707 PolarHBondContact O-N 3.24Å; E704-L708 HydrophobicContact CG-CD1 4.45Å; E704-L708 WeakPolarHBondContact O-CB 3.27Å; E704-L708 WeakPolarHBondContact O-CG 3.49Å; E704-L708 PolarHBondContact O-N 3.44Å |
| 705 | T | 89.8 | Confident | 90.4 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.012 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.7 | -32.1 | 179.9 | 59.9 | 0 | 0 | 0 | 0 | 112.5 | T673 F701 D702 G709 T759 | T673-T705 HydrophobicContact CG2-CG2 4.03Å; F701-T705 WeakPolarHBondContact O-CG2 3.45Å; F701-T705 PolarHBondContact O-N 3.15Å; F701-T705 PolarHBondContact O-OG1 2.81Å; D702-T705 WeakPolarHBondContact CA-OG1 3.14Å; D702-T705 PolarHBondContact O-OG1 2.83Å; T705-G709 PolarHBondContact O-N 2.85Å; T705-T759 PolarHBondContact O-OG1 3.42Å |
| 706 | C | 92 | Very high | 90.6 | Very high | 25 Ų | 25 | 20.4 Ų | 20.4 | 17% | 0.169 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.4 | -51 | 170.6 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | D702 E704 L708 G709 V710 M760 | D702-C706 VanDerWaalsContact O-CB 3.24Å; D702-C706 WeakPolarHBondContact O-CB 3.4Å; D702-C706 PolarHBondContact O-N 2.67Å; E704-C706 VanDerWaalsContact C-N 3.35Å; E704-C706 PolarHBondContact O-N 3.14Å; C706-L708 VanDerWaalsContact C-N 3.32Å; C706-L708 PolarHBondContact O-N 3.04Å; C706-G709 PolarHBondContact O-N 2.86Å; C706-G709 VanDerWaalsContact O-N 3.15Å; C706-V710 WeakPolarHBondContact O-CG2 3.43Å; C706-V710 PolarHBondContact O-N 2.92Å; C706-M760 HydrophobicContact CB-CG 4.12Å; C706-M760 HydrophobicContact CB-SD 3.93Å |
| 707 | I | 90.9 | Very high | 91 | Very high | 40 Ų | 40 | 21.4 Ų | 21.4 | 21% | 0.205 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61 | -43.4 | 177.6 | -65.7 | 162.7 | 0 | 0 | 0 | 110.7 | L247 F251 L254 A703 E704 G709 V710 A711 | L247-I707 HydrophobicContact CD2-CD1 3.98Å; L247-I707 HydrophobicContact CD2-CG1 3.86Å; F251-I707 HydrophobicContact CB-CD1 4.02Å; L254-I707 HydrophobicContact CD1-CB 3.71Å; L254-I707 HydrophobicContact CD1-CD1 4.15Å; L254-I707 HydrophobicContact CD1-CG2 3.49Å; L254-I707 VanDerWaalsContact CD1-CG2 3.49Å; A703-I707 WeakPolarHBondContact O-CD1 3.37Å; A703-I707 VanDerWaalsContact O-CG1 3.27Å; A703-I707 WeakPolarHBondContact O-CG1 3.39Å; A703-I707 PolarHBondContact O-N 3.31Å; E704-I707 PolarHBondContact O-N 3.24Å; I707-G709 VanDerWaalsContact C-N 3.31Å; I707-G709 PolarHBondContact O-N 3.09Å; I707-V710 PolarHBondContact O-N 2.81Å; I707-A711 WeakPolarHBondContact O-CB 3.31Å; I707-A711 PolarHBondContact O-N 3.19Å |
| 708 | L | 89.4 | Confident | 91.3 | Very high | 14 Ų | 14 | 25.7 Ų | 25.7 | 7% | 0.073 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 175.6 | -74.9 | 172.4 | 0 | 0 | 0 | 111.9 | L254 T261 T264 E704 C706 A711 S712 | L254-L708 HydrophobicContact CD1-CG 4.43Å; L254-L708 HydrophobicContact CD2-CD1 4.4Å; L254-L708 HydrophobicContact CD2-CD2 4.02Å; L254-L708 HydrophobicContact CD2-CG 4.14Å; T261-L708 HydrophobicContact CG2-CD2 3.86Å; T264-L708 HydrophobicContact CG2-CD1 4.23Å; T264-L708 HydrophobicContact CG2-CD2 4.38Å; E704-L708 HydrophobicContact CG-CD1 4.45Å; E704-L708 WeakPolarHBondContact O-CB 3.27Å; E704-L708 WeakPolarHBondContact O-CG 3.49Å; E704-L708 PolarHBondContact O-N 3.44Å; C706-L708 VanDerWaalsContact C-N 3.32Å; C706-L708 PolarHBondContact O-N 3.04Å; L708-A711 PolarHBondContact O-N 3.33Å; L708-S712 WeakPolarHBondContact O-CB 3.17Å; L708-S712 PolarHBondContact O-N 3.39Å; L708-S712 PolarHBondContact O-OG 2.77Å; L708-S712 VanDerWaalsContact O-OG 3.05Å |
| 709 | G | 90.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.9 | -38.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | T705 C706 I707 S712 G713 S755 T759 | T705-G709 PolarHBondContact O-N 2.85Å; C706-G709 PolarHBondContact O-N 2.86Å; C706-G709 VanDerWaalsContact O-N 3.15Å; I707-G709 VanDerWaalsContact C-N 3.31Å; I707-G709 PolarHBondContact O-N 3.09Å; G709-S712 WeakPolarHBondContact CA-OG 3.41Å; G709-S712 PolarHBondContact O-OG 3.4Å; G709-S712 VanDerWaalsContact O-OG 3.07Å; G709-G713 PolarHBondContact O-N 3.39Å; G709-S755 PolarHBondContact O-OG 3.08Å; G709-T759 WeakPolarHBondContact CA-OG1 3.36Å |
| 710 | V | 93.4 | Very high | 91.7 | Very high | 66 Ų | 66 | 24.2 Ų | 24.2 | 40% | 0.4 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -66.9 | -44 | 172.4 | 174.5 | 0 | 0 | 0 | 0 | 110.2 | C706 I707 T714 T756 | C706-V710 WeakPolarHBondContact O-CG2 3.43Å; C706-V710 PolarHBondContact O-N 2.92Å; I707-V710 PolarHBondContact O-N 2.81Å; V710-T714 VanDerWaalsContact O-CB 3.3Å; V710-T714 WeakPolarHBondContact O-CB 3.29Å; V710-T714 PolarHBondContact O-N 3.44Å; V710-T714 PolarHBondContact O-OG1 3.13Å; V710-T756 HydrophobicContact CG2-CG2 4.05Å; V710-T756 WeakPolarHBondContact CG2-OG1 3.17Å; V710-T756 PolarHBondContact N-OG1 3.02Å |
| 711 | A | 91.6 | Very high | 92.1 | Very high | 42 Ų | 42 | 29.4 Ų | 29.4 | 35% | 0.347 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.5 | -46.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A265 I707 L708 L715 | A265-A711 HydrophobicContact CB-CB 4.48Å; I707-A711 WeakPolarHBondContact O-CB 3.31Å; I707-A711 PolarHBondContact O-N 3.19Å; L708-A711 PolarHBondContact O-N 3.33Å; A711-L715 WeakPolarHBondContact O-CB 3.36Å; A711-L715 PolarHBondContact O-N 3.15Å |
| 712 | S | 90.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.1 | -40.9 | 177.4 | 61.3 | 0 | 0 | 0 | 0 | 112.1 | A265 S269 L708 G709 G716 S755 | A265-S712 VanDerWaalsContact O-CB 3.29Å; A265-S712 WeakPolarHBondContact O-CB 3.41Å; S269-S712 WeakPolarHBondContact CB-O 3.28Å; L708-S712 WeakPolarHBondContact O-CB 3.17Å; L708-S712 PolarHBondContact O-N 3.39Å; L708-S712 PolarHBondContact O-OG 2.77Å; L708-S712 VanDerWaalsContact O-OG 3.05Å; G709-S712 WeakPolarHBondContact CA-OG 3.41Å; G709-S712 PolarHBondContact O-OG 3.4Å; G709-S712 VanDerWaalsContact O-OG 3.07Å; S712-G716 PolarHBondContact O-N 3.08Å; S712-S755 PolarHBondContact OG-OG 2.85Å |
| 713 | G | 92.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.5 | -47.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | G709 G716 V717 S755 | G709-G713 PolarHBondContact O-N 3.39Å; G713-G716 PolarHBondContact O-N 3.18Å; G713-V717 WeakPolarHBondContact O-CB 3.27Å; G713-V717 VanDerWaalsContact O-CG2 3.32Å; G713-V717 WeakPolarHBondContact O-CG2 3.27Å; G713-V717 PolarHBondContact O-N 2.83Å; G713-S755 PolarHBondContact N-OG 2.88Å |
| 714 | T | 94.5 | Very high | 92.8 | Very high | 70 Ų | 70 | 34 Ų | 34 | 43% | 0.429 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.3 | -45.5 | 178.6 | -54 | 0 | 0 | 0 | 0 | 111.1 | V710 L718 | V710-T714 VanDerWaalsContact O-CB 3.3Å; V710-T714 WeakPolarHBondContact O-CB 3.29Å; V710-T714 PolarHBondContact O-N 3.44Å; V710-T714 PolarHBondContact O-OG1 3.13Å; T714-L718 WeakPolarHBondContact O-CB 3.19Å; T714-L718 PolarHBondContact O-N 3.25Å |
| 715 | L | 94 | Very high | 93 | Very high | 43 Ų | 43 | 39.1 Ų | 39.1 | 23% | 0.225 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.5 | -43.5 | 177 | -177.4 | 63.8 | 0 | 0 | 0 | 111.4 | F266 A711 L718 I719 | F266-L715 HydrophobicContact CB-CD2 4.49Å; F266-L715 HydrophobicContact CD2-CD2 4.31Å; A711-L715 WeakPolarHBondContact O-CB 3.36Å; A711-L715 PolarHBondContact O-N 3.15Å; L715-L718 PolarHBondContact O-N 2.95Å; L715-I719 HydrophobicContact CD1-CD1 3.93Å; L715-I719 HydrophobicContact CD1-CG1 4.35Å; L715-I719 HydrophobicContact CG-CD1 3.83Å; L715-I719 WeakPolarHBondContact O-CB 3.33Å; L715-I719 VanDerWaalsContact O-CG1 3.28Å; L715-I719 WeakPolarHBondContact O-CG1 3.48Å; L715-I719 PolarHBondContact O-N 2.97Å |
| 716 | G | 93.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.7 | -43 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S712 G713 I719 A720 | S712-G716 PolarHBondContact O-N 3.08Å; G713-G716 PolarHBondContact O-N 3.18Å; G716-I719 PolarHBondContact O-N 3.41Å; G716-A720 VanDerWaalsContact O-CB 3.28Å; G716-A720 WeakPolarHBondContact O-CB 3.47Å; G716-A720 PolarHBondContact O-N 2.92Å |
| 717 | V | 94.9 | Very high | 93.4 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 13% | 0.133 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.1 | -41.9 | 174.4 | 168.6 | 0 | 0 | 0 | 0 | 111.3 | I272 G713 A720 Y721 L743 G748 L751 I752 | I272-V717 HydrophobicContact CG2-CG2 4.34Å; G713-V717 WeakPolarHBondContact O-CB 3.27Å; G713-V717 VanDerWaalsContact O-CG2 3.32Å; G713-V717 WeakPolarHBondContact O-CG2 3.27Å; G713-V717 PolarHBondContact O-N 2.83Å; V717-A720 PolarHBondContact O-N 2.89Å; V717-Y721 WeakPolarHBondContact O-CB 3.37Å; V717-Y721 PolarHBondContact O-N 3.3Å; V717-L743 HydrophobicContact CG1-CD2 4.03Å; V717-G748 WeakPolarHBondContact CG2-O 3.32Å; V717-L751 HydrophobicContact CG2-CB 3.9Å; V717-L751 HydrophobicContact CG2-CD1 4.3Å; V717-I752 HydrophobicContact CG2-CG1 4.03Å |
| 718 | L | 95.2 | Very high | 93.5 | Very high | 93 Ų | 93 | 42.2 Ų | 42.2 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.4 | -46.3 | 176.4 | -178.4 | 68.3 | 0 | 0 | 0 | 111.5 | T714 L715 Y721 L722 | T714-L718 WeakPolarHBondContact O-CB 3.19Å; T714-L718 PolarHBondContact O-N 3.25Å; L715-L718 PolarHBondContact O-N 2.95Å; L718-Y721 PolarHBondContact O-N 2.99Å; L718-L722 HydrophobicContact CG-CD1 4.3Å; L718-L722 WeakPolarHBondContact O-CG 3.48Å; L718-L722 PolarHBondContact O-N 3.39Å |
| 719 | I | 94.9 | Very high | 93.7 | Very high | 50 Ų | 50 | 44.1 Ų | 44.1 | 26% | 0.256 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66 | -42.5 | 178.1 | -68.2 | 167.7 | 0 | 0 | 0 | 110.7 | F266 I273 L715 G716 Y721 L722 A723 | F266-I719 HydrophobicContact CE2-CD1 4.28Å; I273-I719 HydrophobicContact CD1-CB 3.98Å; I273-I719 HydrophobicContact CD1-CD1 3.9Å; I273-I719 HydrophobicContact CD1-CG2 3.69Å; I273-I719 HydrophobicContact CG1-CB 3.97Å; I273-I719 HydrophobicContact CG1-CG2 3.91Å; I273-I719 HydrophobicContact CG2-CG2 4.2Å; L715-I719 HydrophobicContact CD1-CD1 3.93Å; L715-I719 HydrophobicContact CD1-CG1 4.35Å; L715-I719 HydrophobicContact CG-CD1 3.83Å; L715-I719 WeakPolarHBondContact O-CB 3.33Å; L715-I719 VanDerWaalsContact O-CG1 3.28Å; L715-I719 WeakPolarHBondContact O-CG1 3.48Å; L715-I719 PolarHBondContact O-N 2.97Å; G716-I719 PolarHBondContact O-N 3.41Å; I719-Y721 VanDerWaalsContact C-N 3.32Å; I719-Y721 PolarHBondContact O-N 2.81Å; I719-L722 PolarHBondContact O-N 2.5Å; I719-A723 WeakPolarHBondContact O-CB 3.46Å; I719-A723 PolarHBondContact O-N 2.84Å |
| 720 | A | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I277 G716 V717 A723 T724 L743 | I277-A720 HydrophobicContact CG1-CB 4.4Å; G716-A720 VanDerWaalsContact O-CB 3.28Å; G716-A720 WeakPolarHBondContact O-CB 3.47Å; G716-A720 PolarHBondContact O-N 2.92Å; V717-A720 PolarHBondContact O-N 2.89Å; A720-A723 WeakPolarHBondContact O-CB 3.39Å; A720-A723 PolarHBondContact O-N 3.42Å; A720-T724 WeakPolarHBondContact O-CG2 3.38Å; A720-T724 PolarHBondContact O-N 2.93Å; A720-L743 HydrophobicContact CB-CD2 4.38Å |
| 721 | Y | 94.9 | Very high | 93.6 | Very high | 115 Ų | 115 | 47.2 Ų | 47.2 | 45% | 0.451 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.4 | -48.1 | 174 | 177 | -103.3 | 0 | 0 | 0 | 111.7 | V717 L718 I719 A723 T724 F725 | V717-Y721 WeakPolarHBondContact O-CB 3.37Å; V717-Y721 PolarHBondContact O-N 3.3Å; L718-Y721 PolarHBondContact O-N 2.99Å; I719-Y721 VanDerWaalsContact C-N 3.32Å; I719-Y721 PolarHBondContact O-N 2.81Å; Y721-A723 VanDerWaalsContact C-N 3.26Å; Y721-A723 PolarHBondContact O-N 3.33Å; Y721-T724 WeakPolarHBondContact O-CB 3.44Å; Y721-T724 PolarHBondContact O-N 2.85Å; Y721-T724 PolarHBondContact O-OG1 3.43Å; Y721-F725 HydrophobicContact CD1-CE2 4.4Å; Y721-F725 AromaticContact CE1-CE2 3.89Å; Y721-F725 HydrophobicContact CE1-CE2 3.89Å; Y721-F725 HydrophobicContact CE1-CZ 4.1Å |
| 722 | L | 95.6 | Very high | 93.6 | Very high | 95 Ų | 95 | 50.6 Ų | 50.6 | 50% | 0.497 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.9 | -31.8 | 177.3 | -70.7 | 174.1 | 0 | 0 | 0 | 112.7 | L718 I719 T724 F725 P726 | L718-L722 HydrophobicContact CG-CD1 4.3Å; L718-L722 WeakPolarHBondContact O-CG 3.48Å; L718-L722 PolarHBondContact O-N 3.39Å; I719-L722 PolarHBondContact O-N 2.5Å; L722-T724 PolarHBondContact O-N 3.25Å; L722-F725 HydrophobicContact CD2-CE2 4.28Å; L722-F725 WeakPolarHBondContact O-CD2 3.14Å; L722-F725 PolarHBondContact O-N 3.3Å; L722-P726 WeakPolarHBondContact O-CD 3.33Å |
| 723 | A | 94.4 | Very high | 93.7 | Very high | 22 Ų | 22 | 57 Ų | 57 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.7 | -22 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I277 I719 A720 Y721 F725 P726 I727 | I277-A723 HydrophobicContact CD1-CB 4.08Å; I277-A723 HydrophobicContact CG1-CB 4.31Å; I719-A723 WeakPolarHBondContact O-CB 3.46Å; I719-A723 PolarHBondContact O-N 2.84Å; A720-A723 WeakPolarHBondContact O-CB 3.39Å; A720-A723 PolarHBondContact O-N 3.42Å; Y721-A723 VanDerWaalsContact C-N 3.26Å; Y721-A723 PolarHBondContact O-N 3.33Å; A723-F725 VanDerWaalsContact C-N 3.25Å; A723-F725 PolarHBondContact O-N 2.92Å; A723-P726 WeakPolarHBondContact O-CD 3.48Å; A723-P726 VanDerWaalsContact O-CG 3.31Å; A723-P726 WeakPolarHBondContact O-CG 3.33Å; A723-I727 HydrophobicContact CB-CD1 4.2Å; A723-I727 WeakPolarHBondContact O-CB 3.41Å; A723-I727 VanDerWaalsContact O-CD1 3.29Å; A723-I727 WeakPolarHBondContact O-CD1 3.41Å; A723-I727 WeakPolarHBondContact O-CG1 3.43Å; A723-I727 PolarHBondContact O-N 2.94Å; A723-I727 VanDerWaalsContact O-N 3.15Å |
| 724 | T | 93.7 | Very high | 93.4 | Very high | 7 Ų | 7 | 64 Ų | 64 | 4% | 0.043 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.8 | -32.4 | 176.3 | 66.9 | 0 | 0 | 0 | 0 | 112.6 | A720 Y721 L722 I727 N728 A741 | A720-T724 WeakPolarHBondContact O-CG2 3.38Å; A720-T724 PolarHBondContact O-N 2.93Å; Y721-T724 WeakPolarHBondContact O-CB 3.44Å; Y721-T724 PolarHBondContact O-N 2.85Å; Y721-T724 PolarHBondContact O-OG1 3.43Å; L722-T724 PolarHBondContact O-N 3.25Å; T724-I727 PolarHBondContact O-N 3.28Å; T724-N728 WeakPolarHBondContact O-CB 3.38Å; T724-N728 PolarHBondContact O-N 3.49Å; T724-N728 PolarHBondContact O-ND2 3.06Å; T724-A741 HydrophobicContact CG2-CB 4.22Å |
| 725 | F | 94.2 | Very high | 93 | Very high | 116 Ų | 116 | 63.7 Ų | 63.7 | 51% | 0.509 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.9 | -57.2 | 179 | -62.9 | -73 | 0 | 0 | 0 | 113.5 | Y721 L722 A723 I727 N728 A729 | Y721-F725 HydrophobicContact CD1-CE2 4.4Å; Y721-F725 AromaticContact CE1-CE2 3.89Å; Y721-F725 HydrophobicContact CE1-CE2 3.89Å; Y721-F725 HydrophobicContact CE1-CZ 4.1Å; L722-F725 HydrophobicContact CD2-CE2 4.28Å; L722-F725 WeakPolarHBondContact O-CD2 3.14Å; L722-F725 PolarHBondContact O-N 3.3Å; A723-F725 VanDerWaalsContact C-N 3.25Å; A723-F725 PolarHBondContact O-N 2.92Å; F725-I727 VanDerWaalsContact C-N 3.3Å; F725-I727 PolarHBondContact O-N 2.74Å; F725-N728 PolarHBondContact O-N 2.76Å; F725-A729 PolarHBondContact O-N 2.81Å |
| 726 | P | 95.2 | Very high | 92.4 | Very high | 72 Ų | 72 | 69.6 Ų | 69.6 | 47% | 0.468 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.6 | -34 | 176.6 | 25.8 | -34.4 | 0 | 0 | 0 | 112.1 | L722 A723 A729 I730 | L722-P726 WeakPolarHBondContact O-CD 3.33Å; A723-P726 WeakPolarHBondContact O-CD 3.48Å; A723-P726 VanDerWaalsContact O-CG 3.31Å; A723-P726 WeakPolarHBondContact O-CG 3.33Å; P726-A729 PolarHBondContact O-N 2.64Å; P726-I730 VanDerWaalsContact O-CG1 3.29Å; P726-I730 WeakPolarHBondContact O-CG1 3.46Å; P726-I730 PolarHBondContact O-N 2.67Å |
| 727 | I | 94 | Very high | 91.9 | Very high | 38 Ų | 38 | 72.3 Ų | 72.3 | 20% | 0.195 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 175.4 | -70.2 | 169.7 | 0 | 0 | 0 | 110.3 | I277 L281 A723 T724 F725 A729 I730 L731 A741 | I277-I727 HydrophobicContact CD1-CD1 4.38Å; I277-I727 HydrophobicContact CG1-CD1 4.29Å; I277-I727 HydrophobicContact CG2-CD1 3.76Å; L281-I727 HydrophobicContact CD2-CG2 3.86Å; A723-I727 HydrophobicContact CB-CD1 4.2Å; A723-I727 WeakPolarHBondContact O-CB 3.41Å; A723-I727 VanDerWaalsContact O-CD1 3.29Å; A723-I727 WeakPolarHBondContact O-CD1 3.41Å; A723-I727 WeakPolarHBondContact O-CG1 3.43Å; A723-I727 PolarHBondContact O-N 2.94Å; A723-I727 VanDerWaalsContact O-N 3.15Å; T724-I727 PolarHBondContact O-N 3.28Å; F725-I727 VanDerWaalsContact C-N 3.3Å; F725-I727 PolarHBondContact O-N 2.74Å; I727-A729 VanDerWaalsContact C-N 3.34Å; I727-A729 PolarHBondContact O-N 3.47Å; I727-I730 PolarHBondContact O-N 3.11Å; I727-L731 HydrophobicContact CG2-CD1 3.78Å; I727-L731 HydrophobicContact CG2-CG 4.27Å; I727-L731 WeakPolarHBondContact O-CB 3.22Å; I727-L731 VanDerWaalsContact O-CG 3.3Å; I727-L731 WeakPolarHBondContact O-CG 3.37Å; I727-L731 PolarHBondContact O-N 3.24Å; I727-A741 HydrophobicContact CB-CB 4.48Å; I727-A741 HydrophobicContact CG2-CB 3.84Å |
| 728 | N | 93.6 | Very high | 91.3 | Very high | 22 Ų | 22 | 77.6 Ų | 77.6 | 12% | 0.118 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63 | -38.8 | 177.1 | -78.5 | -27.8 | 0 | 0 | 0 | 112.4 | T724 F725 L731 Y732 V740 A741 | T724-N728 WeakPolarHBondContact O-CB 3.38Å; T724-N728 PolarHBondContact O-N 3.49Å; T724-N728 PolarHBondContact O-ND2 3.06Å; F725-N728 PolarHBondContact O-N 2.76Å; N728-L731 PolarHBondContact O-N 2.83Å; N728-Y732 VanDerWaalsContact O-CB 3.28Å; N728-Y732 WeakPolarHBondContact O-CB 3.47Å; N728-Y732 PolarHBondContact O-N 3.21Å; N728-V740 PolarHBondContact OD1-N 2.9Å; N728-A741 PolarHBondContact ND2-O 2.87Å; N728-A741 WeakPolarHBondContact OD1-CA 3.38Å; N728-A741 VanDerWaalsContact OD1-CB 3.28Å; N728-A741 WeakPolarHBondContact OD1-CB 3.34Å; N728-A741 PolarHBondContact OD1-N 2.79Å |
| 729 | A | 93 | Very high | 90.9 | Very high | 54 Ų | 54 | 77.3 Ų | 77.3 | 45% | 0.446 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F725 P726 I727 N733 | F725-A729 PolarHBondContact O-N 2.81Å; P726-A729 PolarHBondContact O-N 2.64Å; I727-A729 VanDerWaalsContact C-N 3.34Å; I727-A729 PolarHBondContact O-N 3.47Å; A729-N733 PolarHBondContact O-N 3.44Å; A729-N733 PolarHBondContact O-ND2 3.05Å |
| 730 | I | 93 | Very high | 90.5 | Very high | 100 Ų | 100 | 75 Ų | 75 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67 | -45.9 | 176.2 | -67.2 | 165.6 | 0 | 0 | 0 | 110.5 | P726 I727 N733 M734 | P726-I730 VanDerWaalsContact O-CG1 3.29Å; P726-I730 WeakPolarHBondContact O-CG1 3.46Å; P726-I730 PolarHBondContact O-N 2.67Å; I727-I730 PolarHBondContact O-N 3.11Å; I730-N733 PolarHBondContact O-N 2.88Å; I730-M734 HydrophobicContact CG2-SD 3.95Å; I730-M734 WeakPolarHBondContact O-CG 3.44Å; I730-M734 PolarHBondContact O-N 2.91Å |
| 731 | L | 90.3 | Very high | 90.3 | Very high | 30 Ų | 30 | 75 Ų | 75 | 16% | 0.157 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 179.7 | -72.2 | 175.3 | 0 | 0 | 0 | 111.5 | L281 I727 N728 N733 M734 T735 V740 | L281-L731 HydrophobicContact CD2-CD1 3.73Å; I727-L731 HydrophobicContact CG2-CD1 3.78Å; I727-L731 HydrophobicContact CG2-CG 4.27Å; I727-L731 WeakPolarHBondContact O-CB 3.22Å; I727-L731 VanDerWaalsContact O-CG 3.3Å; I727-L731 WeakPolarHBondContact O-CG 3.37Å; I727-L731 PolarHBondContact O-N 3.24Å; N728-L731 PolarHBondContact O-N 2.83Å; L731-N733 VanDerWaalsContact C-N 3.29Å; L731-N733 PolarHBondContact O-N 3.01Å; L731-M734 PolarHBondContact O-N 3.32Å; L731-T735 PolarHBondContact O-N 3.32Å; L731-T735 PolarHBondContact O-OG1 3.07Å; L731-V740 HydrophobicContact CD1-CB 3.82Å; L731-V740 HydrophobicContact CD1-CG1 3.93Å |
| 732 | Y | 90.2 | Very high | 90.1 | Very high | 113 Ų | 113 | 71.4 Ų | 71.4 | 44% | 0.443 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -55.6 | -43.8 | 176.6 | 179.9 | -104.6 | 0 | 0 | 0 | 112.2 | N728 M734 E736 E738 | N728-Y732 VanDerWaalsContact O-CB 3.28Å; N728-Y732 WeakPolarHBondContact O-CB 3.47Å; N728-Y732 PolarHBondContact O-N 3.21Å; Y732-M734 PolarHBondContact O-N 3.33Å; Y732-E736 VanDerWaalsContact O-CA 3.23Å; Y732-E736 WeakPolarHBondContact O-CA 3.28Å; Y732-E736 PolarHBondContact O-N 3.33Å; Y732-E738 HydrophobicContact CD2-CG 3.72Å; Y732-E738 HydrophobicContact CE2-CG 3.63Å |
| 733 | N | 91.6 | Very high | 89.8 | Confident | 135 Ų | 135 | 68 Ų | 68 | 72% | 0.722 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66.4 | -23.5 | 177.2 | -71.8 | -21.6 | 0 | 0 | 0 | 114 | A729 I730 L731 | A729-N733 PolarHBondContact O-N 3.44Å; A729-N733 PolarHBondContact O-ND2 3.05Å; I730-N733 PolarHBondContact O-N 2.88Å; L731-N733 VanDerWaalsContact C-N 3.29Å; L731-N733 PolarHBondContact O-N 3.01Å |
| 734 | M | 87.7 | Confident | 89.6 | Confident | 147 Ų | 147 | 69.9 Ų | 69.9 | 72% | 0.724 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -99.1 | -31.1 | -176 | -70.1 | -177.1 | 67.7 | 0 | 0 | 113.6 | I730 L731 Y732 | I730-M734 HydrophobicContact CG2-SD 3.95Å; I730-M734 WeakPolarHBondContact O-CG 3.44Å; I730-M734 PolarHBondContact O-N 2.91Å; L731-M734 PolarHBondContact O-N 3.32Å; Y732-M734 PolarHBondContact O-N 3.33Å |
| 735 | T | 84.9 | Confident | 89.5 | Confident | 63 Ų | 63 | 74.5 Ų | 74.5 | 39% | 0.387 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -126.3 | -6.6 | -170.6 | 67.3 | 0 | 0 | 0 | 0 | 113.5 | L731 L737 | L731-T735 PolarHBondContact O-N 3.32Å; L731-T735 PolarHBondContact O-OG1 3.07Å; T735-L737 PolarHBondContact O-N 3.11Å; T735-L737 WeakPolarHBondContact OG1-CB 3.31Å; T735-L737 PolarHBondContact OG1-N 3.47Å |
| 736 | E | 82.7 | Confident | 89.5 | Confident | 167 Ų | 167 | 73.2 Ų | 73.2 | 78% | 0.78 | 39% | 0.39 | S | S | * | . | trans | 59.6 | 8.7 | -171.6 | -56 | -178.3 | 171.1 | 0 | 0 | 114 | Y732 | Y732-E736 VanDerWaalsContact O-CA 3.23Å; Y732-E736 WeakPolarHBondContact O-CA 3.28Å; Y732-E736 PolarHBondContact O-N 3.33Å | ||
| 737 | L | 82.2 | Confident | 89.2 | Confident | 57 Ų | 57 | 72.4 Ų | 72.4 | 30% | 0.298 | 38% | 0.38 | S | S | . | . | trans | -86.6 | 122.5 | 178.9 | -61.6 | 175.4 | 0 | 0 | 0 | 110.2 | Q288 T735 V740 | Q288-L737 HydrophobicContact CG-CD2 4.26Å; T735-L737 PolarHBondContact O-N 3.11Å; T735-L737 WeakPolarHBondContact OG1-CB 3.31Å; T735-L737 PolarHBondContact OG1-N 3.47Å; L737-V740 HydrophobicContact CB-CG2 3.36Å; L737-V740 HydrophobicContact CD1-CG2 4.2Å; L737-V740 HydrophobicContact CG-CG2 4.43Å | ||
| 738 | E | 82.6 | Confident | 89.2 | Confident | 134 Ų | 134 | 70.8 Ų | 70.8 | 63% | 0.626 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -79.9 | 141.1 | 175.8 | -66.7 | -172.8 | 177.5 | 0 | 0 | 111.7 | Y732 V740 | Y732-E738 HydrophobicContact CD2-CG 3.72Å; Y732-E738 HydrophobicContact CE2-CG 3.63Å; E738-V740 VanDerWaalsContact C-N 3.34Å; E738-V740 PolarHBondContact O-N 3.11Å |
| 739 | N | 85.4 | Confident | 89.2 | Confident | 87 Ų | 87 | 73.8 Ų | 73.8 | 47% | 0.465 | 39% | 0.392 | S | S | . | . | S | Bend | trans | 55.4 | 41.8 | 166.4 | -161.1 | 24.4 | 0 | 0 | 0 | 114.9 | Q742 | N739-Q742 PolarHBondContact ND2-NE2 2.95Å; N739-Q742 WeakPolarHBondContact O-CG 3.14Å; N739-Q742 PolarHBondContact O-NE2 2.83Å |
| 740 | V | 87.5 | Confident | 89.2 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 39% | 0.392 | C | S | . | . | trans | -71.9 | -35.7 | -177.8 | 178.1 | 0 | 0 | 0 | 0 | 113.2 | G284 F285 N728 L731 L737 E738 | G284-V740 CarbonylContact C-O 3.48Å; G284-V740 WeakPolarHBondContact CA-O 3.23Å; F285-V740 HydrophobicContact CD1-CG1 3.59Å; F285-V740 HydrophobicContact CD2-CG1 3.66Å; F285-V740 HydrophobicContact CE1-CG1 3.5Å; F285-V740 HydrophobicContact CE2-CG1 3.55Å; F285-V740 HydrophobicContact CG-CG1 3.67Å; F285-V740 HydrophobicContact CZ-CG1 3.48Å; F285-V740 VanDerWaalsContact CZ-CG1 3.48Å; F285-V740 PolarHBondContact N-O 2.89Å; N728-V740 PolarHBondContact OD1-N 2.9Å; L731-V740 HydrophobicContact CD1-CB 3.82Å; L731-V740 HydrophobicContact CD1-CG1 3.93Å; L737-V740 HydrophobicContact CB-CG2 3.36Å; L737-V740 HydrophobicContact CD1-CG2 4.2Å; L737-V740 HydrophobicContact CG-CG2 4.43Å; E738-V740 VanDerWaalsContact C-N 3.34Å; E738-V740 PolarHBondContact O-N 3.11Å | ||
| 741 | A | 90.4 | Very high | 89.2 | Confident | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.008 | 37% | 0.369 | C | S | . | . | trans | -88.9 | 107.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | L281 T724 I727 N728 | L281-A741 HydrophobicContact CD2-CB 3.89Å; T724-A741 HydrophobicContact CG2-CB 4.22Å; I727-A741 HydrophobicContact CB-CB 4.48Å; I727-A741 HydrophobicContact CG2-CB 3.84Å; N728-A741 PolarHBondContact ND2-O 2.87Å; N728-A741 WeakPolarHBondContact OD1-CA 3.38Å; N728-A741 VanDerWaalsContact OD1-CB 3.28Å; N728-A741 WeakPolarHBondContact OD1-CB 3.34Å; N728-A741 PolarHBondContact OD1-N 2.79Å | ||
| 742 | Q | 90.1 | Very high | 89.3 | Confident | 39 Ų | 39 | 71.5 Ų | 71.5 | 18% | 0.182 | 37% | 0.372 | C | S | . | . | trans | -129.1 | 110 | 178.2 | -68.5 | 179.7 | 40.8 | 0 | 0 | 110.2 | S280 N739 N744 | S280-Q742 WeakPolarHBondContact CA-O 3.47Å; S280-Q742 PolarHBondContact O-N 2.95Å; N739-Q742 PolarHBondContact ND2-NE2 2.95Å; N739-Q742 WeakPolarHBondContact O-CG 3.14Å; N739-Q742 PolarHBondContact O-NE2 2.83Å; Q742-N744 PolarHBondContact O-N 3.47Å | ||
| 743 | L | 90 | Very high | 89.5 | Confident | 24 Ų | 24 | 70.8 Ų | 70.8 | 13% | 0.126 | 38% | 0.375 | C | S | . | . | trans | -78.8 | 105.7 | 173.7 | -174.2 | 63.8 | 0 | 0 | 0 | 109.9 | V717 A720 H747 | V717-L743 HydrophobicContact CG1-CD2 4.03Å; A720-L743 HydrophobicContact CB-CD2 4.38Å; L743-H747 HydrophobicContact CD1-CB 4.42Å | ||
| 744 | N | 89.9 | Confident | 89.5 | Confident | 61 Ų | 61 | 67.2 Ų | 67.2 | 33% | 0.326 | 36% | 0.358 | S | S | . | . | trans | -59.7 | 129.1 | 173.5 | -173.9 | -25.8 | 0 | 0 | 0 | 110.1 | Q742 V746 H747 G748 | Q742-N744 PolarHBondContact O-N 3.47Å; N744-V746 PolarHBondContact O-N 3.04Å; N744-V746 VanDerWaalsContact O-N 3.1Å; N744-V746 WeakPolarHBondContact OD1-CB 3.33Å; N744-V746 PolarHBondContact OD1-N 2.85Å; N744-H747 HydrophobicContact CB-CB 4.42Å; N744-H747 WeakPolarHBondContact O-CB 2.92Å; N744-H747 PolarHBondContact O-N 3.38Å; N744-G748 PolarHBondContact O-N 2.75Å; N744-G748 VanDerWaalsContact O-N 3.09Å | ||
| 745 | P | 91.5 | Very high | 89.6 | Confident | 105 Ų | 105 | 60.4 Ų | 60.4 | 68% | 0.682 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -51.1 | -34.5 | 175.3 | -28.9 | 35.2 | 0 | 0 | 0 | 113.9 | G748 V749 | P745-G748 PolarHBondContact O-N 2.75Å; P745-V749 PolarHBondContact O-N 3.04Å |
| 746 | V | 92.6 | Very high | 90 | Very high | 88 Ų | 88 | 58.4 Ų | 58.4 | 53% | 0.533 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 177.3 | 179.5 | 0 | 0 | 0 | 0 | 111.1 | N744 G748 V749 I750 | N744-V746 PolarHBondContact O-N 3.04Å; N744-V746 VanDerWaalsContact O-N 3.1Å; N744-V746 WeakPolarHBondContact OD1-CB 3.33Å; N744-V746 PolarHBondContact OD1-N 2.85Å; V746-G748 VanDerWaalsContact C-N 3.3Å; V746-G748 PolarHBondContact O-N 2.91Å; V746-V749 PolarHBondContact O-N 3.42Å; V746-I750 HydrophobicContact CG1-CD1 3.92Å; V746-I750 VanDerWaalsContact O-CG1 3.31Å; V746-I750 WeakPolarHBondContact O-CG1 3.49Å; V746-I750 PolarHBondContact O-N 2.91Å |
| 747 | H | 90.3 | Very high | 90.4 | Very high | 55 Ų | 55 | 54 Ų | 54 | 26% | 0.255 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.7 | -39.1 | 174.4 | -66.5 | -40.8 | 0 | 0 | 0 | 111.3 | L279 L743 N744 V749 I750 L751 | L279-H747 HydrophobicContact CD1-CB 4.16Å; L743-H747 HydrophobicContact CD1-CB 4.42Å; N744-H747 HydrophobicContact CB-CB 4.42Å; N744-H747 WeakPolarHBondContact O-CB 2.92Å; N744-H747 PolarHBondContact O-N 3.38Å; H747-V749 PolarHBondContact O-N 2.9Å; H747-I750 PolarHBondContact O-N 3.14Å; H747-L751 WeakPolarHBondContact O-CB 2.92Å; H747-L751 VanDerWaalsContact O-CG 3.24Å; H747-L751 WeakPolarHBondContact O-CG 2.94Å; H747-L751 PolarHBondContact O-N 2.9Å |
| 748 | G | 92.7 | Very high | 90.7 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.1 | -48.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V717 N744 P745 V746 L751 I752 | V717-G748 WeakPolarHBondContact CG2-O 3.32Å; N744-G748 PolarHBondContact O-N 2.75Å; N744-G748 VanDerWaalsContact O-N 3.09Å; P745-G748 PolarHBondContact O-N 2.75Å; V746-G748 VanDerWaalsContact C-N 3.3Å; V746-G748 PolarHBondContact O-N 2.91Å; G748-L751 PolarHBondContact O-N 3.15Å; G748-I752 WeakPolarHBondContact O-CG1 3.34Å; G748-I752 PolarHBondContact O-N 3Å; G748-I752 VanDerWaalsContact O-N 3.15Å |
| 749 | V | 94.4 | Very high | 91 | Very high | 85 Ų | 85 | 46.4 Ų | 46.4 | 52% | 0.515 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 177.4 | 175.8 | 0 | 0 | 0 | 0 | 111.6 | P745 V746 H747 L751 I752 I753 | P745-V749 PolarHBondContact O-N 3.04Å; V746-V749 PolarHBondContact O-N 3.42Å; H747-V749 PolarHBondContact O-N 2.9Å; V749-L751 VanDerWaalsContact C-N 3.3Å; V749-L751 PolarHBondContact O-N 2.85Å; V749-I752 PolarHBondContact O-N 3.38Å; V749-I753 HydrophobicContact CG1-CD1 4.05Å; V749-I753 WeakPolarHBondContact O-CG1 3.32Å; V749-I753 PolarHBondContact O-N 2.73Å; V749-I753 VanDerWaalsContact O-N 3.11Å |
| 750 | I | 93.3 | Very high | 91.2 | Very high | 85 Ų | 85 | 45.3 Ų | 45.3 | 44% | 0.436 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 177.5 | -68.4 | 167.4 | 0 | 0 | 0 | 110.5 | V746 H747 I752 I753 V754 | V746-I750 HydrophobicContact CG1-CD1 3.92Å; V746-I750 VanDerWaalsContact O-CG1 3.31Å; V746-I750 WeakPolarHBondContact O-CG1 3.49Å; V746-I750 PolarHBondContact O-N 2.91Å; H747-I750 PolarHBondContact O-N 3.14Å; I750-I752 VanDerWaalsContact C-N 3.35Å; I750-I752 PolarHBondContact O-N 2.78Å; I750-I753 PolarHBondContact O-N 2.9Å; I750-V754 HydrophobicContact CG2-CG2 4.15Å; I750-V754 WeakPolarHBondContact O-CB 3.48Å; I750-V754 VanDerWaalsContact O-CG2 3.29Å; I750-V754 WeakPolarHBondContact O-CG2 3.47Å; I750-V754 PolarHBondContact O-N 3.39Å |
| 751 | L | 92.4 | Very high | 91.4 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -38.1 | 178.3 | -73.7 | 173.4 | 0 | 0 | 0 | 112.9 | I272 I275 L279 V717 H747 G748 V749 I753 V754 S755 | I272-L751 HydrophobicContact CG2-CB 4.09Å; I275-L751 HydrophobicContact CB-CD2 4.03Å; I275-L751 HydrophobicContact CG2-CD2 3.59Å; L279-L751 HydrophobicContact CD1-CD1 4.38Å; L279-L751 HydrophobicContact CD1-CD2 4.32Å; L279-L751 HydrophobicContact CD1-CG 4.44Å; V717-L751 HydrophobicContact CG2-CB 3.9Å; V717-L751 HydrophobicContact CG2-CD1 4.3Å; H747-L751 WeakPolarHBondContact O-CB 2.92Å; H747-L751 VanDerWaalsContact O-CG 3.24Å; H747-L751 WeakPolarHBondContact O-CG 2.94Å; H747-L751 PolarHBondContact O-N 2.9Å; G748-L751 PolarHBondContact O-N 3.15Å; V749-L751 VanDerWaalsContact C-N 3.3Å; V749-L751 PolarHBondContact O-N 2.85Å; L751-I753 VanDerWaalsContact C-N 3.34Å; L751-V754 PolarHBondContact O-N 2.81Å; L751-S755 VanDerWaalsContact O-CB 3.23Å; L751-S755 WeakPolarHBondContact O-CB 3.32Å; L751-S755 PolarHBondContact O-N 3.21Å |
| 752 | I | 93.8 | Very high | 91.2 | Very high | 43 Ų | 43 | 50.2 Ų | 50.2 | 22% | 0.221 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 175.2 | -65.3 | 167.5 | 0 | 0 | 0 | 110.7 | V717 G748 V749 I750 T756 | V717-I752 HydrophobicContact CG2-CG1 4.03Å; G748-I752 WeakPolarHBondContact O-CG1 3.34Å; G748-I752 PolarHBondContact O-N 3Å; G748-I752 VanDerWaalsContact O-N 3.15Å; V749-I752 PolarHBondContact O-N 3.38Å; I750-I752 VanDerWaalsContact C-N 3.35Å; I750-I752 PolarHBondContact O-N 2.78Å; I752-T756 WeakPolarHBondContact O-CB 3.27Å; I752-T756 PolarHBondContact O-N 3.02Å; I752-T756 PolarHBondContact O-OG1 2.8Å |
| 753 | I | 93.9 | Very high | 91 | Very high | 98 Ų | 98 | 48.3 Ų | 48.3 | 50% | 0.503 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.6 | -49.2 | 177.3 | -65.3 | 168.1 | 0 | 0 | 0 | 110.2 | V749 I750 L751 S755 T756 V757 | V749-I753 HydrophobicContact CG1-CD1 4.05Å; V749-I753 WeakPolarHBondContact O-CG1 3.32Å; V749-I753 PolarHBondContact O-N 2.73Å; V749-I753 VanDerWaalsContact O-N 3.11Å; I750-I753 PolarHBondContact O-N 2.9Å; L751-I753 VanDerWaalsContact C-N 3.34Å; I753-S755 VanDerWaalsContact C-N 3.34Å; I753-S755 PolarHBondContact O-N 2.88Å; I753-T756 PolarHBondContact O-N 2.72Å; I753-V757 HydrophobicContact CG2-CG2 4.43Å; I753-V757 WeakPolarHBondContact O-CG2 3.43Å; I753-V757 PolarHBondContact O-N 3.24Å |
| 754 | V | 90.7 | Very high | 91.1 | Very high | 61 Ų | 61 | 50 Ų | 50 | 37% | 0.37 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 178.6 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | L662 I750 L751 T756 V757 L758 | L662-V754 HydrophobicContact CD1-CG1 4.22Å; I750-V754 HydrophobicContact CG2-CG2 4.15Å; I750-V754 WeakPolarHBondContact O-CB 3.48Å; I750-V754 VanDerWaalsContact O-CG2 3.29Å; I750-V754 WeakPolarHBondContact O-CG2 3.47Å; I750-V754 PolarHBondContact O-N 3.39Å; L751-V754 PolarHBondContact O-N 2.81Å; V754-T756 PolarHBondContact O-N 2.78Å; V754-V757 PolarHBondContact O-N 3.31Å; V754-L758 WeakPolarHBondContact O-CB 3.32Å; V754-L758 PolarHBondContact O-N 2.93Å |
| 755 | S | 90.7 | Very high | 91 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -54.9 | -52.6 | 173.9 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | G709 S712 G713 L751 I753 V757 L758 T759 | G709-S755 PolarHBondContact O-OG 3.08Å; S712-S755 PolarHBondContact OG-OG 2.85Å; G713-S755 PolarHBondContact N-OG 2.88Å; L751-S755 VanDerWaalsContact O-CB 3.23Å; L751-S755 WeakPolarHBondContact O-CB 3.32Å; L751-S755 PolarHBondContact O-N 3.21Å; I753-S755 VanDerWaalsContact C-N 3.34Å; I753-S755 PolarHBondContact O-N 2.88Å; S755-V757 PolarHBondContact O-N 3.04Å; S755-L758 PolarHBondContact O-N 3.46Å; S755-T759 WeakPolarHBondContact O-CG2 3.4Å; S755-T759 PolarHBondContact O-N 3.36Å; S755-T759 PolarHBondContact O-OG1 2.91Å |
| 756 | T | 91.9 | Very high | 90.8 | Very high | 21 Ų | 21 | 48.1 Ų | 48.1 | 13% | 0.129 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.8 | -42 | -177.7 | -53.8 | 0 | 0 | 0 | 0 | 112.2 | V710 I752 I753 V754 T759 M760 | V710-T756 HydrophobicContact CG2-CG2 4.05Å; V710-T756 WeakPolarHBondContact CG2-OG1 3.17Å; V710-T756 PolarHBondContact N-OG1 3.02Å; I752-T756 WeakPolarHBondContact O-CB 3.27Å; I752-T756 PolarHBondContact O-N 3.02Å; I752-T756 PolarHBondContact O-OG1 2.8Å; I753-T756 PolarHBondContact O-N 2.72Å; V754-T756 PolarHBondContact O-N 2.78Å; T756-T759 PolarHBondContact O-OG1 3.27Å; T756-M760 HydrophobicContact CG2-SD 4.23Å; T756-M760 WeakPolarHBondContact O-CB 3.46Å; T756-M760 WeakPolarHBondContact O-CG 3.11Å; T756-M760 PolarHBondContact O-N 2.95Å; T756-M760 VanDerWaalsContact O-N 3.09Å |
| 757 | V | 91.8 | Very high | 90.6 | Very high | 76 Ų | 76 | 44 Ų | 44 | 46% | 0.461 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.1 | -46.9 | 177.5 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | I753 V754 S755 T759 M760 I761 | I753-V757 HydrophobicContact CG2-CG2 4.43Å; I753-V757 WeakPolarHBondContact O-CG2 3.43Å; I753-V757 PolarHBondContact O-N 3.24Å; V754-V757 PolarHBondContact O-N 3.31Å; S755-V757 PolarHBondContact O-N 3.04Å; V757-T759 PolarHBondContact O-N 3.05Å; V757-M760 PolarHBondContact O-N 3.5Å; V757-I761 HydrophobicContact CG1-CD1 3.76Å; V757-I761 HydrophobicContact CG1-CG1 4.45Å; V757-I761 VanDerWaalsContact O-CG1 3.27Å; V757-I761 WeakPolarHBondContact O-CG1 3.47Å; V757-I761 PolarHBondContact O-N 2.77Å |
| 758 | L | 88.5 | Confident | 90.5 | Very high | 27 Ų | 27 | 48.6 Ų | 48.6 | 14% | 0.141 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -43.7 | -179.2 | -172.6 | 77.1 | 0 | 0 | 0 | 112.2 | L662 M666 V754 S755 M760 I761 G762 | L662-L758 HydrophobicContact CD1-CD2 4.11Å; L662-L758 HydrophobicContact CD2-CD1 3.5Å; L662-L758 VanDerWaalsContact CD2-CD1 3.5Å; L662-L758 HydrophobicContact CD2-CD2 3.26Å; L662-L758 HydrophobicContact CD2-CG 3.93Å; L662-L758 HydrophobicContact CG-CD2 3.35Å; L662-L758 HydrophobicContact CG-CG 4.48Å; M666-L758 HydrophobicContact CB-CD1 4.15Å; M666-L758 HydrophobicContact CB-CD2 4.2Å; M666-L758 HydrophobicContact CB-CG 4.09Å; M666-L758 HydrophobicContact CG-CD1 4.15Å; M666-L758 HydrophobicContact CG-CG 4.26Å; M666-L758 HydrophobicContact SD-CD1 3.72Å; M666-L758 HydrophobicContact SD-CG 4.46Å; V754-L758 WeakPolarHBondContact O-CB 3.32Å; V754-L758 PolarHBondContact O-N 2.93Å; S755-L758 PolarHBondContact O-N 3.46Å; L758-M760 VanDerWaalsContact C-N 3.29Å; L758-M760 PolarHBondContact O-N 2.79Å; L758-I761 PolarHBondContact O-N 3Å; L758-G762 PolarHBondContact O-N 3.27Å |
| 759 | T | 88.8 | Confident | 90.2 | Very high | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.7 | -38 | 179 | 64.9 | 0 | 0 | 0 | 0 | 111.2 | I669 T705 G709 S755 T756 V757 G763 | I669-T759 HydrophobicContact CD1-CG2 3.41Å; I669-T759 VanDerWaalsContact CD1-CG2 3.41Å; T705-T759 PolarHBondContact O-OG1 3.42Å; G709-T759 WeakPolarHBondContact CA-OG1 3.36Å; S755-T759 WeakPolarHBondContact O-CG2 3.4Å; S755-T759 PolarHBondContact O-N 3.36Å; S755-T759 PolarHBondContact O-OG1 2.91Å; T756-T759 PolarHBondContact O-OG1 3.27Å; V757-T759 PolarHBondContact O-N 3.05Å; T759-G763 PolarHBondContact O-N 3.49Å |
| 760 | M | 90.3 | Very high | 89.7 | Confident | 63 Ų | 63 | 48.9 Ų | 48.9 | 31% | 0.31 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64 | -45 | 174.1 | -75.3 | -178.9 | 69.4 | 0 | 0 | 111.7 | C706 T756 V757 L758 G763 H764 | C706-M760 HydrophobicContact CB-CG 4.12Å; C706-M760 HydrophobicContact CB-SD 3.93Å; T756-M760 HydrophobicContact CG2-SD 4.23Å; T756-M760 WeakPolarHBondContact O-CB 3.46Å; T756-M760 WeakPolarHBondContact O-CG 3.11Å; T756-M760 PolarHBondContact O-N 2.95Å; T756-M760 VanDerWaalsContact O-N 3.09Å; V757-M760 PolarHBondContact O-N 3.5Å; L758-M760 VanDerWaalsContact C-N 3.29Å; L758-M760 PolarHBondContact O-N 2.79Å; M760-G763 PolarHBondContact O-N 2.99Å; M760-H764 WeakPolarHBondContact O-CB 3.28Å; M760-H764 PolarHBondContact O-N 2.81Å |
| 761 | I | 90.5 | Very high | 89.3 | Confident | 95 Ų | 95 | 45 Ų | 45 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.8 | -47.6 | 178 | -64.5 | 167.1 | 0 | 0 | 0 | 110.5 | M666 V757 L758 G763 H764 | M666-I761 HydrophobicContact CE-CB 4.34Å; M666-I761 HydrophobicContact CE-CG2 3.58Å; V757-I761 HydrophobicContact CG1-CD1 3.76Å; V757-I761 HydrophobicContact CG1-CG1 4.45Å; V757-I761 VanDerWaalsContact O-CG1 3.27Å; V757-I761 WeakPolarHBondContact O-CG1 3.47Å; V757-I761 PolarHBondContact O-N 2.77Å; L758-I761 PolarHBondContact O-N 3Å; I761-G763 VanDerWaalsContact C-N 3.3Å; I761-G763 PolarHBondContact O-N 3Å; I761-H764 PolarHBondContact O-N 3.18Å |
| 762 | G | 86 | Confident | 89.1 | Confident | 9 Ų | 9 | 52.7 Ų | 52.7 | 9% | 0.093 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.1 | -35.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L758 | L758-G762 PolarHBondContact O-N 3.27Å |
| 763 | G | 87.7 | Confident | 88.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -84.6 | -17.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T759 M760 I761 I765 P766 A767 | T759-G763 PolarHBondContact O-N 3.49Å; M760-G763 PolarHBondContact O-N 2.99Å; I761-G763 VanDerWaalsContact C-N 3.3Å; I761-G763 PolarHBondContact O-N 3Å; G763-I765 PolarHBondContact O-N 3.12Å; G763-P766 WeakPolarHBondContact O-CD 3.36Å; G763-A767 WeakPolarHBondContact O-CB 3.18Å; G763-A767 PolarHBondContact O-N 3.27Å |
| 764 | H | 90.8 | Very high | 88 | Confident | 58 Ų | 58 | 52 Ų | 52 | 27% | 0.269 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.6 | -35 | -173.2 | -166.9 | 61.3 | 0 | 0 | 0 | 113.4 | D702 M760 I761 A767 R768 | D702-H764 IonicContact OD1-CE1 2.67Å; D702-H764 IonicContact OD1-CG 2.74Å; D702-H764 IonicContact OD1-ND1 3.86Å; D702-H764 PolarHBondContact OD1-ND1 3.26Å; D702-H764 IonicContact OD2-CE1 2.89Å; D702-H764 PolarHBondContact OD2-CE1 3.39Å; D702-H764 IonicContact OD2-ND1 2.78Å; D702-H764 PolarHBondContact OD2-ND1 2.84Å; M760-H764 WeakPolarHBondContact O-CB 3.28Å; M760-H764 PolarHBondContact O-N 2.81Å; I761-H764 PolarHBondContact O-N 3.18Å; H764-A767 PolarHBondContact O-N 3.07Å; H764-R768 PolarHBondContact NE2-NE 2.83Å; H764-R768 PolarHBondContact O-N 3.42Å |
| 765 | I | 88.8 | Confident | 87.7 | Confident | 119 Ų | 119 | 49.4 Ų | 49.4 | 61% | 0.61 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -64.2 | -54.4 | 178.6 | -66.8 | 171.9 | 0 | 0 | 0 | 110.4 | G763 A767 R768 M769 | G763-I765 PolarHBondContact O-N 3.12Å; I765-A767 VanDerWaalsContact C-N 3.3Å; I765-A767 PolarHBondContact O-N 2.98Å; I765-R768 PolarHBondContact O-N 2.8Å; I765-M769 PolarHBondContact O-N 2.9Å |
| 766 | P | 87 | Confident | 87.2 | Confident | 9 Ų | 9 | 49.5 Ų | 49.5 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55 | -41.3 | 171.3 | -27.2 | 33 | 0 | 0 | 0 | 113.7 | G670 T673 V677 G763 R768 M769 A770 | G670-P766 WeakPolarHBondContact O-CG 3.26Å; T673-P766 HydrophobicContact CG2-CB 3.92Å; T673-P766 HydrophobicContact CG2-CG 4.42Å; V677-P766 HydrophobicContact CG2-CB 4.45Å; G763-P766 WeakPolarHBondContact O-CD 3.36Å; P766-R768 VanDerWaalsContact C-N 3.32Å; P766-R768 PolarHBondContact O-N 2.97Å; P766-M769 WeakPolarHBondContact O-CB 3.26Å; P766-M769 PolarHBondContact O-N 2.94Å; P766-M769 VanDerWaalsContact O-N 3.14Å; P766-A770 PolarHBondContact O-N 3Å |
| 767 | A | 88.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.8 | -38.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T698 F701 G763 H764 I765 A770 A771 | T698-A767 HydrophobicContact CG2-CB 4.03Å; F701-A767 HydrophobicContact CB-CB 3.51Å; F701-A767 HydrophobicContact CG-CB 4.46Å; G763-A767 WeakPolarHBondContact O-CB 3.18Å; G763-A767 PolarHBondContact O-N 3.27Å; H764-A767 PolarHBondContact O-N 3.07Å; I765-A767 VanDerWaalsContact C-N 3.3Å; I765-A767 PolarHBondContact O-N 2.98Å; A767-A770 WeakPolarHBondContact O-CB 3.25Å; A767-A771 PolarHBondContact O-N 2.92Å |
| 768 | R | 89.1 | Confident | 86.3 | Confident | 152 Ų | 152 | 50.6 Ų | 50.6 | 57% | 0.574 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -69.5 | -38.7 | 173.2 | -80.1 | -171.6 | 170.8 | -170.2 | -2.7 | 112.5 | T698 H764 I765 P766 A771 K772 | T698-R768 HydrophobicContact CG2-CG 4.17Å; H764-R768 PolarHBondContact NE2-NE 2.83Å; H764-R768 PolarHBondContact O-N 3.42Å; I765-R768 PolarHBondContact O-N 2.8Å; P766-R768 VanDerWaalsContact C-N 3.32Å; P766-R768 PolarHBondContact O-N 2.97Å; R768-A771 PolarHBondContact O-N 3.29Å; R768-K772 PolarHBondContact O-N 3.34Å |
| 769 | M | 86.3 | Confident | 85.9 | Confident | 97 Ų | 97 | 50.4 Ų | 50.4 | 48% | 0.478 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 174.9 | -71.2 | -178.2 | 66.4 | 0 | 0 | 111.3 | Y674 I765 P766 A771 K772 K773 | Y674-M769 HydrophobicContact CE2-CE 3.93Å; Y674-M769 HydrophobicContact CE2-SD 4.45Å; I765-M769 PolarHBondContact O-N 2.9Å; P766-M769 WeakPolarHBondContact O-CB 3.26Å; P766-M769 PolarHBondContact O-N 2.94Å; P766-M769 VanDerWaalsContact O-N 3.14Å; M769-A771 VanDerWaalsContact C-N 3.3Å; M769-A771 PolarHBondContact O-N 2.64Å; M769-K772 PolarHBondContact O-N 3.44Å; M769-K772 VanDerWaalsContact O-N 3.08Å; M769-K773 PolarHBondContact O-N 3.07Å |
| 770 | A | 83.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -54.8 | -46.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V677 I684 I697 F701 P766 A767 K772 K773 | V677-A770 HydrophobicContact CB-CB 4.17Å; V677-A770 HydrophobicContact CG1-CB 3.39Å; V677-A770 HydrophobicContact CG2-CB 3.66Å; I684-A770 HydrophobicContact CD1-CB 4.02Å; I697-A770 HydrophobicContact CG2-CB 4.44Å; F701-A770 HydrophobicContact CD2-CB 3.86Å; F701-A770 HydrophobicContact CE2-CB 3.65Å; F701-A770 HydrophobicContact CZ-CB 4.3Å; P766-A770 PolarHBondContact O-N 3Å; A767-A770 WeakPolarHBondContact O-CB 3.25Å; A770-K772 PolarHBondContact O-N 3.29Å; A770-K773 PolarHBondContact O-N 3.18Å |
| 771 | A | 85.6 | Confident | 84 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 3% | 0.033 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.3 | -19.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K688 K694 I697 T698 A767 R768 M769 | K688-A771 WeakPolarHBondContact CE-O 3.5Å; K688-A771 PolarHBondContact NZ-O 3.34Å; K694-A771 HydrophobicContact CB-CB 4.3Å; K694-A771 WeakPolarHBondContact CG-O 3.39Å; K694-A771 WeakPolarHBondContact O-CB 3.3Å; I697-A771 HydrophobicContact CB-CB 4.15Å; I697-A771 HydrophobicContact CG2-CB 4.18Å; T698-A771 WeakPolarHBondContact OG1-CB 3.37Å; A767-A771 PolarHBondContact O-N 2.92Å; R768-A771 PolarHBondContact O-N 3.29Å; M769-A771 VanDerWaalsContact C-N 3.3Å; M769-A771 PolarHBondContact O-N 2.64Å |
| 772 | K | 86.1 | Confident | 82.1 | Confident | 168 Ų | 168 | 63.4 Ų | 63.4 | 73% | 0.73 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -86.4 | -14.8 | 176.9 | -73.6 | -177.4 | 179.3 | -175.1 | 0 | 114 | R768 M769 A770 D774 | R768-K772 PolarHBondContact O-N 3.34Å; M769-K772 PolarHBondContact O-N 3.44Å; M769-K772 VanDerWaalsContact O-N 3.08Å; A770-K772 PolarHBondContact O-N 3.29Å; K772-D774 PolarHBondContact O-N 3.12Å |
| 773 | K | 83 | Confident | 81.9 | Confident | 66 Ų | 66 | 66.2 Ų | 66.2 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -59.3 | 134.9 | 178.9 | -70 | -162 | 176.6 | -164.7 | 0 | 111.7 | T681 K688 M769 A770 | T681-K773 HydrophobicContact CG2-CD 3.94Å; T681-K773 PolarHBondContact OG1-NZ 2.9Å; K688-K773 PolarHBondContact NZ-O 2.76Å; M769-K773 PolarHBondContact O-N 3.07Å; A770-K773 PolarHBondContact O-N 3.18Å |
| 774 | D | 82.4 | Confident | 81.6 | Confident | 59 Ų | 59 | 69.6 Ų | 69.6 | 32% | 0.316 | 33% | 0.328 | S | S | . | . | trans | -65.7 | 140.1 | 175.2 | -168.5 | -64.8 | 0 | 0 | 0 | 110.7 | K772 A776 I777 A778 | K772-D774 PolarHBondContact O-N 3.12Å; D774-A776 WeakPolarHBondContact OD1-CB 3.46Å; D774-A776 PolarHBondContact OD1-N 2.84Å; D774-I777 HydrophobicContact CB-CB 4.04Å; D774-I777 HydrophobicContact CB-CD1 3.77Å; D774-I777 HydrophobicContact CB-CG1 3.84Å; D774-A778 WeakPolarHBondContact O-CB 3.25Å; D774-A778 PolarHBondContact O-N 2.78Å | ||
| 775 | A | 83.9 | Confident | 81 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 7% | 0.066 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66 | -43.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112 | L54 K688 A778 L779 | L54-A775 HydrophobicContact CD2-CB 4.38Å; K688-A775 HydrophobicContact CB-CB 3.72Å; K688-A775 HydrophobicContact CD-CB 4.21Å; A775-A778 PolarHBondContact O-N 2.71Å; A775-L779 VanDerWaalsContact O-CG 3.27Å; A775-L779 WeakPolarHBondContact O-CG 3.47Å; A775-L779 PolarHBondContact O-N 2.85Å |
| 776 | A | 81.4 | Confident | 80.6 | Confident | 4 Ų | 4 | 67.4 Ų | 67.4 | 3% | 0.033 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.9 | -41.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D55 D774 R780 | D55-A776 HydrophobicContact CB-CB 4.48Å; D774-A776 WeakPolarHBondContact OD1-CB 3.46Å; D774-A776 PolarHBondContact OD1-N 2.84Å; A776-R780 WeakPolarHBondContact O-CG 3.1Å; A776-R780 PolarHBondContact O-N 2.87Å |
| 777 | I | 81.4 | Confident | 80.2 | Confident | 118 Ų | 118 | 71.1 Ų | 71.1 | 61% | 0.605 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.8 | -42.7 | 175.1 | -58.4 | 178 | 0 | 0 | 0 | 110.2 | D774 L779 R780 A781 | D774-I777 HydrophobicContact CB-CB 4.04Å; D774-I777 HydrophobicContact CB-CD1 3.77Å; D774-I777 HydrophobicContact CB-CG1 3.84Å; I777-L779 VanDerWaalsContact C-N 3.29Å; I777-L779 PolarHBondContact O-N 3.02Å; I777-R780 PolarHBondContact O-N 3.41Å; I777-R780 VanDerWaalsContact O-N 3.13Å; I777-A781 PolarHBondContact O-N 3.09Å |
| 778 | A | 82.1 | Confident | 79.7 | Confident | 2 Ų | 2 | 75.8 Ų | 75.8 | 2% | 0.017 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.9 | -32.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T681 K682 D774 A775 R780 | T681-A778 HydrophobicContact CG2-CB 3.79Å; T681-A778 WeakPolarHBondContact O-CB 3.24Å; K682-A778 WeakPolarHBondContact CA-O 3.49Å; D774-A778 WeakPolarHBondContact O-CB 3.25Å; D774-A778 PolarHBondContact O-N 2.78Å; A775-A778 PolarHBondContact O-N 2.71Å; A778-R780 VanDerWaalsContact C-N 3.32Å |
| 779 | L | 82 | Confident | 79 | Confident | 23 Ų | 23 | 70.4 Ų | 70.4 | 12% | 0.12 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -73.9 | -22.2 | 175.7 | -71.5 | 168.5 | 0 | 0 | 0 | 113.5 | L54 F89 N93 V686 A689 A775 I777 | L54-L779 HydrophobicContact CD1-CD1 4.39Å; F89-L779 HydrophobicContact CD1-CD1 4.28Å; F89-L779 HydrophobicContact CE1-CD1 3.41Å; F89-L779 VanDerWaalsContact CE1-CD1 3.41Å; F89-L779 HydrophobicContact CZ-CD1 3.66Å; N93-L779 HydrophobicContact CB-CD2 4.49Å; V686-L779 HydrophobicContact CG2-CD2 3.78Å; A689-L779 HydrophobicContact CB-CD1 4.44Å; A775-L779 VanDerWaalsContact O-CG 3.27Å; A775-L779 WeakPolarHBondContact O-CG 3.47Å; A775-L779 PolarHBondContact O-N 2.85Å; I777-L779 VanDerWaalsContact C-N 3.29Å; I777-L779 PolarHBondContact O-N 3.02Å |
| 780 | R | 72.3 | Confident | 78.4 | Confident | 138 Ų | 138 | 68.3 Ų | 68.3 | 52% | 0.521 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -88.5 | -12.5 | 176.3 | -69 | 177.4 | -176.8 | 171.4 | 3.9 | 113.6 | A776 I777 A778 E782 | A776-R780 WeakPolarHBondContact O-CG 3.1Å; A776-R780 PolarHBondContact O-N 2.87Å; I777-R780 PolarHBondContact O-N 3.41Å; I777-R780 VanDerWaalsContact O-N 3.13Å; A778-R780 VanDerWaalsContact C-N 3.32Å; R780-E782 PolarHBondContact O-N 2.71Å |
| 781 | A | 65.1 | Low | 78 | Confident | 35 Ų | 35 | 74 Ų | 74 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | trans | -65.9 | 125 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | T681 I777 | T681-A781 HydrophobicContact CG2-CB 3.71Å; I777-A781 PolarHBondContact O-N 3.09Å | ||
| 782 | E | 50.7 | Low | 77.3 | Confident | 263 Ų | 263 | 80.4 Ų | 80.4 | 100% | 1.229 | 38% | 0.383 | S | S | * | . | trans | -73.9 | 0 | 170.8 | -68.9 | -168 | 155.8 | 0 | 0 | 111.9 | R780 | R780-E782 PolarHBondContact O-N 2.71Š|
Retrieved 782 of 782 residues in 318.5 ms
(Link to these results)