| 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 | 49.9 | Very low | 85.9 | Confident | 229 Ų | 229 | 71.3 Ų | 71.3 | 100% | 1.128 | 33% | 0.333 | S | S | * | . | 0 | 121.4 | 0 | -80 | 176.6 | 168.5 | 0 | 0 | 108.1 | R3 | M1-R3 PolarHBondContact O-N 3.22Š| |||
| 2 | H | 61.3 | Low | 86.7 | Confident | 151 Ų | 151 | 65.8 Ų | 65.8 | 70% | 0.699 | 31% | 0.309 | S | S | * | . | trans | -72.5 | 113.2 | 168.8 | -76 | 89.7 | 0 | 0 | 0 | 107.5 | ||||
| 3 | R | 76.4 | Confident | 87.5 | Confident | 167 Ų | 167 | 60.8 Ų | 60.8 | 63% | 0.63 | 29% | 0.285 | S | S | * | . | trans | -78.7 | 130.1 | 171.3 | -71.8 | -174 | 176.3 | -173 | -0.3 | 107.8 | M1 S106 A110 | M1-R3 PolarHBondContact O-N 3.22Å; R3-S106 PolarHBondContact O-N 3.39Å; R3-A110 HydrophobicContact CB-CB 4.42Å | ||
| 4 | V | 87 | Confident | 87.9 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 38% | 0.376 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 124.3 | 173.4 | -177.8 | 0 | 0 | 0 | 0 | 107.3 | E103 I104 | V4-E103 HydrophobicContact CG1-CB 3.78Å; V4-E103 HydrophobicContact CG1-CG 4.08Å; V4-I104 WeakPolarHBondContact CA-O 3.4Å |
| 5 | S | 91.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 127.2 | 172.4 | -57.7 | 0 | 0 | 0 | 0 | 108.8 | E103 I104 A109 A110 | S5-E103 WeakPolarHBondContact O-CA 3.04Å; S5-I104 PolarHBondContact N-O 2.83Å; S5-I104 PolarHBondContact O-N 2.97Å; S5-A109 PolarHBondContact OG-O 2.86Å; S5-A109 VanDerWaalsContact OG-O 3.13Å; S5-A110 VanDerWaalsContact OG-CA 3.28Å; S5-A110 WeakPolarHBondContact OG-CA 3.24Å; S5-A110 PolarHBondContact OG-N 2.84Å |
| 6 | T | 94.2 | Very high | 86.8 | Confident | 27 Ų | 27 | 61.2 Ų | 61.2 | 17% | 0.166 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 125.2 | -175.2 | -47.8 | 0 | 0 | 0 | 0 | 110.5 | N101 V102 E103 L144 | T6-N101 HydrophobicContact CG2-CB 3.81Å; T6-V102 WeakPolarHBondContact CA-O 3.36Å; T6-E103 HydrophobicContact CG2-CG 3.99Å; T6-L144 HydrophobicContact CG2-CD1 3.82Å; T6-L144 PolarHBondContact O-N 2.87Å |
| 7 | F | 95.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124 | 178.7 | -61.7 | -89.8 | 0 | 0 | 0 | 109.4 | N101 V102 I104 L112 V117 I141 N142 N143 | F7-N101 CarbonylContact O-C 3.54Å; F7-N101 WeakPolarHBondContact O-CA 3.34Å; F7-V102 PolarHBondContact N-O 3.07Å; F7-V102 PolarHBondContact O-N 2.9Å; F7-I104 HydrophobicContact CD2-CD1 4.15Å; F7-I104 HydrophobicContact CE2-CD1 4.11Å; F7-L112 HydrophobicContact CZ-CB 3.88Å; F7-V117 HydrophobicContact CB-CG1 4.48Å; F7-V117 HydrophobicContact CD1-CB 4.17Å; F7-V117 HydrophobicContact CD1-CG1 4.38Å; F7-V117 HydrophobicContact CD1-CG2 3.81Å; F7-V117 HydrophobicContact CD2-CG1 4.41Å; F7-V117 HydrophobicContact CD2-CG2 4.12Å; F7-V117 HydrophobicContact CE1-CB 4.3Å; F7-V117 HydrophobicContact CE1-CG2 3.5Å; F7-V117 VanDerWaalsContact CE1-CG2 3.5Å; F7-V117 HydrophobicContact CE2-CG2 3.84Å; F7-V117 HydrophobicContact CG-CB 4.44Å; F7-V117 HydrophobicContact CG-CG1 4.17Å; F7-V117 HydrophobicContact CG-CG2 4.13Å; F7-V117 HydrophobicContact CZ-CG2 3.54Å; F7-I141 HydrophobicContact CB-CG2 3.7Å; F7-I141 HydrophobicContact CD1-CG2 4.24Å; F7-I141 HydrophobicContact CG-CG2 4.34Å; F7-N142 CarbonylContact C-O 3.32Å; F7-N142 WeakPolarHBondContact CA-O 3.35Å; F7-N143 HydrophobicContact CD1-CB 3.86Å; F7-N143 HydrophobicContact CE1-CB 3.69Å |
| 8 | Q | 97.2 | Very high | 84.9 | Confident | 67 Ų | 67 | 59.7 Ų | 59.7 | 31% | 0.313 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 122.8 | 169.8 | -179.5 | 177.5 | 88.1 | 0 | 0 | 108.8 | T99 A100 I141 N142 L144 | Q8-T99 HydrophobicContact CG-CG2 3.71Å; Q8-A100 CarbonylContact C-O 3.55Å; Q8-A100 WeakPolarHBondContact CA-O 3.26Å; Q8-I141 CarbonylContact O-C 3.5Å; Q8-I141 VanDerWaalsContact O-CA 3.3Å; Q8-I141 WeakPolarHBondContact O-CA 3.49Å; Q8-N142 PolarHBondContact N-O 3.23Å; Q8-N142 PolarHBondContact O-N 3.35Å; Q8-L144 HydrophobicContact CB-CD1 4.27Å; Q8-L144 HydrophobicContact CB-CD2 3.78Å; Q8-L144 HydrophobicContact CB-CG 3.97Å |
| 9 | V | 97.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 134.8 | 175.3 | -177 | 0 | 0 | 0 | 0 | 108.6 | L47 T99 A100 V102 L139 I141 | V9-L47 HydrophobicContact CB-CD1 4.14Å; V9-L47 HydrophobicContact CG1-CD1 4.05Å; V9-L47 HydrophobicContact CG1-CD2 3.74Å; V9-L47 HydrophobicContact CG2-CD1 4.41Å; V9-T99 CarbonylContact O-C 3.57Å; V9-T99 VanDerWaalsContact O-CA 3.22Å; V9-T99 WeakPolarHBondContact O-CA 3.22Å; V9-A100 PolarHBondContact N-O 3.5Å; V9-A100 PolarHBondContact O-N 2.73Å; V9-V102 HydrophobicContact CG2-CB 4.37Å; V9-V102 HydrophobicContact CG2-CG2 3.7Å; V9-L139 HydrophobicContact CG1-CD1 3.46Å; V9-L139 VanDerWaalsContact CG1-CD1 3.46Å; V9-I141 HydrophobicContact CB-CG1 4.47Å; V9-I141 HydrophobicContact CG1-CD1 4.39Å; V9-I141 HydrophobicContact CG1-CG1 4.18Å; V9-I141 HydrophobicContact CG2-CD1 3.97Å; V9-I141 HydrophobicContact CG2-CG1 4.06Å; V9-I141 HydrophobicContact CG2-CG2 4.16Å |
| 10 | K | 97.9 | Very high | 84.6 | Confident | 80 Ų | 80 | 60.6 Ų | 60.6 | 35% | 0.348 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 134.1 | 175.6 | 173.9 | 169.2 | 150.7 | 144.3 | 0 | 109.6 | Q97 G98 L139 V140 | K10-Q97 HydrophobicContact CG-CG 4.01Å; K10-Q97 VanDerWaalsContact NZ-CD 3.31Å; K10-Q97 VanDerWaalsContact NZ-OE1 3.11Å; K10-G98 VanDerWaalsContact CA-O 3.32Å; K10-G98 WeakPolarHBondContact CA-O 3.21Å; K10-L139 WeakPolarHBondContact O-CA 3.21Å; K10-V140 PolarHBondContact N-O 2.87Å; K10-V140 PolarHBondContact O-N 2.81Å |
| 11 | A | 97.1 | Very high | 84.9 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 153.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q97 G98 L136 L139 | A11-Q97 CarbonylContact O-C 3.55Å; A11-Q97 WeakPolarHBondContact O-CA 3.43Å; A11-G98 PolarHBondContact N-O 3.2Å; A11-G98 PolarHBondContact O-N 3.11Å; A11-L136 HydrophobicContact CB-CB 3.88Å; A11-L136 HydrophobicContact CB-CD1 4.33Å; A11-L136 HydrophobicContact CB-CD2 4.03Å; A11-L136 HydrophobicContact CB-CG 4.28Å; A11-L139 HydrophobicContact CB-CD1 4.19Å |
| 12 | V | 95.8 | Very high | 87 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 134.8 | 167.4 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | Y14 V72 L74 S137 N138 | V12-Y14 HydrophobicContact CB-CE2 4.07Å; V12-Y14 HydrophobicContact CG1-CD2 4.18Å; V12-Y14 HydrophobicContact CG1-CE2 3.52Å; V12-V72 HydrophobicContact CG1-CG1 4.11Å; V12-V72 HydrophobicContact CG2-CG1 4.31Å; V12-L74 HydrophobicContact CG1-CD2 4.05Å; V12-S137 PolarHBondContact N-O 2.64Å; V12-S137 PolarHBondContact O-N 2.78Å; V12-N138 HydrophobicContact CG2-CB 4.45Å |
| 13 | L | 96 | Very high | 88.5 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 131.9 | -172.2 | -51.4 | -173.2 | 0 | 0 | 0 | 111.5 | H22 L39 F43 F69 V96 Q135 L136 | L13-H22 HydrophobicContact CB-CB 4.11Å; L13-H22 PolarHBondContact O-N 3.41Å; L13-L39 HydrophobicContact CD1-CD1 4.06Å; L13-L39 HydrophobicContact CD1-CD2 4.06Å; L13-L39 HydrophobicContact CD1-CG 4.12Å; L13-F43 HydrophobicContact CD2-CD2 3.87Å; L13-F43 HydrophobicContact CD2-CE2 3.98Å; L13-F69 HydrophobicContact CD1-CD1 4.05Å; L13-F69 HydrophobicContact CD1-CE1 3.69Å; L13-V96 HydrophobicContact CB-CB 4.43Å; L13-V96 HydrophobicContact CD1-CB 4.4Å; L13-V96 HydrophobicContact CD1-CG1 3.82Å; L13-V96 HydrophobicContact CG-CG1 4.31Å; L13-V96 PolarHBondContact N-O 3.24Å; L13-Q135 WeakPolarHBondContact CA-O 3.49Å; L13-L136 HydrophobicContact CD2-CD2 3.55Å |
| 14 | Y | 93.5 | Very high | 89.4 | Confident | 48 Ų | 48 | 43.4 Ų | 43.4 | 19% | 0.188 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 156.1 | 176.9 | -73.2 | -103.5 | 0 | 0 | 0 | 111.6 | V12 G18 T20 P21 H22 V134 Q135 | V12-Y14 HydrophobicContact CB-CE2 4.07Å; V12-Y14 HydrophobicContact CG1-CD2 4.18Å; V12-Y14 HydrophobicContact CG1-CE2 3.52Å; Y14-G18 WeakPolarHBondContact CD1-O 3.43Å; Y14-T20 CarbonylContact C-O 3.54Å; Y14-T20 VanDerWaalsContact CA-O 3.27Å; Y14-T20 WeakPolarHBondContact CA-O 3.34Å; Y14-T20 WeakPolarHBondContact CB-O 3.22Å; Y14-T20 WeakPolarHBondContact CD1-O 3.28Å; Y14-P21 HydrophobicContact CD1-CB 4.16Å; Y14-P21 HydrophobicContact CE1-CB 3.99Å; Y14-H22 PolarHBondContact O-CD2 3.13Å; Y14-V134 CarbonylContact O-C 3.46Å; Y14-V134 WeakPolarHBondContact O-CA 3.09Å; Y14-Q135 PolarHBondContact N-O 3.41Å; Y14-Q135 PolarHBondContact O-N 3.05Å |
| 15 | T | 86 | Confident | 89.8 | Confident | 28 Ų | 28 | 42.2 Ų | 42.2 | 17% | 0.172 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -179.8 | 166.3 | 62.8 | 0 | 0 | 0 | 0 | 110.4 | G17 G18 S19 T20 H22 | T15-G17 PolarHBondContact O-N 3.28Å; T15-G18 PolarHBondContact O-N 3.16Å; T15-S19 PolarHBondContact O-N 3.45Å; T15-T20 PolarHBondContact N-O 3.14Å; T15-T20 WeakPolarHBondContact OG1-CB 3.43Å; T15-T20 PolarHBondContact OG1-O 3.28Å; T15-H22 WeakPolarHBondContact CG2-CE1 3.41Å; T15-H22 WeakPolarHBondContact CG2-NE2 3.35Å |
| 16 | D | 72.3 | Confident | 90 | Very high | 113 Ų | 113 | 46.9 Ų | 46.9 | 60% | 0.604 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | 50.4 | 58 | 162.2 | -49.5 | -39.3 | 0 | 0 | 0 | 114.9 | G18 S19 | D16-G18 PolarHBondContact O-N 3.14Å; D16-G18 VanDerWaalsContact O-N 3.17Å; D16-S19 PolarHBondContact O-N 3.37Å; D16-S19 PolarHBondContact O-OG 3.3Å |
| 17 | G | 68.1 | Low | 90.2 | Very high | 64 Ų | 64 | 49.8 Ų | 49.8 | 66% | 0.66 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | 68.8 | 13.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T15 Q135 | T15-G17 PolarHBondContact O-N 3.28Å; G17-Q135 PolarHBondContact O-OE1 2.92Å |
| 18 | G | 71.3 | Confident | 90.3 | Very high | 31 Ų | 31 | 50.3 Ų | 50.3 | 32% | 0.32 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | 92.7 | 5.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y14 T15 D16 | Y14-G18 WeakPolarHBondContact CD1-O 3.43Å; T15-G18 PolarHBondContact O-N 3.16Å; D16-G18 PolarHBondContact O-N 3.14Å; D16-G18 VanDerWaalsContact O-N 3.17Å |
| 19 | S | 77.2 | Confident | 90.3 | Very high | 93 Ų | 93 | 52 Ų | 52 | 65% | 0.65 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -31.2 | -175 | 64 | 0 | 0 | 0 | 0 | 113.4 | T15 D16 | T15-S19 PolarHBondContact O-N 3.45Å; D16-S19 PolarHBondContact O-N 3.37Å; D16-S19 PolarHBondContact O-OG 3.3Å |
| 20 | T | 86.6 | Confident | 90.2 | Very high | 44 Ų | 44 | 56.1 Ų | 56.1 | 27% | 0.27 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 126.2 | -178.6 | -58.2 | 0 | 0 | 0 | 0 | 109.3 | Y14 T15 Y23 | Y14-T20 CarbonylContact C-O 3.54Å; Y14-T20 VanDerWaalsContact CA-O 3.27Å; Y14-T20 WeakPolarHBondContact CA-O 3.34Å; Y14-T20 WeakPolarHBondContact CB-O 3.22Å; Y14-T20 WeakPolarHBondContact CD1-O 3.28Å; T15-T20 PolarHBondContact N-O 3.14Å; T15-T20 WeakPolarHBondContact OG1-CB 3.43Å; T15-T20 PolarHBondContact OG1-O 3.28Å; T20-Y23 HydrophobicContact CG2-CE2 4.06Å |
| 21 | P | 90.5 | Very high | 90.2 | Very high | 15 Ų | 15 | 58 Ų | 58 | 10% | 0.097 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 148.6 | 174.7 | 29.8 | -33.9 | 0 | 0 | 0 | 111 | Y14 Y23 L74 | Y14-P21 HydrophobicContact CD1-CB 4.16Å; Y14-P21 HydrophobicContact CE1-CB 3.99Å; P21-Y23 HydrophobicContact CG-CD1 4.43Å; P21-Y23 HydrophobicContact CG-CE1 3.89Å; P21-Y23 PolarHBondContact O-N 2.58Å; P21-L74 HydrophobicContact CB-CD1 3.19Å; P21-L74 HydrophobicContact CG-CD1 3.59Å |
| 22 | H | 93.6 | Very high | 90.2 | Very high | 41 Ų | 41 | 62.6 Ų | 62.6 | 19% | 0.19 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 120.6 | 158.6 | -87.6 | -85 | 0 | 0 | 0 | 107.7 | L13 Y14 T15 G95 V96 G133 | L13-H22 HydrophobicContact CB-CB 4.11Å; L13-H22 PolarHBondContact O-N 3.41Å; Y14-H22 PolarHBondContact O-CD2 3.13Å; T15-H22 WeakPolarHBondContact CG2-CE1 3.41Å; T15-H22 WeakPolarHBondContact CG2-NE2 3.35Å; H22-G95 CarbonylContact O-C 3.38Å; H22-G95 WeakPolarHBondContact O-CA 3.33Å; H22-V96 HydrophobicContact CB-CB 4.09Å; H22-V96 HydrophobicContact CB-CG2 3.99Å; H22-V96 WeakPolarHBondContact O-CG2 3.45Å; H22-V96 PolarHBondContact O-N 2.76Å; H22-G133 PolarHBondContact NE2-O 3.32Å |
| 23 | Y | 93 | Very high | 90.3 | Very high | 136 Ų | 136 | 63.2 Ų | 63.2 | 53% | 0.533 | 37% | 0.368 | S | S | . | . | B | Isolated β-bridge | trans | -78.1 | 139.6 | 178.9 | -64.9 | -74.4 | 0 | 0 | 0 | 110.8 | T20 P21 S25 T93 Q94 | T20-Y23 HydrophobicContact CG2-CE2 4.06Å; P21-Y23 HydrophobicContact CG-CD1 4.43Å; P21-Y23 HydrophobicContact CG-CE1 3.89Å; P21-Y23 PolarHBondContact O-N 2.58Å; Y23-S25 PolarHBondContact O-N 3.43Å; Y23-T93 HydrophobicContact CE1-CG2 4.36Å; Y23-Q94 WeakPolarHBondContact CA-O 3.45Å |
| 24 | W | 95.6 | Very high | 90.4 | Very high | 56 Ų | 56 | 67.7 Ų | 67.7 | 21% | 0.212 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 137.1 | 175.7 | 178.9 | -109 | 0 | 0 | 0 | 110.8 | L28 F69 P71 Q94 V96 | W24-L28 HydrophobicContact CE3-CB 4.49Å; W24-L28 HydrophobicContact CE3-CD1 4.14Å; W24-L28 HydrophobicContact CH2-CB 4.14Å; W24-L28 HydrophobicContact CZ3-CB 3.93Å; W24-L28 HydrophobicContact CZ3-CD1 4.26Å; W24-F69 HydrophobicContact CZ3-CB 3.96Å; W24-P71 HydrophobicContact CB-CB 4.26Å; W24-P71 HydrophobicContact CD2-CB 3.68Å; W24-P71 HydrophobicContact CD2-CG 4.23Å; W24-P71 HydrophobicContact CE3-CB 4.1Å; W24-P71 HydrophobicContact CG-CB 3.72Å; W24-P71 HydrophobicContact CZ2-CG 4.37Å; W24-Q94 HydrophobicContact CB-CB 3.77Å; W24-Q94 PolarHBondContact N-O 2.83Å; W24-V96 HydrophobicContact CE3-CG2 4.24Å |
| 25 | S | 95.4 | Very high | 90.6 | Very high | 37 Ų | 37 | 67.4 Ų | 67.4 | 26% | 0.259 | 41% | 0.405 | S | S | . | . | trans | -132 | 139.1 | 170 | 171.2 | 0 | 0 | 0 | 0 | 109 | Y23 D27 L28 | Y23-S25 PolarHBondContact O-N 3.43Å; S25-D27 PolarHBondContact O-N 3.19Å; S25-D27 VanDerWaalsContact O-N 3.1Å; S25-D27 PolarHBondContact OG-N 3.34Å; S25-L28 WeakPolarHBondContact O-CB 3.45Å; S25-L28 PolarHBondContact O-N 3.18Å | ||
| 26 | P | 95.9 | Very high | 91.2 | Very high | 97 Ų | 97 | 67 Ų | 67 | 63% | 0.63 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -53.2 | -28.7 | 172.5 | -26.1 | 35 | 0 | 0 | 0 | 113.7 | L28 T29 | P26-L28 PolarHBondContact O-N 3.35Å; P26-L28 VanDerWaalsContact O-N 3.15Å; P26-T29 VanDerWaalsContact O-CB 3.26Å; P26-T29 WeakPolarHBondContact O-CB 3.46Å; P26-T29 PolarHBondContact O-N 3.45Å; P26-T29 PolarHBondContact O-OG1 2.95Å; P26-T29 VanDerWaalsContact O-OG1 3.06Å |
| 27 | D | 97.4 | Very high | 92.4 | Very high | 89 Ų | 89 | 65.4 Ų | 65.4 | 48% | 0.476 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -59.8 | -25.4 | 178.1 | -67.7 | -26.3 | 0 | 0 | 0 | 113 | S25 T29 N30 T33 A35 | S25-D27 PolarHBondContact O-N 3.19Å; S25-D27 VanDerWaalsContact O-N 3.1Å; S25-D27 PolarHBondContact OG-N 3.34Å; D27-T29 PolarHBondContact O-N 2.74Å; D27-N30 PolarHBondContact O-N 3.13Å; D27-T33 HydrophobicContact CB-CG2 4.15Å; D27-T33 WeakPolarHBondContact O-CG2 3.15Å; D27-T33 PolarHBondContact O-OG1 2.94Å; D27-A35 HydrophobicContact CB-CB 4.01Å |
| 28 | L | 97.7 | Very high | 93.8 | Very high | 10 Ų | 10 | 67.4 Ų | 67.4 | 5% | 0.052 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -72.5 | -6.8 | 176 | -60.2 | 178.8 | 0 | 0 | 0 | 113.3 | W24 S25 P26 A35 Y36 L39 F69 V96 | W24-L28 HydrophobicContact CE3-CB 4.49Å; W24-L28 HydrophobicContact CE3-CD1 4.14Å; W24-L28 HydrophobicContact CH2-CB 4.14Å; W24-L28 HydrophobicContact CZ3-CB 3.93Å; W24-L28 HydrophobicContact CZ3-CD1 4.26Å; S25-L28 WeakPolarHBondContact O-CB 3.45Å; S25-L28 PolarHBondContact O-N 3.18Å; P26-L28 PolarHBondContact O-N 3.35Å; P26-L28 VanDerWaalsContact O-N 3.15Å; L28-A35 HydrophobicContact CD2-CB 4.25Å; L28-Y36 VanDerWaalsContact O-CD2 3.3Å; L28-Y36 WeakPolarHBondContact O-CD2 3.41Å; L28-L39 HydrophobicContact CD1-CD2 3.92Å; L28-L39 HydrophobicContact CD2-CB 4.39Å; L28-L39 HydrophobicContact CD2-CD2 3.8Å; L28-F69 HydrophobicContact CB-CB 4.1Å; L28-F69 HydrophobicContact CB-CD2 4.38Å; L28-F69 HydrophobicContact CD2-CD2 4.23Å; L28-V96 HydrophobicContact CD1-CB 4.49Å; L28-V96 HydrophobicContact CD1-CG1 4.13Å; L28-V96 HydrophobicContact CD1-CG2 3.48Å; L28-V96 VanDerWaalsContact CD1-CG2 3.48Å |
| 29 | T | 96.6 | Very high | 95 | Very high | 102 Ų | 102 | 66.6 Ų | 66.6 | 63% | 0.626 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -82.2 | -29.3 | 171.9 | -46.7 | 0 | 0 | 0 | 0 | 111.2 | P26 D27 | P26-T29 VanDerWaalsContact O-CB 3.26Å; P26-T29 WeakPolarHBondContact O-CB 3.46Å; P26-T29 PolarHBondContact O-N 3.45Å; P26-T29 PolarHBondContact O-OG1 2.95Å; P26-T29 VanDerWaalsContact O-OG1 3.06Å; D27-T29 PolarHBondContact O-N 2.74Å |
| 30 | N | 97 | Very high | 96 | Very high | 88 Ų | 88 | 62.8 Ų | 62.8 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -97.7 | 112.8 | -179 | 178.1 | -4 | 0 | 0 | 0 | 110.6 | D27 S32 T33 Y36 | D27-N30 PolarHBondContact O-N 3.13Å; N30-S32 PolarHBondContact O-N 2.94Å; N30-S32 PolarHBondContact OD1-N 2.95Å; N30-T33 HydrophobicContact CB-CG2 3.75Å; N30-T33 PolarHBondContact O-N 3.33Å; N30-T33 VanDerWaalsContact O-N 3.12Å; N30-T33 PolarHBondContact O-OG1 3.29Å; N30-T33 VanDerWaalsContact O-OG1 3.08Å; N30-Y36 WeakPolarHBondContact O-CB 3.5Å |
| 31 | K | 97.6 | Very high | 96.6 | Very high | 118 Ų | 118 | 64.4 Ų | 64.4 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -14.6 | -175.1 | -58.6 | -166.4 | 173.5 | -176.4 | 0 | 115 | Y36 I37 | K31-Y36 VanDerWaalsContact CA-CD1 3.44Å; K31-Y36 HydrophobicContact CB-CD1 3.99Å; K31-Y36 HydrophobicContact CB-CE1 3.76Å; K31-Y36 HydrophobicContact CB-CG 4.47Å; K31-Y36 HydrophobicContact CD-CE1 4.34Å; K31-Y36 WeakPolarHBondContact CE-OH 3.19Å; K31-Y36 HydrophobicContact CG-CD1 4.38Å; K31-Y36 HydrophobicContact CG-CD2 4.42Å; K31-Y36 HydrophobicContact CG-CE1 3.87Å; K31-Y36 HydrophobicContact CG-CE2 3.88Å; K31-Y36 VanDerWaalsContact O-CD1 3.26Å; K31-Y36 WeakPolarHBondContact O-CD1 3.21Å; K31-I37 WeakPolarHBondContact O-CG1 3.42Å |
| 32 | S | 97.7 | Very high | 96.9 | Very high | 99 Ų | 99 | 65.3 Ų | 65.3 | 69% | 0.692 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -4.7 | 179.9 | -55.4 | 0 | 0 | 0 | 0 | 113.3 | N30 | N30-S32 PolarHBondContact O-N 2.94Å; N30-S32 PolarHBondContact OD1-N 2.95Å |
| 33 | T | 98.1 | Very high | 97.1 | Very high | 18 Ų | 18 | 63.4 Ų | 63.4 | 11% | 0.11 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -75.6 | 146.9 | 179.6 | 67.2 | 0 | 0 | 0 | 0 | 110.9 | D27 N30 A35 Y36 I37 | D27-T33 HydrophobicContact CB-CG2 4.15Å; D27-T33 WeakPolarHBondContact O-CG2 3.15Å; D27-T33 PolarHBondContact O-OG1 2.94Å; N30-T33 HydrophobicContact CB-CG2 3.75Å; N30-T33 PolarHBondContact O-N 3.33Å; N30-T33 VanDerWaalsContact O-N 3.12Å; N30-T33 PolarHBondContact O-OG1 3.29Å; N30-T33 VanDerWaalsContact O-OG1 3.08Å; T33-A35 PolarHBondContact O-N 3.44Å; T33-Y36 PolarHBondContact O-N 3.4Å; T33-Y36 WeakPolarHBondContact OG1-CB 3.39Å; T33-Y36 PolarHBondContact OG1-N 3.5Å; T33-Y36 VanDerWaalsContact OG1-N 3.1Å; T33-I37 WeakPolarHBondContact O-CG1 3.48Å; T33-I37 PolarHBondContact O-N 2.84Å |
| 34 | P | 97.9 | Very high | 97.3 | Very high | 94 Ų | 94 | 57.8 Ų | 57.8 | 61% | 0.61 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -56.4 | -36.5 | 172.2 | -26.4 | 35.2 | 0 | 0 | 0 | 112.7 | I37 N38 | P34-I37 PolarHBondContact O-N 3.02Å; P34-N38 VanDerWaalsContact O-CB 3.25Å; P34-N38 WeakPolarHBondContact O-CB 3.39Å; P34-N38 PolarHBondContact O-N 3.41Å; P34-N38 PolarHBondContact O-ND2 2.96Å |
| 35 | A | 96.8 | Very high | 97.3 | Very high | 42 Ų | 42 | 57 Ų | 57 | 35% | 0.347 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D27 L28 T33 L39 | D27-A35 HydrophobicContact CB-CB 4.01Å; L28-A35 HydrophobicContact CD2-CB 4.25Å; T33-A35 PolarHBondContact O-N 3.44Å; A35-L39 WeakPolarHBondContact O-CB 3.49Å; A35-L39 PolarHBondContact O-N 2.7Å; A35-L39 VanDerWaalsContact O-N 3.14Å |
| 36 | Y | 98.4 | Very high | 97.4 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 8% | 0.075 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63 | -50.1 | 176.5 | 178.4 | -83.8 | 0 | 0 | 0 | 111.8 | L28 N30 K31 T33 N38 L39 A40 V67 F69 | L28-Y36 VanDerWaalsContact O-CD2 3.3Å; L28-Y36 WeakPolarHBondContact O-CD2 3.41Å; N30-Y36 WeakPolarHBondContact O-CB 3.5Å; K31-Y36 VanDerWaalsContact CA-CD1 3.44Å; K31-Y36 HydrophobicContact CB-CD1 3.99Å; K31-Y36 HydrophobicContact CB-CE1 3.76Å; K31-Y36 HydrophobicContact CB-CG 4.47Å; K31-Y36 HydrophobicContact CD-CE1 4.34Å; K31-Y36 WeakPolarHBondContact CE-OH 3.19Å; K31-Y36 HydrophobicContact CG-CD1 4.38Å; K31-Y36 HydrophobicContact CG-CD2 4.42Å; K31-Y36 HydrophobicContact CG-CE1 3.87Å; K31-Y36 HydrophobicContact CG-CE2 3.88Å; K31-Y36 VanDerWaalsContact O-CD1 3.26Å; K31-Y36 WeakPolarHBondContact O-CD1 3.21Å; T33-Y36 PolarHBondContact O-N 3.4Å; T33-Y36 WeakPolarHBondContact OG1-CB 3.39Å; T33-Y36 PolarHBondContact OG1-N 3.5Å; T33-Y36 VanDerWaalsContact OG1-N 3.1Å; Y36-N38 PolarHBondContact O-N 3.12Å; Y36-L39 PolarHBondContact O-N 2.85Å; Y36-A40 HydrophobicContact CD1-CB 4.32Å; Y36-A40 HydrophobicContact CE1-CB 4.01Å; Y36-A40 WeakPolarHBondContact O-CB 3.49Å; Y36-A40 PolarHBondContact O-N 2.9Å; Y36-V67 PolarHBondContact OH-O 3.4Å; Y36-F69 AromaticContact CD2-CD2 3.67Å; Y36-F69 HydrophobicContact CD2-CD2 3.67Å; Y36-F69 AromaticContact CD2-CE2 4Å; Y36-F69 HydrophobicContact CD2-CE2 4Å; Y36-F69 AromaticContact CE2-CD2 3.76Å; Y36-F69 HydrophobicContact CE2-CD2 3.76Å; Y36-F69 HydrophobicContact CE2-CE2 4.05Å |
| 37 | I | 98.5 | Very high | 97.4 | Very high | 81 Ų | 81 | 51 Ų | 51 | 42% | 0.415 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | -174.2 | -67.4 | 166.8 | 0 | 0 | 0 | 110.6 | K31 T33 P34 T41 | K31-I37 WeakPolarHBondContact O-CG1 3.42Å; T33-I37 WeakPolarHBondContact O-CG1 3.48Å; T33-I37 PolarHBondContact O-N 2.84Å; P34-I37 PolarHBondContact O-N 3.02Å; I37-T41 WeakPolarHBondContact O-CB 3.41Å; I37-T41 PolarHBondContact O-N 2.68Å; I37-T41 PolarHBondContact O-OG1 3.02Å |
| 38 | N | 97.3 | Very high | 97.4 | Very high | 106 Ų | 106 | 49 Ų | 49 | 57% | 0.567 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.7 | -47.4 | 179.5 | -69.3 | -18.3 | 0 | 0 | 0 | 111 | P34 Y36 A40 T41 S42 | P34-N38 VanDerWaalsContact O-CB 3.25Å; P34-N38 WeakPolarHBondContact O-CB 3.39Å; P34-N38 PolarHBondContact O-N 3.41Å; P34-N38 PolarHBondContact O-ND2 2.96Å; Y36-N38 PolarHBondContact O-N 3.12Å; N38-A40 PolarHBondContact O-N 3.5Å; N38-T41 PolarHBondContact O-N 3.06Å; N38-S42 WeakPolarHBondContact O-CB 3.34Å; N38-S42 PolarHBondContact O-N 2.68Å; N38-S42 PolarHBondContact O-OG 3.27Å |
| 39 | L | 97 | Very high | 97.3 | Very high | 14 Ų | 14 | 51.9 Ų | 51.9 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.4 | -40.1 | -179.3 | -170.9 | 61.7 | 0 | 0 | 0 | 112.1 | L13 L28 A35 Y36 T41 S42 F43 F69 V96 V134 | L13-L39 HydrophobicContact CD1-CD1 4.06Å; L13-L39 HydrophobicContact CD1-CD2 4.06Å; L13-L39 HydrophobicContact CD1-CG 4.12Å; L28-L39 HydrophobicContact CD1-CD2 3.92Å; L28-L39 HydrophobicContact CD2-CB 4.39Å; L28-L39 HydrophobicContact CD2-CD2 3.8Å; A35-L39 WeakPolarHBondContact O-CB 3.49Å; A35-L39 PolarHBondContact O-N 2.7Å; A35-L39 VanDerWaalsContact O-N 3.14Å; Y36-L39 PolarHBondContact O-N 2.85Å; L39-T41 VanDerWaalsContact C-N 3.34Å; L39-S42 PolarHBondContact O-N 3.48Å; L39-F43 VanDerWaalsContact O-CB 3.24Å; L39-F43 WeakPolarHBondContact O-CB 3.45Å; L39-F43 PolarHBondContact O-N 3.28Å; L39-F69 HydrophobicContact CB-CE2 3.94Å; L39-F69 HydrophobicContact CB-CZ 3.98Å; L39-F69 HydrophobicContact CD2-CD1 4.19Å; L39-F69 HydrophobicContact CD2-CD2 4.18Å; L39-F69 HydrophobicContact CD2-CE1 4.02Å; L39-F69 HydrophobicContact CD2-CE2 3.96Å; L39-F69 HydrophobicContact CD2-CG 4.29Å; L39-F69 HydrophobicContact CD2-CZ 3.89Å; L39-F69 HydrophobicContact CG-CE1 4.01Å; L39-F69 HydrophobicContact CG-CE2 3.93Å; L39-F69 HydrophobicContact CG-CZ 3.59Å; L39-V96 HydrophobicContact CD2-CG1 4.1Å; L39-V134 HydrophobicContact CD1-CG1 3.5Å; L39-V134 VanDerWaalsContact CD1-CG1 3.5Å |
| 40 | A | 98.4 | Very high | 97.3 | Very high | 12 Ų | 12 | 47 Ų | 47 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y36 N38 F43 C44 V67 F69 | Y36-A40 HydrophobicContact CD1-CB 4.32Å; Y36-A40 HydrophobicContact CE1-CB 4.01Å; Y36-A40 WeakPolarHBondContact O-CB 3.49Å; Y36-A40 PolarHBondContact O-N 2.9Å; N38-A40 PolarHBondContact O-N 3.5Å; A40-F43 PolarHBondContact O-N 2.93Å; A40-C44 VanDerWaalsContact O-CB 3.32Å; A40-C44 WeakPolarHBondContact O-CB 3.43Å; A40-C44 PolarHBondContact O-N 3.37Å; A40-V67 HydrophobicContact CB-CB 4.29Å; A40-V67 HydrophobicContact CB-CG1 3.93Å; A40-V67 HydrophobicContact CB-CG2 4.4Å; A40-F69 HydrophobicContact CB-CE2 4.07Å; A40-F69 HydrophobicContact CB-CZ 4.2Å |
| 41 | T | 97.9 | Very high | 97.3 | Very high | 79 Ų | 79 | 42.9 Ų | 42.9 | 49% | 0.485 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.6 | -47.3 | 176.9 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | I37 N38 L39 S45 | I37-T41 WeakPolarHBondContact O-CB 3.41Å; I37-T41 PolarHBondContact O-N 2.68Å; I37-T41 PolarHBondContact O-OG1 3.02Å; N38-T41 PolarHBondContact O-N 3.06Å; L39-T41 VanDerWaalsContact C-N 3.34Å; T41-S45 VanDerWaalsContact O-CB 3.24Å; T41-S45 WeakPolarHBondContact O-CB 3.27Å; T41-S45 PolarHBondContact O-N 3.42Å; T41-S45 PolarHBondContact O-OG 3.2Å |
| 42 | S | 96.6 | Very high | 97.2 | Very high | 34 Ų | 34 | 42.1 Ų | 42.1 | 24% | 0.238 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.5 | -47.5 | 176 | -78.2 | 0 | 0 | 0 | 0 | 112.2 | N38 L39 S45 L46 F132 | N38-S42 WeakPolarHBondContact O-CB 3.34Å; N38-S42 PolarHBondContact O-N 2.68Å; N38-S42 PolarHBondContact O-OG 3.27Å; L39-S42 PolarHBondContact O-N 3.48Å; S42-S45 PolarHBondContact O-N 2.98Å; S42-L46 WeakPolarHBondContact O-CB 3.47Å; S42-L46 PolarHBondContact O-N 3.16Å; S42-F132 WeakPolarHBondContact CB-O 3.21Å; S42-F132 PolarHBondContact OG-O 2.74Å |
| 43 | F | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.3 | -49.2 | 178.9 | -179.4 | -132.5 | 0 | 0 | 0 | 111.7 | L13 L39 A40 L46 L47 V67 F69 A100 L136 | L13-F43 HydrophobicContact CD2-CD2 3.87Å; L13-F43 HydrophobicContact CD2-CE2 3.98Å; L39-F43 VanDerWaalsContact O-CB 3.24Å; L39-F43 WeakPolarHBondContact O-CB 3.45Å; L39-F43 PolarHBondContact O-N 3.28Å; A40-F43 PolarHBondContact O-N 2.93Å; F43-L46 PolarHBondContact O-N 3.38Å; F43-L47 HydrophobicContact CD1-CD1 4.48Å; F43-L47 HydrophobicContact CD2-CD1 4.32Å; F43-L47 HydrophobicContact CD2-CG 4.38Å; F43-L47 HydrophobicContact CE1-CD1 4.06Å; F43-L47 HydrophobicContact CE2-CD1 3.87Å; F43-L47 HydrophobicContact CE2-CD2 4.34Å; F43-L47 HydrophobicContact CE2-CG 4.12Å; F43-L47 HydrophobicContact CZ-CD1 3.74Å; F43-L47 HydrophobicContact CZ-CG 4.48Å; F43-L47 WeakPolarHBondContact O-CG 3.15Å; F43-L47 PolarHBondContact O-N 2.96Å; F43-L47 VanDerWaalsContact O-N 3.11Å; F43-V67 HydrophobicContact CD1-CG1 4.11Å; F43-F69 HydrophobicContact CB-CZ 4.48Å; F43-F69 HydrophobicContact CD1-CE1 4.21Å; F43-A100 HydrophobicContact CD1-CB 4.26Å; F43-A100 HydrophobicContact CE1-CB 3.63Å; F43-A100 HydrophobicContact CZ-CB 4.46Å; F43-L136 HydrophobicContact CD2-CD2 3.78Å; F43-L136 HydrophobicContact CE2-CD1 4.28Å; F43-L136 HydrophobicContact CE2-CD2 3.65Å |
| 44 | C | 98.2 | Very high | 96.9 | Very high | 18 Ų | 18 | 41 Ų | 41 | 12% | 0.122 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.9 | -39.7 | 177.9 | -80.1 | 0 | 0 | 0 | 0 | 113 | A40 L46 L47 L48 C64 V67 | A40-C44 VanDerWaalsContact O-CB 3.32Å; A40-C44 WeakPolarHBondContact O-CB 3.43Å; A40-C44 PolarHBondContact O-N 3.37Å; C44-L46 VanDerWaalsContact C-N 3.32Å; C44-L46 PolarHBondContact O-N 3.03Å; C44-L47 PolarHBondContact O-N 3.25Å; C44-L48 WeakPolarHBondContact O-CB 3.3Å; C44-L48 WeakPolarHBondContact O-CG 3.49Å; C44-L48 PolarHBondContact O-N 3.33Å; C44-C64 WeakPolarHBondContact CA-SG 3.4Å; C44-C64 HydrophobicContact CB-CB 3.46Å; C44-C64 VanDerWaalsContact CB-CB 3.46Å; C44-C64 WeakPolarHBondContact CB-SG 3.24Å; C44-C64 WeakPolarHBondContact SG-CB 3.39Å; C44-C64 CovalentContact SG-SG 2.04Å; C44-C64 PolarHBondContact SG-SG 3.01Å; C44-V67 WeakPolarHBondContact SG-CG2 3.4Å |
| 45 | S | 96.3 | Very high | 96.7 | Very high | 41 Ų | 41 | 39.9 Ų | 39.9 | 29% | 0.287 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 177.2 | -61.4 | 0 | 0 | 0 | 0 | 111.1 | T41 S42 L48 Q49 | T41-S45 VanDerWaalsContact O-CB 3.24Å; T41-S45 WeakPolarHBondContact O-CB 3.27Å; T41-S45 PolarHBondContact O-N 3.42Å; T41-S45 PolarHBondContact O-OG 3.2Å; S42-S45 PolarHBondContact O-N 2.98Å; S45-L48 PolarHBondContact O-N 3.5Å; S45-Q49 WeakPolarHBondContact O-CB 3.44Å; S45-Q49 WeakPolarHBondContact O-CG 3.49Å; S45-Q49 PolarHBondContact O-N 3Å |
| 46 | L | 96.2 | Very high | 96.5 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.4 | -47.5 | 175.8 | 179.3 | 61 | 0 | 0 | 0 | 111.7 | S42 F43 C44 Q49 G50 I125 L128 F132 V134 L136 | S42-L46 WeakPolarHBondContact O-CB 3.47Å; S42-L46 PolarHBondContact O-N 3.16Å; F43-L46 PolarHBondContact O-N 3.38Å; C44-L46 VanDerWaalsContact C-N 3.32Å; C44-L46 PolarHBondContact O-N 3.03Å; L46-Q49 PolarHBondContact O-N 3.38Å; L46-G50 PolarHBondContact O-N 2.77Å; L46-I125 HydrophobicContact CD1-CD1 4.3Å; L46-I125 HydrophobicContact CD1-CG1 3.92Å; L46-I125 HydrophobicContact CD1-CG2 4.17Å; L46-I125 HydrophobicContact CD2-CD1 4.43Å; L46-I125 HydrophobicContact CG-CD1 4.02Å; L46-I125 HydrophobicContact CG-CG1 4.16Å; L46-L128 HydrophobicContact CD1-CD1 3.24Å; L46-F132 HydrophobicContact CB-CB 4.25Å; L46-F132 HydrophobicContact CB-CD2 4.21Å; L46-F132 HydrophobicContact CB-CG 4.28Å; L46-F132 HydrophobicContact CD1-CD2 3.78Å; L46-F132 HydrophobicContact CD1-CE2 4.38Å; L46-V134 HydrophobicContact CB-CG2 4.1Å; L46-V134 HydrophobicContact CD2-CG2 3.84Å; L46-V134 WeakPolarHBondContact CD2-O 3.46Å; L46-L136 HydrophobicContact CD2-CD1 4.1Å; L46-L136 HydrophobicContact CD2-CD2 3.86Å; L46-L136 HydrophobicContact CD2-CG 3.61Å |
| 47 | L | 97.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 179.8 | -68.5 | 179.1 | 0 | 0 | 0 | 112.6 | V9 F43 C44 G50 L51 A100 V102 I121 L136 | V9-L47 HydrophobicContact CB-CD1 4.14Å; V9-L47 HydrophobicContact CG1-CD1 4.05Å; V9-L47 HydrophobicContact CG1-CD2 3.74Å; V9-L47 HydrophobicContact CG2-CD1 4.41Å; F43-L47 HydrophobicContact CD1-CD1 4.48Å; F43-L47 HydrophobicContact CD2-CD1 4.32Å; F43-L47 HydrophobicContact CD2-CG 4.38Å; F43-L47 HydrophobicContact CE1-CD1 4.06Å; F43-L47 HydrophobicContact CE2-CD1 3.87Å; F43-L47 HydrophobicContact CE2-CD2 4.34Å; F43-L47 HydrophobicContact CE2-CG 4.12Å; F43-L47 HydrophobicContact CZ-CD1 3.74Å; F43-L47 HydrophobicContact CZ-CG 4.48Å; F43-L47 WeakPolarHBondContact O-CG 3.15Å; F43-L47 PolarHBondContact O-N 2.96Å; F43-L47 VanDerWaalsContact O-N 3.11Å; C44-L47 PolarHBondContact O-N 3.25Å; L47-G50 PolarHBondContact O-N 3.09Å; L47-L51 WeakPolarHBondContact O-CB 3.37Å; L47-L51 PolarHBondContact O-N 3.09Å; L47-A100 HydrophobicContact CD1-CB 4.33Å; L47-V102 HydrophobicContact CB-CG2 4.4Å; L47-V102 HydrophobicContact CD1-CG2 4.17Å; L47-I121 HydrophobicContact CD2-CG2 4.06Å; L47-L136 HydrophobicContact CD2-CD1 3.63Å |
| 48 | L | 97 | Very high | 95.7 | Very high | 48 Ų | 48 | 40.9 Ų | 40.9 | 25% | 0.251 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69.9 | -35.3 | -179 | -67.4 | 177.7 | 0 | 0 | 0 | 112 | C44 S45 L51 K52 A62 C64 | C44-L48 WeakPolarHBondContact O-CB 3.3Å; C44-L48 WeakPolarHBondContact O-CG 3.49Å; C44-L48 PolarHBondContact O-N 3.33Å; S45-L48 PolarHBondContact O-N 3.5Å; L48-L51 PolarHBondContact O-N 3.36Å; L48-K52 WeakPolarHBondContact O-CB 3.26Å; L48-K52 PolarHBondContact O-N 3.19Å; L48-A62 HydrophobicContact CD2-CB 3.75Å; L48-C64 HydrophobicContact CD1-CB 4.15Å; L48-C64 HydrophobicContact CD2-CB 4.29Å; L48-C64 HydrophobicContact CG-CB 4.09Å |
| 49 | Q | 95.8 | Very high | 95.3 | Very high | 70 Ų | 70 | 37.4 Ų | 37.4 | 33% | 0.327 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -73.8 | -35.9 | 175.5 | -69 | -78.8 | 92.1 | 0 | 0 | 111.6 | S45 L46 K52 L53 L128 F132 | S45-Q49 WeakPolarHBondContact O-CB 3.44Å; S45-Q49 WeakPolarHBondContact O-CG 3.49Å; S45-Q49 PolarHBondContact O-N 3Å; L46-Q49 PolarHBondContact O-N 3.38Å; Q49-K52 PolarHBondContact O-N 3.24Å; Q49-L53 PolarHBondContact O-N 3.32Å; Q49-L128 HydrophobicContact CB-CD2 4.1Å; Q49-F132 HydrophobicContact CB-CE2 4.15Å; Q49-F132 HydrophobicContact CB-CZ 3.88Å; Q49-F132 HydrophobicContact CG-CE1 4.14Å; Q49-F132 HydrophobicContact CG-CE2 4.37Å; Q49-F132 HydrophobicContact CG-CZ 3.6Å |
| 50 | G | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.5 | -49.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L46 L47 K52 L53 G54 G124 | L46-G50 PolarHBondContact O-N 2.77Å; L47-G50 PolarHBondContact O-N 3.09Å; G50-K52 VanDerWaalsContact C-N 3.33Å; G50-K52 PolarHBondContact O-N 3.37Å; G50-L53 PolarHBondContact O-N 3.13Å; G50-G54 PolarHBondContact O-N 2.91Å; G50-G124 WeakPolarHBondContact O-CA 3.35Å |
| 51 | L | 96.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.9 | -44.4 | 174.9 | -178.3 | 64.8 | 0 | 0 | 0 | 112 | L47 L48 L53 G54 Q55 F58 A62 V102 I104 I120 I121 | L47-L51 WeakPolarHBondContact O-CB 3.37Å; L47-L51 PolarHBondContact O-N 3.09Å; L48-L51 PolarHBondContact O-N 3.36Å; L51-L53 PolarHBondContact O-N 3.25Å; L51-G54 PolarHBondContact O-N 2.84Å; L51-Q55 CarbonylContact O-C 3.52Å; L51-Q55 PolarHBondContact O-N 2.91Å; L51-Q55 VanDerWaalsContact O-O 3.12Å; L51-F58 HydrophobicContact CD1-CB 3.88Å; L51-F58 HydrophobicContact CD1-CD2 4.41Å; L51-F58 HydrophobicContact CD2-CB 4.38Å; L51-F58 HydrophobicContact CG-CB 4.21Å; L51-A62 HydrophobicContact CD2-CB 3.43Å; L51-A62 VanDerWaalsContact CD2-CB 3.43Å; L51-V102 HydrophobicContact CD2-CG1 4.2Å; L51-I104 HydrophobicContact CD1-CD1 3.95Å; L51-I104 HydrophobicContact CD2-CD1 4.11Å; L51-I104 HydrophobicContact CD2-CG1 4Å; L51-I120 HydrophobicContact CD1-CG2 3.79Å; L51-I121 HydrophobicContact CB-CG1 4.2Å; L51-I121 HydrophobicContact CD1-CG1 4.31Å |
| 52 | K | 95.9 | Very high | 94.1 | Very high | 102 Ų | 102 | 45.5 Ų | 45.5 | 44% | 0.443 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 179.1 | -177.3 | -179.6 | -179.4 | -179.3 | 0 | 113.1 | L48 Q49 G50 P56 | L48-K52 WeakPolarHBondContact O-CB 3.26Å; L48-K52 PolarHBondContact O-N 3.19Å; Q49-K52 PolarHBondContact O-N 3.24Å; G50-K52 VanDerWaalsContact C-N 3.33Å; G50-K52 PolarHBondContact O-N 3.37Å; K52-P56 WeakPolarHBondContact O-CA 3.36Å; K52-P56 WeakPolarHBondContact O-CD 3.42Å; K52-P56 VanDerWaalsContact O-CG 3.22Å; K52-P56 WeakPolarHBondContact O-CG 3.49Å |
| 53 | L | 95.9 | Very high | 94.1 | Very high | 70 Ų | 70 | 49.7 Ų | 49.7 | 37% | 0.366 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -78.2 | -35.4 | 179.5 | -69.8 | -179.4 | 0 | 0 | 0 | 112.5 | Q49 G50 L51 Q127 L128 | Q49-L53 PolarHBondContact O-N 3.32Å; G50-L53 PolarHBondContact O-N 3.13Å; L51-L53 PolarHBondContact O-N 3.25Å; L53-Q127 HydrophobicContact CD1-CB 4.14Å; L53-L128 HydrophobicContact CD1-CD2 3.46Å; L53-L128 VanDerWaalsContact CD1-CD2 3.46Å; L53-L128 HydrophobicContact CD1-CG 3.98Å |
| 54 | G | 95 | Very high | 94.1 | Very high | 23 Ų | 23 | 50.7 Ų | 50.7 | 24% | 0.237 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73.4 | -39.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | G50 L51 I120 | G50-G54 PolarHBondContact O-N 2.91Å; L51-G54 PolarHBondContact O-N 2.84Å; G54-I120 WeakPolarHBondContact CA-O 3.32Å |
| 55 | Q | 93.2 | Very high | 94.1 | Very high | 72 Ų | 72 | 52.3 Ų | 52.3 | 34% | 0.336 | 28% | 0.282 | S | S | . | . | trans | -151.9 | 90.5 | 175.8 | -175.4 | 59 | -68.2 | 0 | 0 | 111.3 | L51 S57 F58 I120 | L51-Q55 CarbonylContact O-C 3.52Å; L51-Q55 PolarHBondContact O-N 2.91Å; L51-Q55 VanDerWaalsContact O-O 3.12Å; Q55-S57 WeakPolarHBondContact CG-OG 3.31Å; Q55-S57 PolarHBondContact O-N 3.34Å; Q55-S57 VanDerWaalsContact O-N 3.13Å; Q55-S57 PolarHBondContact OE1-OG 3.04Å; Q55-F58 HydrophobicContact CB-CD2 3.74Å; Q55-F58 HydrophobicContact CB-CE2 4.16Å; Q55-F58 HydrophobicContact CB-CG 4.26Å; Q55-F58 HydrophobicContact CG-CB 4.29Å; Q55-F58 HydrophobicContact CG-CD1 4.1Å; Q55-F58 HydrophobicContact CG-CD2 3.34Å; Q55-F58 HydrophobicContact CG-CE1 4.21Å; Q55-F58 HydrophobicContact CG-CE2 3.49Å; Q55-F58 VanDerWaalsContact CG-CE2 3.49Å; Q55-F58 HydrophobicContact CG-CG 3.66Å; Q55-F58 HydrophobicContact CG-CZ 3.94Å; Q55-F58 PolarHBondContact O-N 2.94Å; Q55-I120 HydrophobicContact CB-CD1 4.27Å; Q55-I120 HydrophobicContact CB-CG1 4.36Å; Q55-I120 HydrophobicContact CB-CG2 3.69Å | ||
| 56 | P | 92.9 | Very high | 94.1 | Very high | 79 Ų | 79 | 55.3 Ų | 55.3 | 51% | 0.513 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -54 | -36.7 | -175.1 | -26.6 | 31.1 | 0 | 0 | 0 | 114.5 | K52 F58 S59 | K52-P56 WeakPolarHBondContact O-CA 3.36Å; K52-P56 WeakPolarHBondContact O-CD 3.42Å; K52-P56 VanDerWaalsContact O-CG 3.22Å; K52-P56 WeakPolarHBondContact O-CG 3.49Å; P56-F58 PolarHBondContact O-N 2.79Å; P56-S59 WeakPolarHBondContact O-CB 3.43Å; P56-S59 PolarHBondContact O-N 2.88Å; P56-S59 PolarHBondContact O-OG 2.86Å |
| 57 | S | 90.4 | Very high | 94.2 | Very high | 70 Ų | 70 | 55.6 Ų | 55.6 | 49% | 0.49 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.6 | -25.5 | -179.9 | 55.4 | 0 | 0 | 0 | 0 | 113.5 | Q55 | Q55-S57 WeakPolarHBondContact CG-OG 3.31Å; Q55-S57 PolarHBondContact O-N 3.34Å; Q55-S57 VanDerWaalsContact O-N 3.13Å; Q55-S57 PolarHBondContact OE1-OG 3.04Å |
| 58 | F | 89.8 | Confident | 94.3 | Very high | 14 Ų | 14 | 59.9 Ų | 59.9 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -84.7 | -15.3 | 177.9 | -64.3 | -14.7 | 0 | 0 | 0 | 113.2 | L51 Q55 P56 I104 E108 L112 I120 | L51-F58 HydrophobicContact CD1-CB 3.88Å; L51-F58 HydrophobicContact CD1-CD2 4.41Å; L51-F58 HydrophobicContact CD2-CB 4.38Å; L51-F58 HydrophobicContact CG-CB 4.21Å; Q55-F58 HydrophobicContact CB-CD2 3.74Å; Q55-F58 HydrophobicContact CB-CE2 4.16Å; Q55-F58 HydrophobicContact CB-CG 4.26Å; Q55-F58 HydrophobicContact CG-CB 4.29Å; Q55-F58 HydrophobicContact CG-CD1 4.1Å; Q55-F58 HydrophobicContact CG-CD2 3.34Å; Q55-F58 HydrophobicContact CG-CE1 4.21Å; Q55-F58 HydrophobicContact CG-CE2 3.49Å; Q55-F58 VanDerWaalsContact CG-CE2 3.49Å; Q55-F58 HydrophobicContact CG-CG 3.66Å; Q55-F58 HydrophobicContact CG-CZ 3.94Å; Q55-F58 PolarHBondContact O-N 2.94Å; P56-F58 PolarHBondContact O-N 2.79Å; F58-I104 HydrophobicContact CB-CG2 3.69Å; F58-I104 HydrophobicContact CD1-CG2 4.34Å; F58-I104 HydrophobicContact CG-CG2 4.03Å; F58-E108 HydrophobicContact CE1-CB 3.89Å; F58-E108 HydrophobicContact CZ-CB 4.3Å; F58-L112 HydrophobicContact CD2-CD1 3.75Å; F58-L112 HydrophobicContact CE2-CD1 3.24Å; F58-L112 HydrophobicContact CE2-CD2 3.9Å; F58-L112 HydrophobicContact CE2-CG 4.09Å; F58-L112 HydrophobicContact CZ-CD1 3.76Å; F58-L112 HydrophobicContact CZ-CD2 4.14Å; F58-L112 HydrophobicContact CZ-CG 4.29Å; F58-I120 HydrophobicContact CD2-CD1 4.13Å; F58-I120 HydrophobicContact CE2-CD1 3.81Å |
| 59 | S | 89 | Confident | 94.4 | Very high | 32 Ų | 32 | 57.8 Ų | 57.8 | 22% | 0.224 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -82 | -20.7 | -174.4 | 70.6 | 0 | 0 | 0 | 0 | 114.7 | P56 N61 A62 | P56-S59 WeakPolarHBondContact O-CB 3.43Å; P56-S59 PolarHBondContact O-N 2.88Å; P56-S59 PolarHBondContact O-OG 2.86Å; S59-N61 PolarHBondContact O-N 2.85Å; S59-A62 PolarHBondContact O-N 2.96Å; S59-A62 VanDerWaalsContact O-N 3.13Å |
| 60 | Q | 85.1 | Confident | 94.4 | Very high | 163 Ų | 163 | 56.5 Ų | 56.5 | 76% | 0.762 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22.8 | -164.8 | -165.2 | 169.5 | 29.1 | 0 | 0 | 114.2 | ||
| 61 | N | 87.5 | Confident | 94.5 | Very high | 96 Ų | 96 | 59.1 Ų | 59.1 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.1 | 27.5 | 174.9 | -68.1 | -63.8 | 0 | 0 | 0 | 111.5 | S59 | S59-N61 PolarHBondContact O-N 2.85Š|
| 62 | A | 94.2 | Very high | 94.4 | Very high | 17 Ų | 17 | 60.7 Ų | 60.7 | 14% | 0.14 | 33% | 0.332 | C | S | . | . | trans | -72.6 | 140.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L48 L51 S59 E103 | L48-A62 HydrophobicContact CD2-CB 3.75Å; L51-A62 HydrophobicContact CD2-CB 3.43Å; L51-A62 VanDerWaalsContact CD2-CB 3.43Å; S59-A62 PolarHBondContact O-N 2.96Å; S59-A62 VanDerWaalsContact O-N 3.13Å; A62-E103 CarbonylContact C-O 3.5Å; A62-E103 WeakPolarHBondContact CA-O 3.21Å | ||
| 63 | K | 96.8 | Very high | 94.2 | Very high | 121 Ų | 121 | 60.4 Ų | 60.4 | 53% | 0.526 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 141.9 | 177.4 | -60.1 | -179.8 | -178.8 | 175.4 | 0 | 110.2 | I65 V102 E103 | K63-I65 HydrophobicContact CB-CG2 4.03Å; K63-V102 CarbonylContact O-C 3.51Å; K63-V102 VanDerWaalsContact O-CA 3.3Å; K63-V102 WeakPolarHBondContact O-CA 3.39Å; K63-E103 HydrophobicContact CB-CB 4.32Å; K63-E103 PolarHBondContact N-O 3.2Å; K63-E103 PolarHBondContact O-N 3.46Å |
| 64 | C | 98.3 | Very high | 93.7 | Very high | 22 Ų | 22 | 58.2 Ų | 58.2 | 15% | 0.149 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 113.7 | 167.9 | 174.7 | 0 | 0 | 0 | 0 | 107.7 | C44 L48 N101 | C44-C64 WeakPolarHBondContact CA-SG 3.4Å; C44-C64 HydrophobicContact CB-CB 3.46Å; C44-C64 VanDerWaalsContact CB-CB 3.46Å; C44-C64 WeakPolarHBondContact CB-SG 3.24Å; C44-C64 WeakPolarHBondContact SG-CB 3.39Å; C44-C64 CovalentContact SG-SG 2.04Å; C44-C64 PolarHBondContact SG-SG 3.01Å; L48-C64 HydrophobicContact CD1-CB 4.15Å; L48-C64 HydrophobicContact CD2-CB 4.29Å; L48-C64 HydrophobicContact CG-CB 4.09Å; C64-N101 WeakPolarHBondContact CA-O 3.35Å |
| 65 | I | 97.4 | Very high | 92.8 | Very high | 52 Ų | 52 | 61.9 Ų | 61.9 | 27% | 0.267 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 173.7 | -173.2 | 66.3 | 171.5 | 0 | 0 | 0 | 110.6 | K63 V67 N101 E103 | K63-I65 HydrophobicContact CB-CG2 4.03Å; I65-V67 PolarHBondContact O-N 3.32Å; I65-N101 HydrophobicContact CG1-CB 3.92Å; I65-N101 PolarHBondContact N-O 3.11Å; I65-N101 PolarHBondContact O-N 3.31Å; I65-E103 VanDerWaalsContact CD1-CD 3.48Å; I65-E103 HydrophobicContact CD1-CG 4.03Å; I65-E103 VanDerWaalsContact CD1-OE1 3.24Å; I65-E103 WeakPolarHBondContact CD1-OE1 3.37Å; I65-E103 HydrophobicContact CG1-CG 4.43Å |
| 66 | N | 96.8 | Very high | 91.3 | Very high | 103 Ų | 103 | 60.7 Ų | 60.7 | 55% | 0.551 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.7 | 38.8 | 175.9 | -60.4 | -21 | 0 | 0 | 0 | 113.6 | L68 N101 | N66-L68 PolarHBondContact O-N 2.87Å; N66-N101 HydrophobicContact CB-CB 4.49Å; N66-N101 PolarHBondContact ND2-ND2 3.49Å; N66-N101 VanDerWaalsContact ND2-ND2 3.2Å |
| 67 | V | 98.5 | Very high | 89.3 | Confident | 13 Ų | 13 | 68 Ų | 68 | 8% | 0.079 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 136.6 | 175 | -173.8 | 0 | 0 | 0 | 0 | 109.4 | Y36 A40 F43 C44 I65 F69 T99 A100 | Y36-V67 PolarHBondContact OH-O 3.4Å; A40-V67 HydrophobicContact CB-CB 4.29Å; A40-V67 HydrophobicContact CB-CG1 3.93Å; A40-V67 HydrophobicContact CB-CG2 4.4Å; F43-V67 HydrophobicContact CD1-CG1 4.11Å; C44-V67 WeakPolarHBondContact SG-CG2 3.4Å; I65-V67 PolarHBondContact O-N 3.32Å; V67-F69 HydrophobicContact CG1-CE1 3.99Å; V67-F69 HydrophobicContact CG1-CE2 3.95Å; V67-F69 HydrophobicContact CG1-CZ 3.59Å; V67-T99 CarbonylContact C-O 3.56Å; V67-T99 VanDerWaalsContact CA-O 3.26Å; V67-T99 WeakPolarHBondContact CA-O 3.32Å; V67-A100 HydrophobicContact CG2-CB 4.05Å |
| 68 | L | 98.4 | Very high | 87.1 | Confident | 89 Ų | 89 | 71.5 Ų | 71.5 | 47% | 0.466 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 134.3 | 173.6 | 176.7 | 65.8 | 0 | 0 | 0 | 108.5 | N66 T70 T99 | N66-L68 PolarHBondContact O-N 2.87Å; L68-T70 HydrophobicContact CD2-CG2 4.19Å; L68-T70 HydrophobicContact CG-CG2 4.21Å; L68-T99 PolarHBondContact N-O 2.94Å; L68-T99 PolarHBondContact O-N 3.3Å |
| 69 | F | 98.5 | Very high | 84.8 | Confident | 5 Ų | 5 | 79 Ų | 79 | 2% | 0.022 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 139.2 | 170.7 | -61 | -56.6 | 0 | 0 | 0 | 109.6 | L13 W24 L28 Y36 L39 A40 F43 V67 V96 Q97 | L13-F69 HydrophobicContact CD1-CD1 4.05Å; L13-F69 HydrophobicContact CD1-CE1 3.69Å; W24-F69 HydrophobicContact CZ3-CB 3.96Å; L28-F69 HydrophobicContact CB-CB 4.1Å; L28-F69 HydrophobicContact CB-CD2 4.38Å; L28-F69 HydrophobicContact CD2-CD2 4.23Å; Y36-F69 AromaticContact CD2-CD2 3.67Å; Y36-F69 HydrophobicContact CD2-CD2 3.67Å; Y36-F69 AromaticContact CD2-CE2 4Å; Y36-F69 HydrophobicContact CD2-CE2 4Å; Y36-F69 AromaticContact CE2-CD2 3.76Å; Y36-F69 HydrophobicContact CE2-CD2 3.76Å; Y36-F69 HydrophobicContact CE2-CE2 4.05Å; L39-F69 HydrophobicContact CB-CE2 3.94Å; L39-F69 HydrophobicContact CB-CZ 3.98Å; L39-F69 HydrophobicContact CD2-CD1 4.19Å; L39-F69 HydrophobicContact CD2-CD2 4.18Å; L39-F69 HydrophobicContact CD2-CE1 4.02Å; L39-F69 HydrophobicContact CD2-CE2 3.96Å; L39-F69 HydrophobicContact CD2-CG 4.29Å; L39-F69 HydrophobicContact CD2-CZ 3.89Å; L39-F69 HydrophobicContact CG-CE1 4.01Å; L39-F69 HydrophobicContact CG-CE2 3.93Å; L39-F69 HydrophobicContact CG-CZ 3.59Å; A40-F69 HydrophobicContact CB-CE2 4.07Å; A40-F69 HydrophobicContact CB-CZ 4.2Å; F43-F69 HydrophobicContact CB-CZ 4.48Å; F43-F69 HydrophobicContact CD1-CE1 4.21Å; V67-F69 HydrophobicContact CG1-CE1 3.99Å; V67-F69 HydrophobicContact CG1-CE2 3.95Å; V67-F69 HydrophobicContact CG1-CZ 3.59Å; F69-V96 HydrophobicContact CB-CG1 3.93Å; F69-V96 HydrophobicContact CD1-CG1 3.67Å; F69-V96 HydrophobicContact CG-CG1 4.02Å; F69-Q97 WeakPolarHBondContact CA-O 3.14Å |
| 70 | T | 97.8 | Very high | 82.5 | Confident | 42 Ų | 42 | 89.5 Ų | 89.5 | 26% | 0.258 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 147.7 | 176.8 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | L68 Q97 | L68-T70 HydrophobicContact CD2-CG2 4.19Å; L68-T70 HydrophobicContact CG-CG2 4.21Å; T70-Q97 PolarHBondContact N-O 2.78Å; T70-Q97 PolarHBondContact O-N 2.88Å; T70-Q97 PolarHBondContact OG1-NE2 2.87Å; T70-Q97 PolarHBondContact OG1-O 2.83Å |
| 71 | P | 96.9 | Very high | 80.5 | Confident | 56 Ų | 56 | 89.1 Ų | 89.1 | 36% | 0.364 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 144.9 | 171.8 | 27.6 | -31.7 | 0 | 0 | 0 | 109.5 | W24 G95 | W24-P71 HydrophobicContact CB-CB 4.26Å; W24-P71 HydrophobicContact CD2-CB 3.68Å; W24-P71 HydrophobicContact CD2-CG 4.23Å; W24-P71 HydrophobicContact CE3-CB 4.1Å; W24-P71 HydrophobicContact CG-CB 3.72Å; W24-P71 HydrophobicContact CZ2-CG 4.37Å; P71-G95 WeakPolarHBondContact CA-O 3.3Å |
| 72 | V | 94.5 | Very high | 78.4 | Confident | 34 Ų | 34 | 92.1 Ų | 92.1 | 21% | 0.206 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 132.2 | 169.2 | 60.9 | 0 | 0 | 0 | 0 | 109.2 | V12 L74 G95 Q97 | V12-V72 HydrophobicContact CG1-CG1 4.11Å; V12-V72 HydrophobicContact CG2-CG1 4.31Å; V72-L74 HydrophobicContact CG1-CD2 4.1Å; V72-L74 PolarHBondContact O-N 3.36Å; V72-G95 PolarHBondContact N-O 3.29Å; V72-G95 PolarHBondContact O-N 3.43Å; V72-Q97 HydrophobicContact CB-CB 4.18Å; V72-Q97 HydrophobicContact CG1-CB 4.05Å |
| 73 | D | 91.5 | Very high | 76.2 | Confident | 96 Ų | 96 | 98.8 Ų | 98.8 | 51% | 0.513 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 119 | 178 | -67.6 | -19.8 | 0 | 0 | 0 | 109.8 | I92 Q94 | D73-I92 HydrophobicContact CB-CG2 3.7Å; D73-Q94 PolarHBondContact OD1-NE2 2.89Å |
| 74 | L | 85.8 | Confident | 73.7 | Confident | 24 Ų | 24 | 98.4 Ų | 98.4 | 13% | 0.126 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 107.7 | 175.5 | -57.9 | 179.8 | 0 | 0 | 0 | 108.4 | V12 P21 V72 S76 T93 | V12-L74 HydrophobicContact CG1-CD2 4.05Å; P21-L74 HydrophobicContact CB-CD1 3.19Å; P21-L74 HydrophobicContact CG-CD1 3.59Å; V72-L74 HydrophobicContact CG1-CD2 4.1Å; V72-L74 PolarHBondContact O-N 3.36Å; L74-S76 PolarHBondContact O-N 2.85Å; L74-S76 VanDerWaalsContact O-N 3.11Å; L74-T93 WeakPolarHBondContact CB-O 3.01Å; L74-T93 PolarHBondContact N-O 3.42Å; L74-T93 PolarHBondContact O-N 3.28Å |
| 75 | I | 74.8 | Confident | 71.2 | Confident | 99 Ų | 99 | 104.2 Ų | 104.2 | 51% | 0.508 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 102 | 174.5 | -56 | 174.4 | 0 | 0 | 0 | 107.3 | R77 Q90 | I75-R77 VanDerWaalsContact C-N 3.34Å; I75-R77 PolarHBondContact O-N 3.13Å; I75-Q90 HydrophobicContact CG2-CB 4.49Å |
| 76 | S | 62.7 | Low | 68.9 | Low | 47 Ų | 47 | 109.7 Ų | 109.7 | 33% | 0.329 | 54% | 0.538 | S | S | . | . | trans | -65.3 | 98.7 | 167.2 | -168.8 | 0 | 0 | 0 | 0 | 107.6 | L74 Q78 | L74-S76 PolarHBondContact O-N 2.85Å; L74-S76 VanDerWaalsContact O-N 3.11Å; S76-Q78 PolarHBondContact O-N 3.21Å | ||
| 77 | R | 50.1 | Low | 66.6 | Low | 234 Ų | 234 | 108.6 Ų | 108.6 | 88% | 0.883 | 54% | 0.539 | S | S | * | . | trans | -70.5 | 60.9 | 164.7 | -61 | -169.1 | -163.5 | -174.1 | 5.6 | 108.1 | I75 K79 | I75-R77 VanDerWaalsContact C-N 3.34Å; I75-R77 PolarHBondContact O-N 3.13Å; R77-K79 PolarHBondContact O-N 2.94Å | ||
| 78 | Q | 45.9 | Very low | 64.3 | Low | 142 Ų | 142 | 114.7 Ų | 114.7 | 66% | 0.664 | 57% | 0.57 | S | S | * | * | trans | -58.5 | 110.7 | 164.7 | -91.9 | -178.7 | 9.6 | 0 | 0 | 106.3 | S76 | S76-Q78 PolarHBondContact O-N 3.21Š| ||
| 79 | K | 41.6 | Very low | 62 | Low | 172 Ų | 172 | 116.6 Ų | 116.6 | 75% | 0.748 | 58% | 0.58 | S | S | * | * | trans | 21.7 | 124 | 155.9 | -65.9 | 175.3 | 178.9 | 176.4 | 0 | 113.6 | R77 Q81 | R77-K79 PolarHBondContact O-N 2.94Å; K79-Q81 PolarHBondContact O-N 3.2Å | ||
| 80 | R | 40.7 | Very low | 59.9 | Low | 253 Ų | 253 | 120.1 Ų | 120.1 | 96% | 0.955 | 60% | 0.597 | S | S | * | * | trans | -50.4 | 78.1 | 152 | -70.1 | 177.2 | 175.3 | 179.1 | -2.4 | 109.3 | ||||
| 81 | Q | 42.2 | Very low | 58.3 | Low | 155 Ų | 155 | 123 Ų | 123 | 72% | 0.724 | 61% | 0.611 | S | S | * | * | trans | -102.2 | 111.4 | 157.6 | -88.9 | -170 | -11.4 | 0 | 0 | 104.2 | K79 Q83 | K79-Q81 PolarHBondContact O-N 3.2Å; Q81-Q83 VanDerWaalsContact C-N 3.28Å; Q81-Q83 PolarHBondContact O-N 3.48Å | ||
| 82 | I | 43.9 | Very low | 57.3 | Low | 158 Ų | 158 | 124.9 Ų | 124.9 | 81% | 0.81 | 62% | 0.617 | S | S | * | * | trans | -61.8 | 91.6 | 179.5 | -59.5 | 160.8 | 0 | 0 | 0 | 106.2 | ||||
| 83 | Q | 46.6 | Very low | 56.9 | Low | 157 Ų | 157 | 125.8 Ų | 125.8 | 73% | 0.734 | 62% | 0.622 | S | S | * | * | trans | -123.9 | 87.1 | 158.3 | -74.3 | -168.4 | 6.4 | 0 | 0 | 107.1 | Q81 | Q81-Q83 VanDerWaalsContact C-N 3.28Å; Q81-Q83 PolarHBondContact O-N 3.48Å | ||
| 84 | T | 44.8 | Very low | 56.9 | Low | 114 Ų | 114 | 125.7 Ų | 125.7 | 70% | 0.699 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -24.8 | 129.4 | 155.4 | 35.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 85 | T | 46.9 | Very low | 57.2 | Low | 143 Ų | 143 | 124.5 Ų | 124.5 | 88% | 0.877 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.9 | 0.1 | 158.7 | 66.9 | 0 | 0 | 0 | 0 | 120.9 | ||
| 86 | Q | 47.1 | Very low | 58.3 | Low | 167 Ų | 167 | 119.8 Ų | 119.8 | 78% | 0.78 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -101.8 | 133 | 170.1 | -68.4 | -179.1 | 0.4 | 0 | 0 | 109.8 | ||
| 87 | S | 49.1 | Very low | 60 | Low | 81 Ų | 81 | 119 Ų | 119 | 57% | 0.566 | 58% | 0.58 | S | S | * | * | trans | -41.9 | 146.6 | -174.2 | 38.6 | 0 | 0 | 0 | 0 | 111.4 | D89 | S87-D89 VanDerWaalsContact CB-OD2 3.32Å; S87-D89 WeakPolarHBondContact CB-OD2 3.49Å; S87-D89 PolarHBondContact O-N 3.3Å; S87-D89 VanDerWaalsContact OG-CG 3.31Å; S87-D89 PolarHBondContact OG-OD2 3.12Å | ||
| 88 | L | 50.4 | Low | 62.3 | Low | 140 Ų | 140 | 107.9 Ų | 107.9 | 73% | 0.733 | 54% | 0.538 | S | S | * | . | trans | -64.1 | 36.5 | 164.7 | -156.2 | 81.6 | 0 | 0 | 0 | 110.8 | Q90 | L88-Q90 HydrophobicContact CD1-CG 4.13Å; L88-Q90 HydrophobicContact CG-CG 3.88Å; L88-Q90 PolarHBondContact O-N 2.93Å | ||
| 89 | D | 50.3 | Low | 64.8 | Low | 129 Ų | 129 | 102 Ų | 102 | 69% | 0.69 | 51% | 0.512 | S | S | * | . | trans | -71.7 | 59.9 | 159.7 | -62.3 | -31 | 0 | 0 | 0 | 106.3 | S87 N91 | S87-D89 VanDerWaalsContact CB-OD2 3.32Å; S87-D89 WeakPolarHBondContact CB-OD2 3.49Å; S87-D89 PolarHBondContact O-N 3.3Å; S87-D89 VanDerWaalsContact OG-CG 3.31Å; S87-D89 PolarHBondContact OG-OD2 3.12Å; D89-N91 PolarHBondContact O-N 3.28Å | ||
| 90 | Q | 54.4 | Low | 67.5 | Low | 80 Ų | 80 | 93.9 Ų | 93.9 | 37% | 0.374 | 48% | 0.476 | S | S | . | . | trans | -47.7 | 129 | 164.2 | -72.8 | 179.3 | -13.6 | 0 | 0 | 105.4 | I75 L88 I92 | I75-Q90 HydrophobicContact CG2-CB 4.49Å; L88-Q90 HydrophobicContact CD1-CG 4.13Å; L88-Q90 HydrophobicContact CG-CG 3.88Å; L88-Q90 PolarHBondContact O-N 2.93Å; Q90-I92 PolarHBondContact O-N 2.76Å | ||
| 91 | N | 63.7 | Low | 70.2 | Confident | 103 Ų | 103 | 82.8 Ų | 82.8 | 55% | 0.551 | 44% | 0.436 | S | S | * | . | trans | -58.9 | 83.9 | 176.2 | -70.1 | -42.8 | 0 | 0 | 0 | 108.8 | D89 T93 | D89-N91 PolarHBondContact O-N 3.28Å; N91-T93 PolarHBondContact O-N 3.47Å | ||
| 92 | I | 75.4 | Confident | 72.8 | Confident | 95 Ų | 95 | 75.4 Ų | 75.4 | 49% | 0.487 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 113.4 | 171.2 | -64.7 | 171.2 | 0 | 0 | 0 | 104.6 | D73 Q90 | D73-I92 HydrophobicContact CB-CG2 3.7Å; Q90-I92 PolarHBondContact O-N 2.76Å |
| 93 | T | 87 | Confident | 75.2 | Confident | 52 Ų | 52 | 70 Ų | 70 | 32% | 0.319 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 141.9 | 169.4 | 55.8 | 0 | 0 | 0 | 0 | 108.4 | Y23 L74 N91 G95 | Y23-T93 HydrophobicContact CE1-CG2 4.36Å; L74-T93 WeakPolarHBondContact CB-O 3.01Å; L74-T93 PolarHBondContact N-O 3.42Å; L74-T93 PolarHBondContact O-N 3.28Å; N91-T93 PolarHBondContact O-N 3.47Å; T93-G95 PolarHBondContact O-N 2.84Å |
| 94 | Q | 90.7 | Very high | 77.5 | Confident | 94 Ų | 94 | 62.6 Ų | 62.6 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 113.9 | 175.2 | -64.8 | -163.5 | -52.7 | 0 | 0 | 109.3 | Y23 W24 D73 | Y23-Q94 WeakPolarHBondContact CA-O 3.45Å; W24-Q94 HydrophobicContact CB-CB 3.77Å; W24-Q94 PolarHBondContact N-O 2.83Å; D73-Q94 PolarHBondContact OD1-NE2 2.89Å |
| 95 | G | 93.8 | Very high | 79.6 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 178.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H22 P71 V72 T93 | H22-G95 CarbonylContact O-C 3.38Å; H22-G95 WeakPolarHBondContact O-CA 3.33Å; P71-G95 WeakPolarHBondContact CA-O 3.3Å; V72-G95 PolarHBondContact N-O 3.29Å; V72-G95 PolarHBondContact O-N 3.43Å; T93-G95 PolarHBondContact O-N 2.84Å |
| 96 | V | 97.2 | Very high | 81.4 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.6 | 173.9 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | L13 H22 W24 L28 L39 F69 | L13-V96 HydrophobicContact CB-CB 4.43Å; L13-V96 HydrophobicContact CD1-CB 4.4Å; L13-V96 HydrophobicContact CD1-CG1 3.82Å; L13-V96 HydrophobicContact CG-CG1 4.31Å; L13-V96 PolarHBondContact N-O 3.24Å; H22-V96 HydrophobicContact CB-CB 4.09Å; H22-V96 HydrophobicContact CB-CG2 3.99Å; H22-V96 WeakPolarHBondContact O-CG2 3.45Å; H22-V96 PolarHBondContact O-N 2.76Å; W24-V96 HydrophobicContact CE3-CG2 4.24Å; L28-V96 HydrophobicContact CD1-CB 4.49Å; L28-V96 HydrophobicContact CD1-CG1 4.13Å; L28-V96 HydrophobicContact CD1-CG2 3.48Å; L28-V96 VanDerWaalsContact CD1-CG2 3.48Å; L39-V96 HydrophobicContact CD2-CG1 4.1Å; F69-V96 HydrophobicContact CB-CG1 3.93Å; F69-V96 HydrophobicContact CD1-CG1 3.67Å; F69-V96 HydrophobicContact CG-CG1 4.02Å |
| 97 | Q | 97.7 | Very high | 83 | Confident | 30 Ų | 30 | 48 Ų | 48 | 14% | 0.14 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 119.1 | 164.6 | -177.6 | -176.9 | -97 | 0 | 0 | 109.7 | K10 A11 F69 T70 V72 | K10-Q97 HydrophobicContact CG-CG 4.01Å; K10-Q97 VanDerWaalsContact NZ-CD 3.31Å; K10-Q97 VanDerWaalsContact NZ-OE1 3.11Å; A11-Q97 CarbonylContact O-C 3.55Å; A11-Q97 WeakPolarHBondContact O-CA 3.43Å; F69-Q97 WeakPolarHBondContact CA-O 3.14Å; T70-Q97 PolarHBondContact N-O 2.78Å; T70-Q97 PolarHBondContact O-N 2.88Å; T70-Q97 PolarHBondContact OG1-NE2 2.87Å; T70-Q97 PolarHBondContact OG1-O 2.83Å; V72-Q97 HydrophobicContact CB-CB 4.18Å; V72-Q97 HydrophobicContact CG1-CB 4.05Å |
| 98 | G | 98.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 134.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K10 A11 | K10-G98 VanDerWaalsContact CA-O 3.32Å; K10-G98 WeakPolarHBondContact CA-O 3.21Å; A11-G98 PolarHBondContact N-O 3.2Å; A11-G98 PolarHBondContact O-N 3.11Å |
| 99 | T | 98.5 | Very high | 86.2 | Confident | 20 Ų | 20 | 42.8 Ų | 42.8 | 12% | 0.123 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 137.5 | 167.5 | -54.9 | 0 | 0 | 0 | 0 | 108.6 | Q8 V9 V67 L68 | Q8-T99 HydrophobicContact CG-CG2 3.71Å; V9-T99 CarbonylContact O-C 3.57Å; V9-T99 VanDerWaalsContact O-CA 3.22Å; V9-T99 WeakPolarHBondContact O-CA 3.22Å; V67-T99 CarbonylContact C-O 3.56Å; V67-T99 VanDerWaalsContact CA-O 3.26Å; V67-T99 WeakPolarHBondContact CA-O 3.32Å; L68-T99 PolarHBondContact N-O 2.94Å; L68-T99 PolarHBondContact O-N 3.3Å |
| 100 | A | 98.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 161.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q8 V9 F43 L47 V67 | Q8-A100 CarbonylContact C-O 3.55Å; Q8-A100 WeakPolarHBondContact CA-O 3.26Å; V9-A100 PolarHBondContact N-O 3.5Å; V9-A100 PolarHBondContact O-N 2.73Å; F43-A100 HydrophobicContact CD1-CB 4.26Å; F43-A100 HydrophobicContact CE1-CB 3.63Å; F43-A100 HydrophobicContact CZ-CB 4.46Å; L47-A100 HydrophobicContact CD1-CB 4.33Å; V67-A100 HydrophobicContact CG2-CB 4.05Å |
| 101 | N | 97.5 | Very high | 88.9 | Confident | 20 Ų | 20 | 40.1 Ų | 40.1 | 11% | 0.107 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 124.8 | 169.8 | -67.6 | -9.1 | 0 | 0 | 0 | 109 | T6 F7 C64 I65 N66 | T6-N101 HydrophobicContact CG2-CB 3.81Å; F7-N101 CarbonylContact O-C 3.54Å; F7-N101 WeakPolarHBondContact O-CA 3.34Å; C64-N101 WeakPolarHBondContact CA-O 3.35Å; I65-N101 HydrophobicContact CG1-CB 3.92Å; I65-N101 PolarHBondContact N-O 3.11Å; I65-N101 PolarHBondContact O-N 3.31Å; N66-N101 HydrophobicContact CB-CB 4.49Å; N66-N101 PolarHBondContact ND2-ND2 3.49Å; N66-N101 VanDerWaalsContact ND2-ND2 3.2Å |
| 102 | V | 97.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 114.7 | 169.7 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | T6 F7 V9 L47 L51 K63 I104 | T6-V102 WeakPolarHBondContact CA-O 3.36Å; F7-V102 PolarHBondContact N-O 3.07Å; F7-V102 PolarHBondContact O-N 2.9Å; V9-V102 HydrophobicContact CG2-CB 4.37Å; V9-V102 HydrophobicContact CG2-CG2 3.7Å; L47-V102 HydrophobicContact CB-CG2 4.4Å; L47-V102 HydrophobicContact CD1-CG2 4.17Å; L51-V102 HydrophobicContact CD2-CG1 4.2Å; K63-V102 CarbonylContact O-C 3.51Å; K63-V102 VanDerWaalsContact O-CA 3.3Å; K63-V102 WeakPolarHBondContact O-CA 3.39Å; V102-I104 HydrophobicContact CG1-CG1 4.13Å |
| 103 | E | 95.1 | Very high | 90.8 | Very high | 46 Ų | 46 | 35.6 Ų | 35.6 | 22% | 0.215 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 127.1 | 173.5 | -67 | -172.3 | 156.7 | 0 | 0 | 109.6 | V4 S5 T6 A62 K63 I65 | V4-E103 HydrophobicContact CG1-CB 3.78Å; V4-E103 HydrophobicContact CG1-CG 4.08Å; S5-E103 WeakPolarHBondContact O-CA 3.04Å; T6-E103 HydrophobicContact CG2-CG 3.99Å; A62-E103 CarbonylContact C-O 3.5Å; A62-E103 WeakPolarHBondContact CA-O 3.21Å; K63-E103 HydrophobicContact CB-CB 4.32Å; K63-E103 PolarHBondContact N-O 3.2Å; K63-E103 PolarHBondContact O-N 3.46Å; I65-E103 VanDerWaalsContact CD1-CD 3.48Å; I65-E103 HydrophobicContact CD1-CG 4.03Å; I65-E103 VanDerWaalsContact CD1-OE1 3.24Å; I65-E103 WeakPolarHBondContact CD1-OE1 3.37Å; I65-E103 HydrophobicContact CG1-CG 4.43Å |
| 104 | I | 93.3 | Very high | 91 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 115.3 | 177 | -54.2 | 177.6 | 0 | 0 | 0 | 108.2 | V4 S5 F7 L51 F58 V102 S106 A109 L112 | V4-I104 WeakPolarHBondContact CA-O 3.4Å; S5-I104 PolarHBondContact N-O 2.83Å; S5-I104 PolarHBondContact O-N 2.97Å; F7-I104 HydrophobicContact CD2-CD1 4.15Å; F7-I104 HydrophobicContact CE2-CD1 4.11Å; L51-I104 HydrophobicContact CD1-CD1 3.95Å; L51-I104 HydrophobicContact CD2-CD1 4.11Å; L51-I104 HydrophobicContact CD2-CG1 4Å; F58-I104 HydrophobicContact CB-CG2 3.69Å; F58-I104 HydrophobicContact CD1-CG2 4.34Å; F58-I104 HydrophobicContact CG-CG2 4.03Å; V102-I104 HydrophobicContact CG1-CG1 4.13Å; I104-S106 PolarHBondContact O-N 2.91Å; I104-A109 HydrophobicContact CB-CB 3.83Å; I104-A109 HydrophobicContact CG2-CB 3.45Å; I104-A109 VanDerWaalsContact CG2-CB 3.45Å; I104-L112 HydrophobicContact CD1-CD1 4.5Å |
| 105 | S | 88.8 | Confident | 91.1 | Very high | 30 Ų | 30 | 33.9 Ų | 33.9 | 21% | 0.21 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 74.3 | -179.7 | -58.6 | 0 | 0 | 0 | 0 | 110.5 | ||
| 106 | S | 85.2 | Confident | 91.1 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | trans | -144.7 | 141.7 | 176.9 | 135.4 | 0 | 0 | 0 | 0 | 110.4 | R3 I104 E108 A109 | R3-S106 PolarHBondContact O-N 3.39Å; I104-S106 PolarHBondContact O-N 2.91Å; S106-E108 PolarHBondContact O-N 2.83Å; S106-E108 PolarHBondContact OG-N 2.83Å; S106-E108 VanDerWaalsContact OG-N 3.14Å; S106-E108 PolarHBondContact OG-OE2 3.44Å; S106-A109 WeakPolarHBondContact O-CB 3.47Å; S106-A109 PolarHBondContact O-N 3.17Å; S106-A109 VanDerWaalsContact O-N 3.16Å; S106-A109 PolarHBondContact OG-N 2.83Å; S106-A109 VanDerWaalsContact OG-N 3.14Å | ||
| 107 | P | 81.3 | Confident | 90.9 | Very high | 79 Ų | 79 | 35.8 Ų | 35.8 | 51% | 0.513 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -40 | 172.5 | -25 | 34.4 | 0 | 0 | 0 | 113.1 | A109 A110 | P107-A109 VanDerWaalsContact C-N 3.28Å; P107-A109 PolarHBondContact O-N 2.88Å; P107-A110 WeakPolarHBondContact O-CB 3.24Å; P107-A110 PolarHBondContact O-N 2.04Å |
| 108 | E | 83.5 | Confident | 90.8 | Very high | 112 Ų | 112 | 36.4 Ų | 36.4 | 52% | 0.523 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -69.9 | -26.4 | 179.6 | -54.7 | 75.4 | -161.2 | 0 | 0 | 111.8 | F58 S106 A110 V111 | F58-E108 HydrophobicContact CE1-CB 3.89Å; F58-E108 HydrophobicContact CZ-CB 4.3Å; S106-E108 PolarHBondContact O-N 2.83Å; S106-E108 PolarHBondContact OG-N 2.83Å; S106-E108 VanDerWaalsContact OG-N 3.14Å; S106-E108 PolarHBondContact OG-OE2 3.44Å; E108-A110 PolarHBondContact O-N 2.93Å; E108-V111 WeakPolarHBondContact O-CG2 3.32Å; E108-V111 PolarHBondContact O-N 3.42Å |
| 109 | A | 82.6 | Confident | 90.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -64.1 | -24.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | S5 I104 S106 P107 V111 L112 | S5-A109 PolarHBondContact OG-O 2.86Å; S5-A109 VanDerWaalsContact OG-O 3.13Å; I104-A109 HydrophobicContact CB-CB 3.83Å; I104-A109 HydrophobicContact CG2-CB 3.45Å; I104-A109 VanDerWaalsContact CG2-CB 3.45Å; S106-A109 WeakPolarHBondContact O-CB 3.47Å; S106-A109 PolarHBondContact O-N 3.17Å; S106-A109 VanDerWaalsContact O-N 3.16Å; S106-A109 PolarHBondContact OG-N 2.83Å; S106-A109 VanDerWaalsContact OG-N 3.14Å; P107-A109 VanDerWaalsContact C-N 3.28Å; P107-A109 PolarHBondContact O-N 2.88Å; A109-V111 PolarHBondContact O-N 2.87Å; A109-L112 HydrophobicContact CB-CD1 4.09Å; A109-L112 WeakPolarHBondContact O-CB 3.43Å; A109-L112 PolarHBondContact O-N 2.9Å; A109-L112 VanDerWaalsContact O-N 3.11Å |
| 110 | A | 78.7 | Confident | 90.5 | Very high | 27 Ų | 27 | 43.6 Ų | 43.6 | 22% | 0.223 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -65.9 | -20.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R3 S5 P107 E108 | R3-A110 HydrophobicContact CB-CB 4.42Å; S5-A110 VanDerWaalsContact OG-CA 3.28Å; S5-A110 WeakPolarHBondContact OG-CA 3.24Å; S5-A110 PolarHBondContact OG-N 2.84Å; P107-A110 WeakPolarHBondContact O-CB 3.24Å; P107-A110 PolarHBondContact O-N 2.04Å; E108-A110 PolarHBondContact O-N 2.93Å |
| 111 | V | 83.8 | Confident | 90.4 | Very high | 127 Ų | 127 | 43.6 Ų | 43.6 | 77% | 0.77 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -100 | -3.4 | 177.1 | -61.3 | 0 | 0 | 0 | 0 | 112.9 | E108 A109 | E108-V111 WeakPolarHBondContact O-CG2 3.32Å; E108-V111 PolarHBondContact O-N 3.42Å; A109-V111 PolarHBondContact O-N 2.87Å |
| 112 | L | 87.9 | Confident | 90.3 | Very high | 25 Ų | 25 | 44 Ų | 44 | 13% | 0.131 | 26% | 0.26 | C | S | . | . | trans | -71.3 | 133.3 | 178.2 | -62.8 | 173.1 | 0 | 0 | 0 | 110.8 | F7 F58 I104 A109 V117 I120 N143 | F7-L112 HydrophobicContact CZ-CB 3.88Å; F58-L112 HydrophobicContact CD2-CD1 3.75Å; F58-L112 HydrophobicContact CE2-CD1 3.24Å; F58-L112 HydrophobicContact CE2-CD2 3.9Å; F58-L112 HydrophobicContact CE2-CG 4.09Å; F58-L112 HydrophobicContact CZ-CD1 3.76Å; F58-L112 HydrophobicContact CZ-CD2 4.14Å; F58-L112 HydrophobicContact CZ-CG 4.29Å; I104-L112 HydrophobicContact CD1-CD1 4.5Å; A109-L112 HydrophobicContact CB-CD1 4.09Å; A109-L112 WeakPolarHBondContact O-CB 3.43Å; A109-L112 PolarHBondContact O-N 2.9Å; A109-L112 VanDerWaalsContact O-N 3.11Å; L112-V117 HydrophobicContact CB-CG2 3.9Å; L112-V117 HydrophobicContact CD1-CG2 3.99Å; L112-I120 HydrophobicContact CD2-CD1 4.43Å; L112-N143 PolarHBondContact O-ND2 3.43Å | ||
| 113 | N | 89.9 | Confident | 90.2 | Very high | 78 Ų | 78 | 46.3 Ų | 46.3 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | trans | -96.7 | 171.1 | 169.7 | 64.3 | 39.7 | 0 | 0 | 0 | 110.7 | S115 S116 V117 | N113-S115 VanDerWaalsContact C-N 3.33Å; N113-S115 PolarHBondContact O-N 3.49Å; N113-S115 PolarHBondContact OD1-N 3.39Å; N113-S115 PolarHBondContact OD1-OG 3.48Å; N113-S116 PolarHBondContact O-N 2.75Å; N113-S116 PolarHBondContact OD1-N 2.86Å; N113-S116 PolarHBondContact OD1-OG 3.32Å; N113-S116 VanDerWaalsContact OD1-OG 3.07Å; N113-V117 PolarHBondContact O-N 2.81Å | ||
| 114 | S | 92.5 | Very high | 90.2 | Very high | 35 Ų | 35 | 44.1 Ų | 44.1 | 25% | 0.245 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -52.9 | -44 | 178.4 | -81.4 | 0 | 0 | 0 | 0 | 114.4 | V117 T118 I141 N142 N143 | S114-V117 PolarHBondContact O-N 3.3Å; S114-T118 WeakPolarHBondContact O-CB 3.44Å; S114-T118 PolarHBondContact O-N 2.99Å; S114-T118 PolarHBondContact O-OG1 2.73Å; S114-I141 WeakPolarHBondContact CB-O 3.15Å; S114-I141 PolarHBondContact OG-O 3.32Å; S114-N142 VanDerWaalsContact OG-CA 3.27Å; S114-N142 WeakPolarHBondContact OG-CA 3.3Å; S114-N143 PolarHBondContact OG-N 3.36Å |
| 115 | S | 92.5 | Very high | 90.3 | Very high | 74 Ų | 74 | 46 Ų | 46 | 52% | 0.517 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | -177.7 | 43.2 | 0 | 0 | 0 | 0 | 111.5 | N113 V117 T118 E119 | N113-S115 VanDerWaalsContact C-N 3.33Å; N113-S115 PolarHBondContact O-N 3.49Å; N113-S115 PolarHBondContact OD1-N 3.39Å; N113-S115 PolarHBondContact OD1-OG 3.48Å; S115-V117 PolarHBondContact O-N 3.21Å; S115-T118 WeakPolarHBondContact O-CB 3.35Å; S115-T118 PolarHBondContact O-N 3.17Å; S115-E119 PolarHBondContact O-N 2.94Å |
| 116 | S | 92.4 | Very high | 90.4 | Very high | 39 Ų | 39 | 49.1 Ų | 49.1 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 177.5 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | N113 T118 E119 I120 | N113-S116 PolarHBondContact O-N 2.75Å; N113-S116 PolarHBondContact OD1-N 2.86Å; N113-S116 PolarHBondContact OD1-OG 3.32Å; N113-S116 VanDerWaalsContact OD1-OG 3.07Å; S116-T118 VanDerWaalsContact C-N 3.33Å; S116-T118 PolarHBondContact O-N 2.78Å; S116-E119 PolarHBondContact O-N 2.83Å; S116-I120 WeakPolarHBondContact O-CB 3.33Å; S116-I120 WeakPolarHBondContact O-CD1 3.34Å; S116-I120 WeakPolarHBondContact O-CG1 3.27Å; S116-I120 PolarHBondContact O-N 3.35Å |
| 117 | V | 93.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.1 | -34.3 | 177.6 | -177.7 | 0 | 0 | 0 | 0 | 111.7 | F7 L112 N113 S114 S115 I120 I121 I141 | F7-V117 HydrophobicContact CB-CG1 4.48Å; F7-V117 HydrophobicContact CD1-CB 4.17Å; F7-V117 HydrophobicContact CD1-CG1 4.38Å; F7-V117 HydrophobicContact CD1-CG2 3.81Å; F7-V117 HydrophobicContact CD2-CG1 4.41Å; F7-V117 HydrophobicContact CD2-CG2 4.12Å; F7-V117 HydrophobicContact CE1-CB 4.3Å; F7-V117 HydrophobicContact CE1-CG2 3.5Å; F7-V117 VanDerWaalsContact CE1-CG2 3.5Å; F7-V117 HydrophobicContact CE2-CG2 3.84Å; F7-V117 HydrophobicContact CG-CB 4.44Å; F7-V117 HydrophobicContact CG-CG1 4.17Å; F7-V117 HydrophobicContact CG-CG2 4.13Å; F7-V117 HydrophobicContact CZ-CG2 3.54Å; L112-V117 HydrophobicContact CB-CG2 3.9Å; L112-V117 HydrophobicContact CD1-CG2 3.99Å; N113-V117 PolarHBondContact O-N 2.81Å; S114-V117 PolarHBondContact O-N 3.3Å; S115-V117 PolarHBondContact O-N 3.21Å; V117-I120 PolarHBondContact O-N 2.88Å; V117-I121 HydrophobicContact CG1-CD1 3.86Å; V117-I121 HydrophobicContact CG1-CG1 4.26Å; V117-I121 PolarHBondContact O-N 3.41Å; V117-I141 HydrophobicContact CB-CG2 4.32Å; V117-I141 HydrophobicContact CG1-CD1 4.16Å; V117-I141 HydrophobicContact CG1-CG2 4.03Å |
| 118 | T | 95.8 | Very high | 91.1 | Very high | 43 Ų | 43 | 51.8 Ų | 51.8 | 26% | 0.264 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 174.1 | -56.6 | 0 | 0 | 0 | 0 | 111.3 | S114 S115 S116 G122 I141 | S114-T118 WeakPolarHBondContact O-CB 3.44Å; S114-T118 PolarHBondContact O-N 2.99Å; S114-T118 PolarHBondContact O-OG1 2.73Å; S115-T118 WeakPolarHBondContact O-CB 3.35Å; S115-T118 PolarHBondContact O-N 3.17Å; S116-T118 VanDerWaalsContact C-N 3.33Å; S116-T118 PolarHBondContact O-N 2.78Å; T118-G122 WeakPolarHBondContact O-CA 3.21Å; T118-G122 PolarHBondContact O-N 3.3Å; T118-I141 WeakPolarHBondContact OG1-CB 3.37Å |
| 119 | E | 95.5 | Very high | 91 | Very high | 146 Ų | 146 | 54.5 Ų | 54.5 | 68% | 0.682 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.9 | -44.6 | 175.6 | -87.6 | 178.3 | 167.2 | 0 | 0 | 112.4 | S115 S116 S123 | S115-E119 PolarHBondContact O-N 2.94Å; S116-E119 PolarHBondContact O-N 2.83Å; E119-S123 WeakPolarHBondContact O-CB 3.12Å; E119-S123 PolarHBondContact O-N 2.76Å; E119-S123 PolarHBondContact O-OG 3.11Å |
| 120 | I | 95.4 | Very high | 90.8 | Very high | 25 Ų | 25 | 59.1 Ų | 59.1 | 13% | 0.128 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.5 | -54.5 | 178.9 | -71.7 | 164.9 | 0 | 0 | 0 | 110.4 | L51 G54 Q55 F58 L112 S116 V117 S123 G124 | L51-I120 HydrophobicContact CD1-CG2 3.79Å; G54-I120 WeakPolarHBondContact CA-O 3.32Å; Q55-I120 HydrophobicContact CB-CD1 4.27Å; Q55-I120 HydrophobicContact CB-CG1 4.36Å; Q55-I120 HydrophobicContact CB-CG2 3.69Å; F58-I120 HydrophobicContact CD2-CD1 4.13Å; F58-I120 HydrophobicContact CE2-CD1 3.81Å; L112-I120 HydrophobicContact CD2-CD1 4.43Å; S116-I120 WeakPolarHBondContact O-CB 3.33Å; S116-I120 WeakPolarHBondContact O-CD1 3.34Å; S116-I120 WeakPolarHBondContact O-CG1 3.27Å; S116-I120 PolarHBondContact O-N 3.35Å; V117-I120 PolarHBondContact O-N 2.88Å; I120-S123 PolarHBondContact O-OG 2.91Å; I120-S123 VanDerWaalsContact O-OG 3.12Å; I120-G124 PolarHBondContact O-N 3.49Å |
| 121 | I | 96.4 | Very high | 91 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.7 | -42.6 | -177.4 | -66.4 | -177.6 | 0 | 0 | 0 | 110.6 | L47 L51 V117 G124 I125 L139 I141 | L47-I121 HydrophobicContact CD2-CG2 4.06Å; L51-I121 HydrophobicContact CB-CG1 4.2Å; L51-I121 HydrophobicContact CD1-CG1 4.31Å; V117-I121 HydrophobicContact CG1-CD1 3.86Å; V117-I121 HydrophobicContact CG1-CG1 4.26Å; V117-I121 PolarHBondContact O-N 3.41Å; I121-G124 PolarHBondContact O-N 2.91Å; I121-I125 HydrophobicContact CG2-CD1 3.74Å; I121-I125 HydrophobicContact CG2-CG1 4.32Å; I121-I125 WeakPolarHBondContact O-CB 3.36Å; I121-I125 VanDerWaalsContact O-CG1 3.26Å; I121-I125 WeakPolarHBondContact O-CG1 3.44Å; I121-I125 PolarHBondContact O-N 2.98Å; I121-L139 HydrophobicContact CG2-CD2 4.48Å; I121-I141 HydrophobicContact CB-CD1 4.24Å; I121-I141 HydrophobicContact CD1-CD1 3.92Å; I121-I141 HydrophobicContact CG1-CD1 4.49Å |
| 122 | G | 95 | Very high | 91.1 | Very high | 29 Ų | 29 | 58.2 Ų | 58.2 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.4 | -48 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T118 I125 S126 | T118-G122 WeakPolarHBondContact O-CA 3.21Å; T118-G122 PolarHBondContact O-N 3.3Å; G122-I125 PolarHBondContact O-N 2.82Å; G122-S126 PolarHBondContact O-N 2.59Å |
| 123 | S | 95 | Very high | 91 | Very high | 49 Ų | 49 | 59 Ų | 59 | 34% | 0.343 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 176.9 | 63.9 | 0 | 0 | 0 | 0 | 111.6 | E119 I120 S126 Q127 | E119-S123 WeakPolarHBondContact O-CB 3.12Å; E119-S123 PolarHBondContact O-N 2.76Å; E119-S123 PolarHBondContact O-OG 3.11Å; I120-S123 PolarHBondContact O-OG 2.91Å; I120-S123 VanDerWaalsContact O-OG 3.12Å; S123-S126 PolarHBondContact O-N 2.9Å; S123-S126 PolarHBondContact O-OG 2.83Å; S123-Q127 WeakPolarHBondContact O-CG 3.47Å; S123-Q127 PolarHBondContact O-N 2.92Å; S123-Q127 PolarHBondContact O-NE2 3.33Å; S123-Q127 VanDerWaalsContact O-NE2 3.16Å |
| 124 | G | 95.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G50 I120 I121 S126 Q127 | G50-G124 WeakPolarHBondContact O-CA 3.35Å; I120-G124 PolarHBondContact O-N 3.49Å; I121-G124 PolarHBondContact O-N 2.91Å; G124-S126 VanDerWaalsContact C-N 3.33Å; G124-S126 PolarHBondContact O-N 2.95Å; G124-Q127 PolarHBondContact O-N 3.49Å |
| 125 | I | 94.1 | Very high | 91 | Very high | 39 Ų | 39 | 57.5 Ų | 57.5 | 20% | 0.2 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 173.8 | -73.3 | 172.5 | 0 | 0 | 0 | 111 | L46 I121 G122 Q127 L128 L136 | L46-I125 HydrophobicContact CD1-CD1 4.3Å; L46-I125 HydrophobicContact CD1-CG1 3.92Å; L46-I125 HydrophobicContact CD1-CG2 4.17Å; L46-I125 HydrophobicContact CD2-CD1 4.43Å; L46-I125 HydrophobicContact CG-CD1 4.02Å; L46-I125 HydrophobicContact CG-CG1 4.16Å; I121-I125 HydrophobicContact CG2-CD1 3.74Å; I121-I125 HydrophobicContact CG2-CG1 4.32Å; I121-I125 WeakPolarHBondContact O-CB 3.36Å; I121-I125 VanDerWaalsContact O-CG1 3.26Å; I121-I125 WeakPolarHBondContact O-CG1 3.44Å; I121-I125 PolarHBondContact O-N 2.98Å; G122-I125 PolarHBondContact O-N 2.82Å; I125-Q127 PolarHBondContact O-N 3.42Å; I125-L128 HydrophobicContact CB-CD1 4.44Å; I125-L128 HydrophobicContact CG1-CD1 4.35Å; I125-L128 WeakPolarHBondContact O-CB 3.49Å; I125-L128 PolarHBondContact O-N 3.28Å; I125-L128 VanDerWaalsContact O-N 3.12Å; I125-L136 HydrophobicContact CD1-CD1 3.63Å; I125-L136 HydrophobicContact CD1-CG 4.38Å |
| 126 | S | 91.7 | Very high | 91.1 | Very high | 97 Ų | 97 | 55.7 Ų | 55.7 | 68% | 0.678 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.2 | -18.8 | 177.7 | 70.7 | 0 | 0 | 0 | 0 | 114.4 | G122 S123 G124 | G122-S126 PolarHBondContact O-N 2.59Å; S123-S126 PolarHBondContact O-N 2.9Å; S123-S126 PolarHBondContact O-OG 2.83Å; G124-S126 VanDerWaalsContact C-N 3.33Å; G124-S126 PolarHBondContact O-N 2.95Å |
| 127 | Q | 92.4 | Very high | 91 | Very high | 106 Ų | 106 | 56 Ų | 56 | 50% | 0.495 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -2.8 | 177.2 | -69.8 | 171.7 | 65.2 | 0 | 0 | 113.2 | L53 S123 G124 I125 N129 | L53-Q127 HydrophobicContact CD1-CB 4.14Å; S123-Q127 WeakPolarHBondContact O-CG 3.47Å; S123-Q127 PolarHBondContact O-N 2.92Å; S123-Q127 PolarHBondContact O-NE2 3.33Å; S123-Q127 VanDerWaalsContact O-NE2 3.16Å; G124-Q127 PolarHBondContact O-N 3.49Å; I125-Q127 PolarHBondContact O-N 3.42Å; Q127-N129 PolarHBondContact O-N 3.14Å |
| 128 | L | 89.1 | Confident | 90.9 | Very high | 36 Ų | 36 | 61.6 Ų | 61.6 | 19% | 0.188 | 36% | 0.36 | C | S | . | . | trans | -73.2 | 119.4 | -177.4 | -72.7 | 168.8 | 0 | 0 | 0 | 111.6 | L46 Q49 L53 I125 T130 F132 | L46-L128 HydrophobicContact CD1-CD1 3.24Å; Q49-L128 HydrophobicContact CB-CD2 4.1Å; L53-L128 HydrophobicContact CD1-CD2 3.46Å; L53-L128 VanDerWaalsContact CD1-CD2 3.46Å; L53-L128 HydrophobicContact CD1-CG 3.98Å; I125-L128 HydrophobicContact CB-CD1 4.44Å; I125-L128 HydrophobicContact CG1-CD1 4.35Å; I125-L128 WeakPolarHBondContact O-CB 3.49Å; I125-L128 PolarHBondContact O-N 3.28Å; I125-L128 VanDerWaalsContact O-N 3.12Å; L128-T130 VanDerWaalsContact C-N 3.32Å; L128-F132 HydrophobicContact CD1-CD2 4.19Å; L128-F132 HydrophobicContact CD1-CE2 3.81Å; L128-F132 HydrophobicContact CD2-CE2 3.9Å; L128-F132 HydrophobicContact CG-CE2 4.44Å | ||
| 129 | N | 81.7 | Confident | 90.7 | Very high | 168 Ų | 168 | 61.6 Ų | 61.6 | 90% | 0.898 | 36% | 0.358 | S | S | * | . | trans | -82.8 | -12.8 | 169 | -64 | -29.3 | 0 | 0 | 0 | 112.7 | Q127 | Q127-N129 PolarHBondContact O-N 3.14Š| ||
| 130 | T | 77.8 | Confident | 90.6 | Very high | 97 Ų | 97 | 57.9 Ų | 57.9 | 60% | 0.595 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -109.3 | 131.2 | -177.5 | -48.4 | 0 | 0 | 0 | 0 | 110.1 | L128 | L128-T130 VanDerWaalsContact C-N 3.32Š|
| 131 | S | 83 | Confident | 90.6 | Very high | 90 Ų | 90 | 56.9 Ų | 56.9 | 63% | 0.629 | 34% | 0.34 | S | S | * | . | trans | -81 | 137.1 | 170.8 | -179.6 | 0 | 0 | 0 | 0 | 110.9 | G133 | S131-G133 PolarHBondContact OG-N 3.34Š| ||
| 132 | F | 85.3 | Confident | 90.5 | Very high | 45 Ų | 45 | 60.3 Ų | 60.3 | 20% | 0.197 | 36% | 0.358 | C | S | . | . | trans | -96.9 | 11.2 | 172.4 | -68.3 | -86.4 | 0 | 0 | 0 | 112.7 | S42 L46 Q49 L128 V134 | S42-F132 WeakPolarHBondContact CB-O 3.21Å; S42-F132 PolarHBondContact OG-O 2.74Å; L46-F132 HydrophobicContact CB-CB 4.25Å; L46-F132 HydrophobicContact CB-CD2 4.21Å; L46-F132 HydrophobicContact CB-CG 4.28Å; L46-F132 HydrophobicContact CD1-CD2 3.78Å; L46-F132 HydrophobicContact CD1-CE2 4.38Å; Q49-F132 HydrophobicContact CB-CE2 4.15Å; Q49-F132 HydrophobicContact CB-CZ 3.88Å; Q49-F132 HydrophobicContact CG-CE1 4.14Å; Q49-F132 HydrophobicContact CG-CE2 4.37Å; Q49-F132 HydrophobicContact CG-CZ 3.6Å; L128-F132 HydrophobicContact CD1-CD2 4.19Å; L128-F132 HydrophobicContact CD1-CE2 3.81Å; L128-F132 HydrophobicContact CD2-CE2 3.9Å; L128-F132 HydrophobicContact CG-CE2 4.44Å; F132-V134 HydrophobicContact CB-CG2 4.19Å; F132-V134 PolarHBondContact O-N 2.73Å | ||
| 133 | G | 86 | Confident | 90.2 | Very high | 43 Ų | 43 | 60 Ų | 60 | 44% | 0.443 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 74.3 | 2.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | H22 S131 | H22-G133 PolarHBondContact NE2-O 3.32Å; S131-G133 PolarHBondContact OG-N 3.34Å |
| 134 | V | 91.6 | Very high | 89.7 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.024 | 35% | 0.345 | C | S | . | . | trans | -135.9 | 146.6 | 176.4 | -66 | 0 | 0 | 0 | 0 | 109.8 | Y14 L39 L46 F132 | Y14-V134 CarbonylContact O-C 3.46Å; Y14-V134 WeakPolarHBondContact O-CA 3.09Å; L39-V134 HydrophobicContact CD1-CG1 3.5Å; L39-V134 VanDerWaalsContact CD1-CG1 3.5Å; L46-V134 HydrophobicContact CB-CG2 4.1Å; L46-V134 HydrophobicContact CD2-CG2 3.84Å; L46-V134 WeakPolarHBondContact CD2-O 3.46Å; F132-V134 HydrophobicContact CB-CG2 4.19Å; F132-V134 PolarHBondContact O-N 2.73Å | ||
| 135 | Q | 91.8 | Very high | 88.3 | Confident | 77 Ų | 77 | 64.2 Ų | 64.2 | 36% | 0.36 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 152.3 | 167.2 | -64.4 | -167.2 | -6.8 | 0 | 0 | 109.4 | L13 Y14 G17 | L13-Q135 WeakPolarHBondContact CA-O 3.49Å; Y14-Q135 PolarHBondContact N-O 3.41Å; Y14-Q135 PolarHBondContact O-N 3.05Å; G17-Q135 PolarHBondContact O-OE1 2.92Å |
| 136 | L | 93.2 | Very high | 86.1 | Confident | 36 Ų | 36 | 69 Ų | 69 | 19% | 0.188 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 130 | -174.9 | -51.2 | -172.9 | 0 | 0 | 0 | 110 | A11 L13 F43 L46 L47 I125 L139 | A11-L136 HydrophobicContact CB-CB 3.88Å; A11-L136 HydrophobicContact CB-CD1 4.33Å; A11-L136 HydrophobicContact CB-CD2 4.03Å; A11-L136 HydrophobicContact CB-CG 4.28Å; L13-L136 HydrophobicContact CD2-CD2 3.55Å; F43-L136 HydrophobicContact CD2-CD2 3.78Å; F43-L136 HydrophobicContact CE2-CD1 4.28Å; F43-L136 HydrophobicContact CE2-CD2 3.65Å; L46-L136 HydrophobicContact CD2-CD1 4.1Å; L46-L136 HydrophobicContact CD2-CD2 3.86Å; L46-L136 HydrophobicContact CD2-CG 3.61Å; L47-L136 HydrophobicContact CD2-CD1 3.63Å; I125-L136 HydrophobicContact CD1-CD1 3.63Å; I125-L136 HydrophobicContact CD1-CG 4.38Å; L136-L139 HydrophobicContact CD1-CD1 4.05Å |
| 137 | S | 91.6 | Very high | 84 | Confident | 44 Ų | 44 | 67.8 Ų | 67.8 | 31% | 0.308 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 154.2 | 166.7 | -174.8 | 0 | 0 | 0 | 0 | 109.6 | V12 L139 | V12-S137 PolarHBondContact N-O 2.64Å; V12-S137 PolarHBondContact O-N 2.78Å; S137-L139 VanDerWaalsContact C-N 3.26Å; S137-L139 PolarHBondContact O-N 3.42Å |
| 138 | N | 90.3 | Very high | 81.7 | Confident | 120 Ų | 120 | 66.5 Ų | 66.5 | 64% | 0.642 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50.9 | 46.1 | -176.6 | -59 | -26.9 | 0 | 0 | 0 | 112.6 | V12 V140 | V12-N138 HydrophobicContact CG2-CB 4.45Å; N138-V140 PolarHBondContact O-N 2.97Å |
| 139 | L | 92.8 | Very high | 79.6 | Confident | 43 Ų | 43 | 71.7 Ų | 71.7 | 23% | 0.225 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 121.3 | 178 | 179.8 | 64.5 | 0 | 0 | 0 | 110.1 | V9 K10 A11 I121 L136 S137 I141 | V9-L139 HydrophobicContact CG1-CD1 3.46Å; V9-L139 VanDerWaalsContact CG1-CD1 3.46Å; K10-L139 WeakPolarHBondContact O-CA 3.21Å; A11-L139 HydrophobicContact CB-CD1 4.19Å; I121-L139 HydrophobicContact CG2-CD2 4.48Å; L136-L139 HydrophobicContact CD1-CD1 4.05Å; S137-L139 VanDerWaalsContact C-N 3.26Å; S137-L139 PolarHBondContact O-N 3.42Å; L139-I141 HydrophobicContact CD1-CD1 4.37Å; L139-I141 HydrophobicContact CD1-CG1 4.19Å; L139-I141 HydrophobicContact CD2-CD1 4.43Å; L139-I141 HydrophobicContact CG-CD1 4.44Å; L139-I141 HydrophobicContact CG-CG1 4.25Å |
| 140 | V | 93.7 | Very high | 77.7 | Confident | 68 Ų | 68 | 70.2 Ų | 70.2 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.2 | 176.1 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | K10 N138 | K10-V140 PolarHBondContact N-O 2.87Å; K10-V140 PolarHBondContact O-N 2.81Å; N138-V140 PolarHBondContact O-N 2.97Å |
| 141 | I | 95.1 | Very high | 76.3 | Confident | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.4 | 179.4 | -51 | -169.3 | 0 | 0 | 0 | 110.7 | F7 Q8 V9 S114 V117 T118 I121 L139 | F7-I141 HydrophobicContact CB-CG2 3.7Å; F7-I141 HydrophobicContact CD1-CG2 4.24Å; F7-I141 HydrophobicContact CG-CG2 4.34Å; Q8-I141 CarbonylContact O-C 3.5Å; Q8-I141 VanDerWaalsContact O-CA 3.3Å; Q8-I141 WeakPolarHBondContact O-CA 3.49Å; V9-I141 HydrophobicContact CB-CG1 4.47Å; V9-I141 HydrophobicContact CG1-CD1 4.39Å; V9-I141 HydrophobicContact CG1-CG1 4.18Å; V9-I141 HydrophobicContact CG2-CD1 3.97Å; V9-I141 HydrophobicContact CG2-CG1 4.06Å; V9-I141 HydrophobicContact CG2-CG2 4.16Å; S114-I141 WeakPolarHBondContact CB-O 3.15Å; S114-I141 PolarHBondContact OG-O 3.32Å; V117-I141 HydrophobicContact CB-CG2 4.32Å; V117-I141 HydrophobicContact CG1-CD1 4.16Å; V117-I141 HydrophobicContact CG1-CG2 4.03Å; T118-I141 WeakPolarHBondContact OG1-CB 3.37Å; I121-I141 HydrophobicContact CB-CD1 4.24Å; I121-I141 HydrophobicContact CD1-CD1 3.92Å; I121-I141 HydrophobicContact CG1-CD1 4.49Å; L139-I141 HydrophobicContact CD1-CD1 4.37Å; L139-I141 HydrophobicContact CD1-CG1 4.19Å; L139-I141 HydrophobicContact CD2-CD1 4.43Å; L139-I141 HydrophobicContact CG-CD1 4.44Å; L139-I141 HydrophobicContact CG-CG1 4.25Å |
| 142 | N | 93.3 | Very high | 74.7 | Confident | 71 Ų | 71 | 71 Ų | 71 | 38% | 0.38 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129 | -178.4 | -66.7 | -47.7 | 0 | 0 | 0 | 110.9 | F7 Q8 S114 L144 | F7-N142 CarbonylContact C-O 3.32Å; F7-N142 WeakPolarHBondContact CA-O 3.35Å; Q8-N142 PolarHBondContact N-O 3.23Å; Q8-N142 PolarHBondContact O-N 3.35Å; S114-N142 VanDerWaalsContact OG-CA 3.27Å; S114-N142 WeakPolarHBondContact OG-CA 3.3Å; N142-L144 PolarHBondContact O-N 3.24Å |
| 143 | N | 88.9 | Confident | 73 | Confident | 22 Ų | 22 | 76.2 Ų | 76.2 | 12% | 0.118 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 119.9 | 171.5 | -172.5 | -34.1 | 0 | 0 | 0 | 110 | F7 L112 S114 M145 H146 | F7-N143 HydrophobicContact CD1-CB 3.86Å; F7-N143 HydrophobicContact CE1-CB 3.69Å; L112-N143 PolarHBondContact O-ND2 3.43Å; S114-N143 PolarHBondContact OG-N 3.36Å; N143-M145 WeakPolarHBondContact OD1-CB 3.34Å; N143-M145 PolarHBondContact OD1-N 3.42Å; N143-H146 PolarHBondContact O-N 2.95Å |
| 144 | L | 84 | Confident | 71.4 | Confident | 46 Ų | 46 | 77.8 Ų | 77.8 | 24% | 0.241 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -73.3 | -25.3 | -177.6 | -71.8 | -176.9 | 0 | 0 | 0 | 113.6 | T6 Q8 N142 H146 V147 | T6-L144 HydrophobicContact CG2-CD1 3.82Å; T6-L144 PolarHBondContact O-N 2.87Å; Q8-L144 HydrophobicContact CB-CD1 4.27Å; Q8-L144 HydrophobicContact CB-CD2 3.78Å; Q8-L144 HydrophobicContact CB-CG 3.97Å; N142-L144 PolarHBondContact O-N 3.24Å; L144-H146 PolarHBondContact O-N 3.45Å; L144-V147 HydrophobicContact CD2-CG2 4.32Å; L144-V147 PolarHBondContact O-N 2.99Å |
| 145 | M | 66.2 | Low | 69.5 | Low | 92 Ų | 92 | 79.4 Ų | 79.4 | 45% | 0.453 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.6 | -23.4 | 175.3 | -73.7 | -151.2 | -75.6 | 0 | 0 | 112.7 | N143 T148 | N143-M145 WeakPolarHBondContact OD1-CB 3.34Å; N143-M145 PolarHBondContact OD1-N 3.42Å; M145-T148 PolarHBondContact O-OG1 3.1Å |
| 146 | H | 49.7 | Very low | 67.8 | Low | 141 Ų | 141 | 81.9 Ų | 81.9 | 65% | 0.653 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -82.5 | -27.6 | 177.4 | -126.6 | -125.3 | 0 | 0 | 0 | 112.4 | N143 L144 F150 | N143-H146 PolarHBondContact O-N 2.95Å; L144-H146 PolarHBondContact O-N 3.45Å; H146-F150 PolarHBondContact O-N 3.21Å; H146-F150 VanDerWaalsContact O-N 3.09Å |
| 147 | V | 47.4 | Very low | 65.9 | Low | 71 Ų | 71 | 87 Ų | 87 | 43% | 0.43 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.4 | -44 | 179.7 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | L144 F150 L151 | L144-V147 HydrophobicContact CD2-CG2 4.32Å; L144-V147 PolarHBondContact O-N 2.99Å; V147-F150 PolarHBondContact O-N 3.24Å; V147-L151 HydrophobicContact CG1-CD1 4.38Å; V147-L151 WeakPolarHBondContact O-CG 3.46Å; V147-L151 PolarHBondContact O-N 2.71Å; V147-L151 VanDerWaalsContact O-N 3.09Å |
| 148 | T | 43.4 | Very low | 63.8 | Low | 79 Ų | 79 | 94.3 Ų | 94.3 | 49% | 0.485 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 175.1 | 35.1 | 0 | 0 | 0 | 0 | 111.8 | M145 F150 L151 D152 | M145-T148 PolarHBondContact O-OG1 3.1Å; T148-F150 VanDerWaalsContact C-N 3.28Å; T148-F150 PolarHBondContact O-N 3.27Å; T148-L151 CarbonylContact O-C 3.52Å; T148-L151 PolarHBondContact O-N 2.61Å; T148-L151 VanDerWaalsContact O-N 3.13Å; T148-D152 WeakPolarHBondContact O-CB 3.25Å; T148-D152 PolarHBondContact O-N 3.27Å |
| 149 | K | 44.4 | Very low | 61.7 | Low | 144 Ų | 144 | 99.7 Ų | 99.7 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.7 | -34 | 177.4 | -80.3 | -173.5 | 177.7 | -180 | 0 | 114 | K153 | K149-K153 WeakPolarHBondContact O-CB 3.34Å; K149-K153 PolarHBondContact O-N 3.06Å |
| 150 | F | 42.8 | Very low | 60.1 | Low | 137 Ų | 137 | 102.6 Ų | 102.6 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.6 | -41.5 | 176.1 | -166.2 | -97.3 | 0 | 0 | 0 | 111.4 | H146 V147 T148 K153 L154 | H146-F150 PolarHBondContact O-N 3.21Å; H146-F150 VanDerWaalsContact O-N 3.09Å; V147-F150 PolarHBondContact O-N 3.24Å; T148-F150 VanDerWaalsContact C-N 3.28Å; T148-F150 PolarHBondContact O-N 3.27Å; F150-K153 PolarHBondContact O-N 3.48Å; F150-L154 HydrophobicContact CD1-CD1 3.77Å; F150-L154 HydrophobicContact CD1-CG 4.3Å; F150-L154 HydrophobicContact CE1-CD1 3.54Å; F150-L154 HydrophobicContact CE1-CG 4.1Å; F150-L154 HydrophobicContact CZ-CD1 4.48Å; F150-L154 WeakPolarHBondContact O-CG 3.26Å; F150-L154 PolarHBondContact O-N 3.03Å |
| 151 | L | 47.2 | Very low | 58.4 | Low | 105 Ų | 105 | 104.4 Ų | 104.4 | 55% | 0.55 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 173.4 | -67.4 | 176.1 | 0 | 0 | 0 | 112.2 | V147 T148 K153 L154 G155 | V147-L151 HydrophobicContact CG1-CD1 4.38Å; V147-L151 WeakPolarHBondContact O-CG 3.46Å; V147-L151 PolarHBondContact O-N 2.71Å; V147-L151 VanDerWaalsContact O-N 3.09Å; T148-L151 CarbonylContact O-C 3.52Å; T148-L151 PolarHBondContact O-N 2.61Å; T148-L151 VanDerWaalsContact O-N 3.13Å; L151-K153 VanDerWaalsContact C-N 3.34Å; L151-K153 PolarHBondContact O-N 3.15Å; L151-L154 PolarHBondContact O-N 3.1Å; L151-G155 PolarHBondContact O-N 3.26Å |
| 152 | D | 50.1 | Low | 56.3 | Low | 98 Ų | 98 | 109.9 Ų | 109.9 | 52% | 0.524 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 174.5 | -65.9 | -25.7 | 0 | 0 | 0 | 111.2 | T148 G155 N156 | T148-D152 WeakPolarHBondContact O-CB 3.25Å; T148-D152 PolarHBondContact O-N 3.27Å; D152-G155 PolarHBondContact O-N 2.95Å; D152-N156 WeakPolarHBondContact O-CB 3.32Å; D152-N156 PolarHBondContact O-N 3.08Å; D152-N156 PolarHBondContact O-ND2 3.07Å |
| 153 | K | 48.7 | Very low | 54.1 | Low | 156 Ų | 156 | 112.2 Ų | 112.2 | 68% | 0.678 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66 | -38.5 | 173.3 | -103.6 | -174 | 175.9 | -174.9 | 0 | 112.6 | K149 F150 L151 L157 | K149-K153 WeakPolarHBondContact O-CB 3.34Å; K149-K153 PolarHBondContact O-N 3.06Å; F150-K153 PolarHBondContact O-N 3.48Å; L151-K153 VanDerWaalsContact C-N 3.34Å; L151-K153 PolarHBondContact O-N 3.15Å; K153-L157 WeakPolarHBondContact O-CD1 3.26Å; K153-L157 PolarHBondContact O-N 3.21Å |
| 154 | L | 52.6 | Low | 52 | Low | 76 Ų | 76 | 117.9 Ų | 117.9 | 40% | 0.398 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.5 | -41.3 | 175 | -74.3 | 174.2 | 0 | 0 | 0 | 111.4 | F150 L151 N156 L157 Y158 | F150-L154 HydrophobicContact CD1-CD1 3.77Å; F150-L154 HydrophobicContact CD1-CG 4.3Å; F150-L154 HydrophobicContact CE1-CD1 3.54Å; F150-L154 HydrophobicContact CE1-CG 4.1Å; F150-L154 HydrophobicContact CZ-CD1 4.48Å; F150-L154 WeakPolarHBondContact O-CG 3.26Å; F150-L154 PolarHBondContact O-N 3.03Å; L151-L154 PolarHBondContact O-N 3.1Å; L154-N156 VanDerWaalsContact C-N 3.31Å; L154-N156 PolarHBondContact O-N 3.12Å; L154-L157 PolarHBondContact O-N 3.27Å; L154-Y158 VanDerWaalsContact O-CD2 3.31Å; L154-Y158 WeakPolarHBondContact O-CD2 3.49Å |
| 155 | G | 53.1 | Low | 49.8 | Very low | 38 Ų | 38 | 122.7 Ų | 122.7 | 39% | 0.392 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.9 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L151 D152 L157 Y158 | L151-G155 PolarHBondContact O-N 3.26Å; D152-G155 PolarHBondContact O-N 2.95Å; G155-L157 VanDerWaalsContact C-N 3.25Å; G155-L157 PolarHBondContact O-N 2.76Å; G155-Y158 PolarHBondContact O-N 3.02Å |
| 156 | N | 55.1 | Low | 48.7 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 69% | 0.69 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -3.3 | 174.6 | -73.3 | -24.8 | 0 | 0 | 0 | 114.5 | D152 L154 | D152-N156 WeakPolarHBondContact O-CB 3.32Å; D152-N156 PolarHBondContact O-N 3.08Å; D152-N156 PolarHBondContact O-ND2 3.07Å; L154-N156 VanDerWaalsContact C-N 3.31Å; L154-N156 PolarHBondContact O-N 3.12Å |
| 157 | L | 53.6 | Low | 48.6 | Very low | 142 Ų | 142 | 123.6 Ų | 123.6 | 74% | 0.743 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -9.4 | 169 | -109.7 | 97.2 | 0 | 0 | 0 | 113 | K153 L154 G155 | K153-L157 WeakPolarHBondContact O-CD1 3.26Å; K153-L157 PolarHBondContact O-N 3.21Å; L154-L157 PolarHBondContact O-N 3.27Å; G155-L157 VanDerWaalsContact C-N 3.25Å; G155-L157 PolarHBondContact O-N 2.76Å |
| 158 | Y | 46.9 | Very low | 48.7 | Very low | 198 Ų | 198 | 128 Ų | 128 | 78% | 0.776 | 63% | 0.629 | S | S | * | * | trans | -106.6 | 17 | 177.9 | -73.9 | -77.4 | 0 | 0 | 0 | 113.6 | L154 G155 | L154-Y158 VanDerWaalsContact O-CD2 3.31Å; L154-Y158 WeakPolarHBondContact O-CD2 3.49Å; G155-Y158 PolarHBondContact O-N 3.02Å | ||
| 159 | H | 46.4 | Very low | 49.2 | Very low | 234 Ų | 234 | 132.5 Ų | 132.5 | 100% | 1.083 | 64% | 0.642 | S | S | * | * | trans | -128.9 | 0 | 171 | -84.4 | -53.3 | 0 | 0 | 0 | 112.2 |
Retrieved 159 of 159 residues in 487.6 ms
(Link to these results)