| 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 | 51.7 | Low | 84.2 | Confident | 227 Ų | 227 | 107 Ų | 107 | 100% | 1.118 | 54% | 0.54 | S | S | * | . | 0 | 130.6 | 0 | -161.4 | 157 | -176.9 | 0 | 0 | 107 | K3 | M1-K3 PolarHBondContact O-N 3.48Š| |||
| 2 | A | 58.3 | Low | 85.3 | Confident | 72 Ų | 72 | 100.5 Ų | 100.5 | 60% | 0.595 | 50% | 0.504 | S | S | * | . | trans | -55 | 127.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q4 | A2-Q4 PolarHBondContact O-N 3.41Š| ||
| 3 | K | 70.8 | Confident | 86.2 | Confident | 210 Ų | 210 | 104.3 Ų | 104.3 | 91% | 0.913 | 51% | 0.509 | S | S | * | . | trans | -84.5 | 5.8 | -179.3 | -65.8 | -176.8 | 176.9 | -180 | 0 | 112.7 | M1 | M1-K3 PolarHBondContact O-N 3.48Š| ||
| 4 | Q | 84.8 | Confident | 87 | Confident | 115 Ų | 115 | 99.4 Ų | 99.4 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 133.3 | -176.4 | -171.4 | 169.6 | -18.3 | 0 | 0 | 110.1 | A2 L39 | A2-Q4 PolarHBondContact O-N 3.41Å; Q4-L39 HydrophobicContact CG-CD2 4.36Å |
| 5 | V | 89.8 | Confident | 87.6 | Confident | 132 Ų | 132 | 92.8 Ų | 92.8 | 80% | 0.8 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 132.3 | 173.1 | -180 | 0 | 0 | 0 | 0 | 108.3 | ||
| 6 | L | 92 | Very high | 88.1 | Confident | 51 Ų | 51 | 88.8 Ų | 88.8 | 27% | 0.267 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 116.8 | 177.2 | 179.7 | 63.8 | 0 | 0 | 0 | 109.3 | L8 L11 L37 L50 Q53 | L6-L8 HydrophobicContact CD2-CD2 4.22Å; L6-L8 HydrophobicContact CG-CD2 4.38Å; L6-L8 PolarHBondContact O-N 3.3Å; L6-L11 HydrophobicContact CD1-CD2 4.41Å; L6-L11 HydrophobicContact CD2-CD2 4.03Å; L6-L11 HydrophobicContact CG-CD2 4.4Å; L6-L37 HydrophobicContact CD1-CD1 3.97Å; L6-L50 HydrophobicContact CD1-CD2 3.68Å; L6-L50 HydrophobicContact CD2-CD2 4.32Å; L6-Q53 HydrophobicContact CD2-CB 3.89Å; L6-Q53 HydrophobicContact CD2-CG 4.04Å |
| 7 | D | 94.6 | Very high | 88.6 | Confident | 81 Ų | 81 | 88.8 Ų | 88.8 | 43% | 0.433 | 45% | 0.447 | S | S | . | . | trans | -72.7 | 109.2 | 171.7 | -168.7 | -33.6 | 0 | 0 | 0 | 109.8 | Y9 E10 L11 | D7-Y9 WeakPolarHBondContact OD1-CB 2.85Å; D7-Y9 PolarHBondContact OD1-N 3.43Å; D7-E10 HydrophobicContact CB-CB 4.01Å; D7-E10 PolarHBondContact OD1-N 2.64Å; D7-L11 VanDerWaalsContact O-CB 3.24Å; D7-L11 WeakPolarHBondContact O-CB 3.19Å; D7-L11 PolarHBondContact O-N 3.17Å; D7-L11 VanDerWaalsContact O-N 3.14Å | ||
| 8 | L | 95.6 | Very high | 89 | Confident | 67 Ų | 67 | 86.7 Ų | 86.7 | 35% | 0.351 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -72.5 | -30.1 | -179.4 | -64.9 | -178.3 | 0 | 0 | 0 | 112.7 | L6 Y12 L58 | L6-L8 HydrophobicContact CD2-CD2 4.22Å; L6-L8 HydrophobicContact CG-CD2 4.38Å; L6-L8 PolarHBondContact O-N 3.3Å; L8-Y12 WeakPolarHBondContact O-CB 3.41Å; L8-Y12 PolarHBondContact O-N 3.4Å; L8-L58 HydrophobicContact CB-CD2 4.43Å; L8-L58 HydrophobicContact CD2-CD1 4.45Å |
| 9 | Y | 96.1 | Very high | 89.3 | Confident | 153 Ų | 153 | 83.6 Ų | 83.6 | 60% | 0.6 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -72.2 | -46.5 | -179.8 | 174.4 | -106.3 | 0 | 0 | 0 | 110.5 | D7 L11 Y12 R13 | D7-Y9 WeakPolarHBondContact OD1-CB 2.85Å; D7-Y9 PolarHBondContact OD1-N 3.43Å; Y9-L11 VanDerWaalsContact C-N 3.33Å; Y9-L11 PolarHBondContact O-N 3.05Å; Y9-Y12 PolarHBondContact O-N 2.98Å; Y9-R13 HydrophobicContact CE1-CG 4.43Å; Y9-R13 HydrophobicContact CE2-CG 4.29Å; Y9-R13 VanDerWaalsContact CZ-CD 3.4Å; Y9-R13 WeakPolarHBondContact O-CG 3.32Å; Y9-R13 PolarHBondContact O-N 2.92Å; Y9-R13 WeakPolarHBondContact OH-CD 3.48Å |
| 10 | E | 96 | Very high | 89.6 | Confident | 69 Ų | 69 | 79.5 Ų | 79.5 | 32% | 0.322 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 177.9 | -151.3 | 176.4 | -140 | 0 | 0 | 110.9 | D7 R13 L14 L37 H38 | D7-E10 HydrophobicContact CB-CB 4.01Å; D7-E10 PolarHBondContact OD1-N 2.64Å; E10-R13 PolarHBondContact O-N 3.13Å; E10-L14 HydrophobicContact CG-CD1 4.49Å; E10-L14 WeakPolarHBondContact O-CB 3.48Å; E10-L14 VanDerWaalsContact O-CG 3.28Å; E10-L14 WeakPolarHBondContact O-CG 3.42Å; E10-L14 PolarHBondContact O-N 3.13Å; E10-L37 HydrophobicContact CB-CD2 3.94Å; E10-L37 HydrophobicContact CG-CD2 4.25Å; E10-H38 IonicContact OE1-CE1 3.54Å |
| 11 | L | 96.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 173.6 | 173.6 | 62.9 | 0 | 0 | 0 | 112.3 | L6 D7 Y9 L14 V15 I33 L37 L50 Y54 L58 | L6-L11 HydrophobicContact CD1-CD2 4.41Å; L6-L11 HydrophobicContact CD2-CD2 4.03Å; L6-L11 HydrophobicContact CG-CD2 4.4Å; D7-L11 VanDerWaalsContact O-CB 3.24Å; D7-L11 WeakPolarHBondContact O-CB 3.19Å; D7-L11 PolarHBondContact O-N 3.17Å; D7-L11 VanDerWaalsContact O-N 3.14Å; Y9-L11 VanDerWaalsContact C-N 3.33Å; Y9-L11 PolarHBondContact O-N 3.05Å; L11-L14 PolarHBondContact O-N 3.06Å; L11-V15 HydrophobicContact CD1-CG2 3.88Å; L11-V15 WeakPolarHBondContact O-CG2 3.5Å; L11-V15 PolarHBondContact O-N 3.09Å; L11-I33 HydrophobicContact CD1-CG2 3.78Å; L11-L37 HydrophobicContact CB-CD1 4.4Å; L11-L37 HydrophobicContact CB-CD2 4.14Å; L11-L37 HydrophobicContact CD1-CD1 4.06Å; L11-L50 HydrophobicContact CD1-CD2 4.35Å; L11-Y54 HydrophobicContact CD1-CD2 4.14Å; L11-Y54 HydrophobicContact CD2-CD2 3.98Å; L11-Y54 HydrophobicContact CG-CD2 3.79Å; L11-Y54 HydrophobicContact CG-CE2 4.33Å; L11-L58 HydrophobicContact CB-CD1 4.44Å; L11-L58 HydrophobicContact CD2-CD1 3.96Å; L11-L58 HydrophobicContact CG-CD1 4.06Å |
| 12 | Y | 97.2 | Very high | 92.1 | Very high | 29 Ų | 29 | 65 Ų | 65 | 11% | 0.114 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.6 | -50.9 | 177.6 | 176.5 | -104.7 | 0 | 0 | 0 | 111.3 | L8 Y9 L14 V15 V16 L58 Y61 E62 | L8-Y12 WeakPolarHBondContact O-CB 3.41Å; L8-Y12 PolarHBondContact O-N 3.4Å; Y9-Y12 PolarHBondContact O-N 2.98Å; Y12-L14 VanDerWaalsContact C-N 3.33Å; Y12-L14 PolarHBondContact O-N 2.98Å; Y12-V15 PolarHBondContact O-N 3.08Å; Y12-V16 HydrophobicContact CD1-CG2 4.44Å; Y12-V16 HydrophobicContact CD2-CG2 3.91Å; Y12-V16 HydrophobicContact CE1-CG2 4.08Å; Y12-V16 HydrophobicContact CE2-CG2 3.51Å; Y12-V16 HydrophobicContact CG-CG2 4.37Å; Y12-V16 WeakPolarHBondContact O-CB 3.35Å; Y12-V16 WeakPolarHBondContact O-CG2 3.4Å; Y12-V16 PolarHBondContact O-N 2.86Å; Y12-L58 HydrophobicContact CD2-CD2 4.44Å; Y12-Y61 HydrophobicContact CD2-CD1 4.26Å; Y12-Y61 HydrophobicContact CE1-CD1 4.42Å; Y12-Y61 AromaticContact CE1-CE1 3.98Å; Y12-Y61 HydrophobicContact CE1-CE1 3.98Å; Y12-Y61 AromaticContact CE2-CD1 3.64Å; Y12-Y61 HydrophobicContact CE2-CD1 3.64Å; Y12-Y61 HydrophobicContact CE2-CE1 4.02Å; Y12-Y61 AromaticContact CZ-CD1 3.74Å; Y12-Y61 AromaticContact CZ-CE1 3.62Å; Y12-E62 HydrophobicContact CE2-CB 4.22Å |
| 13 | R | 96.8 | Very high | 93.9 | Very high | 150 Ų | 150 | 64.3 Ų | 64.3 | 57% | 0.566 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -58.7 | -44.4 | -180 | -75 | -172.4 | 63.9 | -160 | -0.3 | 112.4 | Y9 E10 S17 | Y9-R13 HydrophobicContact CE1-CG 4.43Å; Y9-R13 HydrophobicContact CE2-CG 4.29Å; Y9-R13 VanDerWaalsContact CZ-CD 3.4Å; Y9-R13 WeakPolarHBondContact O-CG 3.32Å; Y9-R13 PolarHBondContact O-N 2.92Å; Y9-R13 WeakPolarHBondContact OH-CD 3.48Å; E10-R13 PolarHBondContact O-N 3.13Å; R13-S17 VanDerWaalsContact O-CB 3.29Å; R13-S17 WeakPolarHBondContact O-CB 3.45Å; R13-S17 PolarHBondContact O-N 3.28Å; R13-S17 PolarHBondContact O-OG 3.09Å |
| 14 | L | 96.8 | Very high | 95.1 | Very high | 36 Ų | 36 | 54.3 Ų | 54.3 | 19% | 0.188 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 178 | -72.3 | 166.9 | 0 | 0 | 0 | 111.3 | E10 L11 Y12 S17 H18 I33 L37 | E10-L14 HydrophobicContact CG-CD1 4.49Å; E10-L14 WeakPolarHBondContact O-CB 3.48Å; E10-L14 VanDerWaalsContact O-CG 3.28Å; E10-L14 WeakPolarHBondContact O-CG 3.42Å; E10-L14 PolarHBondContact O-N 3.13Å; L11-L14 PolarHBondContact O-N 3.06Å; Y12-L14 VanDerWaalsContact C-N 3.33Å; Y12-L14 PolarHBondContact O-N 2.98Å; L14-S17 PolarHBondContact O-N 3.19Å; L14-S17 PolarHBondContact O-OG 2.87Å; L14-H18 PolarHBondContact O-N 3.37Å; L14-H18 PolarHBondContact O-ND1 3.48Å; L14-I33 HydrophobicContact CB-CD1 4.02Å; L14-L37 HydrophobicContact CD1-CD2 3.87Å; L14-L37 HydrophobicContact CD1-CG 3.9Å |
| 15 | V | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67 | -43.1 | -178.6 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | L11 Y12 S17 H18 G19 G20 L21 V24 I33 Y54 | L11-V15 HydrophobicContact CD1-CG2 3.88Å; L11-V15 WeakPolarHBondContact O-CG2 3.5Å; L11-V15 PolarHBondContact O-N 3.09Å; Y12-V15 PolarHBondContact O-N 3.08Å; V15-S17 PolarHBondContact O-N 3.31Å; V15-H18 PolarHBondContact O-N 3.23Å; V15-H18 VanDerWaalsContact O-N 3.16Å; V15-G19 PolarHBondContact O-N 3.45Å; V15-G20 VanDerWaalsContact CG1-C 3.47Å; V15-G20 PolarHBondContact O-N 3.4Å; V15-L21 HydrophobicContact CG1-CB 4.37Å; V15-V24 HydrophobicContact CG1-CG2 4.12Å; V15-I33 HydrophobicContact CG2-CD1 4.18Å; V15-I33 HydrophobicContact CG2-CG2 4.48Å; V15-Y54 HydrophobicContact CB-CD2 4.14Å; V15-Y54 HydrophobicContact CB-CE2 3.42Å; V15-Y54 VanDerWaalsContact CB-CE2 3.42Å; V15-Y54 HydrophobicContact CG1-CD2 4.28Å; V15-Y54 HydrophobicContact CG1-CE1 4.2Å; V15-Y54 HydrophobicContact CG1-CE2 3.6Å; V15-Y54 WeakPolarHBondContact CG1-OH 3.32Å; V15-Y54 HydrophobicContact CG2-CD2 3.75Å; V15-Y54 HydrophobicContact CG2-CE2 3.56Å |
| 16 | V | 95.9 | Very high | 95.8 | Very high | 28 Ų | 28 | 46.8 Ų | 46.8 | 17% | 0.17 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -39.6 | 177.1 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | Y12 H18 G19 E62 E66 L68 | Y12-V16 HydrophobicContact CD1-CG2 4.44Å; Y12-V16 HydrophobicContact CD2-CG2 3.91Å; Y12-V16 HydrophobicContact CE1-CG2 4.08Å; Y12-V16 HydrophobicContact CE2-CG2 3.51Å; Y12-V16 HydrophobicContact CG-CG2 4.37Å; Y12-V16 WeakPolarHBondContact O-CB 3.35Å; Y12-V16 WeakPolarHBondContact O-CG2 3.4Å; Y12-V16 PolarHBondContact O-N 2.86Å; V16-H18 PolarHBondContact O-N 3.5Å; V16-G19 PolarHBondContact O-N 3.05Å; V16-E62 HydrophobicContact CG2-CG 4.48Å; V16-E66 HydrophobicContact CG1-CG 3.96Å; V16-E66 HydrophobicContact CG2-CG 4.43Å; V16-L68 HydrophobicContact CG1-CD1 4.21Å |
| 17 | S | 96 | Very high | 96 | Very high | 89 Ų | 89 | 50.3 Ų | 50.3 | 62% | 0.622 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.8 | -24.1 | 176.8 | 75.4 | 0 | 0 | 0 | 0 | 113.3 | R13 L14 V15 | R13-S17 VanDerWaalsContact O-CB 3.29Å; R13-S17 WeakPolarHBondContact O-CB 3.45Å; R13-S17 PolarHBondContact O-N 3.28Å; R13-S17 PolarHBondContact O-OG 3.09Å; L14-S17 PolarHBondContact O-N 3.19Å; L14-S17 PolarHBondContact O-OG 2.87Å; V15-S17 PolarHBondContact O-N 3.31Å |
| 18 | H | 95.5 | Very high | 96 | Very high | 51 Ų | 51 | 51.8 Ų | 51.8 | 24% | 0.236 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 5.4 | 175.7 | -66.1 | 81.9 | 0 | 0 | 0 | 113.4 | L14 V15 V16 E23 V24 L29 E32 | L14-H18 PolarHBondContact O-N 3.37Å; L14-H18 PolarHBondContact O-ND1 3.48Å; V15-H18 PolarHBondContact O-N 3.23Å; V15-H18 VanDerWaalsContact O-N 3.16Å; V16-H18 PolarHBondContact O-N 3.5Å; H18-E23 WeakPolarHBondContact O-CG 3.29Å; H18-V24 HydrophobicContact CB-CG2 3.85Å; H18-L29 HydrophobicContact CB-CD1 4.1Å; H18-E32 IonicContact CD2-OE2 3.94Å; H18-E32 IonicContact NE2-OE2 2.64Å; H18-E32 PolarHBondContact NE2-OE2 3.35Å |
| 19 | G | 94.6 | Very high | 95.9 | Very high | 29 Ų | 29 | 50.1 Ų | 50.1 | 30% | 0.299 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.6 | 16 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | V15 V16 | V15-G19 PolarHBondContact O-N 3.45Å; V16-G19 PolarHBondContact O-N 3.05Å |
| 20 | G | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | 98.3 | 175.4 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | V15 V22 E23 V24 E62 | V15-G20 VanDerWaalsContact CG1-C 3.47Å; V15-G20 PolarHBondContact O-N 3.4Å; G20-V22 PolarHBondContact O-N 3.44Å; G20-E23 PolarHBondContact O-N 3.22Å; G20-V24 WeakPolarHBondContact O-CG2 3.3Å; G20-V24 PolarHBondContact O-N 3.07Å; G20-V24 VanDerWaalsContact O-N 3.14Å; G20-E62 WeakPolarHBondContact CA-OE1 3.38Å | ||
| 21 | L | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.8 | -42 | -171.6 | 179.4 | 63.5 | 0 | 0 | 0 | 112.7 | V15 V24 I25 W30 R51 Y54 M55 Y59 E62 L74 | V15-L21 HydrophobicContact CG1-CB 4.37Å; L21-V24 PolarHBondContact O-N 3.45Å; L21-I25 HydrophobicContact CD1-CD1 4.22Å; L21-I25 HydrophobicContact CG-CD1 3.99Å; L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 3.28Å; L21-I25 PolarHBondContact O-N 3.21Å; L21-I25 VanDerWaalsContact O-N 3.08Å; L21-W30 HydrophobicContact CD1-CH2 3.85Å; L21-W30 HydrophobicContact CD1-CZ2 4.34Å; L21-R51 HydrophobicContact CD1-CG 4.5Å; L21-Y54 HydrophobicContact CB-CD1 4.01Å; L21-Y54 HydrophobicContact CB-CE1 3.87Å; L21-Y54 HydrophobicContact CD1-CD1 3.78Å; L21-Y54 HydrophobicContact CD1-CE1 4.42Å; L21-Y54 HydrophobicContact CD1-CG 4.02Å; L21-Y54 HydrophobicContact CD2-CD1 3.83Å; L21-Y54 HydrophobicContact CD2-CE1 4.4Å; L21-Y54 HydrophobicContact CG-CD1 4.07Å; L21-Y54 HydrophobicContact CG-CE1 4.44Å; L21-M55 HydrophobicContact CD2-CB 4.42Å; L21-Y59 HydrophobicContact CB-CD2 4.17Å; L21-Y59 HydrophobicContact CB-CE2 4.44Å; L21-Y59 HydrophobicContact CD2-CD2 3.68Å; L21-Y59 HydrophobicContact CD2-CE2 4.22Å; L21-Y59 HydrophobicContact CD2-CG 4.26Å; L21-E62 PolarHBondContact N-OE1 3.25Å; L21-E62 PolarHBondContact N-OE2 2.9Å; L21-L74 HydrophobicContact CD2-CD1 3.61Å; L21-L74 HydrophobicContact CD2-CD2 3.91Å; L21-L74 HydrophobicContact CD2-CG 4.43Å; L21-L74 HydrophobicContact CG-CD1 3.95Å |
| 22 | V | 96.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.6 | -44.4 | -178.6 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | G20 V24 I25 N26 S69 E73 L74 A77 | G20-V22 PolarHBondContact O-N 3.44Å; V22-V24 PolarHBondContact O-N 3.37Å; V22-I25 WeakPolarHBondContact O-CB 3.36Å; V22-I25 PolarHBondContact O-N 3.38Å; V22-I25 VanDerWaalsContact O-N 3.13Å; V22-N26 WeakPolarHBondContact O-CB 3.47Å; V22-N26 PolarHBondContact O-N 2.68Å; V22-S69 VanDerWaalsContact CB-OG 3.31Å; V22-S69 WeakPolarHBondContact CB-OG 3.38Å; V22-S69 VanDerWaalsContact CG2-CB 3.44Å; V22-S69 WeakPolarHBondContact CG2-OG 3.28Å; V22-E73 HydrophobicContact CG1-CG 3.82Å; V22-E73 HydrophobicContact CG2-CG 4.41Å; V22-L74 HydrophobicContact CG2-CB 3.91Å; V22-L74 HydrophobicContact CG2-CD1 4.14Å; V22-A77 HydrophobicContact CG1-CB 4.04Å |
| 23 | E | 96.1 | Very high | 95.7 | Very high | 58 Ų | 58 | 53.5 Ų | 53.5 | 27% | 0.271 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | -178.7 | -162 | 61.1 | -162.6 | 0 | 0 | 111.2 | H18 G20 I25 N26 K27 | H18-E23 WeakPolarHBondContact O-CG 3.29Å; G20-E23 PolarHBondContact O-N 3.22Å; E23-I25 VanDerWaalsContact C-N 3.3Å; E23-I25 PolarHBondContact O-N 2.89Å; E23-N26 PolarHBondContact O-N 3.31Å; E23-K27 HydrophobicContact CG-CD 4.05Å; E23-K27 VanDerWaalsContact O-CB 3.32Å; E23-K27 WeakPolarHBondContact O-CB 3.39Å; E23-K27 PolarHBondContact O-N 3.16Å; E23-K27 WeakPolarHBondContact OE1-CD 3.4Å; E23-K27 WeakPolarHBondContact OE1-CE 3.38Å; E23-K27 IonicContact OE1-NZ 3.3Å; E23-K27 PolarHBondContact OE1-NZ 3.17Å |
| 24 | V | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61 | -37.5 | 173.7 | 172.8 | 0 | 0 | 0 | 0 | 111.9 | V15 H18 G20 L21 V22 K28 L29 W30 I33 | V15-V24 HydrophobicContact CG1-CG2 4.12Å; H18-V24 HydrophobicContact CB-CG2 3.85Å; G20-V24 WeakPolarHBondContact O-CG2 3.3Å; G20-V24 PolarHBondContact O-N 3.07Å; G20-V24 VanDerWaalsContact O-N 3.14Å; L21-V24 PolarHBondContact O-N 3.45Å; V22-V24 PolarHBondContact O-N 3.37Å; V24-K28 WeakPolarHBondContact O-CA 3.31Å; V24-K28 PolarHBondContact O-N 3.41Å; V24-K28 VanDerWaalsContact O-N 3.09Å; V24-L29 HydrophobicContact CG1-CB 4.34Å; V24-L29 PolarHBondContact O-N 2.94Å; V24-L29 VanDerWaalsContact O-N 3.08Å; V24-W30 HydrophobicContact CG1-CD2 3.9Å; V24-W30 HydrophobicContact CG1-CE3 4.01Å; V24-W30 HydrophobicContact CG1-CH2 3.91Å; V24-W30 HydrophobicContact CG1-CZ2 3.81Å; V24-W30 HydrophobicContact CG1-CZ3 4.01Å; V24-I33 HydrophobicContact CG1-CG1 4Å; V24-I33 HydrophobicContact CG2-CD1 4.31Å |
| 25 | I | 95.3 | Very high | 95.5 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.015 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.9 | -50.6 | 175.9 | -68.3 | 166.3 | 0 | 0 | 0 | 110.8 | L21 V22 E23 K28 W30 R51 L74 A77 I78 | L21-I25 HydrophobicContact CD1-CD1 4.22Å; L21-I25 HydrophobicContact CG-CD1 3.99Å; L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 3.28Å; L21-I25 PolarHBondContact O-N 3.21Å; L21-I25 VanDerWaalsContact O-N 3.08Å; V22-I25 WeakPolarHBondContact O-CB 3.36Å; V22-I25 PolarHBondContact O-N 3.38Å; V22-I25 VanDerWaalsContact O-N 3.13Å; E23-I25 VanDerWaalsContact C-N 3.3Å; E23-I25 PolarHBondContact O-N 2.89Å; I25-K28 PolarHBondContact O-N 3.4Å; I25-W30 HydrophobicContact CG1-CZ2 3.78Å; I25-R51 HydrophobicContact CD1-CG 4.09Å; I25-R51 HydrophobicContact CG1-CG 4.43Å; I25-L74 HydrophobicContact CD1-CD1 3.48Å; I25-L74 VanDerWaalsContact CD1-CD1 3.48Å; I25-A77 HydrophobicContact CB-CB 4.33Å; I25-A77 HydrophobicContact CG2-CB 3.88Å; I25-I78 HydrophobicContact CD1-CG1 4.22Å |
| 26 | N | 94.6 | Very high | 95.4 | Very high | 86 Ų | 86 | 52.9 Ų | 52.9 | 46% | 0.46 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.5 | -47.4 | -176.9 | -75.1 | -19.6 | 0 | 0 | 0 | 111.7 | V22 E23 K28 A77 | V22-N26 WeakPolarHBondContact O-CB 3.47Å; V22-N26 PolarHBondContact O-N 2.68Å; E23-N26 PolarHBondContact O-N 3.31Å; N26-K28 VanDerWaalsContact C-N 3.27Å; N26-K28 PolarHBondContact O-N 2.97Å; N26-A77 WeakPolarHBondContact OD1-CB 3.22Å |
| 27 | K | 95.1 | Very high | 95.3 | Very high | 125 Ų | 125 | 52 Ų | 52 | 54% | 0.543 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -3.8 | 178.8 | -69.9 | -179.3 | 168.1 | 146.2 | 0 | 113.9 | E23 L29 | E23-K27 HydrophobicContact CG-CD 4.05Å; E23-K27 VanDerWaalsContact O-CB 3.32Å; E23-K27 WeakPolarHBondContact O-CB 3.39Å; E23-K27 PolarHBondContact O-N 3.16Å; E23-K27 WeakPolarHBondContact OE1-CD 3.4Å; E23-K27 WeakPolarHBondContact OE1-CE 3.38Å; E23-K27 IonicContact OE1-NZ 3.3Å; E23-K27 PolarHBondContact OE1-NZ 3.17Å; K27-L29 VanDerWaalsContact C-N 3.28Å; K27-L29 HydrophobicContact CB-CD1 3.71Å; K27-L29 HydrophobicContact CB-CD2 4.02Å; K27-L29 HydrophobicContact CB-CG 3.52Å; K27-L29 HydrophobicContact CD-CD1 3.85Å; K27-L29 HydrophobicContact CG-CD1 4.45Å; K27-L29 PolarHBondContact O-N 3.12Å |
| 28 | K | 94.5 | Very high | 95 | Very high | 112 Ų | 112 | 54.5 Ų | 54.5 | 49% | 0.487 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 38.8 | -178.9 | -58.8 | 176.1 | 179 | 168.7 | 0 | 113.3 | V24 I25 N26 W30 N81 | V24-K28 WeakPolarHBondContact O-CA 3.31Å; V24-K28 PolarHBondContact O-N 3.41Å; V24-K28 VanDerWaalsContact O-N 3.09Å; I25-K28 PolarHBondContact O-N 3.4Å; N26-K28 VanDerWaalsContact C-N 3.27Å; N26-K28 PolarHBondContact O-N 2.97Å; K28-W30 PolarHBondContact O-N 3.43Å; K28-W30 VanDerWaalsContact O-N 3.09Å; K28-N81 WeakPolarHBondContact CE-OD1 3.45Å |
| 29 | L | 95.5 | Very high | 94.7 | Very high | 32 Ų | 32 | 53.6 Ų | 53.6 | 17% | 0.168 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 13.3 | -172.8 | -60 | 172.3 | 0 | 0 | 0 | 114.7 | H18 V24 K27 R31 E32 I33 | H18-L29 HydrophobicContact CB-CD1 4.1Å; V24-L29 HydrophobicContact CG1-CB 4.34Å; V24-L29 PolarHBondContact O-N 2.94Å; V24-L29 VanDerWaalsContact O-N 3.08Å; K27-L29 VanDerWaalsContact C-N 3.28Å; K27-L29 HydrophobicContact CB-CD1 3.71Å; K27-L29 HydrophobicContact CB-CD2 4.02Å; K27-L29 HydrophobicContact CB-CG 3.52Å; K27-L29 HydrophobicContact CD-CD1 3.85Å; K27-L29 HydrophobicContact CG-CD1 4.45Å; K27-L29 PolarHBondContact O-N 3.12Å; L29-R31 PolarHBondContact O-N 3.08Å; L29-E32 WeakPolarHBondContact O-CB 3.36Å; L29-E32 PolarHBondContact O-N 3.16Å; L29-I33 PolarHBondContact O-N 2.82Å |
| 30 | W | 95.2 | Very high | 94.6 | Very high | 21 Ų | 21 | 55.5 Ų | 55.5 | 8% | 0.08 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.9 | -25.6 | -176.1 | -63.9 | 105.8 | 0 | 0 | 0 | 114.3 | L21 V24 I25 K28 E32 T34 A47 L50 R51 | L21-W30 HydrophobicContact CD1-CH2 3.85Å; L21-W30 HydrophobicContact CD1-CZ2 4.34Å; V24-W30 HydrophobicContact CG1-CD2 3.9Å; V24-W30 HydrophobicContact CG1-CE3 4.01Å; V24-W30 HydrophobicContact CG1-CH2 3.91Å; V24-W30 HydrophobicContact CG1-CZ2 3.81Å; V24-W30 HydrophobicContact CG1-CZ3 4.01Å; I25-W30 HydrophobicContact CG1-CZ2 3.78Å; K28-W30 PolarHBondContact O-N 3.43Å; K28-W30 VanDerWaalsContact O-N 3.09Å; W30-E32 VanDerWaalsContact C-N 3.35Å; W30-T34 WeakPolarHBondContact O-CB 3.43Å; W30-T34 VanDerWaalsContact O-CG2 3.32Å; W30-T34 WeakPolarHBondContact O-CG2 3.49Å; W30-T34 PolarHBondContact O-N 3.21Å; W30-T34 PolarHBondContact O-OG1 2.87Å; W30-A47 HydrophobicContact CB-CB 3.53Å; W30-A47 HydrophobicContact CD2-CB 3.92Å; W30-A47 HydrophobicContact CG-CB 3.33Å; W30-L50 HydrophobicContact CE3-CB 3.89Å; W30-L50 HydrophobicContact CE3-CD1 4.24Å; W30-L50 HydrophobicContact CZ3-CB 3.6Å; W30-R51 VanDerWaalsContact CH2-CA 3.49Å; W30-R51 HydrophobicContact CH2-CB 3.58Å; W30-R51 HydrophobicContact CH2-CG 4.24Å; W30-R51 HydrophobicContact CZ2-CB 3.57Å; W30-R51 HydrophobicContact CZ2-CG 4Å; W30-R51 HydrophobicContact CZ3-CB 4.4Å |
| 31 | R | 94.4 | Very high | 94.2 | Very high | 199 Ų | 199 | 61.4 Ų | 61.4 | 75% | 0.751 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -68.1 | -34 | 173.7 | -71.6 | -172.7 | -177.8 | 157.2 | 0.4 | 112.7 | L29 T34 K35 | L29-R31 PolarHBondContact O-N 3.08Å; R31-T34 WeakPolarHBondContact CA-OG1 3.49Å; R31-T34 PolarHBondContact O-OG1 3.34Å; R31-K35 WeakPolarHBondContact O-CB 3.1Å; R31-K35 PolarHBondContact O-N 3.21Å; R31-K35 VanDerWaalsContact O-N 3.13Å |
| 32 | E | 95.9 | Very high | 93.8 | Very high | 102 Ų | 102 | 66.1 Ų | 66.1 | 48% | 0.477 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -75.1 | -41.7 | 177.1 | -60.7 | -173.1 | 161 | 0 | 0 | 110.5 | H18 L29 W30 T34 K35 G36 | H18-E32 IonicContact CD2-OE2 3.94Å; H18-E32 IonicContact NE2-OE2 2.64Å; H18-E32 PolarHBondContact NE2-OE2 3.35Å; L29-E32 WeakPolarHBondContact O-CB 3.36Å; L29-E32 PolarHBondContact O-N 3.16Å; W30-E32 VanDerWaalsContact C-N 3.35Å; E32-T34 PolarHBondContact O-N 3.41Å; E32-K35 WeakPolarHBondContact O-CB 3.47Å; E32-K35 PolarHBondContact O-N 3.13Å; E32-G36 PolarHBondContact O-N 3.38Å |
| 33 | I | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 175.1 | -54.2 | -57.2 | 0 | 0 | 0 | 111.1 | L11 L14 V15 V24 L29 K35 G36 L37 L50 | L11-I33 HydrophobicContact CD1-CG2 3.78Å; L14-I33 HydrophobicContact CB-CD1 4.02Å; V15-I33 HydrophobicContact CG2-CD1 4.18Å; V15-I33 HydrophobicContact CG2-CG2 4.48Å; V24-I33 HydrophobicContact CG1-CG1 4Å; V24-I33 HydrophobicContact CG2-CD1 4.31Å; L29-I33 PolarHBondContact O-N 2.82Å; I33-K35 VanDerWaalsContact C-N 3.33Å; I33-K35 PolarHBondContact O-N 3.08Å; I33-G36 PolarHBondContact O-N 3.09Å; I33-L37 HydrophobicContact CG2-CD1 4.18Å; I33-L37 WeakPolarHBondContact O-CG 3.42Å; I33-L37 PolarHBondContact O-N 3.48Å; I33-L50 HydrophobicContact CG2-CD1 4.05Å |
| 34 | T | 94.5 | Very high | 93.2 | Very high | 6 Ų | 6 | 72.2 Ų | 72.2 | 4% | 0.037 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.4 | -36.8 | 177.3 | 46.1 | 0 | 0 | 0 | 0 | 112.7 | W30 R31 E32 L37 H38 L39 A46 L50 | W30-T34 WeakPolarHBondContact O-CB 3.43Å; W30-T34 VanDerWaalsContact O-CG2 3.32Å; W30-T34 WeakPolarHBondContact O-CG2 3.49Å; W30-T34 PolarHBondContact O-N 3.21Å; W30-T34 PolarHBondContact O-OG1 2.87Å; R31-T34 WeakPolarHBondContact CA-OG1 3.49Å; R31-T34 PolarHBondContact O-OG1 3.34Å; E32-T34 PolarHBondContact O-N 3.41Å; T34-L37 PolarHBondContact O-N 3.48Å; T34-H38 PolarHBondContact O-N 3.34Å; T34-L39 PolarHBondContact O-N 3.18Å; T34-A46 HydrophobicContact CG2-CB 3.59Å; T34-L50 HydrophobicContact CG2-CD1 3.66Å |
| 35 | K | 94.3 | Very high | 92.8 | Very high | 145 Ų | 145 | 75.7 Ų | 75.7 | 63% | 0.63 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.3 | -43.3 | 173.3 | -171.1 | -176.5 | 176.8 | -174.3 | 0 | 111.7 | R31 E32 I33 L37 H38 | R31-K35 WeakPolarHBondContact O-CB 3.1Å; R31-K35 PolarHBondContact O-N 3.21Å; R31-K35 VanDerWaalsContact O-N 3.13Å; E32-K35 WeakPolarHBondContact O-CB 3.47Å; E32-K35 PolarHBondContact O-N 3.13Å; I33-K35 VanDerWaalsContact C-N 3.33Å; I33-K35 PolarHBondContact O-N 3.08Å; K35-L37 VanDerWaalsContact C-N 3.32Å; K35-L37 PolarHBondContact O-N 3.14Å; K35-H38 PolarHBondContact O-N 3.38Å |
| 36 | G | 94.2 | Very high | 92.7 | Very high | 23 Ų | 23 | 76.1 Ų | 76.1 | 24% | 0.237 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.4 | -31.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E32 I33 H38 | E32-G36 PolarHBondContact O-N 3.38Å; I33-G36 PolarHBondContact O-N 3.09Å; G36-H38 PolarHBondContact O-CE1 3.26Å; G36-H38 PolarHBondContact O-N 3.14Å; G36-H38 PolarHBondContact O-ND1 3.49Å |
| 37 | L | 93.3 | Very high | 92.7 | Very high | 8 Ų | 8 | 73.9 Ų | 73.9 | 4% | 0.042 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 7.7 | 175.5 | -66.6 | 176.3 | 0 | 0 | 0 | 114 | L6 E10 L11 L14 I33 T34 K35 L39 L50 | L6-L37 HydrophobicContact CD1-CD1 3.97Å; E10-L37 HydrophobicContact CB-CD2 3.94Å; E10-L37 HydrophobicContact CG-CD2 4.25Å; L11-L37 HydrophobicContact CB-CD1 4.4Å; L11-L37 HydrophobicContact CB-CD2 4.14Å; L11-L37 HydrophobicContact CD1-CD1 4.06Å; L14-L37 HydrophobicContact CD1-CD2 3.87Å; L14-L37 HydrophobicContact CD1-CG 3.9Å; I33-L37 HydrophobicContact CG2-CD1 4.18Å; I33-L37 WeakPolarHBondContact O-CG 3.42Å; I33-L37 PolarHBondContact O-N 3.48Å; T34-L37 PolarHBondContact O-N 3.48Å; K35-L37 VanDerWaalsContact C-N 3.32Å; K35-L37 PolarHBondContact O-N 3.14Å; L37-L39 HydrophobicContact CB-CD1 4.04Å; L37-L39 HydrophobicContact CB-CG 3.93Å; L37-L39 HydrophobicContact CD1-CD1 4.2Å; L37-L39 PolarHBondContact O-N 2.97Å; L37-L39 VanDerWaalsContact O-N 3.09Å; L37-L50 HydrophobicContact CD1-CD1 4.24Å; L37-L50 HydrophobicContact CD1-CD2 3.83Å |
| 38 | H | 91.1 | Very high | 92.6 | Very high | 143 Ų | 143 | 74.1 Ų | 74.1 | 66% | 0.662 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 27.9 | -177.5 | -51.1 | 83.5 | 0 | 0 | 0 | 113.3 | E10 T34 K35 G36 | E10-H38 IonicContact OE1-CE1 3.54Å; T34-H38 PolarHBondContact O-N 3.34Å; K35-H38 PolarHBondContact O-N 3.38Å; G36-H38 PolarHBondContact O-CE1 3.26Å; G36-H38 PolarHBondContact O-N 3.14Å; G36-H38 PolarHBondContact O-ND1 3.49Å |
| 39 | L | 89.7 | Confident | 92.6 | Very high | 31 Ų | 31 | 71.6 Ų | 71.6 | 16% | 0.162 | 38% | 0.377 | C | S | . | . | trans | -89.4 | 145.2 | 177.8 | -64.7 | 176.3 | 0 | 0 | 0 | 110.3 | Q4 T34 L37 Q41 I43 | Q4-L39 HydrophobicContact CG-CD2 4.36Å; T34-L39 PolarHBondContact O-N 3.18Å; L37-L39 HydrophobicContact CB-CD1 4.04Å; L37-L39 HydrophobicContact CB-CG 3.93Å; L37-L39 HydrophobicContact CD1-CD1 4.2Å; L37-L39 PolarHBondContact O-N 2.97Å; L37-L39 VanDerWaalsContact O-N 3.09Å; L39-Q41 PolarHBondContact O-N 3.44Å; L39-Q41 VanDerWaalsContact O-N 3.17Å; L39-I43 HydrophobicContact CB-CD1 4.28Å | ||
| 40 | P | 90.7 | Very high | 92.6 | Very high | 70 Ų | 70 | 70.4 Ų | 70.4 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | trans | -56.5 | 122.5 | 172.6 | -23.5 | 31.2 | 0 | 0 | 0 | 111.5 | S42 I43 | P40-S42 PolarHBondContact O-N 2.93Å; P40-I43 HydrophobicContact CB-CD1 4.47Å; P40-I43 HydrophobicContact CB-CG1 4.28Å; P40-I43 HydrophobicContact CG-CD1 4.46Å; P40-I43 VanDerWaalsContact O-CG1 3.3Å; P40-I43 WeakPolarHBondContact O-CG1 3.29Å; P40-I43 PolarHBondContact O-N 3.37Å; P40-I43 VanDerWaalsContact O-N 3.08Å | ||
| 41 | Q | 87.9 | Confident | 92.6 | Very high | 123 Ų | 123 | 71.6 Ų | 71.6 | 58% | 0.575 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -15.1 | 178.2 | -68.3 | -172.3 | -0.4 | 0 | 0 | 113.3 | L39 I43 | L39-Q41 PolarHBondContact O-N 3.44Å; L39-Q41 VanDerWaalsContact O-N 3.17Å; Q41-I43 PolarHBondContact O-N 3.01Å |
| 42 | S | 88.8 | Confident | 92.6 | Very high | 99 Ų | 99 | 64.2 Ų | 64.2 | 69% | 0.692 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -5.5 | 175.8 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | P40 T44 | P40-S42 PolarHBondContact O-N 2.93Å; S42-T44 PolarHBondContact O-N 3.48Å |
| 43 | I | 90.5 | Very high | 92.6 | Very high | 59 Ų | 59 | 62.3 Ų | 62.3 | 30% | 0.303 | 34% | 0.344 | S | S | . | . | trans | -65.1 | 99.3 | 176.6 | -64.1 | 170.9 | 0 | 0 | 0 | 109.1 | L39 P40 Q41 S45 A46 | L39-I43 HydrophobicContact CB-CD1 4.28Å; P40-I43 HydrophobicContact CB-CD1 4.47Å; P40-I43 HydrophobicContact CB-CG1 4.28Å; P40-I43 HydrophobicContact CG-CD1 4.46Å; P40-I43 VanDerWaalsContact O-CG1 3.3Å; P40-I43 WeakPolarHBondContact O-CG1 3.29Å; P40-I43 PolarHBondContact O-N 3.37Å; P40-I43 VanDerWaalsContact O-N 3.08Å; Q41-I43 PolarHBondContact O-N 3.01Å; I43-S45 PolarHBondContact O-N 2.96Å; I43-A46 HydrophobicContact CB-CB 4.03Å; I43-A46 HydrophobicContact CG2-CB 3.83Å; I43-A46 WeakPolarHBondContact O-CB 3.36Å; I43-A46 PolarHBondContact O-N 3.44Å | ||
| 44 | T | 88.6 | Confident | 92.6 | Very high | 129 Ų | 129 | 62.3 Ų | 62.3 | 79% | 0.791 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 133.8 | 169.3 | -57.2 | 0 | 0 | 0 | 0 | 107.7 | S42 | S42-T44 PolarHBondContact O-N 3.48Š|
| 45 | S | 89.8 | Confident | 92.7 | Very high | 73 Ų | 73 | 65.9 Ų | 65.9 | 51% | 0.51 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 4.2 | -174.2 | 79.1 | 0 | 0 | 0 | 0 | 117.9 | I43 A47 F48 T49 | I43-S45 PolarHBondContact O-N 2.96Å; S45-A47 PolarHBondContact O-N 3.42Å; S45-A47 VanDerWaalsContact O-N 3.16Å; S45-F48 PolarHBondContact O-N 3.07Å; S45-T49 PolarHBondContact O-N 3.07Å; S45-T49 PolarHBondContact O-OG1 3.3Å |
| 46 | A | 92.7 | Very high | 92.7 | Very high | 13 Ų | 13 | 65.8 Ų | 65.8 | 11% | 0.107 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -51.6 | -43.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | T34 I43 F48 T49 L50 | T34-A46 HydrophobicContact CG2-CB 3.59Å; I43-A46 HydrophobicContact CB-CB 4.03Å; I43-A46 HydrophobicContact CG2-CB 3.83Å; I43-A46 WeakPolarHBondContact O-CB 3.36Å; I43-A46 PolarHBondContact O-N 3.44Å; A46-F48 VanDerWaalsContact C-N 3.35Å; A46-F48 PolarHBondContact O-N 3.01Å; A46-T49 PolarHBondContact O-N 3.31Å; A46-L50 WeakPolarHBondContact O-CB 3.17Å; A46-L50 VanDerWaalsContact O-CG 3.29Å; A46-L50 WeakPolarHBondContact O-CG 3.25Å; A46-L50 PolarHBondContact O-N 3.03Å |
| 47 | A | 94 | Very high | 92.8 | Very high | 38 Ų | 38 | 70.6 Ų | 70.6 | 31% | 0.314 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -55 | -47 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | W30 S45 R51 | W30-A47 HydrophobicContact CB-CB 3.53Å; W30-A47 HydrophobicContact CD2-CB 3.92Å; W30-A47 HydrophobicContact CG-CB 3.33Å; S45-A47 PolarHBondContact O-N 3.42Å; S45-A47 VanDerWaalsContact O-N 3.16Å; A47-R51 WeakPolarHBondContact O-CB 3.49Å; A47-R51 PolarHBondContact O-N 2.97Å |
| 48 | F | 94.1 | Very high | 92.9 | Very high | 131 Ų | 131 | 71.1 Ų | 71.1 | 58% | 0.575 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -68.8 | -43.8 | -178.6 | 178.4 | -98.4 | 0 | 0 | 0 | 111.2 | S45 A46 T52 | S45-F48 PolarHBondContact O-N 3.07Å; A46-F48 VanDerWaalsContact C-N 3.35Å; A46-F48 PolarHBondContact O-N 3.01Å; F48-T52 WeakPolarHBondContact O-CB 3.44Å; F48-T52 PolarHBondContact O-N 3.11Å; F48-T52 PolarHBondContact O-OG1 3.48Å |
| 49 | T | 93.9 | Very high | 93.1 | Very high | 58 Ų | 58 | 65.3 Ų | 65.3 | 36% | 0.356 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.1 | -56 | 176.8 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | S45 A46 R51 T52 Q53 | S45-T49 PolarHBondContact O-N 3.07Å; S45-T49 PolarHBondContact O-OG1 3.3Å; A46-T49 PolarHBondContact O-N 3.31Å; T49-R51 VanDerWaalsContact C-N 3.35Å; T49-R51 PolarHBondContact O-N 3.39Å; T49-T52 PolarHBondContact O-N 3.3Å; T49-T52 VanDerWaalsContact O-N 3.13Å; T49-Q53 HydrophobicContact CG2-CG 4.35Å; T49-Q53 WeakPolarHBondContact O-CG 3.31Å; T49-Q53 PolarHBondContact O-N 3.45Å |
| 50 | L | 95.6 | Very high | 93.3 | Very high | 7 Ų | 7 | 67.2 Ų | 67.2 | 4% | 0.037 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.7 | -45.2 | -178.3 | -69.9 | 176.1 | 0 | 0 | 0 | 111.6 | L6 L11 W30 I33 T34 L37 A46 T52 Q53 Y54 | L6-L50 HydrophobicContact CD1-CD2 3.68Å; L6-L50 HydrophobicContact CD2-CD2 4.32Å; L11-L50 HydrophobicContact CD1-CD2 4.35Å; W30-L50 HydrophobicContact CE3-CB 3.89Å; W30-L50 HydrophobicContact CE3-CD1 4.24Å; W30-L50 HydrophobicContact CZ3-CB 3.6Å; I33-L50 HydrophobicContact CG2-CD1 4.05Å; T34-L50 HydrophobicContact CG2-CD1 3.66Å; L37-L50 HydrophobicContact CD1-CD1 4.24Å; L37-L50 HydrophobicContact CD1-CD2 3.83Å; A46-L50 WeakPolarHBondContact O-CB 3.17Å; A46-L50 VanDerWaalsContact O-CG 3.29Å; A46-L50 WeakPolarHBondContact O-CG 3.25Å; A46-L50 PolarHBondContact O-N 3.03Å; L50-T52 VanDerWaalsContact C-N 3.32Å; L50-T52 PolarHBondContact O-N 3.21Å; L50-Q53 PolarHBondContact O-N 3.38Å; L50-Y54 VanDerWaalsContact O-CB 3.23Å; L50-Y54 WeakPolarHBondContact O-CB 3.08Å; L50-Y54 PolarHBondContact O-N 3.34Å |
| 51 | R | 95.1 | Very high | 93.5 | Very high | 46 Ų | 46 | 69.9 Ų | 69.9 | 17% | 0.174 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -55.9 | -46.7 | 175.5 | -178.4 | -178 | 153.9 | -117.9 | -27.1 | 112.5 | L21 I25 W30 A47 T49 M55 | L21-R51 HydrophobicContact CD1-CG 4.5Å; I25-R51 HydrophobicContact CD1-CG 4.09Å; I25-R51 HydrophobicContact CG1-CG 4.43Å; W30-R51 VanDerWaalsContact CH2-CA 3.49Å; W30-R51 HydrophobicContact CH2-CB 3.58Å; W30-R51 HydrophobicContact CH2-CG 4.24Å; W30-R51 HydrophobicContact CZ2-CB 3.57Å; W30-R51 HydrophobicContact CZ2-CG 4Å; W30-R51 HydrophobicContact CZ3-CB 4.4Å; A47-R51 WeakPolarHBondContact O-CB 3.49Å; A47-R51 PolarHBondContact O-N 2.97Å; T49-R51 VanDerWaalsContact C-N 3.35Å; T49-R51 PolarHBondContact O-N 3.39Å; R51-M55 VanDerWaalsContact O-CB 3.29Å; R51-M55 WeakPolarHBondContact O-CB 3.23Å; R51-M55 PolarHBondContact O-N 2.86Å |
| 52 | T | 94.8 | Very high | 93.8 | Very high | 45 Ų | 45 | 64 Ų | 64 | 28% | 0.276 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.7 | -39.6 | -176.5 | -54.4 | 0 | 0 | 0 | 0 | 111 | F48 T49 L50 K56 | F48-T52 WeakPolarHBondContact O-CB 3.44Å; F48-T52 PolarHBondContact O-N 3.11Å; F48-T52 PolarHBondContact O-OG1 3.48Å; T49-T52 PolarHBondContact O-N 3.3Å; T49-T52 VanDerWaalsContact O-N 3.13Å; L50-T52 VanDerWaalsContact C-N 3.32Å; L50-T52 PolarHBondContact O-N 3.21Å; T52-K56 WeakPolarHBondContact O-CB 3.38Å; T52-K56 PolarHBondContact O-N 3.03Å; T52-K56 VanDerWaalsContact O-N 3.16Å |
| 53 | Q | 94.9 | Very high | 94 | Very high | 61 Ų | 61 | 60.6 Ų | 60.6 | 29% | 0.285 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66 | -45.5 | 175.3 | -64 | -46.7 | -57.9 | 0 | 0 | 111.6 | L6 T49 L50 M55 K56 Y57 | L6-Q53 HydrophobicContact CD2-CB 3.89Å; L6-Q53 HydrophobicContact CD2-CG 4.04Å; T49-Q53 HydrophobicContact CG2-CG 4.35Å; T49-Q53 WeakPolarHBondContact O-CG 3.31Å; T49-Q53 PolarHBondContact O-N 3.45Å; L50-Q53 PolarHBondContact O-N 3.38Å; Q53-M55 PolarHBondContact O-N 3.03Å; Q53-K56 PolarHBondContact O-N 2.86Å; Q53-K56 VanDerWaalsContact O-N 3.11Å; Q53-Y57 WeakPolarHBondContact O-CD2 3.2Å; Q53-Y57 PolarHBondContact O-N 2.81Å |
| 54 | Y | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 178.5 | -166.2 | -74.2 | 0 | 0 | 0 | 111.3 | L11 V15 L21 L50 K56 Y57 L58 Y59 E62 | L11-Y54 HydrophobicContact CD1-CD2 4.14Å; L11-Y54 HydrophobicContact CD2-CD2 3.98Å; L11-Y54 HydrophobicContact CG-CD2 3.79Å; L11-Y54 HydrophobicContact CG-CE2 4.33Å; V15-Y54 HydrophobicContact CB-CD2 4.14Å; V15-Y54 HydrophobicContact CB-CE2 3.42Å; V15-Y54 VanDerWaalsContact CB-CE2 3.42Å; V15-Y54 HydrophobicContact CG1-CD2 4.28Å; V15-Y54 HydrophobicContact CG1-CE1 4.2Å; V15-Y54 HydrophobicContact CG1-CE2 3.6Å; V15-Y54 WeakPolarHBondContact CG1-OH 3.32Å; V15-Y54 HydrophobicContact CG2-CD2 3.75Å; V15-Y54 HydrophobicContact CG2-CE2 3.56Å; L21-Y54 HydrophobicContact CB-CD1 4.01Å; L21-Y54 HydrophobicContact CB-CE1 3.87Å; L21-Y54 HydrophobicContact CD1-CD1 3.78Å; L21-Y54 HydrophobicContact CD1-CE1 4.42Å; L21-Y54 HydrophobicContact CD1-CG 4.02Å; L21-Y54 HydrophobicContact CD2-CD1 3.83Å; L21-Y54 HydrophobicContact CD2-CE1 4.4Å; L21-Y54 HydrophobicContact CG-CD1 4.07Å; L21-Y54 HydrophobicContact CG-CE1 4.44Å; L50-Y54 VanDerWaalsContact O-CB 3.23Å; L50-Y54 WeakPolarHBondContact O-CB 3.08Å; L50-Y54 PolarHBondContact O-N 3.34Å; Y54-K56 PolarHBondContact O-N 3.05Å; Y54-Y57 PolarHBondContact O-N 3.33Å; Y54-L58 HydrophobicContact CD1-CB 4.09Å; Y54-L58 HydrophobicContact CD2-CB 4.13Å; Y54-L58 HydrophobicContact CD2-CD1 3.65Å; Y54-L58 HydrophobicContact CE1-CB 3.96Å; Y54-L58 HydrophobicContact CE2-CB 3.98Å; Y54-L58 HydrophobicContact CE2-CD1 3.68Å; Y54-L58 HydrophobicContact CG-CB 4.19Å; Y54-L58 HydrophobicContact CG-CD1 4.36Å; Y54-L58 PolarHBondContact O-N 3.06Å; Y54-Y59 PolarHBondContact O-N 3.37Å; Y54-E62 WeakPolarHBondContact CE1-OE2 3.43Å; Y54-E62 PolarHBondContact OH-OE2 3.44Å |
| 55 | M | 95.4 | Very high | 94.3 | Very high | 81 Ų | 81 | 65.1 Ų | 65.1 | 40% | 0.399 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.1 | -34 | 177 | -169.7 | 177.4 | 71.2 | 0 | 0 | 112.4 | L21 R51 Q53 L74 | L21-M55 HydrophobicContact CD2-CB 4.42Å; R51-M55 VanDerWaalsContact O-CB 3.29Å; R51-M55 WeakPolarHBondContact O-CB 3.23Å; R51-M55 PolarHBondContact O-N 2.86Å; Q53-M55 PolarHBondContact O-N 3.03Å; M55-L74 HydrophobicContact CG-CD2 4.2Å; M55-L74 HydrophobicContact SD-CD2 4.23Å |
| 56 | K | 95.3 | Very high | 94.4 | Very high | 143 Ų | 143 | 66.3 Ų | 66.3 | 62% | 0.622 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -78.1 | -41.2 | -178.4 | -174 | 179.3 | 177.1 | -164.4 | 0 | 113.4 | T52 Q53 Y54 | T52-K56 WeakPolarHBondContact O-CB 3.38Å; T52-K56 PolarHBondContact O-N 3.03Å; T52-K56 VanDerWaalsContact O-N 3.16Å; Q53-K56 PolarHBondContact O-N 2.86Å; Q53-K56 VanDerWaalsContact O-N 3.11Å; Y54-K56 PolarHBondContact O-N 3.05Å |
| 57 | Y | 96.3 | Very high | 94.2 | Very high | 125 Ų | 125 | 73.8 Ų | 73.8 | 49% | 0.49 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -110.6 | -27.8 | -168.4 | -66.1 | -71.6 | 0 | 0 | 0 | 115 | Q53 Y54 | Q53-Y57 WeakPolarHBondContact O-CD2 3.2Å; Q53-Y57 PolarHBondContact O-N 2.81Å; Y54-Y57 PolarHBondContact O-N 3.33Å |
| 58 | L | 95.9 | Very high | 93.7 | Very high | 18 Ų | 18 | 75.2 Ų | 75.2 | 9% | 0.094 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.4 | -26.5 | -168.6 | -66.1 | 172.4 | 0 | 0 | 0 | 113.7 | L8 L11 Y12 Y54 A60 Y61 E62 | L8-L58 HydrophobicContact CB-CD2 4.43Å; L8-L58 HydrophobicContact CD2-CD1 4.45Å; L11-L58 HydrophobicContact CB-CD1 4.44Å; L11-L58 HydrophobicContact CD2-CD1 3.96Å; L11-L58 HydrophobicContact CG-CD1 4.06Å; Y12-L58 HydrophobicContact CD2-CD2 4.44Å; Y54-L58 HydrophobicContact CD1-CB 4.09Å; Y54-L58 HydrophobicContact CD2-CB 4.13Å; Y54-L58 HydrophobicContact CD2-CD1 3.65Å; Y54-L58 HydrophobicContact CE1-CB 3.96Å; Y54-L58 HydrophobicContact CE2-CB 3.98Å; Y54-L58 HydrophobicContact CE2-CD1 3.68Å; Y54-L58 HydrophobicContact CG-CB 4.19Å; Y54-L58 HydrophobicContact CG-CD1 4.36Å; Y54-L58 PolarHBondContact O-N 3.06Å; L58-A60 PolarHBondContact O-N 2.92Å; L58-Y61 WeakPolarHBondContact O-CA 3.24Å; L58-Y61 WeakPolarHBondContact O-CB 3.33Å; L58-Y61 PolarHBondContact O-N 3.39Å; L58-E62 PolarHBondContact O-N 3.17Å |
| 59 | Y | 95.2 | Very high | 93.4 | Very high | 21 Ų | 21 | 69.6 Ų | 69.6 | 8% | 0.082 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.3 | -39.1 | -171.8 | -176.6 | -109.9 | 0 | 0 | 0 | 114.1 | L21 Y54 Y61 E62 C63 S70 P71 L74 | L21-Y59 HydrophobicContact CB-CD2 4.17Å; L21-Y59 HydrophobicContact CB-CE2 4.44Å; L21-Y59 HydrophobicContact CD2-CD2 3.68Å; L21-Y59 HydrophobicContact CD2-CE2 4.22Å; L21-Y59 HydrophobicContact CD2-CG 4.26Å; Y54-Y59 PolarHBondContact O-N 3.37Å; Y59-Y61 VanDerWaalsContact C-N 3.26Å; Y59-Y61 PolarHBondContact O-N 2.99Å; Y59-E62 PolarHBondContact O-N 2.82Å; Y59-C63 VanDerWaalsContact CZ-SG 3.54Å; Y59-C63 PolarHBondContact O-N 2.99Å; Y59-C63 VanDerWaalsContact O-N 3.07Å; Y59-C63 PolarHBondContact O-SG 2.88Å; Y59-S70 PolarHBondContact OH-O 3.18Å; Y59-S70 VanDerWaalsContact OH-O 3.13Å; Y59-P71 HydrophobicContact CE1-CG 4.49Å; Y59-L74 HydrophobicContact CD1-CD2 4.03Å; Y59-L74 HydrophobicContact CD2-CD2 4.17Å; Y59-L74 HydrophobicContact CE1-CD2 3.68Å; Y59-L74 HydrophobicContact CE2-CD2 3.83Å; Y59-L74 HydrophobicContact CG-CD2 4.26Å |
| 60 | A | 93.4 | Very high | 93.2 | Very high | 72 Ų | 72 | 69 Ų | 69 | 60% | 0.595 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -59.2 | -40.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L58 D64 | L58-A60 PolarHBondContact O-N 2.92Å; A60-D64 PolarHBondContact O-N 2.96Å |
| 61 | Y | 95.3 | Very high | 93 | Very high | 125 Ų | 125 | 72.9 Ų | 72.9 | 49% | 0.49 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.7 | -39.7 | 178.8 | -176.1 | -100.3 | 0 | 0 | 0 | 112.7 | Y12 L58 Y59 D64 R65 | Y12-Y61 HydrophobicContact CD2-CD1 4.26Å; Y12-Y61 HydrophobicContact CE1-CD1 4.42Å; Y12-Y61 AromaticContact CE1-CE1 3.98Å; Y12-Y61 HydrophobicContact CE1-CE1 3.98Å; Y12-Y61 AromaticContact CE2-CD1 3.64Å; Y12-Y61 HydrophobicContact CE2-CD1 3.64Å; Y12-Y61 HydrophobicContact CE2-CE1 4.02Å; Y12-Y61 AromaticContact CZ-CD1 3.74Å; Y12-Y61 AromaticContact CZ-CE1 3.62Å; L58-Y61 WeakPolarHBondContact O-CA 3.24Å; L58-Y61 WeakPolarHBondContact O-CB 3.33Å; L58-Y61 PolarHBondContact O-N 3.39Å; Y59-Y61 VanDerWaalsContact C-N 3.26Å; Y59-Y61 PolarHBondContact O-N 2.99Å; Y61-D64 PolarHBondContact O-N 3.31Å; Y61-R65 HydrophobicContact CD1-CG 4.24Å; Y61-R65 HydrophobicContact CD2-CG 4.23Å; Y61-R65 HydrophobicContact CE1-CG 3.82Å; Y61-R65 HydrophobicContact CE2-CG 3.81Å; Y61-R65 HydrophobicContact CG-CG 4.43Å; Y61-R65 WeakPolarHBondContact O-CB 2.97Å; Y61-R65 WeakPolarHBondContact O-CG 3.11Å; Y61-R65 PolarHBondContact O-N 3.13Å |
| 62 | E | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 174.4 | -178.5 | -172.3 | 147.4 | 0 | 0 | 111.7 | Y12 V16 G20 L21 Y54 L58 Y59 D64 R65 E66 K67 | Y12-E62 HydrophobicContact CE2-CB 4.22Å; V16-E62 HydrophobicContact CG2-CG 4.48Å; G20-E62 WeakPolarHBondContact CA-OE1 3.38Å; L21-E62 PolarHBondContact N-OE1 3.25Å; L21-E62 PolarHBondContact N-OE2 2.9Å; Y54-E62 WeakPolarHBondContact CE1-OE2 3.43Å; Y54-E62 PolarHBondContact OH-OE2 3.44Å; L58-E62 PolarHBondContact O-N 3.17Å; Y59-E62 PolarHBondContact O-N 2.82Å; E62-D64 VanDerWaalsContact C-N 3.29Å; E62-D64 PolarHBondContact O-N 3.06Å; E62-R65 PolarHBondContact O-N 3.04Å; E62-E66 PolarHBondContact O-N 3.24Å; E62-K67 PolarHBondContact O-N 3.34Å |
| 63 | C | 92.9 | Very high | 92.9 | Very high | 27 Ų | 27 | 76.9 Ų | 76.9 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.1 | -37.4 | 178.2 | -72.1 | 0 | 0 | 0 | 0 | 112.2 | Y59 K67 S69 | Y59-C63 VanDerWaalsContact CZ-SG 3.54Å; Y59-C63 PolarHBondContact O-N 2.99Å; Y59-C63 VanDerWaalsContact O-N 3.07Å; Y59-C63 PolarHBondContact O-SG 2.88Å; C63-K67 WeakPolarHBondContact O-CG 3.34Å; C63-S69 PolarHBondContact SG-O 3.35Å |
| 64 | D | 92.8 | Very high | 92.8 | Very high | 119 Ų | 119 | 74.4 Ų | 74.4 | 64% | 0.636 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -78.2 | -33.1 | -178.1 | -72.2 | -14.1 | 0 | 0 | 0 | 113.6 | A60 Y61 E62 | A60-D64 PolarHBondContact O-N 2.96Å; Y61-D64 PolarHBondContact O-N 3.31Å; E62-D64 VanDerWaalsContact C-N 3.29Å; E62-D64 PolarHBondContact O-N 3.06Å |
| 65 | R | 92.7 | Very high | 92.7 | Very high | 164 Ų | 164 | 82.1 Ų | 82.1 | 62% | 0.619 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -90.8 | -54.6 | -176.4 | -67.6 | -73.1 | 84.7 | 173.5 | 3.3 | 112.9 | Y61 E62 | Y61-R65 HydrophobicContact CD1-CG 4.24Å; Y61-R65 HydrophobicContact CD2-CG 4.23Å; Y61-R65 HydrophobicContact CE1-CG 3.82Å; Y61-R65 HydrophobicContact CE2-CG 3.81Å; Y61-R65 HydrophobicContact CG-CG 4.43Å; Y61-R65 WeakPolarHBondContact O-CB 2.97Å; Y61-R65 WeakPolarHBondContact O-CG 3.11Å; Y61-R65 PolarHBondContact O-N 3.13Å; E62-R65 PolarHBondContact O-N 3.04Å |
| 66 | E | 90.3 | Very high | 92.6 | Very high | 98 Ų | 98 | 81.4 Ų | 81.4 | 46% | 0.458 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -23.2 | -168.5 | -58.3 | -66.4 | 148.5 | 0 | 0 | 112.4 | V16 E62 L68 | V16-E66 HydrophobicContact CG1-CG 3.96Å; V16-E66 HydrophobicContact CG2-CG 4.43Å; E62-E66 PolarHBondContact O-N 3.24Å; E66-L68 HydrophobicContact CB-CD1 3.72Å; E66-L68 HydrophobicContact CB-CG 3.69Å; E66-L68 HydrophobicContact CG-CD1 4.35Å; E66-L68 PolarHBondContact O-N 2.58Å; E66-L68 VanDerWaalsContact O-N 3.11Å |
| 67 | K | 88.7 | Confident | 92.5 | Very high | 170 Ų | 170 | 74.9 Ų | 74.9 | 74% | 0.739 | 38% | 0.384 | S | S | * | . | trans | 52.3 | 31.1 | -179.1 | -65.2 | 177.6 | 179.9 | -177.6 | 0 | 113.9 | E62 C63 S69 | E62-K67 PolarHBondContact O-N 3.34Å; C63-K67 WeakPolarHBondContact O-CG 3.34Å; K67-S69 VanDerWaalsContact C-N 3.26Å; K67-S69 PolarHBondContact O-N 3.46Å | ||
| 68 | L | 84.9 | Confident | 92.3 | Very high | 68 Ų | 68 | 70.1 Ų | 70.1 | 36% | 0.356 | 37% | 0.367 | S | S | . | . | trans | -72.3 | -17.9 | -177.3 | -65.8 | 167.6 | 0 | 0 | 0 | 113.3 | V16 E66 | V16-L68 HydrophobicContact CG1-CD1 4.21Å; E66-L68 HydrophobicContact CB-CD1 3.72Å; E66-L68 HydrophobicContact CB-CG 3.69Å; E66-L68 HydrophobicContact CG-CD1 4.35Å; E66-L68 PolarHBondContact O-N 2.58Å; E66-L68 VanDerWaalsContact O-N 3.11Å | ||
| 69 | S | 86.9 | Confident | 92.1 | Very high | 13 Ų | 13 | 73.1 Ų | 73.1 | 9% | 0.091 | 38% | 0.383 | C | S | . | . | trans | -152.8 | 153.9 | -173.4 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | V22 C63 K67 | V22-S69 VanDerWaalsContact CB-OG 3.31Å; V22-S69 WeakPolarHBondContact CB-OG 3.38Å; V22-S69 VanDerWaalsContact CG2-CB 3.44Å; V22-S69 WeakPolarHBondContact CG2-OG 3.28Å; C63-S69 PolarHBondContact SG-O 3.35Å; K67-S69 VanDerWaalsContact C-N 3.26Å; K67-S69 PolarHBondContact O-N 3.46Å | ||
| 70 | S | 89.9 | Confident | 91.8 | Very high | 47 Ų | 47 | 74.4 Ų | 74.4 | 33% | 0.329 | 40% | 0.402 | S | S | . | . | trans | -111.9 | 148.8 | 175.1 | 69.8 | 0 | 0 | 0 | 0 | 112.4 | Y59 P72 E73 L74 | Y59-S70 PolarHBondContact OH-O 3.18Å; Y59-S70 VanDerWaalsContact OH-O 3.13Å; S70-P72 VanDerWaalsContact C-CD 3.41Å; S70-P72 WeakPolarHBondContact OG-CG 3.29Å; S70-E73 PolarHBondContact N-OE2 2.94Å; S70-E73 WeakPolarHBondContact O-CB 3.42Å; S70-E73 PolarHBondContact O-N 3.38Å; S70-E73 VanDerWaalsContact OG-CB 3.31Å; S70-E73 WeakPolarHBondContact OG-CB 3.49Å; S70-L74 PolarHBondContact O-N 3.45Å | ||
| 71 | P | 91.7 | Very high | 91.3 | Very high | 87 Ų | 87 | 74.3 Ų | 74.3 | 57% | 0.565 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -48.8 | -41.1 | 175 | -26.9 | 34.2 | 0 | 0 | 0 | 116.3 | Y59 K75 | Y59-P71 HydrophobicContact CE1-CG 4.49Å; P71-K75 PolarHBondContact O-N 3.39Å; P71-K75 VanDerWaalsContact O-N 3.14Å |
| 72 | P | 92.8 | Very high | 90.5 | Very high | 93 Ų | 93 | 75.7 Ų | 75.7 | 60% | 0.604 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -67.4 | -36.9 | 176.2 | 25.1 | -34.1 | 0 | 0 | 0 | 112.9 | S70 K75 A76 | S70-P72 VanDerWaalsContact C-CD 3.41Å; S70-P72 WeakPolarHBondContact OG-CG 3.29Å; P72-K75 WeakPolarHBondContact O-CB 3.48Å; P72-K75 PolarHBondContact O-N 3.27Å; P72-A76 PolarHBondContact O-N 2.94Å |
| 73 | E | 94.1 | Very high | 89 | Confident | 83 Ų | 83 | 85.2 Ų | 85.2 | 39% | 0.388 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.6 | -42.6 | 177.9 | -171.1 | -173.7 | -175.8 | 0 | 0 | 111.6 | V22 S70 K75 A76 A77 | V22-E73 HydrophobicContact CG1-CG 3.82Å; V22-E73 HydrophobicContact CG2-CG 4.41Å; S70-E73 PolarHBondContact N-OE2 2.94Å; S70-E73 WeakPolarHBondContact O-CB 3.42Å; S70-E73 PolarHBondContact O-N 3.38Å; S70-E73 VanDerWaalsContact OG-CB 3.31Å; S70-E73 WeakPolarHBondContact OG-CB 3.49Å; E73-K75 VanDerWaalsContact C-N 3.31Å; E73-K75 PolarHBondContact O-N 3.24Å; E73-A76 WeakPolarHBondContact O-CB 3.36Å; E73-A76 PolarHBondContact O-N 3.32Å; E73-A76 VanDerWaalsContact O-N 3.17Å; E73-A77 PolarHBondContact O-N 3.16Å |
| 74 | L | 94 | Very high | 87.4 | Confident | 9 Ų | 9 | 90.4 Ų | 90.4 | 5% | 0.047 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -56.5 | -46.7 | 171.3 | 177.4 | 61.6 | 0 | 0 | 0 | 111.2 | L21 V22 I25 M55 Y59 S70 A76 A77 I78 | L21-L74 HydrophobicContact CD2-CD1 3.61Å; L21-L74 HydrophobicContact CD2-CD2 3.91Å; L21-L74 HydrophobicContact CD2-CG 4.43Å; L21-L74 HydrophobicContact CG-CD1 3.95Å; V22-L74 HydrophobicContact CG2-CB 3.91Å; V22-L74 HydrophobicContact CG2-CD1 4.14Å; I25-L74 HydrophobicContact CD1-CD1 3.48Å; I25-L74 VanDerWaalsContact CD1-CD1 3.48Å; M55-L74 HydrophobicContact CG-CD2 4.2Å; M55-L74 HydrophobicContact SD-CD2 4.23Å; Y59-L74 HydrophobicContact CD1-CD2 4.03Å; Y59-L74 HydrophobicContact CD2-CD2 4.17Å; Y59-L74 HydrophobicContact CE1-CD2 3.68Å; Y59-L74 HydrophobicContact CE2-CD2 3.83Å; Y59-L74 HydrophobicContact CG-CD2 4.26Å; S70-L74 PolarHBondContact O-N 3.45Å; L74-A76 VanDerWaalsContact C-N 3.31Å; L74-A76 PolarHBondContact O-N 3.13Å; L74-A77 PolarHBondContact O-N 3.36Å; L74-I78 HydrophobicContact CD1-CD1 3.86Å; L74-I78 HydrophobicContact CD1-CG1 4.21Å; L74-I78 HydrophobicContact CG-CD1 3.74Å; L74-I78 VanDerWaalsContact O-CD1 3.25Å; L74-I78 WeakPolarHBondContact O-CD1 3.4Å; L74-I78 WeakPolarHBondContact O-CG1 3.47Å; L74-I78 PolarHBondContact O-N 2.97Å |
| 75 | K | 93.3 | Very high | 85.7 | Confident | 162 Ų | 162 | 88 Ų | 88 | 70% | 0.704 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60.1 | -41.5 | 177.7 | -170.1 | 177 | -179.5 | -178.5 | 0 | 111.9 | P71 P72 E73 I78 D79 | P71-K75 PolarHBondContact O-N 3.39Å; P71-K75 VanDerWaalsContact O-N 3.14Å; P72-K75 WeakPolarHBondContact O-CB 3.48Å; P72-K75 PolarHBondContact O-N 3.27Å; E73-K75 VanDerWaalsContact C-N 3.31Å; E73-K75 PolarHBondContact O-N 3.24Å; K75-I78 PolarHBondContact O-N 3.14Å; K75-D79 PolarHBondContact O-N 3.27Å |
| 76 | A | 93.8 | Very high | 84 | Confident | 65 Ų | 65 | 90.9 Ų | 90.9 | 54% | 0.537 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P72 E73 L74 I78 D79 G80 | P72-A76 PolarHBondContact O-N 2.94Å; E73-A76 WeakPolarHBondContact O-CB 3.36Å; E73-A76 PolarHBondContact O-N 3.32Å; E73-A76 VanDerWaalsContact O-N 3.17Å; L74-A76 VanDerWaalsContact C-N 3.31Å; L74-A76 PolarHBondContact O-N 3.13Å; A76-I78 VanDerWaalsContact C-N 3.29Å; A76-I78 PolarHBondContact O-N 3.4Å; A76-D79 PolarHBondContact O-N 2.99Å; A76-G80 PolarHBondContact O-N 3.11Å |
| 77 | A | 93.3 | Very high | 82.2 | Confident | 7 Ų | 7 | 98 Ų | 98 | 6% | 0.058 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | V22 I25 N26 E73 L74 N81 | V22-A77 HydrophobicContact CG1-CB 4.04Å; I25-A77 HydrophobicContact CB-CB 4.33Å; I25-A77 HydrophobicContact CG2-CB 3.88Å; N26-A77 WeakPolarHBondContact OD1-CB 3.22Å; E73-A77 PolarHBondContact O-N 3.16Å; L74-A77 PolarHBondContact O-N 3.36Å; A77-N81 PolarHBondContact O-N 3.45Å |
| 78 | I | 92.7 | Very high | 80.3 | Confident | 25 Ų | 25 | 95.6 Ų | 95.6 | 13% | 0.128 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 176.8 | -64.3 | 164.2 | 0 | 0 | 0 | 111.3 | I25 L74 K75 A76 N81 K82 | I25-I78 HydrophobicContact CD1-CG1 4.22Å; L74-I78 HydrophobicContact CD1-CD1 3.86Å; L74-I78 HydrophobicContact CD1-CG1 4.21Å; L74-I78 HydrophobicContact CG-CD1 3.74Å; L74-I78 VanDerWaalsContact O-CD1 3.25Å; L74-I78 WeakPolarHBondContact O-CD1 3.4Å; L74-I78 WeakPolarHBondContact O-CG1 3.47Å; L74-I78 PolarHBondContact O-N 2.97Å; K75-I78 PolarHBondContact O-N 3.14Å; A76-I78 VanDerWaalsContact C-N 3.29Å; A76-I78 PolarHBondContact O-N 3.4Å; I78-N81 PolarHBondContact O-N 3.42Å; I78-K82 PolarHBondContact O-N 2.99Å |
| 79 | D | 91.9 | Very high | 78.5 | Confident | 81 Ų | 81 | 98.2 Ų | 98.2 | 43% | 0.433 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.5 | -38 | -177.7 | -162.9 | 50.7 | 0 | 0 | 0 | 112 | K75 A76 N81 K82 | K75-D79 PolarHBondContact O-N 3.27Å; A76-D79 PolarHBondContact O-N 2.99Å; D79-N81 VanDerWaalsContact C-N 3.27Å; D79-N81 PolarHBondContact O-N 3.26Å; D79-K82 WeakPolarHBondContact O-CB 3.49Å; D79-K82 PolarHBondContact O-N 2.9Å |
| 80 | G | 88.6 | Confident | 76.7 | Confident | 47 Ų | 47 | 106.1 Ų | 106.1 | 49% | 0.485 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -55.5 | -43.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A76 K82 R83 | A76-G80 PolarHBondContact O-N 3.11Å; G80-K82 VanDerWaalsContact C-N 3.27Å; G80-K82 PolarHBondContact O-N 2.95Å; G80-R83 PolarHBondContact O-N 3.01Å |
| 81 | N | 81.8 | Confident | 75.1 | Confident | 71 Ų | 71 | 111 Ų | 111 | 38% | 0.38 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -72.1 | -17.1 | 179.9 | -148.5 | 24.1 | 0 | 0 | 0 | 113.7 | K28 A77 I78 D79 R83 | K28-N81 WeakPolarHBondContact CE-OD1 3.45Å; A77-N81 PolarHBondContact O-N 3.45Å; I78-N81 PolarHBondContact O-N 3.42Å; D79-N81 VanDerWaalsContact C-N 3.27Å; D79-N81 PolarHBondContact O-N 3.26Å; N81-R83 VanDerWaalsContact C-N 3.31Å |
| 82 | K | 78.5 | Confident | 73.2 | Confident | 153 Ų | 153 | 110.4 Ų | 110.4 | 67% | 0.665 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -73.6 | -21.8 | 173.3 | -72.7 | 176.6 | -179.5 | 176.3 | 0 | 112.9 | I78 D79 G80 | I78-K82 PolarHBondContact O-N 2.99Å; D79-K82 WeakPolarHBondContact O-CB 3.49Å; D79-K82 PolarHBondContact O-N 2.9Å; G80-K82 VanDerWaalsContact C-N 3.27Å; G80-K82 PolarHBondContact O-N 2.95Å |
| 83 | R | 64.3 | Low | 70.9 | Confident | 200 Ų | 200 | 115.4 Ų | 115.4 | 76% | 0.755 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -88 | -20.5 | -175.4 | -74.4 | -176.9 | 174.9 | -169 | -1.5 | 114.5 | G80 N81 G85 | G80-R83 PolarHBondContact O-N 3.01Å; N81-R83 VanDerWaalsContact C-N 3.31Å; R83-G85 PolarHBondContact O-N 3.45Å; R83-G85 VanDerWaalsContact O-N 3.12Å |
| 84 | E | 59.2 | Low | 68.8 | Low | 136 Ų | 136 | 116.7 Ų | 116.7 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -21.9 | -175.8 | -170.7 | 57.6 | -151.4 | 0 | 0 | 113.9 | R86 | E84-R86 VanDerWaalsContact C-N 3.28Å; E84-R86 PolarHBondContact O-N 3.33Å; E84-R86 VanDerWaalsContact O-N 3.13Å |
| 85 | G | 56.4 | Low | 66.6 | Low | 68 Ų | 68 | 124.6 Ų | 124.6 | 70% | 0.701 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -10.6 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | R83 | R83-G85 PolarHBondContact O-N 3.45Å; R83-G85 VanDerWaalsContact O-N 3.12Å |
| 86 | R | 57.3 | Low | 64.7 | Low | 225 Ų | 225 | 123.1 Ų | 123.1 | 85% | 0.849 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -154 | 99.2 | -171.6 | -59 | -172.7 | -173.1 | -156.9 | 0 | 112.9 | E84 | E84-R86 VanDerWaalsContact C-N 3.28Å; E84-R86 PolarHBondContact O-N 3.33Å; E84-R86 VanDerWaalsContact O-N 3.13Å |
| 87 | R | 52.5 | Low | 62.4 | Low | 247 Ų | 247 | 125.5 Ų | 125.5 | 93% | 0.932 | 66% | 0.659 | S | S | * | * | trans | 88 | 97.1 | 155.4 | -55.3 | 169.7 | 140.1 | -157.6 | -7.9 | 118.3 | ||||
| 88 | S | 47.9 | Very low | 60.2 | Low | 120 Ų | 120 | 131.2 Ų | 131.2 | 84% | 0.839 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -157.2 | 73.6 | 140.7 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | ||
| 89 | S | 47.7 | Very low | 58.3 | Low | 123 Ų | 123 | 136.5 Ų | 136.5 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | trans | -179.4 | 71.7 | 167.1 | -81.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 90 | F | 50 | Low | 56.3 | Low | 179 Ų | 179 | 139.9 Ų | 139.9 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | -141.5 | 83.6 | 156.1 | -166.2 | -106.3 | 0 | 0 | 0 | 106.3 | P92 | F90-P92 HydrophobicContact CD1-CB 4.32Å; F90-P92 HydrophobicContact CD1-CG 3.74Å; F90-P92 HydrophobicContact CE1-CB 3.72Å; F90-P92 HydrophobicContact CE1-CG 3.43Å; F90-P92 VanDerWaalsContact CE1-CG 3.43Å; F90-P92 HydrophobicContact CZ-CB 3.95Å; F90-P92 HydrophobicContact CZ-CG 4.19Å; F90-P92 WeakPolarHBondContact O-CD 3.44Å | ||
| 91 | N | 56 | Low | 54.5 | Low | 149 Ų | 149 | 146 Ų | 146 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -91.2 | 98.3 | 158.1 | -79.4 | 21 | 0 | 0 | 0 | 106.4 | ||||
| 92 | P | 51.9 | Low | 52.4 | Low | 76 Ų | 76 | 146 Ų | 146 | 49% | 0.494 | 78% | 0.784 | S | S | . | * | trans | -84 | 114.3 | 160.6 | 35.3 | -29.4 | 0 | 0 | 0 | 106.6 | F90 S94 | F90-P92 HydrophobicContact CD1-CB 4.32Å; F90-P92 HydrophobicContact CD1-CG 3.74Å; F90-P92 HydrophobicContact CE1-CB 3.72Å; F90-P92 HydrophobicContact CE1-CG 3.43Å; F90-P92 VanDerWaalsContact CE1-CG 3.43Å; F90-P92 HydrophobicContact CZ-CB 3.95Å; F90-P92 HydrophobicContact CZ-CG 4.19Å; F90-P92 WeakPolarHBondContact O-CD 3.44Å; P92-S94 PolarHBondContact O-N 3.07Å | ||
| 93 | F | 43.1 | Very low | 51.1 | Low | 198 Ų | 198 | 150.7 Ų | 150.7 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | 51.9 | 64.9 | 161.7 | -74.4 | -93.3 | 0 | 0 | 0 | 116.2 | Q95 | F93-Q95 VanDerWaalsContact C-N 3.27Å; F93-Q95 PolarHBondContact O-N 3.33Å | ||
| 94 | S | 50.9 | Low | 50.2 | Low | 109 Ų | 109 | 148.9 Ų | 148.9 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -91.5 | 73.4 | 151.1 | -148 | 0 | 0 | 0 | 0 | 108.3 | P92 | P92-S94 PolarHBondContact O-N 3.07Š| ||
| 95 | Q | 48 | Very low | 49.8 | Very low | 175 Ų | 175 | 148.8 Ų | 148.8 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -139 | 76.4 | 154.3 | -78.9 | -161.6 | 10.8 | 0 | 0 | 106.1 | F93 | F93-Q95 VanDerWaalsContact C-N 3.27Å; F93-Q95 PolarHBondContact O-N 3.33Å | ||
| 96 | V | 53.8 | Low | 49 | Very low | 132 Ų | 132 | 153.2 Ų | 153.2 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | trans | -162 | 112.8 | 147.8 | -85.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 97 | S | 43.8 | Very low | 48.3 | Very low | 114 Ų | 114 | 146 Ų | 146 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -56.2 | 140.3 | 172.2 | -55.4 | 0 | 0 | 0 | 0 | 110.5 | T99 | S97-T99 PolarHBondContact O-N 3.37Š| ||
| 98 | P | 47.1 | Very low | 47.9 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -82.1 | 120.1 | 174.7 | 32.4 | -28.1 | 0 | 0 | 0 | 108.5 | ||||
| 99 | T | 53 | Low | 47.7 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -134.1 | 132.5 | 154 | -60.8 | 0 | 0 | 0 | 0 | 107.9 | S97 | S97-T99 PolarHBondContact O-N 3.37Š| ||
| 100 | L | 49.6 | Very low | 47.7 | Very low | 153 Ų | 153 | 145 Ų | 145 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | -53.7 | 159.6 | -176.7 | -71.6 | 143.5 | 0 | 0 | 0 | 113.7 | ||||
| 101 | L | 50.9 | Low | 47.1 | Very low | 175 Ų | 175 | 141.8 Ų | 141.8 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | trans | 86.8 | 137.6 | 155.2 | -106.7 | 73.2 | 0 | 0 | 0 | 119.1 | ||||
| 102 | G | 39.4 | Very low | 46.3 | Very low | 70 Ų | 70 | 137.3 Ų | 137.3 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | 105.9 | 93.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 103 | R | 50.2 | Low | 46 | Very low | 252 Ų | 252 | 143.5 Ų | 143.5 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | 42.5 | 99.9 | 57.3 | -100.1 | -174 | 177.5 | -170.6 | -0.4 | 113.2 | |||||
| 104 | H | 45.7 | Very low | 46.3 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 75% | 0.75 | 79% | 0.787 | S | S | * | * | trans | 83.8 | 105.5 | 136 | -154 | -96.6 | 0 | 0 | 0 | 119 | ||||
| 105 | L | 50.4 | Low | 45.8 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | trans | 20.1 | 111.1 | 137 | -56.4 | 169 | 0 | 0 | 0 | 117.6 | ||||
| 106 | N | 39.5 | Very low | 45.5 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | 166.4 | 144.6 | 113.5 | -96.6 | -9.2 | 0 | 0 | 0 | 111.3 | |||||
| 107 | G | 42.6 | Very low | 44.8 | Very low | 72 Ų | 72 | 142.7 Ų | 142.7 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -83.6 | -160 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 108 | S | 43.5 | Very low | 45 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | 94.2 | 93.7 | 179.6 | -142.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 109 | L | 45.6 | Very low | 44.8 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | 78.6 | 130.6 | 76 | -79.6 | 172 | 0 | 0 | 0 | 114.7 | |||||
| 110 | Y | 45.8 | Very low | 44.2 | Very low | 211 Ų | 211 | 141.6 Ų | 141.6 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | trans | 88.5 | 128.2 | 153.5 | -87.6 | -78 | 0 | 0 | 0 | 121.7 | ||||
| 111 | S | 39.2 | Very low | 43.8 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | 87.8 | 131.4 | 144.7 | -143 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 112 | G | 38.7 | Very low | 43.6 | Very low | 54 Ų | 54 | 136 Ų | 136 | 56% | 0.557 | 76% | 0.758 | S | S | * | * | cis | 175.2 | 142 | 2.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 113 | Y | 45.7 | Very low | 43.7 | Very low | 207 Ų | 207 | 139 Ų | 139 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | 55.9 | 127.2 | 143.4 | -50.1 | -70.6 | 0 | 0 | 0 | 122.8 | ||||
| 114 | T | 48.3 | Very low | 43.2 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | 73.4 | 133.3 | 139.7 | 58.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 115 | N | 41.9 | Very low | 43 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 67% | 0.668 | 76% | 0.758 | S | S | * | * | cis | -179.3 | 157.8 | 22.2 | -117.4 | 4.5 | 0 | 0 | 0 | 110.8 | ||||
| 116 | E | 40.3 | Very low | 42.2 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | 58.8 | 107.8 | 150.5 | 59.7 | -136.5 | 60.6 | 0 | 0 | 125.7 | ||||
| 117 | E | 40.4 | Very low | 42 | Very low | 192 Ų | 192 | 129.8 Ų | 129.8 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | 33.8 | 154.4 | 134.9 | -96.2 | -120.7 | 111.8 | 0 | 0 | 126.6 | ||||
| 118 | P | 48 | Very low | 41.9 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 60% | 0.597 | 77% | 0.768 | S | S | * | * | trans | -112.1 | -179.2 | -160.3 | 44 | -30.3 | 0 | 0 | 0 | 114.1 | ||||
| 119 | L | 42.3 | Very low | 41.6 | Very low | 163 Ų | 163 | 135 Ų | 135 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -166.9 | 144.9 | 156.5 | -102 | 162.6 | 0 | 0 | 0 | 112.3 | ||||
| 120 | S | 40.4 | Very low | 41.3 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | 78.8 | 103.7 | 152.3 | -51.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 121 | S | 41.4 | Very low | 41 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | 92.2 | 121.7 | 65.3 | 71 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 122 | S | 47.1 | Very low | 41.3 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | 96.5 | 127.2 | 139.4 | -58.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 123 | T | 41.5 | Very low | 41.4 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 111.8 | 100.5 | 135.4 | -49.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 124 | A | 38.4 | Very low | 41.6 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | trans | 25.4 | 128.4 | 136.8 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 125 | A | 42.8 | Very low | 41.6 | Very low | 99 Ų | 99 | 125.6 Ų | 125.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -158.4 | 122.7 | 136.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 126 | Q | 33.5 | Very low | 41.9 | Very low | 193 Ų | 193 | 126.3 Ų | 126.3 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -79.9 | 142.2 | 162.3 | -72.6 | 171.1 | 7.6 | 0 | 0 | 109.3 | ||||
| 127 | C | 35.1 | Very low | 42.4 | Very low | 129 Ų | 129 | 123.1 Ų | 123.1 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | trans | -151.1 | 159.5 | 160.3 | -78.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 128 | T | 40.9 | Very low | 42.9 | Very low | 123 Ų | 123 | 118.5 Ų | 118.5 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -120.1 | 150.1 | -147.1 | -52.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 129 | L | 36.7 | Very low | 43.2 | Very low | 172 Ų | 172 | 119.1 Ų | 119.1 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | trans | 37.3 | 134.9 | 158.4 | -83.9 | 91.3 | 0 | 0 | 0 | 121.8 | ||||
| 130 | G | 39 | Very low | 43.6 | Very low | 68 Ų | 68 | 118.8 Ų | 118.8 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | 179.1 | 123.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 131 | A | 40.7 | Very low | 44.3 | Very low | 97 Ų | 97 | 124.2 Ų | 124.2 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -61.7 | 137.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 132 | H | 45.3 | Very low | 44.7 | Very low | 197 Ų | 197 | 125.8 Ų | 125.8 | 91% | 0.912 | 78% | 0.782 | S | S | * | * | trans | -142.5 | 85.4 | 157.9 | -66.4 | -80 | 0 | 0 | 0 | 110.7 | ||||
| 133 | G | 39.7 | Very low | 44.9 | Very low | 73 Ų | 73 | 127.9 Ų | 127.9 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | -102.9 | 146.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 134 | S | 49.3 | Very low | 45.5 | Very low | 129 Ų | 129 | 124.5 Ų | 124.5 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | trans | 90.6 | 73.5 | 171.1 | -146.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 135 | A | 49.9 | Very low | 46.3 | Very low | 83 Ų | 83 | 126 Ų | 126 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -150.4 | 1.2 | 158.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 136 | L | 47.8 | Very low | 46.9 | Very low | 140 Ų | 140 | 124.9 Ų | 124.9 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -103.8 | -1 | -170.9 | -59.7 | -178 | 0 | 0 | 0 | 115.2 | ||
| 137 | A | 51.1 | Low | 47.9 | Very low | 98 Ų | 98 | 123.3 Ų | 123.3 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -80.8 | -15.2 | -171 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 138 | S | 49.8 | Very low | 48.9 | Very low | 95 Ų | 95 | 123.2 Ų | 123.2 | 66% | 0.664 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -94 | -19.9 | -174.3 | 54.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 139 | V | 54.2 | Low | 49.6 | Very low | 105 Ų | 105 | 121 Ų | 121 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -17.9 | -172.5 | -166.2 | 0 | 0 | 0 | 0 | 112.9 | ||
| 140 | F | 52 | Low | 50.6 | Low | 156 Ų | 156 | 116.9 Ų | 116.9 | 68% | 0.684 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -7 | -179.4 | -72.9 | -76.1 | 0 | 0 | 0 | 114.7 | ||
| 141 | R | 53.6 | Low | 51.4 | Low | 214 Ų | 214 | 122.9 Ų | 122.9 | 81% | 0.808 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -29.6 | -177.6 | -157.7 | 163.6 | -170.4 | 155.1 | 1.1 | 113 | ||
| 142 | D | 49.8 | Very low | 52.1 | Low | 135 Ų | 135 | 126.1 Ų | 126.1 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -22.8 | -176.1 | -113.3 | -86.4 | 0 | 0 | 0 | 113.7 | A144 | D142-A144 VanDerWaalsContact C-N 3.33Š|
| 143 | Q | 52.7 | Low | 52.4 | Low | 152 Ų | 152 | 122.5 Ų | 122.5 | 71% | 0.71 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -82.3 | -13.6 | 178.7 | -143.7 | 167.3 | 57.5 | 0 | 0 | 113.3 | ||
| 144 | A | 54.2 | Low | 53 | Low | 60 Ų | 60 | 126.7 Ų | 126.7 | 50% | 0.496 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -75 | -29.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D142 | D142-A144 VanDerWaalsContact C-N 3.33Å |
| 145 | L | 53.5 | Low | 52.9 | Low | 129 Ų | 129 | 127.9 Ų | 127.9 | 68% | 0.675 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -84.6 | -27.7 | -178.8 | -65.6 | 176.1 | 0 | 0 | 0 | 113 | F147 | L145-F147 PolarHBondContact O-N 3.32Å |
| 146 | A | 56.2 | Low | 52.7 | Low | 75 Ų | 75 | 134.1 Ų | 134.1 | 62% | 0.62 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -73.3 | -25.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 147 | F | 53.9 | Low | 52.5 | Low | 159 Ų | 159 | 132.6 Ų | 132.6 | 70% | 0.697 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -86.1 | -23.4 | -180 | -163.1 | -101.3 | 0 | 0 | 0 | 113.2 | L145 | L145-F147 PolarHBondContact O-N 3.32Å |
| 148 | E | 56.2 | Low | 52.6 | Low | 128 Ų | 128 | 134.1 Ų | 134.1 | 60% | 0.598 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -78 | -29.4 | 177.7 | -168.6 | 145 | -160.2 | 0 | 0 | 112.3 | S150 R151 | E148-S150 VanDerWaalsContact C-N 3.27Å; E148-S150 PolarHBondContact O-N 3.26Å; E148-R151 PolarHBondContact O-N 3.07Å |
| 149 | A | 56.6 | Low | 52.3 | Low | 76 Ų | 76 | 140 Ų | 140 | 63% | 0.628 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -20.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 150 | S | 56.1 | Low | 51.7 | Low | 86 Ų | 86 | 140.8 Ų | 140.8 | 60% | 0.601 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -14.8 | -178.4 | -156.5 | 0 | 0 | 0 | 0 | 113.6 | E148 | E148-S150 VanDerWaalsContact C-N 3.27Å; E148-S150 PolarHBondContact O-N 3.26Å |
| 151 | R | 56.7 | Low | 51.2 | Low | 193 Ų | 193 | 142.1 Ų | 142.1 | 73% | 0.728 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -15.4 | -177.8 | -66.9 | -164.1 | 70.2 | 125.8 | 2.7 | 114.6 | E148 N153 | E148-R151 PolarHBondContact O-N 3.07Å; R151-N153 VanDerWaalsContact C-N 3.35Å |
| 152 | Q | 56 | Low | 50.9 | Low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -6.7 | -178.7 | -64.9 | -173.2 | -6 | 0 | 0 | 114 | ||
| 153 | N | 51.8 | Low | 50.3 | Low | 121 Ų | 121 | 138.8 Ų | 138.8 | 65% | 0.647 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -94.1 | -20.7 | -175 | -144.7 | -78.2 | 0 | 0 | 0 | 114.5 | R151 N155 | R151-N153 VanDerWaalsContact C-N 3.35Å; N153-N155 PolarHBondContact O-N 3.47Å |
| 154 | L | 51.6 | Low | 49.8 | Very low | 162 Ų | 162 | 136.1 Ų | 136.1 | 85% | 0.848 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 3 | -175.7 | -80.7 | 140.9 | 0 | 0 | 0 | 115.1 | ||
| 155 | N | 48.2 | Very low | 49.4 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 18.5 | 175.4 | -139.3 | 18 | 0 | 0 | 0 | 113.1 | N153 S157 | N153-N155 PolarHBondContact O-N 3.47Å; N155-S157 PolarHBondContact O-N 3.38Å |
| 156 | R | 45.6 | Very low | 48.8 | Very low | 213 Ų | 213 | 143.3 Ų | 143.3 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -89.7 | 94.9 | 176.9 | -144.1 | 178.1 | -167.3 | -164.5 | 3 | 109.1 | ||||
| 157 | S | 42 | Very low | 48.3 | Very low | 108 Ų | 108 | 150.9 Ų | 150.9 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -53 | 128.5 | 170.8 | -70.3 | 0 | 0 | 0 | 0 | 111.2 | N155 | N155-S157 PolarHBondContact O-N 3.38Š|
| 158 | P | 53.4 | Low | 47.9 | Very low | 131 Ų | 131 | 149.7 Ų | 149.7 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 119.2 | 158.7 | 30.5 | -22.1 | 0 | 0 | 0 | 108.7 | ||
| 159 | R | 44.6 | Very low | 47.2 | Very low | 217 Ų | 217 | 147 Ų | 147 | 82% | 0.819 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 148.2 | 169 | -100.9 | -158.8 | -177.4 | -146.2 | 2.7 | 109.4 | ||
| 160 | L | 40.5 | Very low | 46.8 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | trans | 96.7 | 113 | 146.1 | -60.7 | 148.1 | 0 | 0 | 0 | 120.8 | ||||
| 161 | F | 41.8 | Very low | 46.1 | Very low | 185 Ų | 185 | 148.8 Ų | 148.8 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | 75.4 | 158.6 | 129.9 | -70 | -45.8 | 0 | 0 | 0 | 121.5 | |||||
| 162 | P | 47 | Very low | 45.9 | Very low | 105 Ų | 105 | 151.7 Ų | 151.7 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | -138 | -172.8 | -62 | 35.5 | -14.8 | 0 | 0 | 0 | 112.3 | |||||
| 163 | E | 38.4 | Very low | 45.4 | Very low | 174 Ų | 174 | 147.5 Ų | 147.5 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | 130.1 | 122.6 | 136.7 | -160.3 | 144.7 | 113.4 | 0 | 0 | 118.3 | ||||
| 164 | S | 41.2 | Very low | 45.4 | Very low | 96 Ų | 96 | 147.1 Ų | 147.1 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | trans | 62.2 | 107.9 | 149.3 | -68.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 165 | S | 45.2 | Very low | 45.4 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | 173.7 | 111 | 103.5 | -78.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 166 | R | 41.4 | Very low | 45.4 | Very low | 229 Ų | 229 | 143.3 Ų | 143.3 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | 27.6 | 120.2 | 135.5 | -50.2 | -176.8 | -167.9 | 171.2 | 4.3 | 118.7 | ||||
| 167 | Y | 45.5 | Very low | 45.9 | Very low | 233 Ų | 233 | 137.5 Ų | 137.5 | 91% | 0.914 | 77% | 0.771 | S | S | * | * | -158.5 | 154.4 | 124.8 | -98.9 | -75.7 | 0 | 0 | 0 | 109.9 | |||||
| 168 | T | 46.1 | Very low | 46.3 | Very low | 135 Ų | 135 | 138 Ų | 138 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | trans | -95.8 | 157 | -147.9 | 49.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 169 | G | 41.6 | Very low | 45.8 | Very low | 71 Ų | 71 | 138.5 Ų | 138.5 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | trans | 128.6 | 87 | 159 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 170 | S | 47.9 | Very low | 46.2 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 96% | 0.958 | 77% | 0.765 | S | S | * | * | 62.3 | 116.2 | 91.1 | -150.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 171 | G | 41.8 | Very low | 46.5 | Very low | 63 Ų | 63 | 134.3 Ų | 134.3 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | cis | -179.3 | 172.3 | 2.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 172 | R | 51.5 | Low | 46.6 | Very low | 253 Ų | 253 | 130.3 Ų | 130.3 | 96% | 0.955 | 76% | 0.762 | S | S | * | * | trans | 52.1 | 134.5 | 141.2 | -67.9 | 179.9 | 163.8 | -168.3 | -6.1 | 118.6 | ||||
| 173 | A | 46.3 | Very low | 46.6 | Very low | 78 Ų | 78 | 129.8 Ų | 129.8 | 65% | 0.645 | 76% | 0.761 | S | S | * | * | cis | -177 | 153.4 | 2.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 174 | S | 50.9 | Low | 46.9 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | 66.6 | 144.3 | 137.8 | -61.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 175 | S | 52.7 | Low | 46.8 | Very low | 88 Ų | 88 | 129.8 Ų | 129.8 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | cis | 172.3 | 160.1 | -5.3 | 45.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 176 | N | 48.1 | Very low | 46.7 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | 76.8 | 148.8 | 155.8 | -64.6 | 3.7 | 0 | 0 | 0 | 116.7 | ||||
| 177 | S | 55 | Low | 46.8 | Very low | 91 Ų | 91 | 124.7 Ų | 124.7 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | cis | 174.8 | 151.2 | -10.3 | 59.1 | 0 | 0 | 0 | 0 | 101.9 | ||||
| 178 | T | 50.8 | Low | 46.1 | Very low | 118 Ų | 118 | 122.3 Ų | 122.3 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | 158.6 | 121.8 | 64.7 | 13.1 | 0 | 0 | 0 | 0 | 101.6 | |||||
| 179 | D | 42.5 | Very low | 46 | Very low | 141 Ų | 141 | 121.6 Ų | 121.6 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | 77 | 148.8 | 80.3 | -117.8 | -39.9 | 0 | 0 | 0 | 115.8 | |||||
| 180 | S | 53.3 | Low | 45.8 | Very low | 116 Ų | 116 | 122 Ų | 122 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | trans | 105.4 | 89.5 | -177.5 | -45.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 181 | D | 46.7 | Very low | 45.5 | Very low | 136 Ų | 136 | 124.3 Ų | 124.3 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | cis | 93.8 | 136.9 | 32.4 | -144.4 | -0.3 | 0 | 0 | 0 | 114.2 | ||||
| 182 | C | 44.5 | Very low | 45.3 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 68% | 0.676 | 75% | 0.75 | S | S | * | * | trans | 70.3 | 143.3 | 162.2 | -59 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 183 | S | 47.9 | Very low | 44.9 | Very low | 94 Ų | 94 | 120 Ų | 120 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | cis | -179.5 | 141.1 | -1.5 | -99.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 184 | V | 44 | Very low | 44.4 | Very low | 122 Ų | 122 | 123.3 Ų | 123.3 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | trans | 58.7 | 123.8 | 132 | -168.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 185 | N | 39 | Very low | 44.1 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | -174.4 | 168.1 | 59.9 | -145.3 | -4 | 0 | 0 | 0 | 112.8 | |||||
| 186 | V | 43.5 | Very low | 43.2 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -98.2 | -165.4 | -159.6 | -150.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 187 | P | 42.3 | Very low | 42.8 | Very low | 110 Ų | 110 | 128.8 Ų | 128.8 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | -121.7 | -172.7 | -99.5 | 40 | -21.7 | 0 | 0 | 0 | 116.6 | |||||
| 188 | F | 32.2 | Very low | 42.2 | Very low | 183 Ų | 183 | 130.9 Ų | 130.9 | 80% | 0.803 | 77% | 0.772 | S | S | * | * | trans | 74.9 | 117.1 | 141.9 | -157.6 | -94.7 | 0 | 0 | 0 | 119.2 | ||||
| 189 | S | 43.3 | Very low | 41.6 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | -171.4 | 147 | 128.6 | -82.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 190 | A | 37 | Very low | 41.6 | Very low | 80 Ų | 80 | 131.7 Ų | 131.7 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | trans | -93.3 | -176.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 191 | Q | 42.2 | Very low | 40.6 | Very low | 185 Ų | 185 | 129.6 Ų | 129.6 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | trans | 94.6 | 105.3 | 162.7 | -61.6 | 178.7 | 22 | 0 | 0 | 115.6 | ||||
| 192 | S | 36.9 | Very low | 40.4 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | 79.9 | 109 | 78.8 | -91.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 193 | S | 43.9 | Very low | 39.8 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | 172.6 | 120.4 | 121 | -85.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 194 | N | 36.1 | Very low | 39.6 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | 51.3 | 119.6 | 132.5 | -60.8 | -17 | 0 | 0 | 0 | 121.1 | ||||
| 195 | R | 43.8 | Very low | 39 | Very low | 244 Ų | 244 | 131.5 Ų | 131.5 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | -172.7 | 142.8 | 104.6 | -100 | 167.4 | 171.9 | -122.1 | -1.8 | 113.1 | |||||
| 196 | P | 35.1 | Very low | 39.5 | Very low | 126 Ų | 126 | 132 Ų | 132 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -103.2 | 153.7 | -178.3 | 38.3 | -30.1 | 0 | 0 | 0 | 112.9 | ||||
| 197 | A | 39.1 | Very low | 39.3 | Very low | 94 Ų | 94 | 132.9 Ų | 132.9 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | -159.7 | 111.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 198 | V | 42.1 | Very low | 39 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 21.7 | 126.2 | 142.6 | 75.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 199 | E | 38.8 | Very low | 39.3 | Very low | 171 Ų | 171 | 131.7 Ų | 131.7 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | 169.1 | 122.4 | 113.7 | -167.5 | 163.6 | 154.8 | 0 | 0 | 113.1 | |||||
| 200 | S | 42.7 | Very low | 39.2 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | 61.6 | 100.3 | 147.4 | -57 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 201 | G | 31.5 | Very low | 39.4 | Very low | 72 Ų | 72 | 142.1 Ų | 142.1 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | 72.9 | 102.7 | 108.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 202 | I | 42.6 | Very low | 39.4 | Very low | 172 Ų | 172 | 141 Ų | 141 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | 171.1 | 110 | 109.5 | -78.2 | 154.2 | 0 | 0 | 0 | 106.8 | |||||
| 203 | G | 31.4 | Very low | 39.9 | Very low | 70 Ų | 70 | 142.3 Ų | 142.3 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | -90.5 | 149.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 204 | T | 42.9 | Very low | 39.8 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -142.6 | 118.7 | 147 | 15.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 205 | S | 33.1 | Very low | 40 | Very low | 103 Ų | 103 | 145 Ų | 145 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | -80.6 | 130.9 | 174.8 | 175.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 206 | I | 49.8 | Very low | 40.1 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 82% | 0.815 | 81% | 0.814 | S | S | * | * | trans | -145.7 | 100.2 | 150.3 | 48.8 | 169.4 | 0 | 0 | 0 | 111.1 | ||||
| 207 | N | 38.6 | Very low | 40.7 | Very low | 143 Ų | 143 | 144.4 Ų | 144.4 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | trans | 46.7 | 114.4 | 133.3 | -60.7 | -26.4 | 0 | 0 | 0 | 120.3 | Q209 | N207-Q209 PolarHBondContact O-N 2.79Š| ||
| 208 | G | 35.5 | Very low | 41.3 | Very low | 80 Ų | 80 | 147.4 Ų | 147.4 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -66.9 | 120.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 209 | Q | 38 | Very low | 41.8 | Very low | 187 Ų | 187 | 144.4 Ų | 144.4 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | 177.2 | 81.7 | 158.8 | -100.4 | 179 | -2.8 | 0 | 0 | 105.2 | N207 | N207-Q209 PolarHBondContact O-N 2.79Š| ||
| 210 | E | 41 | Very low | 42.6 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -163.2 | 45.3 | 159.6 | -73.7 | -134.2 | 133.4 | 0 | 0 | 111.6 | L212 | E210-L212 PolarHBondContact O-N 3.4Š| ||
| 211 | R | 41.1 | Very low | 43.2 | Very low | 248 Ų | 248 | 137.1 Ų | 137.1 | 94% | 0.936 | 76% | 0.76 | S | S | * | * | trans | -81.5 | 24 | 175 | -161.4 | -177.7 | 158.9 | 162.3 | -4 | 113.3 | ||||
| 212 | L | 42.9 | Very low | 44.4 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | trans | -145.7 | 49.2 | -170.1 | -72.5 | 174.2 | 0 | 0 | 0 | 113.8 | E210 | E210-L212 PolarHBondContact O-N 3.4Š| ||
| 213 | L | 46.9 | Very low | 45.2 | Very low | 143 Ų | 143 | 135 Ų | 135 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | trans | -140.3 | 35.5 | 166.1 | -70.1 | 177.5 | 0 | 0 | 0 | 112.8 | N215 | L213-N215 PolarHBondContact O-N 3.21Š| ||
| 214 | N | 42 | Very low | 46.4 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 85% | 0.845 | 73% | 0.726 | S | S | * | * | trans | -89.5 | 86.3 | 166.6 | -86.1 | 18.7 | 0 | 0 | 0 | 109.2 | ||||
| 215 | N | 41.5 | Very low | 47.1 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 83% | 0.834 | 71% | 0.709 | S | S | * | * | trans | -160.9 | 42.2 | 160.1 | -108.8 | 7.9 | 0 | 0 | 0 | 114.7 | L213 | L213-N215 PolarHBondContact O-N 3.21Š| ||
| 216 | R | 46 | Very low | 48.3 | Very low | 240 Ų | 240 | 138.9 Ų | 138.9 | 91% | 0.906 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -147.8 | 82.5 | 159.4 | -139.3 | 174.7 | -171.5 | 173.2 | 3 | 107.9 | M218 | R216-M218 VanDerWaalsContact C-N 3.27Å; R216-M218 PolarHBondContact O-N 3.04Å |
| 217 | V | 46.4 | Very low | 48.5 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 71% | 0.709 | 70% | 0.697 | S | S | * | * | trans | -67.7 | 85.9 | -174.5 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 218 | M | 52.3 | Low | 49.2 | Very low | 158 Ų | 158 | 142.5 Ų | 142.5 | 78% | 0.778 | 71% | 0.706 | S | S | * | * | trans | -72.9 | 137.6 | 146 | -73.7 | -77.6 | 138.7 | 0 | 0 | 106.3 | R216 T220 | R216-M218 VanDerWaalsContact C-N 3.27Å; R216-M218 PolarHBondContact O-N 3.04Å; M218-T220 PolarHBondContact O-N 3.41Å | ||
| 219 | P | 52.1 | Low | 49.7 | Very low | 71 Ų | 71 | 143.4 Ų | 143.4 | 46% | 0.461 | 70% | 0.696 | S | S | . | * | trans | -55.8 | 118.9 | 172.7 | 22.6 | -30.7 | 0 | 0 | 0 | 108.5 | A221 I248 | P219-A221 PolarHBondContact O-N 3.09Å; P219-A221 VanDerWaalsContact O-N 3.09Å; P219-I248 HydrophobicContact CB-CB 4.44Å; P219-I248 HydrophobicContact CB-CG1 3.95Å; P219-I248 HydrophobicContact CB-CG2 4.18Å | ||
| 220 | T | 56.5 | Low | 49.8 | Very low | 73 Ų | 73 | 141.4 Ų | 141.4 | 45% | 0.448 | 70% | 0.696 | S | S | . | * | trans | -74.1 | 100 | 178.6 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | M218 H222 | M218-T220 PolarHBondContact O-N 3.41Å; T220-H222 WeakPolarHBondContact CG2-NE2 3.46Å; T220-H222 PolarHBondContact O-N 3.12Å; T220-H222 PolarHBondContact OG1-CE1 3.36Å; T220-H222 PolarHBondContact OG1-NE2 3.24Å | ||
| 221 | A | 55.2 | Low | 49.9 | Very low | 50 Ų | 50 | 139.5 Ų | 139.5 | 41% | 0.413 | 70% | 0.697 | S | S | . | * | trans | -81 | 97.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | P219 I223 M246 | P219-A221 PolarHBondContact O-N 3.09Å; P219-A221 VanDerWaalsContact O-N 3.09Å; A221-I223 VanDerWaalsContact C-N 3.34Å; A221-I223 HydrophobicContact CB-CG1 4.35Å; A221-I223 PolarHBondContact O-N 3.27Å; A221-I223 VanDerWaalsContact O-N 3.16Å; A221-M246 HydrophobicContact CB-CE 4.1Å; A221-M246 HydrophobicContact CB-CG 4.32Å | ||
| 222 | H | 56 | Low | 50 | Low | 98 Ų | 98 | 132.9 Ų | 132.9 | 45% | 0.454 | 69% | 0.688 | S | S | . | * | trans | -83.3 | 78.4 | 170 | -60.3 | -66 | 0 | 0 | 0 | 110.1 | T220 R224 S245 | T220-H222 WeakPolarHBondContact CG2-NE2 3.46Å; T220-H222 PolarHBondContact O-N 3.12Å; T220-H222 PolarHBondContact OG1-CE1 3.36Å; T220-H222 PolarHBondContact OG1-NE2 3.24Å; H222-R224 PolarHBondContact O-N 2.96Å; H222-R224 VanDerWaalsContact O-N 3.16Å; H222-S245 VanDerWaalsContact O-O 3.05Å | ||
| 223 | I | 59.4 | Low | 49.8 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 53% | 0.528 | 69% | 0.689 | S | S | . | * | trans | -72.2 | 109.7 | 178.7 | -56.6 | 172.7 | 0 | 0 | 0 | 108.8 | A221 V225 V244 | A221-I223 VanDerWaalsContact C-N 3.34Å; A221-I223 HydrophobicContact CB-CG1 4.35Å; A221-I223 PolarHBondContact O-N 3.27Å; A221-I223 VanDerWaalsContact O-N 3.16Å; I223-V225 HydrophobicContact CG2-CG2 4.17Å; I223-V244 HydrophobicContact CG2-CG1 4.45Å | ||
| 224 | R | 56.5 | Low | 49.5 | Very low | 168 Ų | 168 | 131.1 Ų | 131.1 | 63% | 0.634 | 70% | 0.695 | S | S | * | * | trans | -100.4 | 111.2 | 170.5 | -67.7 | -179 | 179.4 | -107.5 | 1.6 | 109.3 | H222 F226 | H222-R224 PolarHBondContact O-N 2.96Å; H222-R224 VanDerWaalsContact O-N 3.16Å; R224-F226 HydrophobicContact CB-CD2 4.33Å; R224-F226 HydrophobicContact CB-CE2 3.69Å; R224-F226 HydrophobicContact CB-CZ 4.27Å | ||
| 225 | V | 58.4 | Low | 49.6 | Very low | 92 Ų | 92 | 132.1 Ų | 132.1 | 56% | 0.558 | 69% | 0.694 | S | S | * | * | trans | -86.2 | 117.6 | 177 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | I223 L242 | I223-V225 HydrophobicContact CG2-CG2 4.17Å; V225-L242 HydrophobicContact CB-CD1 4.42Å; V225-L242 HydrophobicContact CG1-CD1 3.85Å; V225-L242 HydrophobicContact CG2-CD1 4.34Å | ||
| 226 | F | 58.6 | Low | 49.9 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 62% | 0.618 | 69% | 0.69 | S | S | * | * | trans | -109.4 | 91.8 | 172.4 | -66.9 | -84.3 | 0 | 0 | 0 | 109.3 | R224 R228 | R224-F226 HydrophobicContact CB-CD2 4.33Å; R224-F226 HydrophobicContact CB-CE2 3.69Å; R224-F226 HydrophobicContact CB-CZ 4.27Å; F226-R228 PolarHBondContact O-N 3.33Å | ||
| 227 | N | 52.9 | Low | 49.8 | Very low | 125 Ų | 125 | 124 Ų | 124 | 67% | 0.668 | 68% | 0.679 | S | S | * | * | trans | -78.9 | 96.1 | 165.3 | -114.2 | 41.4 | 0 | 0 | 0 | 107.8 | T229 | N227-T229 PolarHBondContact O-N 2.9Å; N227-T229 VanDerWaalsContact O-N 3.11Å | ||
| 228 | R | 54.8 | Low | 50.1 | Low | 252 Ų | 252 | 123.3 Ų | 123.3 | 95% | 0.951 | 68% | 0.675 | S | S | * | * | trans | -78.6 | 82.6 | 161.5 | -100 | -172.9 | -169.1 | -135.8 | 2.6 | 107.8 | F226 | F226-R228 PolarHBondContact O-N 3.33Š| ||
| 229 | T | 45.4 | Very low | 50.5 | Low | 100 Ų | 100 | 123.1 Ų | 123.1 | 61% | 0.613 | 67% | 0.672 | S | S | * | * | trans | -106.4 | 92 | 164 | 50.5 | 0 | 0 | 0 | 0 | 107.8 | N227 | N227-T229 PolarHBondContact O-N 2.9Å; N227-T229 VanDerWaalsContact O-N 3.11Å | ||
| 230 | V | 40 | Very low | 51.2 | Low | 144 Ų | 144 | 124.5 Ų | 124.5 | 87% | 0.873 | 68% | 0.676 | S | S | * | * | trans | 176.5 | 106 | 144.9 | -96.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 231 | T | 42.3 | Very low | 51.9 | Low | 133 Ų | 133 | 123.6 Ų | 123.6 | 82% | 0.816 | 67% | 0.673 | S | S | * | * | trans | -141 | 126.4 | 143.1 | 47.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 232 | S | 43.3 | Very low | 52.9 | Low | 108 Ų | 108 | 124 Ų | 124 | 76% | 0.755 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -42.7 | 140.8 | 164.1 | 44.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 233 | E | 38.4 | Very low | 54.1 | Low | 182 Ų | 182 | 122 Ų | 122 | 85% | 0.85 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 89.4 | 79.1 | 174.9 | -43.4 | -143.8 | 157.8 | 0 | 0 | 116.2 | H235 | E233-H235 VanDerWaalsContact C-N 3.26Å; E233-H235 PolarHBondContact O-N 3.2Å |
| 234 | G | 40.6 | Very low | 55 | Low | 85 Ų | 85 | 118 Ų | 118 | 88% | 0.876 | 64% | 0.642 | S | S | * | * | 62.4 | -1.3 | 123.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 235 | H | 44.6 | Very low | 56.2 | Low | 179 Ų | 179 | 111.1 Ų | 111.1 | 83% | 0.829 | 62% | 0.62 | S | S | * | * | trans | -109.7 | 115 | 177.5 | -107.6 | 63.6 | 0 | 0 | 0 | 110.7 | E233 A237 | E233-H235 VanDerWaalsContact C-N 3.26Å; E233-H235 PolarHBondContact O-N 3.2Å; H235-A237 VanDerWaalsContact C-N 3.26Å; H235-A237 PolarHBondContact O-N 3.05Å | ||
| 236 | L | 47.4 | Very low | 57.3 | Low | 142 Ų | 142 | 110.1 Ų | 110.1 | 74% | 0.743 | 61% | 0.61 | S | S | * | * | trans | -57.1 | 84.5 | 175.5 | -64.7 | 167.9 | 0 | 0 | 0 | 110.4 | V238 | L236-V238 PolarHBondContact O-N 3.16Š| ||
| 237 | A | 45.1 | Very low | 58.6 | Low | 83 Ų | 83 | 106.9 Ų | 106.9 | 69% | 0.686 | 60% | 0.597 | S | S | * | * | trans | -75.7 | 87.1 | 177 | 0 | 0 | 0 | 0 | 0 | 109.3 | H235 E239 | H235-A237 VanDerWaalsContact C-N 3.26Å; H235-A237 PolarHBondContact O-N 3.05Å; A237-E239 PolarHBondContact O-N 2.98Å | ||
| 238 | V | 53.3 | Low | 60.1 | Low | 103 Ų | 103 | 103.5 Ų | 103.5 | 62% | 0.624 | 58% | 0.578 | S | S | * | * | trans | 38.1 | 63.9 | 162.2 | -163.3 | 0 | 0 | 0 | 0 | 114.2 | L236 N240 | L236-V238 PolarHBondContact O-N 3.16Å; V238-N240 PolarHBondContact O-N 3.01Å | ||
| 239 | E | 59.9 | Low | 61.7 | Low | 153 Ų | 153 | 98.1 Ų | 98.1 | 72% | 0.715 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -1.2 | -168.8 | -63.8 | -174.6 | 159.8 | 0 | 0 | 116 | A237 | A237-E239 PolarHBondContact O-N 2.98Š|
| 240 | N | 67 | Low | 63.5 | Low | 100 Ų | 100 | 96.5 Ų | 96.5 | 54% | 0.535 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117.4 | 27.7 | -172.6 | -70.7 | 22.2 | 0 | 0 | 0 | 113.5 | V238 F258 A259 | V238-N240 PolarHBondContact O-N 3.01Å; N240-F258 WeakPolarHBondContact O-CA 3.24Å; N240-A259 HydrophobicContact CB-CB 4.19Å; N240-A259 PolarHBondContact O-N 3.47Å |
| 241 | S | 71.2 | Confident | 65.5 | Low | 55 Ų | 55 | 93 Ų | 93 | 39% | 0.385 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.8 | 136.2 | -178.2 | 74.4 | 0 | 0 | 0 | 0 | 113.5 | L257 | S241-L257 CarbonylContact C-O 3.58Å; S241-L257 VanDerWaalsContact CA-O 3.24Å; S241-L257 WeakPolarHBondContact CA-O 3.36Å |
| 242 | L | 76.3 | Confident | 67.6 | Low | 58 Ų | 58 | 93.1 Ų | 93.1 | 30% | 0.304 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 115.2 | 178.1 | 173.6 | 66.1 | 0 | 0 | 0 | 109.8 | V225 V244 V256 L257 | V225-L242 HydrophobicContact CB-CD1 4.42Å; V225-L242 HydrophobicContact CG1-CD1 3.85Å; V225-L242 HydrophobicContact CG2-CD1 4.34Å; L242-V244 HydrophobicContact CD2-CG2 3.96Å; L242-V244 HydrophobicContact CG-CG2 3.84Å; L242-V244 PolarHBondContact O-N 3.03Å; L242-V256 CarbonylContact O-C 3.5Å; L242-V256 WeakPolarHBondContact O-CA 3.41Å; L242-L257 HydrophobicContact CB-CB 4.33Å; L242-L257 HydrophobicContact CD2-CD1 4.39Å; L242-L257 PolarHBondContact N-O 2.84Å; L242-L257 PolarHBondContact O-N 2.85Å |
| 243 | V | 79.9 | Confident | 69.7 | Low | 55 Ų | 55 | 93.9 Ų | 93.9 | 33% | 0.333 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 126.1 | 172 | -175 | 0 | 0 | 0 | 0 | 109.1 | Q254 G255 V256 | V243-Q254 HydrophobicContact CG1-CG 4.25Å; V243-G255 CarbonylContact C-O 3.57Å; V243-G255 WeakPolarHBondContact CA-O 3.46Å; V243-V256 HydrophobicContact CG2-CG2 4.31Å |
| 244 | V | 79 | Confident | 71.9 | Confident | 19 Ų | 19 | 92.6 Ų | 92.6 | 12% | 0.115 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.9 | 180 | -180 | 0 | 0 | 0 | 0 | 109.7 | I223 L242 Q254 G255 L257 | I223-V244 HydrophobicContact CG2-CG1 4.45Å; L242-V244 HydrophobicContact CD2-CG2 3.96Å; L242-V244 HydrophobicContact CG-CG2 3.84Å; L242-V244 PolarHBondContact O-N 3.03Å; V244-Q254 CarbonylContact O-C 3.58Å; V244-Q254 WeakPolarHBondContact O-CA 3.36Å; V244-G255 PolarHBondContact N-O 2.82Å; V244-G255 PolarHBondContact O-N 3.3Å; V244-L257 HydrophobicContact CG2-CD1 3.56Å; V244-L257 HydrophobicContact CG2-CG 3.77Å |
| 245 | S | 81.1 | Confident | 74.1 | Confident | 25 Ų | 25 | 90.3 Ų | 90.3 | 18% | 0.175 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 142.9 | 165.7 | 51.3 | 0 | 0 | 0 | 0 | 110.6 | H222 Y253 | H222-S245 VanDerWaalsContact O-O 3.05Å; S245-Y253 CarbonylContact C-O 3.5Å; S245-Y253 VanDerWaalsContact CA-O 3.26Å; S245-Y253 WeakPolarHBondContact CA-O 3.41Å |
| 246 | M | 83.5 | Confident | 76 | Confident | 70 Ų | 70 | 85.2 Ų | 85.2 | 35% | 0.345 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 136.8 | -179.3 | -177.4 | 178.8 | -64.6 | 0 | 0 | 109.4 | A221 I248 Y253 | A221-M246 HydrophobicContact CB-CE 4.1Å; A221-M246 HydrophobicContact CB-CG 4.32Å; M246-I248 HydrophobicContact CG-CD1 4.31Å; M246-I248 HydrophobicContact CG-CG1 3.97Å; M246-I248 HydrophobicContact SD-CD1 3.73Å; M246-I248 HydrophobicContact SD-CG1 4.01Å; M246-Y253 PolarHBondContact N-O 3.3Å; M246-Y253 PolarHBondContact O-N 3.16Å |
| 247 | E | 85.3 | Confident | 77.8 | Confident | 73 Ų | 73 | 83.2 Ų | 83.2 | 34% | 0.341 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.7 | 177 | -168.5 | -179.1 | 161.5 | 0 | 0 | 110.2 | T251 | E247-T251 WeakPolarHBondContact CA-O 3.39Å |
| 248 | I | 83.8 | Confident | 79.6 | Confident | 54 Ų | 54 | 86.3 Ų | 86.3 | 28% | 0.277 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 122.5 | 179.1 | -52 | 177.6 | 0 | 0 | 0 | 108.1 | P219 M246 G250 T251 Y253 | P219-I248 HydrophobicContact CB-CB 4.44Å; P219-I248 HydrophobicContact CB-CG1 3.95Å; P219-I248 HydrophobicContact CB-CG2 4.18Å; M246-I248 HydrophobicContact CG-CD1 4.31Å; M246-I248 HydrophobicContact CG-CG1 3.97Å; M246-I248 HydrophobicContact SD-CD1 3.73Å; M246-I248 HydrophobicContact SD-CG1 4.01Å; I248-G250 PolarHBondContact O-N 3Å; I248-T251 PolarHBondContact N-O 2.75Å; I248-T251 WeakPolarHBondContact O-CB 3.42Å; I248-T251 PolarHBondContact O-N 2.93Å; I248-Y253 HydrophobicContact CB-CD2 4.27Å; I248-Y253 HydrophobicContact CB-CE2 3.89Å; I248-Y253 HydrophobicContact CD1-CD2 4.35Å; I248-Y253 HydrophobicContact CD1-CE2 4.39Å; I248-Y253 HydrophobicContact CG1-CD2 4.22Å; I248-Y253 HydrophobicContact CG1-CE2 4.29Å |
| 249 | N | 88.8 | Confident | 80.7 | Confident | 140 Ų | 140 | 84.5 Ų | 84.5 | 75% | 0.749 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 39.2 | 178.9 | -57.8 | -26 | 0 | 0 | 0 | 113.4 | T251 | N249-T251 PolarHBondContact O-N 2.81Š|
| 250 | G | 82.9 | Confident | 81.4 | Confident | 65 Ų | 65 | 85.8 Ų | 85.8 | 67% | 0.67 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 7.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | I248 | I248-G250 PolarHBondContact O-N 3Š|
| 251 | T | 82.5 | Confident | 81.5 | Confident | 71 Ų | 71 | 86.7 Ų | 86.7 | 44% | 0.436 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125.9 | 173.3 | -53.8 | 0 | 0 | 0 | 0 | 109.6 | E247 I248 N249 Y253 | E247-T251 WeakPolarHBondContact CA-O 3.39Å; I248-T251 PolarHBondContact N-O 2.75Å; I248-T251 WeakPolarHBondContact O-CB 3.42Å; I248-T251 PolarHBondContact O-N 2.93Å; N249-T251 PolarHBondContact O-N 2.81Å; T251-Y253 HydrophobicContact CG2-CD2 4.41Å; T251-Y253 HydrophobicContact CG2-CE1 4.47Å; T251-Y253 HydrophobicContact CG2-CE2 3.73Å; T251-Y253 VanDerWaalsContact O-CD2 3.28Å; T251-Y253 WeakPolarHBondContact O-CD2 3.28Å; T251-Y253 WeakPolarHBondContact O-CE2 3.26Å |
| 252 | M | 85.7 | Confident | 81.4 | Confident | 135 Ų | 135 | 90.1 Ų | 90.1 | 67% | 0.665 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 122.6 | 175.9 | -175.1 | 169.1 | -68.7 | 0 | 0 | 110.4 | ||
| 253 | Y | 87.1 | Confident | 80.6 | Confident | 124 Ų | 124 | 92.8 Ų | 92.8 | 49% | 0.486 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 134.6 | 173.4 | -62.9 | -92.4 | 0 | 0 | 0 | 108.6 | S245 M246 I248 T251 | S245-Y253 CarbonylContact C-O 3.5Å; S245-Y253 VanDerWaalsContact CA-O 3.26Å; S245-Y253 WeakPolarHBondContact CA-O 3.41Å; M246-Y253 PolarHBondContact N-O 3.3Å; M246-Y253 PolarHBondContact O-N 3.16Å; I248-Y253 HydrophobicContact CB-CD2 4.27Å; I248-Y253 HydrophobicContact CB-CE2 3.89Å; I248-Y253 HydrophobicContact CD1-CD2 4.35Å; I248-Y253 HydrophobicContact CD1-CE2 4.39Å; I248-Y253 HydrophobicContact CG1-CD2 4.22Å; I248-Y253 HydrophobicContact CG1-CE2 4.29Å; T251-Y253 HydrophobicContact CG2-CD2 4.41Å; T251-Y253 HydrophobicContact CG2-CE1 4.47Å; T251-Y253 HydrophobicContact CG2-CE2 3.73Å; T251-Y253 VanDerWaalsContact O-CD2 3.28Å; T251-Y253 WeakPolarHBondContact O-CD2 3.28Å; T251-Y253 WeakPolarHBondContact O-CE2 3.26Å |
| 254 | Q | 86 | Confident | 79.5 | Confident | 155 Ų | 155 | 95.6 Ų | 95.6 | 72% | 0.724 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 136.8 | 173.8 | -174.8 | 176.2 | -13.5 | 0 | 0 | 109 | V243 V244 | V243-Q254 HydrophobicContact CG1-CG 4.25Å; V244-Q254 CarbonylContact O-C 3.58Å; V244-Q254 WeakPolarHBondContact O-CA 3.36Å |
| 255 | G | 86.5 | Confident | 78.3 | Confident | 37 Ų | 37 | 105.9 Ų | 105.9 | 38% | 0.381 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -149.5 | 172.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V243 V244 | V243-G255 CarbonylContact C-O 3.57Å; V243-G255 WeakPolarHBondContact CA-O 3.46Å; V244-G255 PolarHBondContact N-O 2.82Å; V244-G255 PolarHBondContact O-N 3.3Å |
| 256 | V | 84.7 | Confident | 77.3 | Confident | 72 Ų | 72 | 112.4 Ų | 112.4 | 44% | 0.436 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.8 | 120.8 | 173.9 | -174.9 | 0 | 0 | 0 | 0 | 107.4 | L242 V243 F258 | L242-V256 CarbonylContact O-C 3.5Å; L242-V256 WeakPolarHBondContact O-CA 3.41Å; V243-V256 HydrophobicContact CG2-CG2 4.31Å; V256-F258 HydrophobicContact CG1-CE2 4.35Å; V256-F258 HydrophobicContact CG1-CZ 4.2Å |
| 257 | L | 83.8 | Confident | 76.1 | Confident | 101 Ų | 101 | 114.1 Ų | 114.1 | 53% | 0.529 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.5 | 134.1 | 174 | -58.6 | -176.5 | 0 | 0 | 0 | 109.1 | S241 L242 V244 | S241-L257 CarbonylContact C-O 3.58Å; S241-L257 VanDerWaalsContact CA-O 3.24Å; S241-L257 WeakPolarHBondContact CA-O 3.36Å; L242-L257 HydrophobicContact CB-CB 4.33Å; L242-L257 HydrophobicContact CD2-CD1 4.39Å; L242-L257 PolarHBondContact N-O 2.84Å; L242-L257 PolarHBondContact O-N 2.85Å; V244-L257 HydrophobicContact CG2-CD1 3.56Å; V244-L257 HydrophobicContact CG2-CG 3.77Å |
| 258 | F | 82.4 | Confident | 74.7 | Confident | 147 Ų | 147 | 115.6 Ų | 115.6 | 65% | 0.645 | 65% | 0.648 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.9 | 131 | 171.8 | -63.1 | -87.6 | 0 | 0 | 0 | 109.5 | N240 V256 Q260 | N240-F258 WeakPolarHBondContact O-CA 3.24Å; V256-F258 HydrophobicContact CG1-CE2 4.35Å; V256-F258 HydrophobicContact CG1-CZ 4.2Å; F258-Q260 PolarHBondContact O-N 2.78Å |
| 259 | A | 77.3 | Confident | 73.7 | Confident | 66 Ų | 66 | 119.8 Ų | 119.8 | 55% | 0.545 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -68.8 | 120.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | N240 | N240-A259 HydrophobicContact CB-CB 4.19Å; N240-A259 PolarHBondContact O-N 3.47Å |
| 260 | Q | 75.7 | Confident | 72.4 | Confident | 179 Ų | 179 | 116.4 Ų | 116.4 | 84% | 0.836 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 129.3 | 168.7 | -68.7 | -172 | -6 | 0 | 0 | 109.1 | F258 T262 | F258-Q260 PolarHBondContact O-N 2.78Å; Q260-T262 PolarHBondContact O-N 2.96Å |
| 261 | P | 69.1 | Low | 70.9 | Confident | 119 Ų | 119 | 116.7 Ų | 116.7 | 77% | 0.773 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 128.4 | 173.1 | 26.3 | -31.4 | 0 | 0 | 0 | 108.5 | S263 | P261-S263 PolarHBondContact O-N 2.94Š|
| 262 | T | 67.8 | Low | 69 | Low | 127 Ų | 127 | 126.3 Ų | 126.3 | 78% | 0.779 | 72% | 0.716 | S | S | * | * | trans | -62.8 | 107.8 | 174.6 | 51.7 | 0 | 0 | 0 | 0 | 108.4 | Q260 V264 | Q260-T262 PolarHBondContact O-N 2.96Å; T262-V264 PolarHBondContact O-N 3.19Å | ||
| 263 | S | 59.8 | Low | 68.2 | Low | 114 Ų | 114 | 125.9 Ų | 125.9 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | trans | -67.3 | 104.2 | 170.6 | -174.4 | 0 | 0 | 0 | 0 | 108.1 | P261 R265 | P261-S263 PolarHBondContact O-N 2.94Å; S263-R265 PolarHBondContact O-N 3.22Å | ||
| 264 | V | 57.4 | Low | 67.2 | Low | 114 Ų | 114 | 125.9 Ų | 125.9 | 69% | 0.691 | 73% | 0.731 | S | S | * | * | trans | -68 | 101.7 | 170.3 | -178.2 | 0 | 0 | 0 | 0 | 106.8 | T262 H266 | T262-V264 PolarHBondContact O-N 3.19Å; V264-H266 PolarHBondContact O-N 3.11Å | ||
| 265 | R | 53.3 | Low | 66.1 | Low | 235 Ų | 235 | 124.3 Ų | 124.3 | 89% | 0.887 | 73% | 0.732 | S | S | * | * | trans | -72.8 | 94.8 | 175.7 | -160.2 | 177.8 | -170.4 | 177 | 3 | 108.2 | S263 | S263-R265 PolarHBondContact O-N 3.22Š| ||
| 266 | H | 60.5 | Low | 64.9 | Low | 162 Ų | 162 | 129.5 Ų | 129.5 | 75% | 0.75 | 75% | 0.752 | S | S | * | * | trans | -57.1 | 131.2 | 169.6 | -105.7 | -90.6 | 0 | 0 | 0 | 109.5 | V264 A268 | V264-H266 PolarHBondContact O-N 3.11Å; H266-A268 PolarHBondContact O-N 3.01Å | ||
| 267 | P | 57.7 | Low | 63.7 | Low | 107 Ų | 107 | 133.1 Ų | 133.1 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | trans | -68.9 | 119.2 | 168.9 | 27.4 | -29.5 | 0 | 0 | 0 | 108.3 | V269 | P267-V269 PolarHBondContact O-N 2.76Å; P267-V269 VanDerWaalsContact O-N 3.12Å | ||
| 268 | A | 55 | Low | 62.4 | Low | 103 Ų | 103 | 135.2 Ų | 135.2 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -63.5 | 110 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | H266 G270 | H266-A268 PolarHBondContact O-N 3.01Å; A268-G270 PolarHBondContact O-N 2.76Å | ||
| 269 | V | 63.6 | Low | 60.9 | Low | 142 Ų | 142 | 134.4 Ų | 134.4 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | -71.5 | 114.4 | 165.4 | 176.1 | 0 | 0 | 0 | 0 | 106.7 | P267 | P267-V269 PolarHBondContact O-N 2.76Å; P267-V269 VanDerWaalsContact O-N 3.12Å | ||
| 270 | G | 60.7 | Low | 59.7 | Low | 70 Ų | 70 | 139.6 Ų | 139.6 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | trans | -81.6 | 138.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A268 | A268-G270 PolarHBondContact O-N 2.76Š| ||
| 271 | G | 52.1 | Low | 58.4 | Low | 71 Ų | 71 | 136.3 Ų | 136.3 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | trans | 74.9 | 95.4 | 136.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 272 | H | 43.2 | Very low | 57.4 | Low | 272 Ų | 272 | 137.9 Ų | 137.9 | 100% | 1.259 | 82% | 0.82 | S | S | * | * | -136.3 | 0 | 128.6 | -101.3 | -74.6 | 0 | 0 | 0 | 108.7 |
Retrieved 272 of 272 residues in 180.1 ms
(Link to these results)