| 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 | 51 | Low | 63.4 | Low | 241 Ų | 241 | 130.5 Ų | 130.5 | 100% | 1.187 | 67% | 0.673 | S | S | * | * | 0 | 121.3 | 0 | -84.9 | 164.9 | 152.3 | 0 | 0 | 107.2 | |||||
| 2 | R | 53.3 | Low | 64.4 | Low | 218 Ų | 218 | 128.6 Ų | 128.6 | 82% | 0.823 | 66% | 0.664 | S | S | * | * | trans | -73.6 | 130.6 | 174 | -77.9 | -172.6 | 177.2 | 155 | -1 | 108.2 | D4 | R2-D4 PolarHBondContact O-N 3.36Š| ||
| 3 | P | 59.1 | Low | 65.4 | Low | 98 Ų | 98 | 122.2 Ų | 122.2 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -68.3 | -13.4 | -178.2 | 25.9 | -31.8 | 0 | 0 | 0 | 113.5 | D5 | P3-D5 VanDerWaalsContact C-N 3.32Å; P3-D5 PolarHBondContact O-N 3.46Å |
| 4 | D | 56.7 | Low | 66.4 | Low | 146 Ų | 146 | 119.8 Ų | 119.8 | 78% | 0.781 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -84.3 | 1.9 | -173.7 | -53.3 | -68.4 | 0 | 0 | 0 | 115.1 | R2 | R2-D4 PolarHBondContact O-N 3.36Š|
| 5 | D | 59.8 | Low | 67.2 | Low | 140 Ų | 140 | 115.2 Ų | 115.2 | 75% | 0.749 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -107.8 | 22.2 | -178.6 | -155.2 | 18.7 | 0 | 0 | 0 | 112.5 | P3 N7 | P3-D5 VanDerWaalsContact C-N 3.32Å; P3-D5 PolarHBondContact O-N 3.46Å; D5-N7 PolarHBondContact O-N 3.26Å |
| 6 | I | 64.3 | Low | 67.7 | Low | 111 Ų | 111 | 113.9 Ų | 113.9 | 57% | 0.569 | 61% | 0.606 | S | S | * | * | trans | -79.5 | 109.5 | 175.9 | -62.7 | 174.4 | 0 | 0 | 0 | 107.8 | P8 | I6-P8 VanDerWaalsContact O-N 3.15Š| ||
| 7 | N | 69.1 | Low | 68.4 | Low | 108 Ų | 108 | 107.5 Ų | 107.5 | 58% | 0.578 | 57% | 0.572 | S | S | * | * | trans | -46.6 | 123.5 | 169.6 | -81.3 | -75.9 | 0 | 0 | 0 | 109.7 | D5 R9 T10 G11 | D5-N7 PolarHBondContact O-N 3.26Å; N7-R9 PolarHBondContact O-N 3.02Å; N7-T10 WeakPolarHBondContact O-CA 3.4Å; N7-T10 WeakPolarHBondContact O-CB 3.36Å; N7-T10 PolarHBondContact O-N 3.32Å; N7-G11 PolarHBondContact O-N 3.42Å | ||
| 8 | P | 67.3 | Low | 69.2 | Low | 106 Ų | 106 | 104.5 Ų | 104.5 | 69% | 0.688 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.8 | -26.4 | -174.6 | 21.5 | -32.9 | 0 | 0 | 0 | 112 | I6 G11 L12 | I6-P8 VanDerWaalsContact O-N 3.15Å; P8-G11 PolarHBondContact O-N 3.29Å; P8-L12 WeakPolarHBondContact O-CB 3.47Å; P8-L12 PolarHBondContact O-N 3.49Å |
| 9 | R | 67.9 | Low | 69.8 | Low | 165 Ų | 165 | 102.8 Ų | 102.8 | 62% | 0.623 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.1 | -41 | 172.2 | -65.1 | -172.9 | 177.7 | -166.2 | -0.3 | 112.9 | N7 L12 V13 | N7-R9 PolarHBondContact O-N 3.02Å; R9-L12 PolarHBondContact O-N 3.01Å; R9-V13 VanDerWaalsContact O-CG2 3.31Å; R9-V13 WeakPolarHBondContact O-CG2 3.34Å; R9-V13 PolarHBondContact O-N 2.84Å |
| 10 | T | 73 | Confident | 70.2 | Confident | 68 Ų | 68 | 102.5 Ų | 102.5 | 42% | 0.417 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.7 | -42.2 | 175.3 | -53.8 | 0 | 0 | 0 | 0 | 110.3 | N7 L12 V13 V14 | N7-T10 WeakPolarHBondContact O-CA 3.4Å; N7-T10 WeakPolarHBondContact O-CB 3.36Å; N7-T10 PolarHBondContact O-N 3.32Å; T10-L12 PolarHBondContact O-N 3.42Å; T10-V13 PolarHBondContact O-N 3.4Å; T10-V14 HydrophobicContact CG2-CG2 4.44Å; T10-V14 WeakPolarHBondContact O-CB 3.18Å; T10-V14 WeakPolarHBondContact O-CG2 3.42Å; T10-V14 PolarHBondContact O-N 3.48Å |
| 11 | G | 75.9 | Confident | 70.7 | Confident | 34 Ų | 34 | 100.9 Ų | 100.9 | 35% | 0.351 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.6 | -44 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N7 P8 V14 A15 | N7-G11 PolarHBondContact O-N 3.42Å; P8-G11 PolarHBondContact O-N 3.29Å; G11-V14 PolarHBondContact O-N 3.4Å; G11-A15 VanDerWaalsContact O-CB 3.29Å; G11-A15 WeakPolarHBondContact O-CB 3.33Å; G11-A15 PolarHBondContact O-N 2.86Å |
| 12 | L | 74.9 | Confident | 72.2 | Confident | 108 Ų | 108 | 93.5 Ų | 93.5 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.1 | -44.7 | 177.7 | -175.6 | 70.9 | 0 | 0 | 0 | 112.7 | P8 R9 T10 A15 L16 | P8-L12 WeakPolarHBondContact O-CB 3.47Å; P8-L12 PolarHBondContact O-N 3.49Å; R9-L12 PolarHBondContact O-N 3.01Å; T10-L12 PolarHBondContact O-N 3.42Å; L12-A15 PolarHBondContact O-N 3.09Å; L12-L16 HydrophobicContact CD1-CD1 4.44Å; L12-L16 HydrophobicContact CG-CD1 4.1Å; L12-L16 WeakPolarHBondContact O-CB 3.23Å; L12-L16 WeakPolarHBondContact O-CG 3.16Å; L12-L16 PolarHBondContact O-N 3.26Å |
| 13 | V | 78.3 | Confident | 73.5 | Confident | 46 Ų | 46 | 88.5 Ų | 88.5 | 28% | 0.279 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 177.7 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | R9 T10 L16 V17 I57 A60 | R9-V13 VanDerWaalsContact O-CG2 3.31Å; R9-V13 WeakPolarHBondContact O-CG2 3.34Å; R9-V13 PolarHBondContact O-N 2.84Å; T10-V13 PolarHBondContact O-N 3.4Å; V13-L16 PolarHBondContact O-N 3.43Å; V13-V17 HydrophobicContact CG1-CG2 4.16Å; V13-V17 WeakPolarHBondContact O-CB 3.14Å; V13-V17 WeakPolarHBondContact O-CG2 3.24Å; V13-V17 PolarHBondContact O-N 2.84Å; V13-I57 HydrophobicContact CG1-CG1 4.49Å; V13-A60 HydrophobicContact CG1-CB 4.43Å |
| 14 | V | 78.9 | Confident | 74.4 | Confident | 88 Ų | 88 | 83.9 Ų | 83.9 | 53% | 0.533 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | T10 G11 V17 S18 | T10-V14 HydrophobicContact CG2-CG2 4.44Å; T10-V14 WeakPolarHBondContact O-CB 3.18Å; T10-V14 WeakPolarHBondContact O-CG2 3.42Å; T10-V14 PolarHBondContact O-N 3.48Å; G11-V14 PolarHBondContact O-N 3.4Å; V14-V17 PolarHBondContact O-N 3.06Å; V14-S18 VanDerWaalsContact O-CB 3.22Å; V14-S18 WeakPolarHBondContact O-CB 3.44Å; V14-S18 PolarHBondContact O-N 3.22Å |
| 15 | A | 78.3 | Confident | 75.5 | Confident | 51 Ų | 51 | 83.6 Ų | 83.6 | 42% | 0.421 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.3 | -49.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G11 L12 V17 S18 V19 | G11-A15 VanDerWaalsContact O-CB 3.29Å; G11-A15 WeakPolarHBondContact O-CB 3.33Å; G11-A15 PolarHBondContact O-N 2.86Å; L12-A15 PolarHBondContact O-N 3.09Å; A15-V17 PolarHBondContact O-N 3.37Å; A15-S18 PolarHBondContact O-N 2.81Å; A15-S18 PolarHBondContact O-OG 3.35Å; A15-V19 PolarHBondContact O-N 2.87Å |
| 16 | L | 75.9 | Confident | 76.6 | Confident | 95 Ų | 95 | 82.5 Ų | 82.5 | 50% | 0.497 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 178.5 | -73.6 | 172.9 | 0 | 0 | 0 | 111.5 | L12 V13 S18 V19 F20 | L12-L16 HydrophobicContact CD1-CD1 4.44Å; L12-L16 HydrophobicContact CG-CD1 4.1Å; L12-L16 WeakPolarHBondContact O-CB 3.23Å; L12-L16 WeakPolarHBondContact O-CG 3.16Å; L12-L16 PolarHBondContact O-N 3.26Å; V13-L16 PolarHBondContact O-N 3.43Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 2.93Å; L16-V19 PolarHBondContact O-N 2.91Å; L16-F20 WeakPolarHBondContact O-CD2 3.33Å; L16-F20 PolarHBondContact O-N 2.67Å |
| 17 | V | 79.2 | Confident | 77.1 | Confident | 5 Ų | 5 | 80.2 Ų | 80.2 | 3% | 0.03 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -71.6 | -30.6 | -177.9 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | V13 V14 A15 V19 F20 L21 I57 | V13-V17 HydrophobicContact CG1-CG2 4.16Å; V13-V17 WeakPolarHBondContact O-CB 3.14Å; V13-V17 WeakPolarHBondContact O-CG2 3.24Å; V13-V17 PolarHBondContact O-N 2.84Å; V14-V17 PolarHBondContact O-N 3.06Å; A15-V17 PolarHBondContact O-N 3.37Å; V17-V19 VanDerWaalsContact C-N 3.27Å; V17-V19 PolarHBondContact O-N 2.87Å; V17-F20 PolarHBondContact O-N 2.9Å; V17-L21 HydrophobicContact CG1-CD1 3.79Å; V17-L21 HydrophobicContact CG1-CG 3.87Å; V17-L21 WeakPolarHBondContact O-CB 3.39Å; V17-L21 VanDerWaalsContact O-CG 3.27Å; V17-L21 WeakPolarHBondContact O-CG 3.43Å; V17-L21 PolarHBondContact O-N 3.11Å; V17-I57 HydrophobicContact CB-CD1 3.73Å; V17-I57 HydrophobicContact CB-CG1 3.95Å; V17-I57 HydrophobicContact CG1-CD1 3.24Å; V17-I57 HydrophobicContact CG1-CG1 3.74Å; V17-I57 HydrophobicContact CG2-CD1 4.06Å; V17-I57 HydrophobicContact CG2-CG1 3.67Å |
| 18 | S | 81.9 | Confident | 77.4 | Confident | 53 Ų | 53 | 77 Ų | 77 | 37% | 0.371 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.3 | -40.4 | 174.9 | 76.5 | 0 | 0 | 0 | 0 | 111.9 | V14 A15 L16 L21 V22 | V14-S18 VanDerWaalsContact O-CB 3.22Å; V14-S18 WeakPolarHBondContact O-CB 3.44Å; V14-S18 PolarHBondContact O-N 3.22Å; A15-S18 PolarHBondContact O-N 2.81Å; A15-S18 PolarHBondContact O-OG 3.35Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 2.93Å; S18-L21 PolarHBondContact O-N 2.94Å; S18-V22 WeakPolarHBondContact O-CB 3.48Å; S18-V22 VanDerWaalsContact O-CG2 3.24Å; S18-V22 WeakPolarHBondContact O-CG2 2.99Å; S18-V22 PolarHBondContact O-N 2.89Å |
| 19 | V | 80.9 | Confident | 77.9 | Confident | 72 Ų | 72 | 75.4 Ų | 75.4 | 44% | 0.436 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.9 | -47.2 | 178.1 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | A15 L16 V17 L21 V22 F23 | A15-V19 PolarHBondContact O-N 2.87Å; L16-V19 PolarHBondContact O-N 2.91Å; V17-V19 VanDerWaalsContact C-N 3.27Å; V17-V19 PolarHBondContact O-N 2.87Å; V19-L21 VanDerWaalsContact C-N 3.35Å; V19-L21 PolarHBondContact O-N 3.2Å; V19-V22 PolarHBondContact O-N 3.41Å; V19-F23 HydrophobicContact CG1-CD2 3.53Å; V19-F23 HydrophobicContact CG1-CE2 3.56Å; V19-F23 WeakPolarHBondContact O-CB 3.07Å; V19-F23 WeakPolarHBondContact O-CD2 3.13Å; V19-F23 PolarHBondContact O-N 3.07Å |
| 20 | F | 78.4 | Confident | 78.1 | Confident | 97 Ų | 97 | 69.6 Ų | 69.6 | 43% | 0.425 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65 | -35.6 | 177.8 | -68 | -68.7 | 0 | 0 | 0 | 113.4 | L16 V17 G24 I49 C50 | L16-F20 WeakPolarHBondContact O-CD2 3.33Å; L16-F20 PolarHBondContact O-N 2.67Å; V17-F20 PolarHBondContact O-N 2.9Å; F20-G24 PolarHBondContact O-N 3.39Å; F20-I49 HydrophobicContact CD1-CG2 3.92Å; F20-C50 PolarHBondContact O-SG 3.1Å; F20-C50 VanDerWaalsContact O-SG 3.4Å |
| 21 | L | 79.7 | Confident | 77.8 | Confident | 69 Ų | 69 | 66.8 Ų | 66.8 | 36% | 0.361 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70 | -42.8 | 176.3 | -71.9 | 175.2 | 0 | 0 | 0 | 111.6 | V17 S18 V19 F25 C50 I54 | V17-L21 HydrophobicContact CG1-CD1 3.79Å; V17-L21 HydrophobicContact CG1-CG 3.87Å; V17-L21 WeakPolarHBondContact O-CB 3.39Å; V17-L21 VanDerWaalsContact O-CG 3.27Å; V17-L21 WeakPolarHBondContact O-CG 3.43Å; V17-L21 PolarHBondContact O-N 3.11Å; S18-L21 PolarHBondContact O-N 2.94Å; V19-L21 VanDerWaalsContact C-N 3.35Å; V19-L21 PolarHBondContact O-N 3.2Å; L21-F25 WeakPolarHBondContact O-CB 3.22Å; L21-F25 PolarHBondContact O-N 3.31Å; L21-C50 HydrophobicContact CD2-CB 4.47Å; L21-I54 HydrophobicContact CD2-CD1 4.33Å; L21-I54 HydrophobicContact CD2-CG1 4.01Å |
| 22 | V | 82.9 | Confident | 77.4 | Confident | 85 Ų | 85 | 72.2 Ų | 72.2 | 52% | 0.515 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.7 | -50.5 | 177.2 | 170.4 | 0 | 0 | 0 | 0 | 110.3 | S18 V19 F25 M26 | S18-V22 WeakPolarHBondContact O-CB 3.48Å; S18-V22 VanDerWaalsContact O-CG2 3.24Å; S18-V22 WeakPolarHBondContact O-CG2 2.99Å; S18-V22 PolarHBondContact O-N 2.89Å; V19-V22 PolarHBondContact O-N 3.41Å; V22-F25 PolarHBondContact O-N 3.35Å; V22-M26 WeakPolarHBondContact O-CG 3.5Å; V22-M26 PolarHBondContact O-N 2.9Å |
| 23 | F | 80.3 | Confident | 77.3 | Confident | 114 Ų | 114 | 74.8 Ų | 74.8 | 50% | 0.5 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.2 | -45.9 | 179.1 | -80.2 | -64.6 | 0 | 0 | 0 | 112.2 | V19 F25 M26 F27 | V19-F23 HydrophobicContact CG1-CD2 3.53Å; V19-F23 HydrophobicContact CG1-CE2 3.56Å; V19-F23 WeakPolarHBondContact O-CB 3.07Å; V19-F23 WeakPolarHBondContact O-CD2 3.13Å; V19-F23 PolarHBondContact O-N 3.07Å; F23-F25 VanDerWaalsContact C-N 3.31Å; F23-F25 PolarHBondContact O-N 3.19Å; F23-M26 PolarHBondContact O-N 3.25Å; F23-F27 HydrophobicContact CB-CE2 4.49Å; F23-F27 WeakPolarHBondContact O-CD2 3.27Å; F23-F27 PolarHBondContact O-N 3.33Å |
| 24 | G | 78.9 | Confident | 76.5 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67 | -31.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | F20 T28 G46 C50 | F20-G24 PolarHBondContact O-N 3.39Å; G24-T28 WeakPolarHBondContact O-CB 3.39Å; G24-T28 PolarHBondContact O-N 3.34Å; G24-T28 PolarHBondContact O-OG1 2.87Å; G24-G46 WeakPolarHBondContact O-CA 2.95Å; G24-C50 WeakPolarHBondContact CA-SG 3.49Å |
| 25 | F | 79.9 | Confident | 75.8 | Confident | 140 Ų | 140 | 75 Ų | 75 | 61% | 0.614 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -65.8 | -46.8 | 169.2 | 179.5 | -103.7 | 0 | 0 | 0 | 111.6 | L21 V22 F23 F27 T28 V29 | L21-F25 WeakPolarHBondContact O-CB 3.22Å; L21-F25 PolarHBondContact O-N 3.31Å; V22-F25 PolarHBondContact O-N 3.35Å; F23-F25 VanDerWaalsContact C-N 3.31Å; F23-F25 PolarHBondContact O-N 3.19Å; F25-F27 VanDerWaalsContact C-N 3.3Å; F25-F27 PolarHBondContact O-N 2.66Å; F25-T28 PolarHBondContact O-N 3.44Å; F25-T28 VanDerWaalsContact O-N 3.09Å; F25-V29 HydrophobicContact CD1-CG2 4.08Å; F25-V29 HydrophobicContact CD2-CG2 4.15Å; F25-V29 HydrophobicContact CE1-CG2 3.66Å; F25-V29 HydrophobicContact CE2-CG2 3.72Å; F25-V29 HydrophobicContact CG-CG2 4.32Å; F25-V29 HydrophobicContact CZ-CG2 3.47Å; F25-V29 VanDerWaalsContact CZ-CG2 3.47Å; F25-V29 WeakPolarHBondContact O-CG2 3.42Å; F25-V29 PolarHBondContact O-N 3.38Å |
| 26 | M | 81.6 | Confident | 75.1 | Confident | 118 Ų | 118 | 76.6 Ų | 76.6 | 58% | 0.581 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -58.8 | -42.2 | 175.9 | -69.6 | -159.4 | 93.4 | 0 | 0 | 111.7 | V22 F23 T28 V29 S30 | V22-M26 WeakPolarHBondContact O-CG 3.5Å; V22-M26 PolarHBondContact O-N 2.9Å; F23-M26 PolarHBondContact O-N 3.25Å; M26-T28 VanDerWaalsContact C-N 3.35Å; M26-T28 PolarHBondContact O-N 3.44Å; M26-V29 PolarHBondContact O-N 3.4Å; M26-S30 WeakPolarHBondContact O-CB 3.22Å; M26-S30 PolarHBondContact O-N 3.38Å; M26-S30 PolarHBondContact O-OG 2.88Å |
| 27 | F | 76.4 | Confident | 74.2 | Confident | 62 Ų | 62 | 77.8 Ų | 77.8 | 27% | 0.272 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.8 | -35.7 | 174.6 | -79.1 | -63 | 0 | 0 | 0 | 113.2 | F23 F25 G31 L37 L42 I45 I49 | F23-F27 HydrophobicContact CB-CE2 4.49Å; F23-F27 WeakPolarHBondContact O-CD2 3.27Å; F23-F27 PolarHBondContact O-N 3.33Å; F25-F27 VanDerWaalsContact C-N 3.3Å; F25-F27 PolarHBondContact O-N 2.66Å; F27-G31 WeakPolarHBondContact O-CA 3.38Å; F27-G31 PolarHBondContact O-N 3.4Å; F27-L37 HydrophobicContact CE1-CD1 4.27Å; F27-L42 HydrophobicContact CD1-CD2 3.8Å; F27-L42 HydrophobicContact CE1-CD2 4.14Å; F27-I45 HydrophobicContact CG-CG2 4.44Å; F27-I49 HydrophobicContact CD2-CD1 3.86Å; F27-I49 HydrophobicContact CE2-CD1 4.01Å |
| 28 | T | 75.3 | Confident | 73.7 | Confident | 41 Ų | 41 | 80.5 Ų | 80.5 | 25% | 0.252 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.2 | -43.5 | 176.4 | -53.1 | 0 | 0 | 0 | 0 | 110.9 | G24 F25 M26 G31 M32 L43 | G24-T28 WeakPolarHBondContact O-CB 3.39Å; G24-T28 PolarHBondContact O-N 3.34Å; G24-T28 PolarHBondContact O-OG1 2.87Å; F25-T28 PolarHBondContact O-N 3.44Å; F25-T28 VanDerWaalsContact O-N 3.09Å; M26-T28 VanDerWaalsContact C-N 3.35Å; M26-T28 PolarHBondContact O-N 3.44Å; T28-G31 PolarHBondContact O-N 3.02Å; T28-M32 WeakPolarHBondContact O-CG 3.5Å; T28-M32 PolarHBondContact O-N 3.16Å; T28-L43 HydrophobicContact CG2-CD1 4.41Å |
| 29 | V | 76.6 | Confident | 72.8 | Confident | 72 Ų | 72 | 85.8 Ų | 85.8 | 44% | 0.436 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 177.7 | 175.7 | 0 | 0 | 0 | 0 | 111.3 | F25 M26 G31 M32 K33 | F25-V29 HydrophobicContact CD1-CG2 4.08Å; F25-V29 HydrophobicContact CD2-CG2 4.15Å; F25-V29 HydrophobicContact CE1-CG2 3.66Å; F25-V29 HydrophobicContact CE2-CG2 3.72Å; F25-V29 HydrophobicContact CG-CG2 4.32Å; F25-V29 HydrophobicContact CZ-CG2 3.47Å; F25-V29 VanDerWaalsContact CZ-CG2 3.47Å; F25-V29 WeakPolarHBondContact O-CG2 3.42Å; F25-V29 PolarHBondContact O-N 3.38Å; M26-V29 PolarHBondContact O-N 3.4Å; V29-G31 VanDerWaalsContact C-N 3.32Å; V29-M32 PolarHBondContact O-N 2.91Å; V29-K33 PolarHBondContact O-N 2.97Å |
| 30 | S | 73.2 | Confident | 71.9 | Confident | 43 Ų | 43 | 87.1 Ų | 87.1 | 30% | 0.301 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.9 | -37.6 | 171.3 | -82.2 | 0 | 0 | 0 | 0 | 112 | M26 K33 E35 | M26-S30 WeakPolarHBondContact O-CB 3.22Å; M26-S30 PolarHBondContact O-N 3.38Å; M26-S30 PolarHBondContact O-OG 2.88Å; S30-K33 WeakPolarHBondContact O-CB 3.43Å; S30-K33 PolarHBondContact O-N 3.1Å; S30-E35 PolarHBondContact O-N 2.83Å; S30-E35 PolarHBondContact OG-OE2 3.47Å |
| 31 | G | 67 | Low | 71.3 | Confident | 10 Ų | 10 | 85.8 Ų | 85.8 | 10% | 0.103 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -69.1 | -33.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F27 T28 V29 K33 G34 | F27-G31 WeakPolarHBondContact O-CA 3.38Å; F27-G31 PolarHBondContact O-N 3.4Å; T28-G31 PolarHBondContact O-N 3.02Å; V29-G31 VanDerWaalsContact C-N 3.32Å; G31-K33 PolarHBondContact O-N 2.85Å; G31-G34 PolarHBondContact O-N 2.96Å |
| 32 | M | 66.9 | Low | 70.6 | Confident | 148 Ų | 148 | 83 Ų | 83 | 73% | 0.729 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.5 | -26.9 | 173.3 | -77.3 | -179 | 67 | 0 | 0 | 112.4 | T28 V29 G34 L43 | T28-M32 WeakPolarHBondContact O-CG 3.5Å; T28-M32 PolarHBondContact O-N 3.16Å; V29-M32 PolarHBondContact O-N 2.91Å; M32-G34 PolarHBondContact O-N 3.27Å; M32-L43 HydrophobicContact CG-CD1 3.86Å |
| 33 | K | 71.9 | Confident | 69.6 | Low | 161 Ų | 161 | 83.1 Ų | 83.1 | 70% | 0.7 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -3.3 | 175.2 | -158.6 | 173.9 | 169.7 | -156.7 | 0 | 113 | V29 S30 G31 E35 | V29-K33 PolarHBondContact O-N 2.97Å; S30-K33 WeakPolarHBondContact O-CB 3.43Å; S30-K33 PolarHBondContact O-N 3.1Å; G31-K33 PolarHBondContact O-N 2.85Å; K33-E35 VanDerWaalsContact C-N 3.32Å; K33-E35 HydrophobicContact CB-CG 4.49Å; K33-E35 IonicContact NZ-OE1 3.36Å; K33-E35 PolarHBondContact NZ-OE1 3.3Å |
| 34 | G | 63.3 | Low | 69.2 | Low | 55 Ų | 55 | 80.3 Ų | 80.3 | 57% | 0.567 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 11.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G31 M32 T36 | G31-G34 PolarHBondContact O-N 2.96Å; M32-G34 PolarHBondContact O-N 3.27Å; G34-T36 PolarHBondContact O-N 3.3Å |
| 35 | E | 63 | Low | 69 | Low | 83 Ų | 83 | 82.3 Ų | 82.3 | 39% | 0.388 | 46% | 0.464 | S | S | . | . | trans | -69.7 | 119 | 173.8 | -64.3 | 173.2 | 177.1 | 0 | 0 | 107.9 | S30 K33 L42 | S30-E35 PolarHBondContact O-N 2.83Å; S30-E35 PolarHBondContact OG-OE2 3.47Å; K33-E35 VanDerWaalsContact C-N 3.32Å; K33-E35 HydrophobicContact CB-CG 4.49Å; K33-E35 IonicContact NZ-OE1 3.36Å; K33-E35 PolarHBondContact NZ-OE1 3.3Å; E35-L42 HydrophobicContact CB-CD1 4.07Å; E35-L42 WeakPolarHBondContact O-CB 3.44Å; E35-L42 WeakPolarHBondContact O-CD1 3.06Å; E35-L42 WeakPolarHBondContact O-CG 3.2Å | ||
| 36 | T | 62.7 | Low | 68.5 | Low | 85 Ų | 85 | 75.6 Ų | 75.6 | 52% | 0.521 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 127.9 | 175.4 | 63.6 | 0 | 0 | 0 | 0 | 108.9 | G34 G38 | G34-T36 PolarHBondContact O-N 3.3Å; T36-G38 VanDerWaalsContact CB-O 3.23Å; T36-G38 WeakPolarHBondContact CB-O 3.37Å; T36-G38 PolarHBondContact O-N 3.46Å; T36-G38 PolarHBondContact OG1-O 3.1Å |
| 37 | L | 58.2 | Low | 68.1 | Low | 121 Ų | 121 | 72.7 Ų | 72.7 | 63% | 0.634 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 82.3 | 163.1 | -87.8 | 173.4 | 0 | 0 | 0 | 106.8 | F27 L42 | F27-L37 HydrophobicContact CE1-CD1 4.27Å; L37-L42 HydrophobicContact CB-CD2 3.79Å; L37-L42 HydrophobicContact CB-CG 4.46Å; L37-L42 HydrophobicContact CD1-CD2 3.61Å; L37-L42 HydrophobicContact CG-CD1 4.46Å; L37-L42 HydrophobicContact CG-CD2 3.74Å; L37-L42 HydrophobicContact CG-CG 4.46Å |
| 38 | G | 69.1 | Low | 68.1 | Low | 61 Ų | 61 | 72.8 Ų | 72.8 | 63% | 0.629 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | -129.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T36 | T36-G38 VanDerWaalsContact CB-O 3.23Å; T36-G38 WeakPolarHBondContact CB-O 3.37Å; T36-G38 PolarHBondContact O-N 3.46Å; T36-G38 PolarHBondContact OG1-O 3.1Å |
| 39 | N | 62.3 | Low | 68 | Low | 165 Ų | 165 | 73.2 Ų | 73.2 | 88% | 0.882 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 5.4 | -172.3 | -151.1 | 5.9 | 0 | 0 | 0 | 113.9 | ||
| 40 | I | 61.7 | Low | 67.8 | Low | 100 Ų | 100 | 70.6 Ų | 70.6 | 51% | 0.513 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.5 | -176.9 | -56.8 | 173.6 | 0 | 0 | 0 | 108.2 | L42 I45 | I40-L42 PolarHBondContact O-N 3.42Å; I40-I45 HydrophobicContact CB-CD1 4.43Å; I40-I45 HydrophobicContact CG2-CD1 3.89Å; I40-I45 HydrophobicContact CG2-CG1 4.08Å |
| 41 | P | 66.8 | Low | 67.8 | Low | 68 Ų | 68 | 73.7 Ų | 73.7 | 44% | 0.442 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 128.2 | 178.2 | 26.2 | -32 | 0 | 0 | 0 | 109.8 | L43 A44 | P41-L43 HydrophobicContact CB-CB 4.39Å; P41-L43 PolarHBondContact O-N 3.25Å; P41-A44 HydrophobicContact CG-CB 4.11Å; P41-A44 PolarHBondContact O-N 3.4Å |
| 42 | L | 64.6 | Low | 68.1 | Low | 10 Ų | 10 | 77.1 Ų | 77.1 | 5% | 0.052 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -57.3 | -24 | 174.6 | -70.5 | -179.7 | 0 | 0 | 0 | 112.3 | F27 E35 L37 I40 A44 I45 G46 | F27-L42 HydrophobicContact CD1-CD2 3.8Å; F27-L42 HydrophobicContact CE1-CD2 4.14Å; E35-L42 HydrophobicContact CB-CD1 4.07Å; E35-L42 WeakPolarHBondContact O-CB 3.44Å; E35-L42 WeakPolarHBondContact O-CD1 3.06Å; E35-L42 WeakPolarHBondContact O-CG 3.2Å; L37-L42 HydrophobicContact CB-CD2 3.79Å; L37-L42 HydrophobicContact CB-CG 4.46Å; L37-L42 HydrophobicContact CD1-CD2 3.61Å; L37-L42 HydrophobicContact CG-CD1 4.46Å; L37-L42 HydrophobicContact CG-CD2 3.74Å; L37-L42 HydrophobicContact CG-CG 4.46Å; I40-L42 PolarHBondContact O-N 3.42Å; L42-A44 PolarHBondContact O-N 3.3Å; L42-I45 HydrophobicContact CD2-CD1 3.89Å; L42-I45 PolarHBondContact O-N 3.35Å; L42-I45 VanDerWaalsContact O-N 3.11Å; L42-G46 PolarHBondContact O-N 2.93Å; L42-G46 VanDerWaalsContact O-N 3.1Å |
| 43 | L | 62.7 | Low | 68.2 | Low | 88 Ų | 88 | 70.2 Ų | 70.2 | 46% | 0.461 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -57.6 | -33 | 171.9 | -164.6 | 80.5 | 0 | 0 | 0 | 113.2 | T28 M32 P41 P47 | T28-L43 HydrophobicContact CG2-CD1 4.41Å; M32-L43 HydrophobicContact CG-CD1 3.86Å; P41-L43 HydrophobicContact CB-CB 4.39Å; P41-L43 PolarHBondContact O-N 3.25Å; L43-P47 WeakPolarHBondContact O-CD 3.42Å; L43-P47 WeakPolarHBondContact O-CG 3.22Å |
| 44 | A | 71.1 | Confident | 68.3 | Low | 55 Ų | 55 | 66.8 Ų | 66.8 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -83.3 | -25.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P41 L42 A48 | P41-A44 HydrophobicContact CG-CB 4.11Å; P41-A44 PolarHBondContact O-N 3.4Å; L42-A44 PolarHBondContact O-N 3.3Å; A44-A48 PolarHBondContact O-N 3.47Å |
| 45 | I | 74.4 | Confident | 68.8 | Low | 42 Ų | 42 | 66.5 Ų | 66.5 | 22% | 0.215 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -77.5 | -37.5 | -177.8 | -68.8 | 164.7 | 0 | 0 | 0 | 111.2 | F27 I40 L42 A48 I49 | F27-I45 HydrophobicContact CG-CG2 4.44Å; I40-I45 HydrophobicContact CB-CD1 4.43Å; I40-I45 HydrophobicContact CG2-CD1 3.89Å; I40-I45 HydrophobicContact CG2-CG1 4.08Å; L42-I45 HydrophobicContact CD2-CD1 3.89Å; L42-I45 PolarHBondContact O-N 3.35Å; L42-I45 VanDerWaalsContact O-N 3.11Å; I45-A48 WeakPolarHBondContact O-CB 3.29Å; I45-A48 PolarHBondContact O-N 2.86Å; I45-A48 VanDerWaalsContact O-N 3.16Å; I45-I49 HydrophobicContact CG2-CD1 3.51Å; I45-I49 HydrophobicContact CG2-CG1 4.2Å; I45-I49 WeakPolarHBondContact O-CG1 3.11Å; I45-I49 PolarHBondContact O-N 3.33Å |
| 46 | G | 70.3 | Confident | 69 | Low | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -52.9 | -54.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G24 L42 A48 I49 C50 | G24-G46 WeakPolarHBondContact O-CA 2.95Å; L42-G46 PolarHBondContact O-N 2.93Å; L42-G46 VanDerWaalsContact O-N 3.1Å; G46-A48 PolarHBondContact O-N 3.46Å; G46-I49 PolarHBondContact O-N 2.87Å; G46-C50 WeakPolarHBondContact O-CB 3.35Å; G46-C50 PolarHBondContact O-N 3.33Å |
| 47 | P | 72.1 | Confident | 69.4 | Low | 57 Ų | 57 | 63.1 Ų | 63.1 | 37% | 0.37 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 174.1 | -23.8 | 33.4 | 0 | 0 | 0 | 113 | L43 I49 C50 L51 | L43-P47 WeakPolarHBondContact O-CD 3.42Å; L43-P47 WeakPolarHBondContact O-CG 3.22Å; P47-I49 PolarHBondContact O-N 3.45Å; P47-C50 PolarHBondContact O-N 3.46Å; P47-L51 HydrophobicContact CB-CD1 4.28Å; P47-L51 WeakPolarHBondContact O-CB 3.43Å; P47-L51 WeakPolarHBondContact O-CD1 3.04Å; P47-L51 WeakPolarHBondContact O-CG 3.34Å; P47-L51 PolarHBondContact O-N 3.47Å |
| 48 | A | 76.1 | Confident | 69.9 | Low | 63 Ų | 63 | 60 Ų | 60 | 52% | 0.521 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.9 | -33 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A44 I45 G46 P52 | A44-A48 PolarHBondContact O-N 3.47Å; I45-A48 WeakPolarHBondContact O-CB 3.29Å; I45-A48 PolarHBondContact O-N 2.86Å; I45-A48 VanDerWaalsContact O-N 3.16Å; G46-A48 PolarHBondContact O-N 3.46Å; A48-P52 WeakPolarHBondContact O-CD 3.13Å |
| 49 | I | 74.6 | Confident | 69.6 | Low | 50 Ų | 50 | 62 Ų | 62 | 26% | 0.256 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -85.3 | -36 | 178.1 | -62.9 | 171.7 | 0 | 0 | 0 | 111.6 | F20 F27 I45 G46 P47 | F20-I49 HydrophobicContact CD1-CG2 3.92Å; F27-I49 HydrophobicContact CD2-CD1 3.86Å; F27-I49 HydrophobicContact CE2-CD1 4.01Å; I45-I49 HydrophobicContact CG2-CD1 3.51Å; I45-I49 HydrophobicContact CG2-CG1 4.2Å; I45-I49 WeakPolarHBondContact O-CG1 3.11Å; I45-I49 PolarHBondContact O-N 3.33Å; G46-I49 PolarHBondContact O-N 2.87Å; P47-I49 PolarHBondContact O-N 3.45Å |
| 50 | C | 71.8 | Confident | 69.7 | Low | 17 Ų | 17 | 55.2 Ų | 55.2 | 12% | 0.115 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -75.9 | -35.5 | 179.3 | -80.8 | 0 | 0 | 0 | 0 | 114 | F20 L21 G24 G46 P47 G53 I54 | F20-C50 PolarHBondContact O-SG 3.1Å; F20-C50 VanDerWaalsContact O-SG 3.4Å; L21-C50 HydrophobicContact CD2-CB 4.47Å; G24-C50 WeakPolarHBondContact CA-SG 3.49Å; G46-C50 WeakPolarHBondContact O-CB 3.35Å; G46-C50 PolarHBondContact O-N 3.33Å; P47-C50 PolarHBondContact O-N 3.46Å; C50-G53 PolarHBondContact O-N 2.96Å; C50-G53 VanDerWaalsContact O-N 3.1Å; C50-I54 HydrophobicContact CB-CD1 4.39Å; C50-I54 WeakPolarHBondContact O-CG1 3.32Å; C50-I54 PolarHBondContact O-N 3.4Å |
| 51 | L | 73.7 | Confident | 69.8 | Low | 108 Ų | 108 | 60.6 Ų | 60.6 | 57% | 0.565 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.7 | -42.5 | -173.5 | -77.2 | 168.1 | 0 | 0 | 0 | 113.8 | P47 G53 I54 A55 | P47-L51 HydrophobicContact CB-CD1 4.28Å; P47-L51 WeakPolarHBondContact O-CB 3.43Å; P47-L51 WeakPolarHBondContact O-CD1 3.04Å; P47-L51 WeakPolarHBondContact O-CG 3.34Å; P47-L51 PolarHBondContact O-N 3.47Å; L51-G53 VanDerWaalsContact C-N 3.29Å; L51-G53 PolarHBondContact O-N 3.36Å; L51-I54 PolarHBondContact O-N 3.48Å; L51-A55 VanDerWaalsContact O-CB 3.31Å; L51-A55 WeakPolarHBondContact O-CB 3.44Å; L51-A55 PolarHBondContact O-N 2.91Å |
| 52 | P | 72.4 | Confident | 69.6 | Low | 82 Ų | 82 | 65.7 Ų | 65.7 | 53% | 0.532 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.4 | -38.4 | 172.9 | -25 | 34.5 | 0 | 0 | 0 | 113 | A48 A56 | A48-P52 WeakPolarHBondContact O-CD 3.13Å; P52-A56 WeakPolarHBondContact O-CB 3.31Å; P52-A56 PolarHBondContact O-N 2.89Å |
| 53 | G | 70.4 | Confident | 69.3 | Low | 3 Ų | 3 | 66.3 Ų | 66.3 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.4 | -45.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | C50 L51 A55 A56 I57 | C50-G53 PolarHBondContact O-N 2.96Å; C50-G53 VanDerWaalsContact O-N 3.1Å; L51-G53 VanDerWaalsContact C-N 3.29Å; L51-G53 PolarHBondContact O-N 3.36Å; G53-A55 VanDerWaalsContact C-N 3.34Å; G53-A55 PolarHBondContact O-N 3.38Å; G53-A56 PolarHBondContact O-N 3.04Å; G53-I57 PolarHBondContact O-N 3.39Å |
| 54 | I | 73.1 | Confident | 68.9 | Low | 89 Ų | 89 | 69.9 Ų | 69.9 | 46% | 0.456 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 176.9 | -63.3 | 169.5 | 0 | 0 | 0 | 110.7 | L21 C50 L51 I57 A58 | L21-I54 HydrophobicContact CD2-CD1 4.33Å; L21-I54 HydrophobicContact CD2-CG1 4.01Å; C50-I54 HydrophobicContact CB-CD1 4.39Å; C50-I54 WeakPolarHBondContact O-CG1 3.32Å; C50-I54 PolarHBondContact O-N 3.4Å; L51-I54 PolarHBondContact O-N 3.48Å; I54-I57 PolarHBondContact O-N 3Å; I54-A58 WeakPolarHBondContact O-CB 3.4Å; I54-A58 PolarHBondContact O-N 3.39Å |
| 55 | A | 73.1 | Confident | 68.1 | Low | 49 Ų | 49 | 68.3 Ų | 68.3 | 41% | 0.405 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | L51 G53 A58 L59 | L51-A55 VanDerWaalsContact O-CB 3.31Å; L51-A55 WeakPolarHBondContact O-CB 3.44Å; L51-A55 PolarHBondContact O-N 2.91Å; G53-A55 VanDerWaalsContact C-N 3.34Å; G53-A55 PolarHBondContact O-N 3.38Å; A55-A58 PolarHBondContact O-N 2.83Å; A55-L59 WeakPolarHBondContact O-CB 3.3Å; A55-L59 WeakPolarHBondContact O-CG 3.44Å; A55-L59 PolarHBondContact O-N 2.97Å |
| 56 | A | 69.1 | Low | 67.1 | Low | 43 Ų | 43 | 69 Ų | 69 | 36% | 0.355 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P52 G53 L59 A60 | P52-A56 WeakPolarHBondContact O-CB 3.31Å; P52-A56 PolarHBondContact O-N 2.89Å; G53-A56 PolarHBondContact O-N 3.04Å; A56-L59 PolarHBondContact O-N 3.28Å; A56-A60 VanDerWaalsContact O-CB 3.31Å; A56-A60 WeakPolarHBondContact O-CB 3.31Å; A56-A60 PolarHBondContact O-N 3.15Å |
| 57 | I | 69.9 | Low | 66.1 | Low | 55 Ų | 55 | 73.9 Ų | 73.9 | 28% | 0.282 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.5 | -47 | 173 | -66.5 | -176.5 | 0 | 0 | 0 | 110.8 | V13 V17 G53 I54 L59 A60 R61 | V13-I57 HydrophobicContact CG1-CG1 4.49Å; V17-I57 HydrophobicContact CB-CD1 3.73Å; V17-I57 HydrophobicContact CB-CG1 3.95Å; V17-I57 HydrophobicContact CG1-CD1 3.24Å; V17-I57 HydrophobicContact CG1-CG1 3.74Å; V17-I57 HydrophobicContact CG2-CD1 4.06Å; V17-I57 HydrophobicContact CG2-CG1 3.67Å; G53-I57 PolarHBondContact O-N 3.39Å; I54-I57 PolarHBondContact O-N 3Å; I57-L59 VanDerWaalsContact C-N 3.27Å; I57-L59 PolarHBondContact O-N 2.88Å; I57-A60 PolarHBondContact O-N 3.04Å; I57-R61 HydrophobicContact CG2-CG 4.15Å; I57-R61 WeakPolarHBondContact O-CB 3.31Å; I57-R61 WeakPolarHBondContact O-CG 3.34Å; I57-R61 PolarHBondContact O-N 3.34Å |
| 58 | A | 67.9 | Low | 64.7 | Low | 56 Ų | 56 | 79.2 Ų | 79.2 | 46% | 0.463 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.6 | -40.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I54 A55 K62 | I54-A58 WeakPolarHBondContact O-CB 3.4Å; I54-A58 PolarHBondContact O-N 3.39Å; A55-A58 PolarHBondContact O-N 2.83Å; A58-K62 VanDerWaalsContact O-CB 3.25Å; A58-K62 WeakPolarHBondContact O-CB 3.36Å; A58-K62 PolarHBondContact O-N 3.47Å |
| 59 | L | 63.1 | Low | 63.3 | Low | 103 Ų | 103 | 83.5 Ų | 83.5 | 54% | 0.539 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.9 | -50.7 | 172.8 | -78.1 | 166.1 | 0 | 0 | 0 | 111.2 | A55 A56 I57 R61 K62 T63 | A55-L59 WeakPolarHBondContact O-CB 3.3Å; A55-L59 WeakPolarHBondContact O-CG 3.44Å; A55-L59 PolarHBondContact O-N 2.97Å; A56-L59 PolarHBondContact O-N 3.28Å; I57-L59 VanDerWaalsContact C-N 3.27Å; I57-L59 PolarHBondContact O-N 2.88Å; L59-R61 VanDerWaalsContact C-N 3.27Å; L59-R61 PolarHBondContact O-N 3.46Å; L59-K62 CarbonylContact O-C 3.55Å; L59-K62 PolarHBondContact O-N 3.24Å; L59-T63 WeakPolarHBondContact O-CB 3.38Å; L59-T63 WeakPolarHBondContact O-CG2 3.38Å; L59-T63 PolarHBondContact O-N 2.87Å; L59-T63 PolarHBondContact O-OG1 3.45Å |
| 60 | A | 64.3 | Low | 61.8 | Low | 22 Ų | 22 | 84.2 Ų | 84.2 | 18% | 0.182 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -61 | -34.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V13 A56 I57 E64 G65 | V13-A60 HydrophobicContact CG1-CB 4.43Å; A56-A60 VanDerWaalsContact O-CB 3.31Å; A56-A60 WeakPolarHBondContact O-CB 3.31Å; A56-A60 PolarHBondContact O-N 3.15Å; I57-A60 PolarHBondContact O-N 3.04Å; A60-E64 PolarHBondContact O-N 2.91Å; A60-G65 PolarHBondContact O-N 3.44Å |
| 61 | R | 63.5 | Low | 61 | Low | 212 Ų | 212 | 91.4 Ų | 91.4 | 80% | 0.8 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -70.9 | -37.3 | 173.4 | -72.8 | -175.4 | 71.4 | -172.2 | 2 | 112.4 | I57 L59 | I57-R61 HydrophobicContact CG2-CG 4.15Å; I57-R61 WeakPolarHBondContact O-CB 3.31Å; I57-R61 WeakPolarHBondContact O-CG 3.34Å; I57-R61 PolarHBondContact O-N 3.34Å; L59-R61 VanDerWaalsContact C-N 3.27Å; L59-R61 PolarHBondContact O-N 3.46Å |
| 62 | K | 63.8 | Low | 59.7 | Low | 176 Ų | 176 | 93.1 Ų | 93.1 | 77% | 0.765 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -77.2 | -25.3 | 178.4 | -168.4 | 175.5 | 177.3 | -175.7 | 0 | 112.6 | A58 L59 | A58-K62 VanDerWaalsContact O-CB 3.25Å; A58-K62 WeakPolarHBondContact O-CB 3.36Å; A58-K62 PolarHBondContact O-N 3.47Å; L59-K62 CarbonylContact O-C 3.55Å; L59-K62 PolarHBondContact O-N 3.24Å |
| 63 | T | 57.8 | Low | 58.6 | Low | 22 Ų | 22 | 96.7 Ų | 96.7 | 14% | 0.135 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 15.2 | -175.3 | 66.3 | 0 | 0 | 0 | 0 | 114.4 | L59 G65 C66 | L59-T63 WeakPolarHBondContact O-CB 3.38Å; L59-T63 WeakPolarHBondContact O-CG2 3.38Å; L59-T63 PolarHBondContact O-N 2.87Å; L59-T63 PolarHBondContact O-OG1 3.45Å; T63-G65 VanDerWaalsContact C-N 3.3Å; T63-G65 PolarHBondContact O-N 3.06Å; T63-C66 PolarHBondContact O-N 2.83Å; T63-C66 PolarHBondContact OG1-N 3.02Å |
| 64 | E | 54 | Low | 57.5 | Low | 163 Ų | 163 | 100.6 Ų | 100.6 | 76% | 0.762 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 51.2 | -179.2 | -65.3 | -179.9 | 172.7 | 0 | 0 | 112.4 | A60 T67 | A60-E64 PolarHBondContact O-N 2.91Å; E64-T67 PolarHBondContact O-OG1 3.24Å |
| 65 | G | 54.4 | Low | 56.2 | Low | 22 Ų | 22 | 101.8 Ų | 101.8 | 23% | 0.227 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 30.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A60 T63 T67 | A60-G65 PolarHBondContact O-N 3.44Å; T63-G65 VanDerWaalsContact C-N 3.3Å; T63-G65 PolarHBondContact O-N 3.06Å; G65-T67 PolarHBondContact O-N 2.96Å |
| 66 | C | 54.3 | Low | 54.8 | Low | 58 Ų | 58 | 110.8 Ų | 110.8 | 39% | 0.392 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 31.4 | 176.8 | -65.2 | 0 | 0 | 0 | 0 | 114.9 | T63 | T63-C66 PolarHBondContact O-N 2.83Å; T63-C66 PolarHBondContact OG1-N 3.02Å |
| 67 | T | 48.4 | Very low | 53.7 | Low | 102 Ų | 102 | 112.6 Ų | 112.6 | 63% | 0.626 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -21.6 | 174.9 | 55.7 | 0 | 0 | 0 | 0 | 113 | E64 G65 | E64-T67 PolarHBondContact O-OG1 3.24Å; G65-T67 PolarHBondContact O-N 2.96Å |
| 68 | K | 43.6 | Very low | 52.4 | Low | 169 Ų | 169 | 118.8 Ų | 118.8 | 74% | 0.735 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -126.9 | 103.3 | 166.3 | -78.5 | 178.5 | 177.9 | 171.5 | 0 | 109.2 | ||
| 69 | W | 45.6 | Very low | 50.9 | Low | 153 Ų | 153 | 125.4 Ų | 125.4 | 58% | 0.58 | 59% | 0.592 | S | S | * | * | trans | -68.9 | 132.9 | 171.3 | -87.6 | 77.9 | 0 | 0 | 0 | 109.7 | E71 L74 F83 | W69-E71 PolarHBondContact O-N 2.87Å; W69-L74 HydrophobicContact CE3-CD1 4.29Å; W69-L74 HydrophobicContact CZ3-CD1 3.89Å; W69-F83 HydrophobicContact CH2-CZ 4.5Å | ||
| 70 | P | 44.5 | Very low | 50 | Low | 65 Ų | 65 | 125.7 Ų | 125.7 | 42% | 0.422 | 59% | 0.593 | S | S | . | * | trans | -72.5 | 94 | 173 | 29.2 | -31.5 | 0 | 0 | 0 | 108.5 | N72 | P70-N72 PolarHBondContact O-N 3.22Å; P70-N72 VanDerWaalsContact O-N 3.09Å | ||
| 71 | E | 53.1 | Low | 48.8 | Very low | 168 Ų | 168 | 130.5 Ų | 130.5 | 79% | 0.785 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -15.2 | -178 | -78.5 | 176.5 | 141.6 | 0 | 0 | 113.8 | W69 | W69-E71 PolarHBondContact O-N 2.87Š|
| 72 | N | 48.3 | Very low | 47.7 | Very low | 143 Ų | 143 | 125.4 Ų | 125.4 | 77% | 0.765 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | -9.8 | -167.6 | -74.1 | -29.4 | 0 | 0 | 0 | 116.8 | P70 | P70-N72 PolarHBondContact O-N 3.22Å; P70-N72 VanDerWaalsContact O-N 3.09Å |
| 73 | E | 48.4 | Very low | 46.9 | Very low | 158 Ų | 158 | 125.1 Ų | 125.1 | 74% | 0.738 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | -9.9 | -177.2 | -69 | -153.8 | 160 | 0 | 0 | 115.7 | ||
| 74 | L | 47.3 | Very low | 46 | Very low | 84 Ų | 84 | 135 Ų | 135 | 44% | 0.44 | 65% | 0.652 | S | S | . | * | trans | -99.3 | 26.3 | 178 | -68.9 | 174.3 | 0 | 0 | 0 | 113.8 | W69 W76 V77 R78 | W69-L74 HydrophobicContact CE3-CD1 4.29Å; W69-L74 HydrophobicContact CZ3-CD1 3.89Å; L74-W76 PolarHBondContact O-N 3.5Å; L74-W76 VanDerWaalsContact O-N 3.08Å; L74-V77 HydrophobicContact CB-CB 4.49Å; L74-V77 HydrophobicContact CD2-CB 4.43Å; L74-V77 HydrophobicContact CD2-CG2 3.8Å; L74-V77 PolarHBondContact O-N 2.95Å; L74-R78 PolarHBondContact O-N 3.05Å | ||
| 75 | L | 46.3 | Very low | 45.5 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 60% | 0.597 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -19.7 | 173.7 | -73.3 | 172.9 | 0 | 0 | 0 | 113 | ||
| 76 | W | 42.9 | Very low | 44.9 | Very low | 238 Ų | 238 | 140.1 Ų | 140.1 | 90% | 0.902 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -26.1 | 175.4 | -65.2 | 83.4 | 0 | 0 | 0 | 113.9 | L74 | L74-W76 PolarHBondContact O-N 3.5Å; L74-W76 VanDerWaalsContact O-N 3.08Å |
| 77 | V | 45.6 | Very low | 44.1 | Very low | 81 Ų | 81 | 146.2 Ų | 146.2 | 49% | 0.491 | 70% | 0.697 | S | S | . | * | G | 310 helix | trans | -88.3 | -14.3 | -179.1 | -177.5 | 0 | 0 | 0 | 0 | 112 | L74 K79 L80 | L74-V77 HydrophobicContact CB-CB 4.49Å; L74-V77 HydrophobicContact CD2-CB 4.43Å; L74-V77 HydrophobicContact CD2-CG2 3.8Å; L74-V77 PolarHBondContact O-N 2.95Å; V77-K79 PolarHBondContact O-N 3.29Å; V77-L80 PolarHBondContact O-N 2.87Å; V77-L80 VanDerWaalsContact O-N 3.14Å |
| 78 | R | 42.5 | Very low | 43.8 | Very low | 185 Ų | 185 | 147.6 Ų | 147.6 | 70% | 0.698 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -67.8 | -3.1 | 179.4 | -159.1 | 169.7 | 179.2 | 156.2 | -4.4 | 114.7 | L74 | L74-R78 PolarHBondContact O-N 3.05Š|
| 79 | K | 37.3 | Very low | 44 | Very low | 196 Ų | 196 | 147.7 Ų | 147.7 | 85% | 0.852 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -91.3 | 6.2 | 171.4 | -81.5 | -159.9 | 178.1 | -172.1 | 0 | 114.4 | V77 | V77-K79 PolarHBondContact O-N 3.29Š|
| 80 | L | 43.9 | Very low | 44 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 57% | 0.571 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -84.6 | 129.1 | 165.5 | -95.3 | 74.8 | 0 | 0 | 0 | 110.1 | V77 C82 | V77-L80 PolarHBondContact O-N 2.87Å; V77-L80 VanDerWaalsContact O-N 3.14Å; L80-C82 PolarHBondContact O-N 2.81Å |
| 81 | P | 39.1 | Very low | 43.8 | Very low | 122 Ų | 122 | 149.7 Ų | 149.7 | 79% | 0.792 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -0.5 | -174.8 | 27 | -33.2 | 0 | 0 | 0 | 114.4 | ||
| 82 | C | 40.1 | Very low | 43.3 | Very low | 105 Ų | 105 | 147.9 Ų | 147.9 | 71% | 0.709 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -9.8 | -171.6 | -51.2 | 0 | 0 | 0 | 0 | 114.6 | L80 R84 | L80-C82 PolarHBondContact O-N 2.81Å; C82-R84 PolarHBondContact O-N 2.86Å |
| 83 | F | 46.6 | Very low | 43.1 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 75% | 0.746 | 72% | 0.716 | S | S | * | * | trans | -100.2 | 56.2 | 178.7 | -101.4 | -91.8 | 0 | 0 | 0 | 111.8 | W69 K85 | W69-F83 HydrophobicContact CH2-CZ 4.5Å; F83-K85 PolarHBondContact O-N 3.45Å | ||
| 84 | R | 39 | Very low | 42.9 | Very low | 230 Ų | 230 | 147.9 Ų | 147.9 | 87% | 0.868 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -72 | 121.1 | 157 | -94.2 | -164.2 | 172.3 | -173.8 | 0.5 | 107.6 | C82 P86 | C82-R84 PolarHBondContact O-N 2.86Å; R84-P86 WeakPolarHBondContact O-CD 3.36Å |
| 85 | K | 44.6 | Very low | 42.8 | Very low | 178 Ų | 178 | 151.9 Ų | 151.9 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 123.4 | 175 | -65.7 | -175 | 173.3 | -169 | 0 | 110 | F83 K87 | F83-K85 PolarHBondContact O-N 3.45Å; K85-K87 PolarHBondContact O-N 3.14Å |
| 86 | P | 41 | Very low | 42.4 | Very low | 115 Ų | 115 | 156.8 Ų | 156.8 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 119.7 | 153.3 | 26.2 | -21.5 | 0 | 0 | 0 | 106.6 | R84 D88 | R84-P86 WeakPolarHBondContact O-CD 3.36Å; P86-D88 PolarHBondContact O-N 3.16Å; P86-D88 VanDerWaalsContact O-N 3.1Å |
| 87 | K | 38.3 | Very low | 42.2 | Very low | 186 Ų | 186 | 150.9 Ų | 150.9 | 81% | 0.809 | 74% | 0.74 | S | S | * | * | trans | -69.6 | 100.4 | 171.4 | -144.2 | 175.7 | -176.7 | -176.4 | 0 | 105 | K85 K89 | K85-K87 PolarHBondContact O-N 3.14Å; K87-K89 PolarHBondContact O-N 3.23Å | ||
| 88 | D | 42.5 | Very low | 41.9 | Very low | 131 Ų | 131 | 152.8 Ų | 152.8 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 75.5 | 174.1 | -105.3 | -29.2 | 0 | 0 | 0 | 109.8 | P86 | P86-D88 PolarHBondContact O-N 3.16Å; P86-D88 VanDerWaalsContact O-N 3.1Å |
| 89 | K | 47.5 | Very low | 41.7 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.3 | -6.3 | 170.3 | -74.7 | -164 | 173.5 | -163.8 | 0 | 114.3 | K87 | K87-K89 PolarHBondContact O-N 3.23Š|
| 90 | E | 45.5 | Very low | 41.9 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -126 | -8.6 | -174.1 | -68.8 | 177.4 | -172.4 | 0 | 0 | 115.1 | ||
| 91 | V | 40.4 | Very low | 41.6 | Very low | 104 Ų | 104 | 149.9 Ų | 149.9 | 63% | 0.63 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -90.6 | -9.3 | -179.4 | -175.9 | 0 | 0 | 0 | 0 | 113.2 | E93 | V91-E93 VanDerWaalsContact C-N 3.27Å; V91-E93 PolarHBondContact O-N 3.2Å |
| 92 | V | 43 | Very low | 41.4 | Very low | 130 Ų | 130 | 152.4 Ų | 152.4 | 79% | 0.788 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -80.9 | -7.5 | 173 | -177.7 | 0 | 0 | 0 | 0 | 112.1 | ||
| 93 | E | 43.1 | Very low | 41.3 | Very low | 153 Ų | 153 | 151.8 Ų | 151.8 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -93.7 | -9.5 | 177.8 | -74.9 | -170.6 | 149.1 | 0 | 0 | 114.6 | V91 | V91-E93 VanDerWaalsContact C-N 3.27Å; V91-E93 PolarHBondContact O-N 3.2Å |
| 94 | L | 45.2 | Very low | 41.4 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 3.2 | -178.6 | -80 | 166.7 | 0 | 0 | 0 | 115.3 | ||
| 95 | L | 44.5 | Very low | 41.4 | Very low | 167 Ų | 167 | 146 Ų | 146 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | 17.3 | 170.7 | -69.2 | 178.8 | 0 | 0 | 0 | 113.3 | ||
| 96 | R | 37.8 | Very low | 41.1 | Very low | 217 Ų | 217 | 141.4 Ų | 141.4 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | trans | -95.6 | 101.5 | 171.8 | -156.3 | 177.9 | -176.9 | 97.7 | 0.6 | 109.5 | ||||
| 97 | T | 38.3 | Very low | 40.8 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -51.5 | 135.7 | 161.3 | -21 | 0 | 0 | 0 | 0 | 108.4 | S99 | T97-S99 PolarHBondContact O-N 3.15Å; T97-S99 VanDerWaalsContact O-N 3.1Å | ||
| 98 | P | 40.2 | Very low | 40.8 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -69.3 | 115.1 | -178.4 | 28.8 | -31.7 | 0 | 0 | 0 | 108.2 | ||||
| 99 | S | 37.5 | Very low | 40.4 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -112.8 | 80.9 | 163.2 | -58.4 | 0 | 0 | 0 | 0 | 106.3 | T97 | T97-S99 PolarHBondContact O-N 3.15Å; T97-S99 VanDerWaalsContact O-N 3.1Å | ||
| 100 | D | 40.8 | Very low | 39.9 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -81.9 | 104.5 | 157.8 | -131.8 | -17.1 | 0 | 0 | 0 | 105.8 | ||||
| 101 | L | 37.9 | Very low | 39.5 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | 174.7 | 121.4 | 139.4 | -93.7 | 165.2 | 0 | 0 | 0 | 108.9 | ||||
| 102 | E | 34.6 | Very low | 39.2 | Very low | 175 Ų | 175 | 138.2 Ų | 138.2 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 64.5 | 110.6 | 148 | -118.4 | -154.2 | 102.5 | 0 | 0 | 118.3 | ||||
| 103 | S | 39.8 | Very low | 38.7 | Very low | 93 Ų | 93 | 142.1 Ų | 142.1 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | 161.2 | 111.5 | 94.5 | -163.8 | 0 | 0 | 0 | 0 | 107.9 | K105 | S103-K105 PolarHBondContact O-N 3.44Š| |||
| 104 | G | 46.9 | Very low | 38.3 | Very low | 79 Ų | 79 | 144.8 Ų | 144.8 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | -58.4 | 125.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 105 | K | 40.1 | Very low | 37.6 | Very low | 199 Ų | 199 | 142.3 Ų | 142.3 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | trans | -146.6 | 88.2 | 160.3 | -141.4 | 158.8 | 171.9 | 176.8 | 0 | 108.4 | S103 | S103-K105 PolarHBondContact O-N 3.44Š| ||
| 106 | G | 37.3 | Very low | 36.7 | Very low | 82 Ų | 82 | 137.7 Ų | 137.7 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -58 | 140.7 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 107 | S | 35.3 | Very low | 36.4 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -129.4 | 85.2 | 165.7 | -174.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 108 | S | 37.8 | Very low | 36 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | -78.8 | 110.2 | 164.3 | -171.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 109 | D | 34.8 | Very low | 35.4 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 81% | 0.807 | 82% | 0.82 | S | S | * | * | trans | -107.4 | 94.3 | 172.1 | -162.8 | 6.4 | 0 | 0 | 0 | 107.8 | ||||
| 110 | E | 37.2 | Very low | 35 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 74% | 0.738 | 83% | 0.826 | S | S | * | * | trans | -140.1 | 108 | 169.8 | -91.1 | -103 | 107 | 0 | 0 | 108.2 | ||||
| 111 | L | 37.9 | Very low | 34.9 | Very low | 147 Ų | 147 | 141.7 Ų | 141.7 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | trans | 49.3 | 98.3 | 141.8 | -75.1 | 159.2 | 0 | 0 | 0 | 118.4 | ||||
| 112 | A | 33 | Very low | 34.4 | Very low | 105 Ų | 105 | 142 Ų | 142 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | trans | -149.5 | 80.3 | 150.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 113 | K | 33.6 | Very low | 34.8 | Very low | 212 Ų | 212 | 138.4 Ų | 138.4 | 92% | 0.922 | 81% | 0.813 | S | S | * | * | trans | -86.1 | 130.4 | 153.1 | -112.5 | 178.6 | -176.6 | 176.3 | 0 | 107.6 | ||||
| 114 | K | 33.2 | Very low | 34.3 | Very low | 209 Ų | 209 | 143.4 Ų | 143.4 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | trans | 107.3 | 139.6 | 154.2 | -139.9 | -173.7 | -169 | -161.2 | 0 | 116.3 | ||||
| 115 | A | 31.2 | Very low | 33.3 | Very low | 97 Ų | 97 | 143.1 Ų | 143.1 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | 84.1 | 94 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 116 | G | 26.4 | Very low | 32.9 | Very low | 71 Ų | 71 | 140.2 Ų | 140.2 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | trans | -76.1 | 150.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 117 | L | 31.1 | Very low | 32.5 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | trans | 178.7 | 125.7 | 139.1 | -98.9 | 160.2 | 0 | 0 | 0 | 110.5 | ||||
| 118 | R | 29.6 | Very low | 32.2 | Very low | 243 Ų | 243 | 144 Ų | 144 | 92% | 0.917 | 83% | 0.827 | S | S | * | * | trans | 54.8 | 127 | 145.2 | -97.1 | -171.2 | 170.5 | -99.5 | 1.3 | 121.5 | ||||
| 119 | G | 26.6 | Very low | 32.1 | Very low | 78 Ų | 78 | 144.8 Ų | 144.8 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | 137.7 | 109.1 | 133.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 120 | K | 30.3 | Very low | 32.5 | Very low | 207 Ų | 207 | 143.3 Ų | 143.3 | 90% | 0.9 | 83% | 0.825 | S | S | * | * | trans | -88.2 | 177.3 | 156.4 | -88.2 | -179.3 | 174.5 | -179.4 | 0 | 109.3 | ||||
| 121 | P | 37.8 | Very low | 32.2 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 73% | 0.734 | 83% | 0.829 | S | S | * | * | cis | -141.6 | 162.8 | -24.9 | 34 | -13.6 | 0 | 0 | 0 | 117.3 | ||||
| 122 | L | 27.2 | Very low | 31.8 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | trans | 51.6 | 174.8 | 142.6 | -139.5 | 69.3 | 0 | 0 | 0 | 121.5 | ||||
| 123 | P | 43.9 | Very low | 31.6 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 64% | 0.643 | 83% | 0.825 | S | S | * | * | cis | -135 | -176.3 | -19 | 9.1 | 19.4 | 0 | 0 | 0 | 118.9 | ||||
| 124 | Q | 29.3 | Very low | 31.3 | Very low | 197 Ų | 197 | 137.1 Ų | 137.1 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | 85.2 | 136.7 | 152.1 | -83.1 | 169.7 | -4.4 | 0 | 0 | 119.3 | ||||
| 125 | G | 26.2 | Very low | 31.2 | Very low | 73 Ų | 73 | 134.1 Ų | 134.1 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | cis | -167.1 | -173.4 | 11.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 126 | P | 32.2 | Very low | 31 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 90% | 0.896 | 82% | 0.815 | S | S | * | * | trans | -108.3 | 164.1 | -157.2 | 39.6 | -31.3 | 0 | 0 | 0 | 115.6 | ||||
| 127 | G | 27.8 | Very low | 31.1 | Very low | 70 Ų | 70 | 138.4 Ų | 138.4 | 72% | 0.722 | 82% | 0.817 | S | S | * | * | trans | -177.5 | 91.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 128 | E | 29.7 | Very low | 31.5 | Very low | 206 Ų | 206 | 136 Ų | 136 | 96% | 0.963 | 81% | 0.811 | S | S | * | * | trans | 66.1 | 132.3 | 131.8 | -58.2 | 175.6 | 177.6 | 0 | 0 | 123.4 | ||||
| 129 | V | 35.6 | Very low | 31.5 | Very low | 135 Ų | 135 | 130.8 Ų | 130.8 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -111.6 | 157.1 | 172.5 | -138.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 130 | P | 42.3 | Very low | 32.4 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | -152.3 | 139 | 97.1 | 33.6 | -13.6 | 0 | 0 | 0 | 114.2 | |||||
| 131 | M | 30.9 | Very low | 32.3 | Very low | 165 Ų | 165 | 128 Ų | 128 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | 65.2 | 118.3 | 82.6 | -156.7 | 171.9 | -170.9 | 0 | 0 | 117.8 | |||||
| 132 | A | 29 | Very low | 32 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | -155.7 | 128.6 | 146.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 133 | S | 29.1 | Very low | 32.1 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -97.5 | 159.6 | -179.9 | -64.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 134 | S | 27.3 | Very low | 31.2 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | -169.7 | 141.3 | 129 | -165.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 135 | I | 30.8 | Very low | 31 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | -118.3 | 158.4 | 179.8 | -70.8 | 167.1 | 0 | 0 | 0 | 107.1 | ||||
| 136 | T | 28.4 | Very low | 31 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | 158.3 | 132.9 | 119 | -34.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 137 | T | 28.5 | Very low | 30.8 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -77.6 | -170.5 | 160.3 | 16.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 138 | P | 38.3 | Very low | 30.7 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | cis | -135.7 | -172.6 | -3 | 30.2 | -4 | 0 | 0 | 0 | 116.6 | ||||
| 139 | T | 29.4 | Very low | 30.8 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | -61.5 | -174.6 | 173.1 | 15.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 140 | P | 45.8 | Very low | 30.9 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | cis | -141.5 | -173.6 | -3 | 28.9 | -2.1 | 0 | 0 | 0 | 118 | ||||
| 141 | T | 29 | Very low | 30.3 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | trans | 118.4 | 117.7 | 136.9 | -33.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 142 | E | 30.9 | Very low | 30.5 | Very low | 167 Ų | 167 | 134.5 Ų | 134.5 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | 60.3 | 155 | 145.7 | -68.4 | -173.5 | 156.6 | 0 | 0 | 128.3 | ||||
| 143 | E | 28.8 | Very low | 30.9 | Very low | 190 Ų | 190 | 133 Ų | 133 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | 82.4 | 134 | 160 | -40.9 | -175.5 | -171.2 | 0 | 0 | 117.4 | ||||
| 144 | G | 26 | Very low | 31.2 | Very low | 72 Ų | 72 | 139.1 Ų | 139.1 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | cis | 169.6 | 161.1 | 2.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 145 | E | 25.2 | Very low | 31.8 | Very low | 204 Ų | 204 | 142 Ų | 142 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | trans | 84 | 145.1 | 155.1 | -60.9 | -169.9 | 131.4 | 0 | 0 | 125 | ||||
| 146 | C | 26.3 | Very low | 32.4 | Very low | 116 Ų | 116 | 143 Ų | 143 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | -100.8 | 165.1 | -161.5 | -54.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 147 | Q | 27.1 | Very low | 33 | Very low | 196 Ų | 196 | 143.8 Ų | 143.8 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | 165.3 | 149.3 | 146.1 | -95.7 | 166.2 | 80.7 | 0 | 0 | 108.9 | ||||
| 148 | S | 26.5 | Very low | 33.7 | Very low | 92 Ų | 92 | 142.4 Ų | 142.4 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | cis | -177.9 | 162.8 | 7 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 149 | L | 31 | Very low | 34 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | 79.7 | 91.6 | 144.5 | -98.5 | 153.1 | 0 | 0 | 0 | 121.8 | ||||
| 150 | V | 38.3 | Very low | 34.6 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | 5.6 | 126.3 | 128.3 | 179.5 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 151 | Q | 29.8 | Very low | 34.4 | Very low | 200 Ų | 200 | 148.2 Ų | 148.2 | 94% | 0.935 | 77% | 0.774 | S | S | * | * | trans | -132.6 | 81.3 | 145.3 | -142.6 | 170.5 | 23.5 | 0 | 0 | 111.1 | G153 | Q151-G153 PolarHBondContact O-N 3.47Š| ||
| 152 | S | 36 | Very low | 35.2 | Very low | 110 Ų | 110 | 149.6 Ų | 149.6 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -59.7 | 112.2 | 159.5 | 162.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 153 | G | 36.1 | Very low | 35.8 | Very low | 73 Ų | 73 | 149 Ų | 149 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | -173.3 | -4.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q151 | Q151-G153 PolarHBondContact O-N 3.47Š| ||
| 154 | R | 35 | Very low | 36.3 | Very low | 229 Ų | 229 | 142.9 Ų | 142.9 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -136.3 | 45.3 | -173.8 | -156 | -176.3 | 178.3 | -172.8 | -1.6 | 112.2 | ||
| 155 | Q | 41.2 | Very low | 36.9 | Very low | 182 Ų | 182 | 150.3 Ų | 150.3 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | -125.9 | 24.2 | -176.6 | -153 | -178.5 | 15.6 | 0 | 0 | 113.1 | ||||
| 156 | E | 42.1 | Very low | 37.4 | Very low | 166 Ų | 166 | 146.4 Ų | 146.4 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -115.9 | -17.1 | 179.9 | -154.7 | 170.4 | 170.6 | 0 | 0 | 113.9 | S159 | E156-S159 PolarHBondContact O-OG 3.26Š|
| 157 | E | 42.3 | Very low | 37.8 | Very low | 149 Ų | 149 | 147 Ų | 147 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -90.5 | -21.9 | -178.4 | -65.1 | -177.3 | 155.2 | 0 | 0 | 113.5 | ||
| 158 | T | 43 | Very low | 38.7 | Very low | 98 Ų | 98 | 144 Ų | 144 | 60% | 0.601 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -88.1 | -11.9 | -175.6 | -29.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 159 | S | 44.7 | Very low | 39.2 | Very low | 69 Ų | 69 | 142.9 Ų | 142.9 | 48% | 0.483 | 77% | 0.773 | S | S | . | * | G | 310 helix | trans | -74.3 | -24.5 | 178.9 | 54.9 | 0 | 0 | 0 | 0 | 113.2 | E156 Y161 L162 | E156-S159 PolarHBondContact O-OG 3.26Å; S159-Y161 VanDerWaalsContact C-N 3.28Å; S159-Y161 PolarHBondContact O-N 3.26Å; S159-L162 PolarHBondContact O-N 2.97Å |
| 160 | R | 42.5 | Very low | 39.4 | Very low | 201 Ų | 201 | 141.2 Ų | 141.2 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -74.8 | -12.2 | -179.2 | -72.9 | -165.4 | -74.9 | 177.6 | -5.3 | 114.9 | ||
| 161 | Y | 40.6 | Very low | 39.4 | Very low | 211 Ų | 211 | 141.2 Ų | 141.2 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -95.8 | -10 | 176.9 | -80.5 | -84 | 0 | 0 | 0 | 113.7 | S159 | S159-Y161 VanDerWaalsContact C-N 3.28Å; S159-Y161 PolarHBondContact O-N 3.26Å |
| 162 | L | 45.9 | Very low | 39.8 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -8.9 | -179.4 | -77.6 | 165.8 | 0 | 0 | 0 | 113.9 | S159 G164 | S159-L162 PolarHBondContact O-N 2.97Å; L162-G164 PolarHBondContact O-N 2.82Å |
| 163 | D | 42.9 | Very low | 40 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 4.9 | -173.3 | -146.9 | 21.1 | 0 | 0 | 0 | 114.1 | ||
| 164 | G | 40.3 | Very low | 40 | Very low | 61 Ų | 61 | 142.1 Ų | 142.1 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -12.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | L162 | L162-G164 PolarHBondContact O-N 2.82Š|
| 165 | Y | 38.3 | Very low | 40 | Very low | 228 Ų | 228 | 136.9 Ų | 136.9 | 89% | 0.894 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -146.9 | 71.3 | -172.5 | -86 | -89.2 | 0 | 0 | 0 | 113.2 | ||
| 166 | C | 35.7 | Very low | 39.8 | Very low | 122 Ų | 122 | 133 Ų | 133 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | trans | -144.8 | 124.9 | 156.5 | -93.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 167 | P | 35.4 | Very low | 40 | Very low | 128 Ų | 128 | 133 Ų | 133 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | trans | -71.8 | 132.5 | 166.4 | 30.2 | -28.5 | 0 | 0 | 0 | 108.8 | G169 | P167-G169 PolarHBondContact O-N 3.14Š| ||
| 168 | S | 45.1 | Very low | 39.4 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 94% | 0.944 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -31.9 | 121.6 | 176 | -168.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 169 | G | 36.5 | Very low | 39.2 | Very low | 67 Ų | 67 | 140.4 Ų | 140.4 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | trans | 173.4 | 73.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P167 | P167-G169 PolarHBondContact O-N 3.14Š| ||
| 170 | S | 36.1 | Very low | 39.1 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | 59.6 | 89.9 | 160.4 | -57.1 | 0 | 0 | 0 | 0 | 118 | L172 | S170-L172 PolarHBondContact O-N 3.23Š| ||
| 171 | S | 38.3 | Very low | 39 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -63.8 | 113.1 | 155.3 | 174.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 172 | L | 38.2 | Very low | 38.8 | Very low | 117 Ų | 117 | 141 Ų | 141 | 61% | 0.613 | 81% | 0.812 | S | S | * | * | trans | -128.2 | 89.3 | 160.7 | -102.3 | 166.5 | 0 | 0 | 0 | 107.8 | S170 Y174 | S170-L172 PolarHBondContact O-N 3.23Å; L172-Y174 HydrophobicContact CB-CD2 3.99Å; L172-Y174 HydrophobicContact CB-CE2 3.66Å; L172-Y174 HydrophobicContact CD1-CE2 3.79Å; L172-Y174 HydrophobicContact CD2-CD2 4.2Å; L172-Y174 HydrophobicContact CD2-CE1 4.25Å; L172-Y174 HydrophobicContact CD2-CE2 3.45Å; L172-Y174 VanDerWaalsContact CD2-CE2 3.45Å; L172-Y174 VanDerWaalsContact CD2-CZ 3.45Å; L172-Y174 WeakPolarHBondContact CD2-OH 3.42Å; L172-Y174 HydrophobicContact CG-CE2 3.79Å; L172-Y174 PolarHBondContact O-N 3.42Å; L172-Y174 VanDerWaalsContact O-N 3.1Å | ||
| 173 | A | 39.7 | Very low | 38.5 | Very low | 94 Ų | 94 | 139.4 Ų | 139.4 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | -69.4 | 96.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 174 | Y | 35.9 | Very low | 38.3 | Very low | 190 Ų | 190 | 140.4 Ų | 140.4 | 75% | 0.745 | 81% | 0.81 | S | S | * | * | trans | -92.4 | 111.9 | 165.5 | -73.5 | -76.1 | 0 | 0 | 0 | 109.2 | L172 | L172-Y174 HydrophobicContact CB-CD2 3.99Å; L172-Y174 HydrophobicContact CB-CE2 3.66Å; L172-Y174 HydrophobicContact CD1-CE2 3.79Å; L172-Y174 HydrophobicContact CD2-CD2 4.2Å; L172-Y174 HydrophobicContact CD2-CE1 4.25Å; L172-Y174 HydrophobicContact CD2-CE2 3.45Å; L172-Y174 VanDerWaalsContact CD2-CE2 3.45Å; L172-Y174 VanDerWaalsContact CD2-CZ 3.45Å; L172-Y174 WeakPolarHBondContact CD2-OH 3.42Å; L172-Y174 HydrophobicContact CG-CE2 3.79Å; L172-Y174 PolarHBondContact O-N 3.42Å; L172-Y174 VanDerWaalsContact O-N 3.1Å | ||
| 175 | S | 35.1 | Very low | 38.4 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -62.6 | 129.6 | 169.1 | -154.6 | 0 | 0 | 0 | 0 | 109 | L177 | S175-L177 PolarHBondContact O-N 3.34Š| ||
| 176 | A | 38 | Very low | 38.7 | Very low | 100 Ų | 100 | 140.5 Ų | 140.5 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -73.1 | 90.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 177 | L | 44.9 | Very low | 39.1 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | trans | -168.7 | 80.1 | 159.3 | -107 | 164.9 | 0 | 0 | 0 | 108.1 | S175 | S175-L177 PolarHBondContact O-N 3.34Š| ||
| 178 | D | 29.6 | Very low | 39.7 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | -152.5 | 135.2 | 145.9 | -144.3 | -0.5 | 0 | 0 | 0 | 112 | ||||
| 179 | R | 40.2 | Very low | 39.7 | Very low | 237 Ų | 237 | 140.5 Ų | 140.5 | 89% | 0.894 | 79% | 0.79 | S | S | * | * | trans | -74.3 | 143.7 | -177.3 | -81.4 | 171.9 | 161.2 | 143.7 | -6.6 | 110 | ||||
| 180 | A | 41.6 | Very low | 40.3 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | 152 | 137.7 | 108.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 181 | D | 40.2 | Very low | 40.8 | Very low | 160 Ų | 160 | 148.7 Ų | 148.7 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | 92.8 | 84 | 146.7 | -136.8 | 17.2 | 0 | 0 | 0 | 118.5 | ||||
| 182 | R | 36.6 | Very low | 41.3 | Very low | 238 Ų | 238 | 146 Ų | 146 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | trans | -179.8 | 161.2 | 131.1 | -104.6 | -167.2 | 171.3 | 128.3 | -0.5 | 113.6 | ||||
| 183 | P | 40.8 | Very low | 41.8 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | trans | -82.4 | 150.8 | -150.5 | 33.8 | -37.6 | 0 | 0 | 0 | 115 | ||||
| 184 | E | 38.2 | Very low | 42.5 | Very low | 176 Ų | 176 | 148.6 Ų | 148.6 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 25.8 | 116.7 | 158.5 | -71.1 | -76.6 | 98 | 0 | 0 | 118.3 | ||||
| 185 | P | 42.6 | Very low | 43.3 | Very low | 106 Ų | 106 | 144.9 Ų | 144.9 | 69% | 0.688 | 76% | 0.762 | S | S | * | * | trans | -84.2 | 131.4 | 167 | 33.1 | -27.1 | 0 | 0 | 0 | 110.6 | D187 | P185-D187 PolarHBondContact O-N 2.95Š| ||
| 186 | E | 44.6 | Very low | 44.1 | Very low | 184 Ų | 184 | 140.3 Ų | 140.3 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | -59.3 | 131.3 | 157.2 | -63.4 | -173.3 | 140.5 | 0 | 0 | 108.8 | S188 | E186-S188 PolarHBondContact O-N 3.09Å; E186-S188 PolarHBondContact O-OG 3.04Å | ||
| 187 | D | 44.4 | Very low | 45 | Very low | 159 Ų | 159 | 139.9 Ų | 139.9 | 85% | 0.85 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -39.7 | 100.5 | -176.4 | -73.7 | -46.7 | 0 | 0 | 0 | 113.2 | P185 | P185-D187 PolarHBondContact O-N 2.95Š|
| 188 | S | 47.7 | Very low | 45.6 | Very low | 74 Ų | 74 | 136 Ų | 136 | 52% | 0.517 | 69% | 0.692 | S | S | . | * | trans | -138.6 | 79.7 | 164 | 47.7 | 0 | 0 | 0 | 0 | 108.2 | E186 F190 | E186-S188 PolarHBondContact O-N 3.09Å; E186-S188 PolarHBondContact O-OG 3.04Å; S188-F190 VanDerWaalsContact C-N 3.25Å; S188-F190 VanDerWaalsContact CB-CE2 3.48Å; S188-F190 VanDerWaalsContact O-CD2 3.3Å; S188-F190 WeakPolarHBondContact O-CD2 3.35Å; S188-F190 PolarHBondContact O-N 3.04Å | ||
| 189 | I | 45.4 | Very low | 46.8 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 78% | 0.779 | 67% | 0.673 | S | S | * | * | trans | -68 | 88.4 | 172.5 | -55.6 | 172.6 | 0 | 0 | 0 | 107.2 | F191 | I189-F191 PolarHBondContact O-N 3.43Š| ||
| 190 | F | 48.7 | Very low | 47.4 | Very low | 160 Ų | 160 | 122.8 Ų | 122.8 | 70% | 0.702 | 65% | 0.645 | S | S | * | * | trans | -80.5 | 111.9 | 169.4 | -72 | -79.6 | 0 | 0 | 0 | 108.8 | S188 V192 | S188-F190 VanDerWaalsContact C-N 3.25Å; S188-F190 VanDerWaalsContact CB-CE2 3.48Å; S188-F190 VanDerWaalsContact O-CD2 3.3Å; S188-F190 WeakPolarHBondContact O-CD2 3.35Å; S188-F190 PolarHBondContact O-N 3.04Å; F190-V192 PolarHBondContact O-N 3.08Å; F190-V192 VanDerWaalsContact O-N 3.14Å | ||
| 191 | F | 45.6 | Very low | 47.8 | Very low | 197 Ų | 197 | 122.1 Ų | 122.1 | 86% | 0.864 | 64% | 0.635 | S | S | * | * | trans | -73.2 | 102.3 | 172.9 | -130.3 | -96.4 | 0 | 0 | 0 | 108.8 | I189 | I189-F191 PolarHBondContact O-N 3.43Š| ||
| 192 | V | 50.3 | Low | 48.5 | Very low | 64 Ų | 64 | 122.7 Ų | 122.7 | 39% | 0.388 | 63% | 0.626 | S | S | . | * | trans | -89.7 | 121.2 | 175.5 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | F190 Q194 S196 Y214 | F190-V192 PolarHBondContact O-N 3.08Å; F190-V192 VanDerWaalsContact O-N 3.14Å; V192-Q194 PolarHBondContact O-N 3.48Å; V192-S196 WeakPolarHBondContact CG1-OG 3.25Å; V192-Y214 HydrophobicContact CG1-CE1 4.46Å; V192-Y214 HydrophobicContact CG2-CE1 4.23Å | ||
| 193 | P | 48.8 | Very low | 49 | Very low | 65 Ų | 65 | 118.3 Ų | 118.3 | 42% | 0.422 | 61% | 0.614 | S | S | . | * | trans | -61.4 | 134.3 | 173.2 | -20.4 | 32.3 | 0 | 0 | 0 | 110.5 | D195 S196 | P193-D195 PolarHBondContact O-N 3.35Å; P193-S196 PolarHBondContact O-N 3.47Å; P193-S196 VanDerWaalsContact O-N 3.14Å; P193-S196 PolarHBondContact O-OG 3.22Å | ||
| 194 | Q | 53.3 | Low | 49.6 | Very low | 199 Ų | 199 | 122.1 Ų | 122.1 | 93% | 0.93 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -17.9 | -173.3 | -71.8 | 179.4 | 0.6 | 0 | 0 | 114.4 | V192 | V192-Q194 PolarHBondContact O-N 3.48Š|
| 195 | D | 52.3 | Low | 50.3 | Low | 113 Ų | 113 | 121.2 Ų | 121.2 | 60% | 0.604 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 20.1 | -177.5 | -55.9 | -39.4 | 0 | 0 | 0 | 114.2 | P193 | P193-D195 PolarHBondContact O-N 3.35Š|
| 196 | S | 52.6 | Low | 50.5 | Low | 22 Ų | 22 | 118.3 Ų | 118.3 | 15% | 0.154 | 61% | 0.605 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.3 | 128.8 | -177.8 | 62 | 0 | 0 | 0 | 0 | 112.7 | V192 P193 I215 | V192-S196 WeakPolarHBondContact CG1-OG 3.25Å; P193-S196 PolarHBondContact O-N 3.47Å; P193-S196 VanDerWaalsContact O-N 3.14Å; P193-S196 PolarHBondContact O-OG 3.22Å; S196-I215 WeakPolarHBondContact CA-O 3.15Å |
| 197 | I | 57.6 | Low | 50.8 | Low | 92 Ų | 92 | 115.6 Ų | 115.6 | 47% | 0.472 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.9 | 125.6 | 169.8 | -60.4 | 176.4 | 0 | 0 | 0 | 107.3 | V199 I215 | I197-V199 HydrophobicContact CG2-CG2 4.18Å; I197-I215 PolarHBondContact N-O 3.2Å; I197-I215 PolarHBondContact O-N 2.65Å; I197-I215 VanDerWaalsContact O-N 3.16Å |
| 198 | I | 57.5 | Low | 51.3 | Low | 85 Ų | 85 | 116.6 Ų | 116.6 | 44% | 0.436 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.2 | 117.1 | 175.8 | -51.6 | 177.1 | 0 | 0 | 0 | 107.9 | C212 Y214 | I198-C212 HydrophobicContact CG2-CB 4.3Å; I198-Y214 HydrophobicContact CD1-CD1 4.46Å; I198-Y214 HydrophobicContact CD1-CE1 3.88Å; I198-Y214 HydrophobicContact CG1-CD1 3.98Å; I198-Y214 HydrophobicContact CG1-CE1 3.88Å |
| 199 | V | 54.3 | Low | 51.5 | Low | 79 Ų | 79 | 115 Ų | 115 | 48% | 0.479 | 58% | 0.582 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.2 | 115.1 | 172.5 | -175.9 | 0 | 0 | 0 | 0 | 108.2 | I197 C213 I215 | I197-V199 HydrophobicContact CG2-CG2 4.18Å; V199-C213 PolarHBondContact N-O 3.19Å; V199-C213 PolarHBondContact O-N 2.95Å; V199-C213 VanDerWaalsContact O-N 3.15Å; V199-I215 HydrophobicContact CG2-CD1 4.21Å |
| 200 | C | 53.3 | Low | 51.7 | Low | 47 Ų | 47 | 117.8 Ų | 117.8 | 32% | 0.318 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.4 | 177.2 | -59.4 | 0 | 0 | 0 | 0 | 109.3 | Y202 C212 | C200-Y202 HydrophobicContact CB-CD2 4.24Å; C200-Y202 HydrophobicContact CB-CE2 3.62Å; C200-C212 PolarHBondContact SG-SG 3.19Å |
| 201 | S | 49.5 | Very low | 51.9 | Low | 81 Ų | 81 | 117.3 Ų | 117.3 | 57% | 0.566 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.7 | 121.1 | 167.7 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | ||
| 202 | Y | 54.2 | Low | 52.5 | Low | 172 Ų | 172 | 110.7 Ų | 110.7 | 68% | 0.675 | 56% | 0.555 | S | S | * | * | trans | -104 | 103.4 | 176.3 | -69 | -81.9 | 0 | 0 | 0 | 109.5 | C200 | C200-Y202 HydrophobicContact CB-CD2 4.24Å; C200-Y202 HydrophobicContact CB-CE2 3.62Å | ||
| 203 | K | 48.1 | Very low | 52.7 | Low | 147 Ų | 147 | 111.4 Ų | 111.4 | 64% | 0.639 | 56% | 0.562 | S | S | * | * | trans | -100.2 | 111.8 | 164.2 | -135.1 | -171.6 | 175.2 | -175.9 | 0 | 108.4 | N205 D209 | K203-N205 PolarHBondContact O-N 3.48Å; K203-D209 HydrophobicContact CB-CB 4.42Å; K203-D209 WeakPolarHBondContact CB-OD2 3.45Å | ||
| 204 | Q | 53.5 | Low | 53.1 | Low | 191 Ų | 191 | 114.4 Ų | 114.4 | 89% | 0.893 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -5.9 | -174.3 | -80.4 | 168.5 | -10.4 | 0 | 0 | 115 | ||
| 205 | N | 51.8 | Low | 53.4 | Low | 157 Ų | 157 | 109.5 Ų | 109.5 | 84% | 0.84 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.6 | 24.3 | -170 | -73.8 | 10.6 | 0 | 0 | 0 | 115.4 | K203 | K203-N205 PolarHBondContact O-N 3.48Š|
| 206 | S | 48 | Very low | 53.1 | Low | 45 Ų | 45 | 107.5 Ų | 107.5 | 32% | 0.315 | 53% | 0.534 | S | S | . | . | trans | -119.7 | 134.7 | 174.6 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | Y208 D209 | S206-Y208 PolarHBondContact O-N 3.31Å; S206-Y208 PolarHBondContact OG-N 3.49Å; S206-Y208 PolarHBondContact OG-O 3.42Å; S206-D209 WeakPolarHBondContact CB-OD2 3.36Å | ||
| 207 | P | 50.4 | Low | 53.1 | Low | 127 Ų | 127 | 112.5 Ų | 112.5 | 83% | 0.825 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -70.4 | -6.2 | 173.8 | 29.6 | -33.5 | 0 | 0 | 0 | 113.1 | ||
| 208 | Y | 55.2 | Low | 52.8 | Low | 179 Ų | 179 | 112.8 Ų | 112.8 | 70% | 0.702 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -122.5 | 87.9 | 167.5 | -59.8 | -86.4 | 0 | 0 | 0 | 107.7 | S206 | S206-Y208 PolarHBondContact O-N 3.31Å; S206-Y208 PolarHBondContact OG-N 3.49Å; S206-Y208 PolarHBondContact OG-O 3.42Å |
| 209 | D | 50.6 | Low | 52.4 | Low | 42 Ų | 42 | 117.2 Ų | 117.2 | 23% | 0.225 | 58% | 0.584 | C | S | . | * | trans | -157.9 | 88.2 | 173.2 | -112.2 | -34.4 | 0 | 0 | 0 | 113.3 | K203 S206 | K203-D209 HydrophobicContact CB-CB 4.42Å; K203-D209 WeakPolarHBondContact CB-OD2 3.45Å; S206-D209 WeakPolarHBondContact CB-OD2 3.36Å | ||
| 210 | R | 50.8 | Low | 52.2 | Low | 210 Ų | 210 | 116.2 Ų | 116.2 | 79% | 0.792 | 59% | 0.59 | S | S | * | * | trans | -148 | 98.1 | 138.3 | -59.6 | -172.5 | -152.3 | 166.8 | 9.7 | 107.4 | ||||
| 211 | Y | 53.4 | Low | 51.8 | Low | 149 Ų | 149 | 123.8 Ų | 123.8 | 58% | 0.584 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.5 | 110.2 | 167.8 | -62.3 | -82 | 0 | 0 | 0 | 107.5 | ||
| 212 | C | 56.7 | Low | 52 | Low | 59 Ų | 59 | 130.5 Ų | 130.5 | 40% | 0.399 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.2 | 111.6 | 170.2 | -56.9 | 0 | 0 | 0 | 0 | 107.2 | I198 C200 | I198-C212 HydrophobicContact CG2-CB 4.3Å; C200-C212 PolarHBondContact SG-SG 3.19Å |
| 213 | C | 54.1 | Low | 51.5 | Low | 78 Ų | 78 | 127 Ų | 127 | 53% | 0.527 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.5 | 125.9 | 173.8 | -66.3 | 0 | 0 | 0 | 0 | 108.9 | V199 | V199-C213 PolarHBondContact N-O 3.19Å; V199-C213 PolarHBondContact O-N 2.95Å; V199-C213 VanDerWaalsContact O-N 3.15Å |
| 214 | Y | 57.2 | Low | 51.4 | Low | 129 Ų | 129 | 128.5 Ų | 128.5 | 51% | 0.506 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.1 | 112.3 | 172.5 | -63.8 | -87.4 | 0 | 0 | 0 | 108.6 | V192 I198 | V192-Y214 HydrophobicContact CG1-CE1 4.46Å; V192-Y214 HydrophobicContact CG2-CE1 4.23Å; I198-Y214 HydrophobicContact CD1-CD1 4.46Å; I198-Y214 HydrophobicContact CD1-CE1 3.88Å; I198-Y214 HydrophobicContact CG1-CD1 3.98Å; I198-Y214 HydrophobicContact CG1-CE1 3.88Å |
| 215 | I | 60.7 | Low | 51.2 | Low | 95 Ų | 95 | 127.3 Ų | 127.3 | 49% | 0.487 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.7 | 112.7 | 174.7 | -57.6 | 176.3 | 0 | 0 | 0 | 107.6 | S196 I197 V199 | S196-I215 WeakPolarHBondContact CA-O 3.15Å; I197-I215 PolarHBondContact N-O 3.2Å; I197-I215 PolarHBondContact O-N 2.65Å; I197-I215 VanDerWaalsContact O-N 3.16Å; V199-I215 HydrophobicContact CG2-CD1 4.21Å |
| 216 | N | 45.9 | Very low | 50.5 | Low | 72 Ų | 72 | 126.7 Ų | 126.7 | 39% | 0.385 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.8 | 113.8 | 174.1 | -167.5 | -25.4 | 0 | 0 | 0 | 109.2 | S218 Q219 | N216-S218 VanDerWaalsContact CG-OG 3.27Å; N216-S218 PolarHBondContact O-N 2.93Å; N216-S218 WeakPolarHBondContact OD1-CB 3.4Å; N216-S218 PolarHBondContact OD1-N 3.09Å; N216-S218 PolarHBondContact OD1-OG 3.1Å; N216-Q219 PolarHBondContact O-N 2.78Å |
| 217 | Q | 53.2 | Low | 50 | Low | 126 Ų | 126 | 131.4 Ų | 131.4 | 59% | 0.589 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -66.9 | -16.3 | -177.3 | -70.2 | -172.1 | 15.5 | 0 | 0 | 113.7 | Q219 G220 | Q217-Q219 PolarHBondContact O-N 3.1Å; Q217-G220 PolarHBondContact O-N 3.14Å |
| 218 | S | 51.3 | Low | 49.4 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 69% | 0.692 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -70.6 | -9.9 | -178.8 | 64.5 | 0 | 0 | 0 | 0 | 114.6 | N216 | N216-S218 VanDerWaalsContact CG-OG 3.27Å; N216-S218 PolarHBondContact O-N 2.93Å; N216-S218 WeakPolarHBondContact OD1-CB 3.4Å; N216-S218 PolarHBondContact OD1-N 3.09Å; N216-S218 PolarHBondContact OD1-OG 3.1Å |
| 219 | Q | 48.9 | Very low | 49.1 | Very low | 177 Ų | 177 | 133.2 Ų | 133.2 | 83% | 0.827 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -108.2 | 17.7 | -177.9 | -140.6 | 172.3 | 55.4 | 0 | 0 | 113.7 | N216 Q217 R221 | N216-Q219 PolarHBondContact O-N 2.78Å; Q217-Q219 PolarHBondContact O-N 3.1Å; Q219-R221 PolarHBondContact O-N 3.36Å |
| 220 | G | 49.9 | Very low | 49 | Very low | 58 Ų | 58 | 137.9 Ų | 137.9 | 60% | 0.598 | 69% | 0.686 | S | S | * | * | trans | -89 | 47.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q217 | Q217-G220 PolarHBondContact O-N 3.14Š| ||
| 221 | R | 43.7 | Very low | 48.9 | Very low | 206 Ų | 206 | 133.9 Ų | 133.9 | 78% | 0.777 | 68% | 0.68 | S | S | * | * | trans | -108 | 81.5 | 165.4 | -134 | -179.6 | 86.4 | -145.6 | 2.8 | 108.9 | Q219 D223 | Q219-R221 PolarHBondContact O-N 3.36Å; R221-D223 IonicContact CZ-OD2 3.13Å; R221-D223 IonicContact NE-OD1 3.81Å; R221-D223 IonicContact NE-OD2 2.72Å; R221-D223 PolarHBondContact NE-OD2 2.7Å; R221-D223 IonicContact NH2-OD2 2.7Å; R221-D223 PolarHBondContact NH2-OD2 2.72Å; R221-D223 PolarHBondContact O-N 3.44Å | ||
| 222 | W | 54.3 | Low | 48.7 | Very low | 222 Ų | 222 | 133.1 Ų | 133.1 | 84% | 0.841 | 69% | 0.686 | S | S | * | * | trans | -74.1 | 70 | 171.5 | -65.4 | 94.9 | 0 | 0 | 0 | 109.6 | H224 | W222-H224 VanDerWaalsContact C-N 3.28Å; W222-H224 PolarHBondContact O-N 3.29Å; W222-H224 VanDerWaalsContact O-N 3.09Å | ||
| 223 | D | 44.7 | Very low | 48.2 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 54% | 0.535 | 70% | 0.703 | S | S | . | * | trans | -82.5 | 80.9 | 169.5 | -70.3 | -7.8 | 0 | 0 | 0 | 108.6 | R221 | R221-D223 IonicContact CZ-OD2 3.13Å; R221-D223 IonicContact NE-OD1 3.81Å; R221-D223 IonicContact NE-OD2 2.72Å; R221-D223 PolarHBondContact NE-OD2 2.7Å; R221-D223 IonicContact NH2-OD2 2.7Å; R221-D223 PolarHBondContact NH2-OD2 2.72Å; R221-D223 PolarHBondContact O-N 3.44Å | ||
| 224 | H | 45.6 | Very low | 47.8 | Very low | 177 Ų | 177 | 141.7 Ų | 141.7 | 82% | 0.819 | 72% | 0.715 | S | S | * | * | trans | -115.8 | 82.3 | 160.4 | -75.5 | -23.7 | 0 | 0 | 0 | 108.9 | W222 | W222-H224 VanDerWaalsContact C-N 3.28Å; W222-H224 PolarHBondContact O-N 3.29Å; W222-H224 VanDerWaalsContact O-N 3.09Å | ||
| 225 | E | 48.3 | Very low | 47.1 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | trans | -129 | 108 | 156 | -170.4 | 173.3 | -164.1 | 0 | 0 | 108.5 | ||||
| 226 | T | 37.1 | Very low | 46.1 | Very low | 145 Ų | 145 | 146.2 Ų | 146.2 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | trans | -144.5 | 91 | 147.8 | -35.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 227 | I | 38.7 | Very low | 46.1 | Very low | 143 Ų | 143 | 152.4 Ų | 152.4 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -85.8 | 128 | 153.9 | -63 | 171 | 0 | 0 | 0 | 105.8 | ||||
| 228 | V | 37.3 | Very low | 45.4 | Very low | 210 Ų | 210 | 154.8 Ų | 154.8 | 100% | 1.273 | 80% | 0.796 | S | S | * | * | trans | 175.8 | 0 | 135 | 161.8 | 0 | 0 | 0 | 0 | 107.4 |
Retrieved 228 of 228 residues in 32.2 ms
(Link to these results)