| 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 | 81.3 | Confident | 95.2 | Very high | 214 Ų | 214 | 71.3 Ų | 71.3 | 100% | 1.054 | 37% | 0.365 | S | S | * | . | 0 | 129.6 | 0 | -123.3 | 175.1 | -171.3 | 0 | 0 | 109.2 | P15 | M1-P15 HydrophobicContact CB-CG 3.88Å; M1-P15 HydrophobicContact CE-CB 3.4Å; M1-P15 VanDerWaalsContact CE-CB 3.4Å; M1-P15 HydrophobicContact CE-CG 4.11Å; M1-P15 HydrophobicContact CG-CB 3.79Å; M1-P15 HydrophobicContact CG-CG 3.39Å; M1-P15 HydrophobicContact SD-CB 3.37Å; M1-P15 WeakPolarHBondContact SD-CB 3.41Å; M1-P15 HydrophobicContact SD-CG 3.39Å; M1-P15 WeakPolarHBondContact SD-CG 3.45Å | |||
| 2 | K | 92.1 | Very high | 95.4 | Very high | 172 Ų | 172 | 76.3 Ų | 76.3 | 75% | 0.748 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -95.1 | 132.3 | -176.8 | -175.2 | 179 | 178.6 | -178.4 | 0 | 110.5 | ||
| 3 | V | 96.3 | Very high | 95.6 | Very high | 62 Ų | 62 | 71.2 Ų | 71.2 | 38% | 0.376 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -87.3 | 127.7 | 171.9 | 177 | 0 | 0 | 0 | 0 | 108.7 | K12 I13 Y14 | V3-K12 HydrophobicContact CG1-CB 3.69Å; V3-K12 HydrophobicContact CG1-CD 4.3Å; V3-K12 HydrophobicContact CG1-CG 3.96Å; V3-I13 WeakPolarHBondContact CG1-O 3.45Å; V3-Y14 HydrophobicContact CG2-CD1 3.75Å; V3-Y14 HydrophobicContact CG2-CE1 3.82Å |
| 4 | E | 96.2 | Very high | 95.6 | Very high | 55 Ų | 55 | 75.6 Ų | 75.6 | 26% | 0.257 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 167.7 | 177.5 | -59.2 | -168.2 | 157.4 | 0 | 0 | 110.1 | K12 I13 R20 Q30 | E4-K12 CarbonylContact O-C 3.53Å; E4-I13 HydrophobicContact CB-CB 4.38Å; E4-I13 PolarHBondContact N-O 3.38Å; E4-I13 PolarHBondContact O-N 3.17Å; E4-R20 VanDerWaalsContact CD-NH2 3.27Å; E4-R20 IonicContact OE1-NH2 2.8Å; E4-R20 PolarHBondContact OE1-NH2 3.49Å; E4-R20 IonicContact OE2-CZ 3.96Å; E4-R20 IonicContact OE2-NH2 2.96Å; E4-R20 PolarHBondContact OE2-NH2 3.03Å; E4-Q30 HydrophobicContact CB-CG 4.46Å; E4-Q30 WeakPolarHBondContact OE2-CG 3.29Å |
| 5 | L | 97.4 | Very high | 95.7 | Very high | 107 Ų | 107 | 73.5 Ų | 73.5 | 56% | 0.56 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 136.4 | 175.3 | -67.5 | 178.6 | 0 | 0 | 0 | 109.7 | S7 K12 | L5-S7 PolarHBondContact O-N 3.3Å; L5-K12 HydrophobicContact CD2-CG 4.01Å |
| 6 | C | 97.8 | Very high | 95.7 | Very high | 4 Ų | 4 | 74.5 Ų | 74.5 | 3% | 0.027 | 40% | 0.398 | C | S | . | . | trans | -64.4 | 124.5 | 174.2 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | F8 S9 G10 Y11 I13 Q30 L32 | C6-F8 PolarHBondContact O-N 3.3Å; C6-S9 VanDerWaalsContact CB-OG 3.29Å; C6-S9 WeakPolarHBondContact CB-OG 3.39Å; C6-S9 PolarHBondContact SG-N 3.41Å; C6-S9 PolarHBondContact SG-OG 2.82Å; C6-G10 VanDerWaalsContact O-CA 3.29Å; C6-G10 WeakPolarHBondContact O-CA 3.3Å; C6-G10 PolarHBondContact O-N 2.87Å; C6-Y11 PolarHBondContact N-O 2.92Å; C6-I13 HydrophobicContact CB-CD1 3.93Å; C6-I13 HydrophobicContact CB-CG1 4.16Å; C6-Q30 CarbonylContact C-O 3.59Å; C6-Q30 VanDerWaalsContact CA-O 3.31Å; C6-Q30 WeakPolarHBondContact CA-O 3.31Å; C6-L32 HydrophobicContact CB-CB 4.05Å; C6-L32 PolarHBondContact SG-N 3.39Å | ||
| 7 | S | 97.5 | Very high | 95.6 | Very high | 48 Ų | 48 | 77.4 Ų | 77.4 | 34% | 0.336 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -24.1 | -178.2 | -51.6 | 0 | 0 | 0 | 0 | 113.2 | L5 F29 Q30 | L5-S7 PolarHBondContact O-N 3.3Å; S7-F29 WeakPolarHBondContact OG-CA 3.39Å; S7-Q30 PolarHBondContact N-O 2.91Å; S7-Q30 PolarHBondContact OG-N 3.13Å; S7-Q30 PolarHBondContact OG-O 3.1Å |
| 8 | F | 98 | Very high | 95.6 | Very high | 2 Ų | 2 | 75.2 Ų | 75.2 | 1% | 0.009 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -56 | 178.3 | -171.6 | -95.2 | 0 | 0 | 0 | 112.5 | C6 F31 C36 A39 F40 R44 P46 I49 W51 T52 | C6-F8 PolarHBondContact O-N 3.3Å; F8-F31 HydrophobicContact CB-CD1 4.29Å; F8-F31 HydrophobicContact CB-CE1 4.23Å; F8-C36 HydrophobicContact CB-CB 4.18Å; F8-C36 HydrophobicContact CD1-CB 4.45Å; F8-A39 HydrophobicContact CD1-CB 4.42Å; F8-A39 HydrophobicContact CE1-CB 3.74Å; F8-A39 HydrophobicContact CE2-CB 3.89Å; F8-A39 HydrophobicContact CZ-CB 3.43Å; F8-A39 VanDerWaalsContact CZ-CB 3.43Å; F8-F40 HydrophobicContact CD2-CB 3.99Å; F8-F40 HydrophobicContact CD2-CD2 4.49Å; F8-R44 WeakPolarHBondContact CE2-O 3.47Å; F8-R44 HydrophobicContact CZ-CB 4.45Å; F8-P46 HydrophobicContact CD2-CB 4.22Å; F8-P46 HydrophobicContact CD2-CG 4.48Å; F8-P46 HydrophobicContact CE1-CB 4.48Å; F8-P46 HydrophobicContact CE2-CB 4.09Å; F8-P46 HydrophobicContact CE2-CG 4.46Å; F8-P46 HydrophobicContact CG-CB 4.49Å; F8-P46 HydrophobicContact CZ-CB 4.21Å; F8-P46 VanDerWaalsContact O-CB 3.32Å; F8-P46 WeakPolarHBondContact O-CB 3.43Å; F8-I49 HydrophobicContact CE1-CG1 4.47Å; F8-I49 HydrophobicContact CZ-CG1 4.04Å; F8-W51 HydrophobicContact CD1-CH2 4.2Å; F8-W51 HydrophobicContact CD1-CZ2 4.43Å; F8-W51 HydrophobicContact CE1-CH2 4.32Å; F8-W51 HydrophobicContact CE1-CZ2 4.09Å; F8-T52 HydrophobicContact CD1-CG2 4.25Å; F8-T52 HydrophobicContact CE1-CG2 3.99Å |
| 9 | S | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -24.8 | -171.3 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | C6 Y11 V53 | C6-S9 VanDerWaalsContact CB-OG 3.29Å; C6-S9 WeakPolarHBondContact CB-OG 3.39Å; C6-S9 PolarHBondContact SG-N 3.41Å; C6-S9 PolarHBondContact SG-OG 2.82Å; S9-Y11 VanDerWaalsContact C-N 3.31Å; S9-Y11 WeakPolarHBondContact OG-CD2 3.42Å; S9-Y11 PolarHBondContact OG-N 3.5Å; S9-V53 WeakPolarHBondContact O-CB 3.24Å; S9-V53 WeakPolarHBondContact O-CG2 3.28Å; S9-V53 PolarHBondContact O-N 2.68Å |
| 10 | G | 96.4 | Very high | 95.7 | Very high | 28 Ų | 28 | 83.8 Ų | 83.8 | 29% | 0.289 | 43% | 0.428 | S | S | . | . | trans | 78.6 | 6.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115 | C6 | C6-G10 VanDerWaalsContact O-CA 3.29Å; C6-G10 WeakPolarHBondContact O-CA 3.3Å; C6-G10 PolarHBondContact O-N 2.87Å | ||
| 11 | Y | 97.1 | Very high | 95.8 | Very high | 92 Ų | 92 | 83.5 Ų | 83.5 | 36% | 0.361 | 42% | 0.422 | S | S | . | . | trans | -76.7 | 153.9 | 174.8 | -71.3 | -59.5 | 0 | 0 | 0 | 112.4 | C6 S9 W51 V53 | C6-Y11 PolarHBondContact N-O 2.92Å; S9-Y11 VanDerWaalsContact C-N 3.31Å; S9-Y11 WeakPolarHBondContact OG-CD2 3.42Å; S9-Y11 PolarHBondContact OG-N 3.5Å; Y11-W51 HydrophobicContact CD2-CZ3 4.33Å; Y11-W51 AromaticContact CE2-CE3 3.9Å; Y11-W51 HydrophobicContact CE2-CE3 3.9Å; Y11-W51 HydrophobicContact CE2-CZ3 4.03Å; Y11-W51 PolarHBondContact OH-O 3.28Å; Y11-W51 VanDerWaalsContact OH-O 3.05Å; Y11-V53 HydrophobicContact CE1-CG2 4.37Å | ||
| 12 | K | 97.6 | Very high | 96.5 | Very high | 131 Ų | 131 | 76.8 Ų | 76.8 | 57% | 0.57 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 133 | 175 | -69.6 | 177.6 | -176.3 | 178.1 | 0 | 110.5 | V3 E4 L5 | V3-K12 HydrophobicContact CG1-CB 3.69Å; V3-K12 HydrophobicContact CG1-CD 4.3Å; V3-K12 HydrophobicContact CG1-CG 3.96Å; E4-K12 CarbonylContact O-C 3.53Å; L5-K12 HydrophobicContact CD2-CG 4.01Å |
| 13 | I | 97.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 73.4 Ų | 73.4 | 5% | 0.051 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 110.3 | 172.6 | -56.9 | 174.6 | 0 | 0 | 0 | 106.7 | V3 E4 C6 H17 Q30 L32 | V3-I13 WeakPolarHBondContact CG1-O 3.45Å; E4-I13 HydrophobicContact CB-CB 4.38Å; E4-I13 PolarHBondContact N-O 3.38Å; E4-I13 PolarHBondContact O-N 3.17Å; C6-I13 HydrophobicContact CB-CD1 3.93Å; C6-I13 HydrophobicContact CB-CG1 4.16Å; I13-H17 HydrophobicContact CG2-CB 4.26Å; I13-H17 VanDerWaalsContact CG2-O 3.26Å; I13-H17 WeakPolarHBondContact CG2-O 3.31Å; I13-Q30 HydrophobicContact CD1-CB 3.75Å; I13-L32 HydrophobicContact CD1-CB 4.46Å; I13-L32 HydrophobicContact CG1-CB 4.07Å; I13-L32 HydrophobicContact CG1-CD1 4.01Å |
| 14 | Y | 96.7 | Very high | 96.8 | Very high | 133 Ų | 133 | 79 Ų | 79 | 52% | 0.522 | 41% | 0.409 | S | S | . | . | trans | -76.7 | 154.6 | 173.2 | -70 | -75.2 | 0 | 0 | 0 | 110.4 | V3 H17 | V3-Y14 HydrophobicContact CG2-CD1 3.75Å; V3-Y14 HydrophobicContact CG2-CE1 3.82Å; Y14-H17 WeakPolarHBondContact O-CB 3.47Å; Y14-H17 PolarHBondContact O-N 3.43Å | ||
| 15 | P | 96.9 | Very high | 96.8 | Very high | 45 Ų | 45 | 80 Ų | 80 | 29% | 0.292 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 143.2 | 176.9 | -28 | 38.6 | 0 | 0 | 0 | 112.2 | M1 H17 | M1-P15 HydrophobicContact CB-CG 3.88Å; M1-P15 HydrophobicContact CE-CB 3.4Å; M1-P15 VanDerWaalsContact CE-CB 3.4Å; M1-P15 HydrophobicContact CE-CG 4.11Å; M1-P15 HydrophobicContact CG-CB 3.79Å; M1-P15 HydrophobicContact CG-CG 3.39Å; M1-P15 HydrophobicContact SD-CB 3.37Å; M1-P15 WeakPolarHBondContact SD-CB 3.41Å; M1-P15 HydrophobicContact SD-CG 3.39Å; M1-P15 WeakPolarHBondContact SD-CG 3.45Å; P15-H17 VanDerWaalsContact C-N 3.29Å; P15-H17 PolarHBondContact O-N 2.9Å; P15-H17 PolarHBondContact O-ND1 3.24Å |
| 16 | G | 94.6 | Very high | 96.7 | Very high | 89 Ų | 89 | 77.9 Ų | 77.9 | 92% | 0.918 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 3.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 17 | H | 95.4 | Very high | 96.7 | Very high | 123 Ų | 123 | 83.2 Ų | 83.2 | 57% | 0.569 | 44% | 0.442 | S | S | * | . | trans | -116.6 | 152.7 | 179.7 | -62.7 | 68.1 | 0 | 0 | 0 | 112.2 | I13 Y14 P15 | I13-H17 HydrophobicContact CG2-CB 4.26Å; I13-H17 VanDerWaalsContact CG2-O 3.26Å; I13-H17 WeakPolarHBondContact CG2-O 3.31Å; Y14-H17 WeakPolarHBondContact O-CB 3.47Å; Y14-H17 PolarHBondContact O-N 3.43Å; P15-H17 VanDerWaalsContact C-N 3.29Å; P15-H17 PolarHBondContact O-N 2.9Å; P15-H17 PolarHBondContact O-ND1 3.24Å | ||
| 18 | G | 95.5 | Very high | 96.7 | Very high | 39 Ų | 39 | 84.3 Ų | 84.3 | 40% | 0.402 | 45% | 0.447 | S | S | . | . | S | Bend | trans | 75.4 | -165.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | F31 L32 | G18-F31 CarbonylContact C-O 3.5Å; G18-F31 WeakPolarHBondContact CA-O 3.34Å; G18-L32 VanDerWaalsContact CA-O 3.3Å; G18-L32 WeakPolarHBondContact CA-O 3.3Å |
| 19 | R | 95.8 | Very high | 96.7 | Very high | 162 Ų | 162 | 86 Ų | 86 | 61% | 0.611 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140 | 151.4 | -178.5 | -64.4 | 177.8 | 73.7 | -155.1 | 7.4 | 110.6 | F31 E37 | R19-F31 PolarHBondContact N-O 3.35Å; R19-F31 PolarHBondContact O-N 2.82Å; R19-E37 WeakPolarHBondContact CD-OE2 3.44Å; R19-E37 IonicContact CZ-OE1 3.72Å; R19-E37 IonicContact CZ-OE2 3.75Å; R19-E37 IonicContact NE-OE2 3.97Å; R19-E37 IonicContact NH1-OE1 2.82Å; R19-E37 PolarHBondContact NH1-OE1 3.46Å; R19-E37 IonicContact NH1-OE2 2.85Å; R19-E37 PolarHBondContact NH1-OE2 3.5Å |
| 20 | R | 96.6 | Very high | 96.7 | Very high | 159 Ų | 159 | 87.9 Ų | 87.9 | 60% | 0.6 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 124.5 | 174.4 | -176.1 | 173.7 | -72.5 | 171 | -0.5 | 109.1 | E4 V28 F29 | E4-R20 VanDerWaalsContact CD-NH2 3.27Å; E4-R20 IonicContact OE1-NH2 2.8Å; E4-R20 PolarHBondContact OE1-NH2 3.49Å; E4-R20 IonicContact OE2-CZ 3.96Å; E4-R20 IonicContact OE2-NH2 2.96Å; E4-R20 PolarHBondContact OE2-NH2 3.03Å; R20-V28 HydrophobicContact CG-CG1 3.35Å; R20-F29 WeakPolarHBondContact CA-O 3.27Å |
| 21 | Y | 97.2 | Very high | 96.8 | Very high | 79 Ų | 79 | 86.6 Ų | 86.6 | 31% | 0.31 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 113.7 | 179.3 | 174.3 | -113.7 | 0 | 0 | 0 | 109.5 | R23 V28 F29 F31 F40 L41 | Y21-R23 HydrophobicContact CE1-CB 4.01Å; Y21-R23 HydrophobicContact CE1-CG 4.4Å; Y21-V28 CarbonylContact O-C 3.51Å; Y21-V28 WeakPolarHBondContact O-CA 3.27Å; Y21-F29 HydrophobicContact CD1-CB 4.44Å; Y21-F29 AromaticContact CD1-CD2 3.84Å; Y21-F29 HydrophobicContact CD1-CD2 3.84Å; Y21-F29 HydrophobicContact CE1-CD2 4.35Å; Y21-F29 PolarHBondContact N-O 2.98Å; Y21-F29 PolarHBondContact O-N 3.2Å; Y21-F31 HydrophobicContact CD1-CE2 4.24Å; Y21-F31 HydrophobicContact CG-CE2 4.22Å; Y21-F40 HydrophobicContact CD1-CE1 4.12Å; Y21-F40 HydrophobicContact CE1-CE1 4.07Å; Y21-L41 HydrophobicContact CE1-CD2 4.45Å |
| 22 | A | 97.4 | Very high | 96.8 | Very high | 73 Ų | 73 | 84.5 Ų | 84.5 | 60% | 0.603 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 123 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | V28 | A22-V28 HydrophobicContact CB-CG2 4.39Å |
| 23 | R | 96.5 | Very high | 96.8 | Very high | 100 Ų | 100 | 81.6 Ų | 81.6 | 38% | 0.377 | 44% | 0.435 | S | S | . | . | trans | -92.4 | 156.8 | 177.6 | -169.7 | 169.3 | 72.7 | 163.8 | 9.5 | 110.1 | Y21 D25 G26 K27 F29 | Y21-R23 HydrophobicContact CE1-CB 4.01Å; Y21-R23 HydrophobicContact CE1-CG 4.4Å; R23-D25 VanDerWaalsContact CB-OD1 3.3Å; R23-D25 WeakPolarHBondContact CB-OD1 3.49Å; R23-D25 VanDerWaalsContact CG-OD1 3.3Å; R23-D25 WeakPolarHBondContact CG-OD1 3.45Å; R23-D25 IonicContact CZ-OD1 3.57Å; R23-D25 IonicContact CZ-OD2 3.42Å; R23-D25 IonicContact NE-OD1 2.74Å; R23-D25 PolarHBondContact NE-OD1 3.41Å; R23-D25 IonicContact NE-OD2 3.4Å; R23-D25 PolarHBondContact NE-OD2 2.91Å; R23-D25 IonicContact NH2-OD1 3.58Å; R23-D25 IonicContact NH2-OD2 2.65Å; R23-D25 PolarHBondContact NH2-OD2 3.47Å; R23-D25 PolarHBondContact O-N 3.29Å; R23-D25 VanDerWaalsContact O-N 3.12Å; R23-G26 PolarHBondContact O-N 3.11Å; R23-K27 PolarHBondContact N-O 3.23Å; R23-F29 HydrophobicContact CB-CE2 4.13Å | ||
| 24 | I | 97.4 | Very high | 96.8 | Very high | 179 Ų | 179 | 84.6 Ų | 84.6 | 92% | 0.918 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -31 | -177 | -60.7 | 166.8 | 0 | 0 | 0 | 112.8 | G26 | I24-G26 PolarHBondContact O-N 3.26Å; I24-G26 VanDerWaalsContact O-N 3.15Å |
| 25 | D | 96.6 | Very high | 96.8 | Very high | 78 Ų | 78 | 84.5 Ų | 84.5 | 42% | 0.417 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 11.4 | 177 | 70.2 | -34.9 | 0 | 0 | 0 | 114 | R23 K27 | R23-D25 VanDerWaalsContact CB-OD1 3.3Å; R23-D25 WeakPolarHBondContact CB-OD1 3.49Å; R23-D25 VanDerWaalsContact CG-OD1 3.3Å; R23-D25 WeakPolarHBondContact CG-OD1 3.45Å; R23-D25 IonicContact CZ-OD1 3.57Å; R23-D25 IonicContact CZ-OD2 3.42Å; R23-D25 IonicContact NE-OD1 2.74Å; R23-D25 PolarHBondContact NE-OD1 3.41Å; R23-D25 IonicContact NE-OD2 3.4Å; R23-D25 PolarHBondContact NE-OD2 2.91Å; R23-D25 IonicContact NH2-OD1 3.58Å; R23-D25 IonicContact NH2-OD2 2.65Å; R23-D25 PolarHBondContact NH2-OD2 3.47Å; R23-D25 PolarHBondContact O-N 3.29Å; R23-D25 VanDerWaalsContact O-N 3.12Å; D25-K27 VanDerWaalsContact C-N 3.25Å; D25-K27 PolarHBondContact O-N 3.23Å; D25-K27 PolarHBondContact OD1-N 3.21Å; D25-K27 WeakPolarHBondContact OD2-CD 3.34Å; D25-K27 WeakPolarHBondContact OD2-CE 3.44Å; D25-K27 WeakPolarHBondContact OD2-CG 3.25Å; D25-K27 IonicContact OD2-NZ 3.58Å |
| 26 | G | 95.9 | Very high | 96.9 | Very high | 61 Ų | 61 | 82.3 Ų | 82.3 | 63% | 0.629 | 45% | 0.45 | S | S | * | . | S | Bend | trans | 79.3 | -0.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R23 I24 | R23-G26 PolarHBondContact O-N 3.11Å; I24-G26 PolarHBondContact O-N 3.26Å; I24-G26 VanDerWaalsContact O-N 3.15Å |
| 27 | K | 96.9 | Very high | 97 | Very high | 116 Ų | 116 | 79.4 Ų | 79.4 | 50% | 0.504 | 41% | 0.412 | S | S | . | . | trans | -78.8 | 129.6 | 178.2 | -66.3 | -176 | -168 | 167.2 | 0 | 110.9 | R23 D25 F29 | R23-K27 PolarHBondContact N-O 3.23Å; D25-K27 VanDerWaalsContact C-N 3.25Å; D25-K27 PolarHBondContact O-N 3.23Å; D25-K27 PolarHBondContact OD1-N 3.21Å; D25-K27 WeakPolarHBondContact OD2-CD 3.34Å; D25-K27 WeakPolarHBondContact OD2-CE 3.44Å; D25-K27 WeakPolarHBondContact OD2-CG 3.25Å; D25-K27 IonicContact OD2-NZ 3.58Å; K27-F29 HydrophobicContact CB-CE2 3.73Å; K27-F29 HydrophobicContact CB-CZ 3.85Å; K27-F29 HydrophobicContact CD-CZ 4.39Å | ||
| 28 | V | 97.3 | Very high | 97.1 | Very high | 72 Ų | 72 | 76.4 Ų | 76.4 | 44% | 0.436 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 124.6 | 179.6 | -169.7 | 0 | 0 | 0 | 0 | 109.9 | R20 Y21 A22 Q30 | R20-V28 HydrophobicContact CG-CG1 3.35Å; Y21-V28 CarbonylContact O-C 3.51Å; Y21-V28 WeakPolarHBondContact O-CA 3.27Å; A22-V28 HydrophobicContact CB-CG2 4.39Å; V28-Q30 PolarHBondContact O-NE2 3.34Å |
| 29 | F | 97.5 | Very high | 97.2 | Very high | 36 Ų | 36 | 74.8 Ų | 74.8 | 16% | 0.158 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 146.9 | 177.7 | -56.5 | -84.8 | 0 | 0 | 0 | 110 | S7 R20 Y21 R23 K27 F31 F40 | S7-F29 WeakPolarHBondContact OG-CA 3.39Å; R20-F29 WeakPolarHBondContact CA-O 3.27Å; Y21-F29 HydrophobicContact CD1-CB 4.44Å; Y21-F29 AromaticContact CD1-CD2 3.84Å; Y21-F29 HydrophobicContact CD1-CD2 3.84Å; Y21-F29 HydrophobicContact CE1-CD2 4.35Å; Y21-F29 PolarHBondContact N-O 2.98Å; Y21-F29 PolarHBondContact O-N 3.2Å; R23-F29 HydrophobicContact CB-CE2 4.13Å; K27-F29 HydrophobicContact CB-CE2 3.73Å; K27-F29 HydrophobicContact CB-CZ 3.85Å; K27-F29 HydrophobicContact CD-CZ 4.39Å; F29-F31 HydrophobicContact CB-CE1 4.31Å; F29-F31 HydrophobicContact CB-CE2 4.02Å; F29-F31 HydrophobicContact CB-CZ 3.67Å; F29-F31 HydrophobicContact CG-CZ 4.42Å; F29-F40 AromaticContact CD1-CE2 3.91Å; F29-F40 HydrophobicContact CD1-CE2 3.91Å; F29-F40 AromaticContact CD1-CZ 3.79Å; F29-F40 HydrophobicContact CD1-CZ 3.79Å; F29-F40 HydrophobicContact CD2-CE1 4.26Å; F29-F40 AromaticContact CD2-CZ 3.87Å; F29-F40 HydrophobicContact CD2-CZ 3.87Å; F29-F40 AromaticContact CE1-CE2 3.95Å; F29-F40 HydrophobicContact CE1-CE2 3.95Å; F29-F40 AromaticContact CE1-CZ 3.77Å; F29-F40 HydrophobicContact CE1-CZ 3.77Å; F29-F40 HydrophobicContact CE2-CE1 4.48Å; F29-F40 AromaticContact CE2-CZ 3.85Å; F29-F40 HydrophobicContact CE2-CZ 3.85Å; F29-F40 HydrophobicContact CG-CE1 4.37Å; F29-F40 HydrophobicContact CG-CE2 4.32Å; F29-F40 AromaticContact CG-CZ 3.83Å; F29-F40 HydrophobicContact CG-CZ 3.83Å; F29-F40 HydrophobicContact CZ-CE2 4.39Å; F29-F40 AromaticContact CZ-CZ 3.8Å; F29-F40 HydrophobicContact CZ-CZ 3.8Å |
| 30 | Q | 97.7 | Very high | 97.3 | Very high | 41 Ų | 41 | 69.4 Ų | 69.4 | 19% | 0.192 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 131.2 | 175.9 | -66.8 | 77.2 | 75.4 | 0 | 0 | 108.4 | E4 C6 S7 I13 V28 | E4-Q30 HydrophobicContact CB-CG 4.46Å; E4-Q30 WeakPolarHBondContact OE2-CG 3.29Å; C6-Q30 CarbonylContact C-O 3.59Å; C6-Q30 VanDerWaalsContact CA-O 3.31Å; C6-Q30 WeakPolarHBondContact CA-O 3.31Å; S7-Q30 PolarHBondContact N-O 2.91Å; S7-Q30 PolarHBondContact OG-N 3.13Å; S7-Q30 PolarHBondContact OG-O 3.1Å; I13-Q30 HydrophobicContact CD1-CB 3.75Å; V28-Q30 PolarHBondContact O-NE2 3.34Å |
| 31 | F | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 66 Ų | 66 | 0% | 0.004 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 132.2 | 178.9 | -59.7 | -59.4 | 0 | 0 | 0 | 110.5 | F8 G18 R19 Y21 F29 N33 C36 E37 F40 | F8-F31 HydrophobicContact CB-CD1 4.29Å; F8-F31 HydrophobicContact CB-CE1 4.23Å; G18-F31 CarbonylContact C-O 3.5Å; G18-F31 WeakPolarHBondContact CA-O 3.34Å; R19-F31 PolarHBondContact N-O 3.35Å; R19-F31 PolarHBondContact O-N 2.82Å; Y21-F31 HydrophobicContact CD1-CE2 4.24Å; Y21-F31 HydrophobicContact CG-CE2 4.22Å; F29-F31 HydrophobicContact CB-CE1 4.31Å; F29-F31 HydrophobicContact CB-CE2 4.02Å; F29-F31 HydrophobicContact CB-CZ 3.67Å; F29-F31 HydrophobicContact CG-CZ 4.42Å; F31-N33 VanDerWaalsContact C-N 3.35Å; F31-C36 HydrophobicContact CB-CB 4.3Å; F31-C36 HydrophobicContact CD1-CB 4.2Å; F31-E37 HydrophobicContact CB-CB 4.1Å; F31-E37 HydrophobicContact CD2-CB 3.81Å; F31-E37 HydrophobicContact CD2-CG 3.82Å; F31-E37 HydrophobicContact CE2-CB 4.46Å; F31-E37 HydrophobicContact CE2-CG 4.18Å; F31-E37 HydrophobicContact CG-CB 3.94Å; F31-E37 HydrophobicContact CG-CG 4.46Å; F31-F40 HydrophobicContact CE1-CB 3.62Å; F31-F40 HydrophobicContact CE1-CD1 4.1Å; F31-F40 AromaticContact CE1-CD2 3.96Å; F31-F40 HydrophobicContact CE1-CD2 3.96Å; F31-F40 AromaticContact CE1-CG 3.63Å; F31-F40 HydrophobicContact CE1-CG 3.63Å; F31-F40 HydrophobicContact CE2-CD1 4.15Å; F31-F40 HydrophobicContact CE2-CG 4.49Å; F31-F40 HydrophobicContact CZ-CB 3.71Å; F31-F40 AromaticContact CZ-CD1 3.35Å; F31-F40 HydrophobicContact CZ-CD1 3.35Å; F31-F40 AromaticContact CZ-CD2 3.94Å; F31-F40 HydrophobicContact CZ-CD2 3.94Å; F31-F40 AromaticContact CZ-CE1 3.86Å; F31-F40 HydrophobicContact CZ-CE1 3.86Å; F31-F40 HydrophobicContact CZ-CE2 4.39Å; F31-F40 AromaticContact CZ-CG 3.38Å; F31-F40 HydrophobicContact CZ-CG 3.38Å; F31-F40 HydrophobicContact CZ-CZ 4.35Å |
| 32 | L | 97.8 | Very high | 97.4 | Very high | 48 Ų | 48 | 65.6 Ų | 65.6 | 25% | 0.251 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -65.2 | -38.6 | 178 | 178.2 | 64.4 | 0 | 0 | 0 | 112.2 | C6 I13 G18 | C6-L32 HydrophobicContact CB-CB 4.05Å; C6-L32 PolarHBondContact SG-N 3.39Å; I13-L32 HydrophobicContact CD1-CB 4.46Å; I13-L32 HydrophobicContact CG1-CB 4.07Å; I13-L32 HydrophobicContact CG1-CD1 4.01Å; G18-L32 VanDerWaalsContact CA-O 3.3Å; G18-L32 WeakPolarHBondContact CA-O 3.3Å |
| 33 | N | 97.1 | Very high | 97.3 | Very high | 70 Ų | 70 | 71.2 Ų | 71.2 | 37% | 0.374 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -157.4 | 171.6 | -176.7 | 57.3 | 31.5 | 0 | 0 | 0 | 111.3 | F31 K35 C36 E37 | F31-N33 VanDerWaalsContact C-N 3.35Å; N33-K35 PolarHBondContact O-N 3.07Å; N33-K35 WeakPolarHBondContact OD1-CB 3.28Å; N33-K35 PolarHBondContact OD1-N 2.91Å; N33-C36 WeakPolarHBondContact O-CB 3.46Å; N33-C36 PolarHBondContact O-N 3.33Å; N33-C36 VanDerWaalsContact O-N 3.08Å; N33-C36 PolarHBondContact OD1-N 3.45Å; N33-C36 PolarHBondContact OD1-SG 2.81Å; N33-E37 PolarHBondContact O-N 2.89Å; N33-E37 VanDerWaalsContact O-N 3.17Å |
| 34 | A | 97.4 | Very high | 97.4 | Very high | 73 Ų | 73 | 72.8 Ų | 72.8 | 60% | 0.603 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -59.3 | -30.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | C36 E37 S38 | A34-C36 PolarHBondContact O-N 2.94Å; A34-E37 PolarHBondContact O-N 2.89Å; A34-S38 VanDerWaalsContact O-CB 3.24Å; A34-S38 WeakPolarHBondContact O-CB 3.37Å; A34-S38 PolarHBondContact O-N 3.24Å |
| 35 | K | 97.4 | Very high | 97.4 | Very high | 130 Ų | 130 | 67.8 Ų | 67.8 | 57% | 0.565 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.4 | -43.4 | 174.7 | 177.7 | -179 | -179.4 | 175.8 | 0 | 111.8 | N33 A39 W51 | N33-K35 PolarHBondContact O-N 3.07Å; N33-K35 WeakPolarHBondContact OD1-CB 3.28Å; N33-K35 PolarHBondContact OD1-N 2.91Å; K35-A39 WeakPolarHBondContact O-CB 3.38Å; K35-A39 PolarHBondContact O-N 2.93Å; K35-W51 HydrophobicContact CD-CZ2 4.27Å; K35-W51 HydrophobicContact CG-CZ2 4.36Å |
| 36 | C | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.1 | -43.3 | 177.1 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | F8 F31 N33 A34 F40 | F8-C36 HydrophobicContact CB-CB 4.18Å; F8-C36 HydrophobicContact CD1-CB 4.45Å; F31-C36 HydrophobicContact CB-CB 4.3Å; F31-C36 HydrophobicContact CD1-CB 4.2Å; N33-C36 WeakPolarHBondContact O-CB 3.46Å; N33-C36 PolarHBondContact O-N 3.33Å; N33-C36 VanDerWaalsContact O-N 3.08Å; N33-C36 PolarHBondContact OD1-N 3.45Å; N33-C36 PolarHBondContact OD1-SG 2.81Å; A34-C36 PolarHBondContact O-N 2.94Å; C36-F40 WeakPolarHBondContact O-CB 3.32Å; C36-F40 PolarHBondContact O-N 3.35Å |
| 37 | E | 97.6 | Very high | 97.5 | Very high | 27 Ų | 27 | 68.3 Ų | 68.3 | 13% | 0.126 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.5 | -52.1 | 178.9 | -176.3 | -179.2 | 173.2 | 0 | 0 | 111.3 | R19 F31 N33 A34 A39 F40 L41 | R19-E37 WeakPolarHBondContact CD-OE2 3.44Å; R19-E37 IonicContact CZ-OE1 3.72Å; R19-E37 IonicContact CZ-OE2 3.75Å; R19-E37 IonicContact NE-OE2 3.97Å; R19-E37 IonicContact NH1-OE1 2.82Å; R19-E37 PolarHBondContact NH1-OE1 3.46Å; R19-E37 IonicContact NH1-OE2 2.85Å; R19-E37 PolarHBondContact NH1-OE2 3.5Å; F31-E37 HydrophobicContact CB-CB 4.1Å; F31-E37 HydrophobicContact CD2-CB 3.81Å; F31-E37 HydrophobicContact CD2-CG 3.82Å; F31-E37 HydrophobicContact CE2-CB 4.46Å; F31-E37 HydrophobicContact CE2-CG 4.18Å; F31-E37 HydrophobicContact CG-CB 3.94Å; F31-E37 HydrophobicContact CG-CG 4.46Å; N33-E37 PolarHBondContact O-N 2.89Å; N33-E37 VanDerWaalsContact O-N 3.17Å; A34-E37 PolarHBondContact O-N 2.89Å; E37-A39 VanDerWaalsContact C-N 3.35Å; E37-A39 PolarHBondContact O-N 3.1Å; E37-F40 WeakPolarHBondContact O-CB 3.49Å; E37-F40 PolarHBondContact O-N 3.38Å; E37-F40 VanDerWaalsContact O-N 3.11Å; E37-L41 HydrophobicContact CG-CD1 3.98Å; E37-L41 HydrophobicContact CG-CG 4.44Å; E37-L41 WeakPolarHBondContact O-CG 3.32Å; E37-L41 PolarHBondContact O-N 3.01Å |
| 38 | S | 97.9 | Very high | 97.5 | Very high | 60 Ų | 60 | 69.1 Ų | 69.1 | 42% | 0.42 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 178.3 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | A34 F40 L41 S42 | A34-S38 VanDerWaalsContact O-CB 3.24Å; A34-S38 WeakPolarHBondContact O-CB 3.37Å; A34-S38 PolarHBondContact O-N 3.24Å; S38-F40 VanDerWaalsContact C-N 3.29Å; S38-F40 PolarHBondContact O-N 2.95Å; S38-L41 PolarHBondContact O-N 2.95Å; S38-S42 WeakPolarHBondContact O-CB 3.44Å; S38-S42 PolarHBondContact O-N 2.87Å; S38-S42 PolarHBondContact O-OG 3.27Å |
| 39 | A | 97.9 | Very high | 97.6 | Very high | 5 Ų | 5 | 67.4 Ų | 67.4 | 4% | 0.041 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63 | -35.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F8 K35 E37 K43 R44 | F8-A39 HydrophobicContact CD1-CB 4.42Å; F8-A39 HydrophobicContact CE1-CB 3.74Å; F8-A39 HydrophobicContact CE2-CB 3.89Å; F8-A39 HydrophobicContact CZ-CB 3.43Å; F8-A39 VanDerWaalsContact CZ-CB 3.43Å; K35-A39 WeakPolarHBondContact O-CB 3.38Å; K35-A39 PolarHBondContact O-N 2.93Å; E37-A39 VanDerWaalsContact C-N 3.35Å; E37-A39 PolarHBondContact O-N 3.1Å; A39-K43 PolarHBondContact O-N 2.97Å; A39-R44 WeakPolarHBondContact O-CB 3.31Å; A39-R44 PolarHBondContact O-N 3.42Å |
| 40 | F | 97.8 | Very high | 97.5 | Very high | 50 Ų | 50 | 70.6 Ų | 70.6 | 22% | 0.219 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.7 | -45.6 | 174.8 | 177.8 | -90.7 | 0 | 0 | 0 | 112.2 | F8 Y21 F29 F31 C36 E37 S38 S42 K43 | F8-F40 HydrophobicContact CD2-CB 3.99Å; F8-F40 HydrophobicContact CD2-CD2 4.49Å; Y21-F40 HydrophobicContact CD1-CE1 4.12Å; Y21-F40 HydrophobicContact CE1-CE1 4.07Å; F29-F40 AromaticContact CD1-CE2 3.91Å; F29-F40 HydrophobicContact CD1-CE2 3.91Å; F29-F40 AromaticContact CD1-CZ 3.79Å; F29-F40 HydrophobicContact CD1-CZ 3.79Å; F29-F40 HydrophobicContact CD2-CE1 4.26Å; F29-F40 AromaticContact CD2-CZ 3.87Å; F29-F40 HydrophobicContact CD2-CZ 3.87Å; F29-F40 AromaticContact CE1-CE2 3.95Å; F29-F40 HydrophobicContact CE1-CE2 3.95Å; F29-F40 AromaticContact CE1-CZ 3.77Å; F29-F40 HydrophobicContact CE1-CZ 3.77Å; F29-F40 HydrophobicContact CE2-CE1 4.48Å; F29-F40 AromaticContact CE2-CZ 3.85Å; F29-F40 HydrophobicContact CE2-CZ 3.85Å; F29-F40 HydrophobicContact CG-CE1 4.37Å; F29-F40 HydrophobicContact CG-CE2 4.32Å; F29-F40 AromaticContact CG-CZ 3.83Å; F29-F40 HydrophobicContact CG-CZ 3.83Å; F29-F40 HydrophobicContact CZ-CE2 4.39Å; F29-F40 AromaticContact CZ-CZ 3.8Å; F29-F40 HydrophobicContact CZ-CZ 3.8Å; F31-F40 HydrophobicContact CE1-CB 3.62Å; F31-F40 HydrophobicContact CE1-CD1 4.1Å; F31-F40 AromaticContact CE1-CD2 3.96Å; F31-F40 HydrophobicContact CE1-CD2 3.96Å; F31-F40 AromaticContact CE1-CG 3.63Å; F31-F40 HydrophobicContact CE1-CG 3.63Å; F31-F40 HydrophobicContact CE2-CD1 4.15Å; F31-F40 HydrophobicContact CE2-CG 4.49Å; F31-F40 HydrophobicContact CZ-CB 3.71Å; F31-F40 AromaticContact CZ-CD1 3.35Å; F31-F40 HydrophobicContact CZ-CD1 3.35Å; F31-F40 AromaticContact CZ-CD2 3.94Å; F31-F40 HydrophobicContact CZ-CD2 3.94Å; F31-F40 AromaticContact CZ-CE1 3.86Å; F31-F40 HydrophobicContact CZ-CE1 3.86Å; F31-F40 HydrophobicContact CZ-CE2 4.39Å; F31-F40 AromaticContact CZ-CG 3.38Å; F31-F40 HydrophobicContact CZ-CG 3.38Å; F31-F40 HydrophobicContact CZ-CZ 4.35Å; C36-F40 WeakPolarHBondContact O-CB 3.32Å; C36-F40 PolarHBondContact O-N 3.35Å; E37-F40 WeakPolarHBondContact O-CB 3.49Å; E37-F40 PolarHBondContact O-N 3.38Å; E37-F40 VanDerWaalsContact O-N 3.11Å; S38-F40 VanDerWaalsContact C-N 3.29Å; S38-F40 PolarHBondContact O-N 2.95Å; F40-S42 VanDerWaalsContact C-N 3.33Å; F40-S42 PolarHBondContact O-N 3.08Å; F40-K43 WeakPolarHBondContact O-CA 3.44Å; F40-K43 PolarHBondContact O-N 2.94Å |
| 41 | L | 96.9 | Very high | 97.4 | Very high | 86 Ų | 86 | 72.4 Ų | 72.4 | 45% | 0.45 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.1 | -35.2 | 178.4 | -67.9 | 175.5 | 0 | 0 | 0 | 111.9 | Y21 E37 S38 K43 | Y21-L41 HydrophobicContact CE1-CD2 4.45Å; E37-L41 HydrophobicContact CG-CD1 3.98Å; E37-L41 HydrophobicContact CG-CG 4.44Å; E37-L41 WeakPolarHBondContact O-CG 3.32Å; E37-L41 PolarHBondContact O-N 3.01Å; S38-L41 PolarHBondContact O-N 2.95Å; L41-K43 PolarHBondContact O-N 3.31Å; L41-K43 VanDerWaalsContact O-N 3.11Å |
| 42 | S | 97.5 | Very high | 97.4 | Very high | 71 Ų | 71 | 72.4 Ų | 72.4 | 50% | 0.497 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 7.3 | 168.6 | -54.4 | 0 | 0 | 0 | 0 | 113.8 | S38 F40 R44 | S38-S42 WeakPolarHBondContact O-CB 3.44Å; S38-S42 PolarHBondContact O-N 2.87Å; S38-S42 PolarHBondContact O-OG 3.27Å; F40-S42 VanDerWaalsContact C-N 3.33Å; F40-S42 PolarHBondContact O-N 3.08Å; S42-R44 PolarHBondContact O-N 3.27Å; S42-R44 VanDerWaalsContact O-N 3.11Å |
| 43 | K | 97 | Very high | 97.3 | Very high | 192 Ų | 192 | 72.4 Ų | 72.4 | 84% | 0.835 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 27.7 | 177.3 | -55.3 | 176.1 | -176.9 | 174.2 | 0 | 114 | A39 F40 L41 | A39-K43 PolarHBondContact O-N 2.97Å; F40-K43 WeakPolarHBondContact O-CA 3.44Å; F40-K43 PolarHBondContact O-N 2.94Å; L41-K43 PolarHBondContact O-N 3.31Å; L41-K43 VanDerWaalsContact O-N 3.11Å |
| 44 | R | 97.9 | Very high | 97.2 | Very high | 133 Ų | 133 | 71.4 Ų | 71.4 | 50% | 0.502 | 36% | 0.357 | S | S | . | . | trans | -69.7 | 142.9 | 176.3 | -59.8 | -170.4 | -137.9 | 175.3 | 5.8 | 110 | F8 A39 S42 P46 | F8-R44 WeakPolarHBondContact CE2-O 3.47Å; F8-R44 HydrophobicContact CZ-CB 4.45Å; A39-R44 WeakPolarHBondContact O-CB 3.31Å; A39-R44 PolarHBondContact O-N 3.42Å; S42-R44 PolarHBondContact O-N 3.27Å; S42-R44 VanDerWaalsContact O-N 3.11Å; R44-P46 WeakPolarHBondContact O-CD 3.46Å | ||
| 45 | N | 97.5 | Very high | 97.2 | Very high | 73 Ų | 73 | 69.3 Ų | 69.3 | 39% | 0.39 | 33% | 0.333 | S | S | . | . | trans | -82.9 | 116.2 | 177.9 | -170 | -23 | 0 | 0 | 0 | 110.5 | R47 Q48 | N45-R47 PolarHBondContact O-N 2.84Å; N45-R47 VanDerWaalsContact OD1-CB 3.32Å; N45-R47 WeakPolarHBondContact OD1-CB 3.19Å; N45-R47 PolarHBondContact OD1-N 2.98Å; N45-Q48 HydrophobicContact CB-CG 4.36Å; N45-Q48 PolarHBondContact O-N 3.37Å | ||
| 46 | P | 97.9 | Very high | 97.1 | Very high | 25 Ų | 25 | 68.4 Ų | 68.4 | 16% | 0.162 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -59.5 | -25.2 | -179.9 | 23.6 | -33.6 | 0 | 0 | 0 | 112.7 | F8 R44 Q48 I49 T52 L54 | F8-P46 HydrophobicContact CD2-CB 4.22Å; F8-P46 HydrophobicContact CD2-CG 4.48Å; F8-P46 HydrophobicContact CE1-CB 4.48Å; F8-P46 HydrophobicContact CE2-CB 4.09Å; F8-P46 HydrophobicContact CE2-CG 4.46Å; F8-P46 HydrophobicContact CG-CB 4.49Å; F8-P46 HydrophobicContact CZ-CB 4.21Å; F8-P46 VanDerWaalsContact O-CB 3.32Å; F8-P46 WeakPolarHBondContact O-CB 3.43Å; R44-P46 WeakPolarHBondContact O-CD 3.46Å; P46-Q48 PolarHBondContact O-N 3.44Å; P46-I49 PolarHBondContact O-N 3.43Å; P46-I49 VanDerWaalsContact O-N 3.1Å; P46-T52 HydrophobicContact CB-CG2 4.19Å; P46-T52 PolarHBondContact O-OG1 2.64Å; P46-L54 HydrophobicContact CB-CD1 3.94Å; P46-L54 HydrophobicContact CG-CD1 3.73Å |
| 47 | R | 96.9 | Very high | 96.8 | Very high | 125 Ų | 125 | 77.6 Ų | 77.6 | 47% | 0.472 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -69.5 | -11.1 | 176.4 | -59.7 | 176.3 | -177 | -86 | 2.3 | 114.2 | N45 L54 Y55 K58 | N45-R47 PolarHBondContact O-N 2.84Å; N45-R47 VanDerWaalsContact OD1-CB 3.32Å; N45-R47 WeakPolarHBondContact OD1-CB 3.19Å; N45-R47 PolarHBondContact OD1-N 2.98Å; R47-L54 HydrophobicContact CG-CB 4.4Å; R47-Y55 VanDerWaalsContact O-CD2 3.24Å; R47-Y55 WeakPolarHBondContact O-CD2 3.4Å; R47-K58 HydrophobicContact CB-CD 4.25Å |
| 48 | Q | 97.3 | Very high | 96.7 | Very high | 134 Ų | 134 | 82.2 Ų | 82.2 | 63% | 0.626 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -104.3 | -9.1 | 173.7 | -67.9 | 174 | -19.2 | 0 | 0 | 112.1 | N45 P46 | N45-Q48 HydrophobicContact CB-CG 4.36Å; N45-Q48 PolarHBondContact O-N 3.37Å; P46-Q48 PolarHBondContact O-N 3.44Å |
| 49 | I | 97.6 | Very high | 96.6 | Very high | 36 Ų | 36 | 83.1 Ų | 83.1 | 19% | 0.185 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -95.8 | 111.8 | -178.8 | -57.9 | -57.8 | 0 | 0 | 0 | 110.3 | F8 P46 W51 T52 Y55 | F8-I49 HydrophobicContact CE1-CG1 4.47Å; F8-I49 HydrophobicContact CZ-CG1 4.04Å; P46-I49 PolarHBondContact O-N 3.43Å; P46-I49 VanDerWaalsContact O-N 3.1Å; I49-W51 VanDerWaalsContact C-N 3.29Å; I49-W51 HydrophobicContact CG2-CD2 4.25Å; I49-W51 HydrophobicContact CG2-CG 4.18Å; I49-W51 HydrophobicContact CG2-CZ2 4.18Å; I49-W51 PolarHBondContact O-N 3.2Å; I49-W51 VanDerWaalsContact O-N 3.09Å; I49-T52 HydrophobicContact CB-CG2 3.9Å; I49-T52 HydrophobicContact CG2-CG2 3.9Å; I49-T52 PolarHBondContact O-N 3.45Å; I49-T52 VanDerWaalsContact O-N 3.13Å; I49-T52 PolarHBondContact O-OG1 2.96Å; I49-T52 VanDerWaalsContact O-OG1 3.08Å; I49-Y55 WeakPolarHBondContact O-CB 3.3Å |
| 50 | N | 96.8 | Very high | 96.3 | Very high | 102 Ų | 102 | 92 Ų | 92 | 55% | 0.545 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -35.6 | -165.4 | -65.7 | 8.3 | 0 | 0 | 0 | 115.9 | Y55 | N50-Y55 HydrophobicContact CB-CD1 4.46Å; N50-Y55 HydrophobicContact CB-CE1 4.23Å; N50-Y55 VanDerWaalsContact O-CD1 3.26Å; N50-Y55 WeakPolarHBondContact O-CD1 3.47Å; N50-Y55 WeakPolarHBondContact OD1-CE2 3.39Å; N50-Y55 PolarHBondContact OD1-OH 2.96Å |
| 51 | W | 95.4 | Very high | 96 | Very high | 80 Ų | 80 | 95 Ų | 95 | 30% | 0.303 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -5.3 | -173.1 | 60.6 | -96.6 | 0 | 0 | 0 | 114 | F8 Y11 K35 I49 | F8-W51 HydrophobicContact CD1-CH2 4.2Å; F8-W51 HydrophobicContact CD1-CZ2 4.43Å; F8-W51 HydrophobicContact CE1-CH2 4.32Å; F8-W51 HydrophobicContact CE1-CZ2 4.09Å; Y11-W51 HydrophobicContact CD2-CZ3 4.33Å; Y11-W51 AromaticContact CE2-CE3 3.9Å; Y11-W51 HydrophobicContact CE2-CE3 3.9Å; Y11-W51 HydrophobicContact CE2-CZ3 4.03Å; Y11-W51 PolarHBondContact OH-O 3.28Å; Y11-W51 VanDerWaalsContact OH-O 3.05Å; K35-W51 HydrophobicContact CD-CZ2 4.27Å; K35-W51 HydrophobicContact CG-CZ2 4.36Å; I49-W51 VanDerWaalsContact C-N 3.29Å; I49-W51 HydrophobicContact CG2-CD2 4.25Å; I49-W51 HydrophobicContact CG2-CG 4.18Å; I49-W51 HydrophobicContact CG2-CZ2 4.18Å; I49-W51 PolarHBondContact O-N 3.2Å; I49-W51 VanDerWaalsContact O-N 3.09Å |
| 52 | T | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 93.2 Ų | 93.2 | 0% | 0 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -80.3 | 152.1 | 179.9 | 72.9 | 0 | 0 | 0 | 0 | 111.9 | F8 P46 I49 L54 Y55 R56 | F8-T52 HydrophobicContact CD1-CG2 4.25Å; F8-T52 HydrophobicContact CE1-CG2 3.99Å; P46-T52 HydrophobicContact CB-CG2 4.19Å; P46-T52 PolarHBondContact O-OG1 2.64Å; I49-T52 HydrophobicContact CB-CG2 3.9Å; I49-T52 HydrophobicContact CG2-CG2 3.9Å; I49-T52 PolarHBondContact O-N 3.45Å; I49-T52 VanDerWaalsContact O-N 3.13Å; I49-T52 PolarHBondContact O-OG1 2.96Å; I49-T52 VanDerWaalsContact O-OG1 3.08Å; T52-L54 VanDerWaalsContact C-N 3.25Å; T52-L54 PolarHBondContact O-N 3.42Å; T52-Y55 PolarHBondContact O-N 3.35Å; T52-Y55 WeakPolarHBondContact OG1-CB 3.23Å; T52-Y55 PolarHBondContact OG1-N 2.76Å; T52-R56 WeakPolarHBondContact O-CG 3.48Å; T52-R56 PolarHBondContact O-N 2.85Å; T52-R56 VanDerWaalsContact O-N 3.1Å |
| 53 | V | 95.7 | Very high | 94.6 | Very high | 49 Ų | 49 | 99 Ų | 99 | 30% | 0.297 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.8 | -36.5 | 174.7 | 176.8 | 0 | 0 | 0 | 0 | 111 | S9 Y11 R56 R57 | S9-V53 WeakPolarHBondContact O-CB 3.24Å; S9-V53 WeakPolarHBondContact O-CG2 3.28Å; S9-V53 PolarHBondContact O-N 2.68Å; Y11-V53 HydrophobicContact CE1-CG2 4.37Å; V53-R56 PolarHBondContact O-N 3.37Å; V53-R57 WeakPolarHBondContact O-CB 3.2Å; V53-R57 PolarHBondContact O-N 3.3Å |
| 54 | L | 96 | Very high | 93.3 | Very high | 48 Ų | 48 | 94.2 Ų | 94.2 | 25% | 0.251 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 178 | -77.7 | 164.6 | 0 | 0 | 0 | 112.5 | P46 R47 T52 R57 K58 | P46-L54 HydrophobicContact CB-CD1 3.94Å; P46-L54 HydrophobicContact CG-CD1 3.73Å; R47-L54 HydrophobicContact CG-CB 4.4Å; T52-L54 VanDerWaalsContact C-N 3.25Å; T52-L54 PolarHBondContact O-N 3.42Å; L54-R57 PolarHBondContact O-N 2.91Å; L54-K58 PolarHBondContact O-N 3.12Å |
| 55 | Y | 96.9 | Very high | 91.9 | Very high | 29 Ų | 29 | 96.6 Ų | 96.6 | 11% | 0.114 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -61.5 | -48.1 | 174.1 | 177.1 | -80.9 | 0 | 0 | 0 | 110.9 | R47 I49 N50 T52 R57 K58 H59 K61 | R47-Y55 VanDerWaalsContact O-CD2 3.24Å; R47-Y55 WeakPolarHBondContact O-CD2 3.4Å; I49-Y55 WeakPolarHBondContact O-CB 3.3Å; N50-Y55 HydrophobicContact CB-CD1 4.46Å; N50-Y55 HydrophobicContact CB-CE1 4.23Å; N50-Y55 VanDerWaalsContact O-CD1 3.26Å; N50-Y55 WeakPolarHBondContact O-CD1 3.47Å; N50-Y55 WeakPolarHBondContact OD1-CE2 3.39Å; N50-Y55 PolarHBondContact OD1-OH 2.96Å; T52-Y55 PolarHBondContact O-N 3.35Å; T52-Y55 WeakPolarHBondContact OG1-CB 3.23Å; T52-Y55 PolarHBondContact OG1-N 2.76Å; Y55-R57 VanDerWaalsContact C-N 3.32Å; Y55-R57 PolarHBondContact O-N 2.83Å; Y55-K58 PolarHBondContact O-N 2.89Å; Y55-H59 AromaticContact CD1-ND1 3.62Å; Y55-H59 AromaticContact CD2-CE1 3.4Å; Y55-H59 WeakPolarHBondContact CD2-CE1 3.37Å; Y55-H59 AromaticContact CD2-ND1 3.57Å; Y55-H59 HydrophobicContact CE1-CB 4.29Å; Y55-H59 AromaticContact CE1-CG 3.91Å; Y55-H59 AromaticContact CE1-ND1 3.53Å; Y55-H59 AromaticContact CE2-CE1 3.14Å; Y55-H59 WeakPolarHBondContact CE2-CE1 3.48Å; Y55-H59 AromaticContact CE2-ND1 3.5Å; Y55-H59 AromaticContact CE2-NE2 3.83Å; Y55-H59 AromaticContact CG-CE1 3.95Å; Y55-H59 AromaticContact CG-ND1 3.62Å; Y55-H59 AromaticContact CZ-CE1 3.49Å; Y55-H59 VanDerWaalsContact CZ-CE1 3.49Å; Y55-H59 AromaticContact CZ-CG 3.9Å; Y55-H59 AromaticContact CZ-ND1 3.48Å; Y55-H59 AromaticContact CZ-NE2 3.94Å; Y55-H59 PolarHBondContact O-N 3.23Å; Y55-H59 PolarHBondContact O-ND1 3.13Å; Y55-K61 HydrophobicContact CE1-CD 4.16Å |
| 56 | R | 95.6 | Very high | 90 | Very high | 111 Ų | 111 | 101.9 Ų | 101.9 | 42% | 0.419 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | -179.9 | -69.1 | -177.7 | 69.8 | 178.9 | 5.4 | 111.7 | T52 V53 H59 K60 K61 | T52-R56 WeakPolarHBondContact O-CG 3.48Å; T52-R56 PolarHBondContact O-N 2.85Å; T52-R56 VanDerWaalsContact O-N 3.1Å; V53-R56 PolarHBondContact O-N 3.37Å; R56-H59 CarbonylContact O-C 3.59Å; R56-H59 PolarHBondContact O-N 2.67Å; R56-K60 PolarHBondContact O-N 2.65Å; R56-K61 HydrophobicContact CB-CB 4.09Å; R56-K61 HydrophobicContact CG-CB 4.21Å; R56-K61 PolarHBondContact O-N 3.07Å |
| 57 | R | 92.2 | Very high | 88.4 | Confident | 193 Ų | 193 | 106.6 Ų | 106.6 | 73% | 0.728 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.2 | -44.1 | 175 | -170.9 | -178.9 | -67 | 175.7 | -0.8 | 112.4 | V53 L54 Y55 H59 K60 | V53-R57 WeakPolarHBondContact O-CB 3.2Å; V53-R57 PolarHBondContact O-N 3.3Å; L54-R57 PolarHBondContact O-N 2.91Å; Y55-R57 VanDerWaalsContact C-N 3.32Å; Y55-R57 PolarHBondContact O-N 2.83Å; R57-H59 VanDerWaalsContact C-N 3.33Å; R57-H59 PolarHBondContact O-N 2.84Å; R57-K60 PolarHBondContact O-N 2.96Å |
| 58 | K | 94.6 | Very high | 87 | Confident | 125 Ų | 125 | 105.2 Ų | 105.2 | 54% | 0.543 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 177.2 | -179.4 | -175.1 | 172.4 | -167.9 | 0 | 111.7 | R47 L54 Y55 K60 | R47-K58 HydrophobicContact CB-CD 4.25Å; L54-K58 PolarHBondContact O-N 3.12Å; Y55-K58 PolarHBondContact O-N 2.89Å; K58-K60 VanDerWaalsContact C-N 3.33Å |
| 59 | H | 95.4 | Very high | 85.7 | Confident | 79 Ų | 79 | 108.1 Ų | 108.1 | 37% | 0.366 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 12.7 | -177.2 | -59.9 | 86.3 | 0 | 0 | 0 | 113.2 | Y55 R56 R57 K61 | Y55-H59 AromaticContact CD1-ND1 3.62Å; Y55-H59 AromaticContact CD2-CE1 3.4Å; Y55-H59 WeakPolarHBondContact CD2-CE1 3.37Å; Y55-H59 AromaticContact CD2-ND1 3.57Å; Y55-H59 HydrophobicContact CE1-CB 4.29Å; Y55-H59 AromaticContact CE1-CG 3.91Å; Y55-H59 AromaticContact CE1-ND1 3.53Å; Y55-H59 AromaticContact CE2-CE1 3.14Å; Y55-H59 WeakPolarHBondContact CE2-CE1 3.48Å; Y55-H59 AromaticContact CE2-ND1 3.5Å; Y55-H59 AromaticContact CE2-NE2 3.83Å; Y55-H59 AromaticContact CG-CE1 3.95Å; Y55-H59 AromaticContact CG-ND1 3.62Å; Y55-H59 AromaticContact CZ-CE1 3.49Å; Y55-H59 VanDerWaalsContact CZ-CE1 3.49Å; Y55-H59 AromaticContact CZ-CG 3.9Å; Y55-H59 AromaticContact CZ-ND1 3.48Å; Y55-H59 AromaticContact CZ-NE2 3.94Å; Y55-H59 PolarHBondContact O-N 3.23Å; Y55-H59 PolarHBondContact O-ND1 3.13Å; R56-H59 CarbonylContact O-C 3.59Å; R56-H59 PolarHBondContact O-N 2.67Å; R57-H59 VanDerWaalsContact C-N 3.33Å; R57-H59 PolarHBondContact O-N 2.84Å; H59-K61 HydrophobicContact CB-CG 4.08Å; H59-K61 PolarHBondContact O-N 2.72Å; H59-K61 VanDerWaalsContact O-N 3.09Å |
| 60 | K | 91.8 | Very high | 84.3 | Confident | 191 Ų | 191 | 115.9 Ų | 115.9 | 83% | 0.83 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.7 | 36 | 179.1 | -54.2 | 176.2 | -176.7 | -177.7 | 0 | 113 | R56 R57 K58 | R56-K60 PolarHBondContact O-N 2.65Å; R57-K60 PolarHBondContact O-N 2.96Å; K58-K60 VanDerWaalsContact C-N 3.33Å |
| 61 | K | 91.7 | Very high | 83.2 | Confident | 112 Ų | 112 | 122.1 Ų | 122.1 | 49% | 0.487 | 58% | 0.577 | S | S | . | * | trans | -85.9 | 128.5 | 177.5 | -64.9 | -168.3 | 177.6 | -170.8 | 0 | 110.3 | Y55 R56 H59 | Y55-K61 HydrophobicContact CE1-CD 4.16Å; R56-K61 HydrophobicContact CB-CB 4.09Å; R56-K61 HydrophobicContact CG-CB 4.21Å; R56-K61 PolarHBondContact O-N 3.07Å; H59-K61 HydrophobicContact CB-CG 4.08Å; H59-K61 PolarHBondContact O-N 2.72Å; H59-K61 VanDerWaalsContact O-N 3.09Å | ||
| 62 | G | 85.8 | Confident | 82.3 | Confident | 49 Ų | 49 | 123.8 Ų | 123.8 | 51% | 0.505 | 60% | 0.596 | S | S | . | * | S | Bend | trans | 102.2 | 165.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | S64 | G62-S64 PolarHBondContact O-N 3.38Š|
| 63 | Q | 78.8 | Confident | 81.3 | Confident | 193 Ų | 193 | 135.5 Ų | 135.5 | 90% | 0.902 | 64% | 0.64 | S | S | * | * | trans | -74.5 | 110.6 | 173.7 | -59.5 | -63.3 | -7.8 | 0 | 0 | 107.7 | E65 | Q63-E65 PolarHBondContact O-N 3.35Š| ||
| 64 | S | 69.6 | Low | 80.4 | Confident | 91 Ų | 91 | 144 Ų | 144 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | trans | -69.9 | 118.2 | 156.4 | 51.6 | 0 | 0 | 0 | 0 | 105.8 | G62 E66 | G62-S64 PolarHBondContact O-N 3.38Å; S64-E66 PolarHBondContact O-N 3.23Å | ||
| 65 | E | 68.1 | Low | 79.7 | Confident | 184 Ų | 184 | 145.8 Ų | 145.8 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | trans | -43.9 | 118 | 156.2 | -74.5 | 174.2 | 170.4 | 0 | 0 | 105.6 | Q63 V67 | Q63-E65 PolarHBondContact O-N 3.35Å; E65-V67 VanDerWaalsContact C-N 3.35Å; E65-V67 PolarHBondContact O-N 3.26Å | ||
| 66 | E | 58.7 | Low | 78.9 | Confident | 184 Ų | 184 | 150.3 Ų | 150.3 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | trans | -46.5 | 104 | -170 | -69.6 | -177.7 | 147.7 | 0 | 0 | 107.7 | S64 S68 | S64-E66 PolarHBondContact O-N 3.23Å; E66-S68 PolarHBondContact O-N 3.18Å | ||
| 67 | V | 65.1 | Low | 78.2 | Confident | 123 Ų | 123 | 153.7 Ų | 153.7 | 75% | 0.745 | 74% | 0.737 | S | S | * | * | trans | -69.4 | 86.8 | 170.1 | 178.1 | 0 | 0 | 0 | 0 | 101.9 | E65 K69 | E65-V67 VanDerWaalsContact C-N 3.35Å; E65-V67 PolarHBondContact O-N 3.26Å; V67-K69 PolarHBondContact O-N 3.43Å | ||
| 68 | S | 66.2 | Low | 77.4 | Confident | 96 Ų | 96 | 153.7 Ų | 153.7 | 67% | 0.671 | 74% | 0.742 | S | S | * | * | trans | -45.9 | 113.9 | 173.8 | 60.5 | 0 | 0 | 0 | 0 | 103.9 | E66 K70 | E66-S68 PolarHBondContact O-N 3.18Å; S68-K70 PolarHBondContact O-N 3.29Å | ||
| 69 | K | 70.4 | Confident | 76.3 | Confident | 195 Ų | 195 | 155.4 Ų | 155.4 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | trans | -49.4 | 116.1 | -178.8 | -74.5 | 176.8 | 178.5 | 173.5 | 0 | 104.2 | V67 R71 | V67-K69 PolarHBondContact O-N 3.43Å; K69-R71 PolarHBondContact O-N 3.04Å | ||
| 70 | K | 69.2 | Low | 75.5 | Confident | 199 Ų | 199 | 162.2 Ų | 162.2 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | trans | -57.1 | 96.2 | -178.3 | -92 | -171.9 | 176.8 | -179 | 0 | 106.3 | S68 T72 | S68-K70 PolarHBondContact O-N 3.29Å; K70-T72 PolarHBondContact O-N 3.06Å; K70-T72 VanDerWaalsContact O-N 3.07Å | ||
| 71 | R | 73.3 | Confident | 75.1 | Confident | 233 Ų | 233 | 156.2 Ų | 156.2 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | trans | -66.9 | 114.7 | 179.8 | -155.4 | 178.5 | -171 | -168.4 | 3.4 | 103.8 | K69 R73 | K69-R71 PolarHBondContact O-N 3.04Å; R71-R73 PolarHBondContact O-N 3.45Å | ||
| 72 | T | 75.3 | Confident | 74.8 | Confident | 116 Ų | 116 | 156.3 Ų | 156.3 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | trans | -58.3 | 111.3 | 178.7 | 39.5 | 0 | 0 | 0 | 0 | 107.5 | K70 R74 | K70-T72 PolarHBondContact O-N 3.06Å; K70-T72 VanDerWaalsContact O-N 3.07Å; T72-R74 PolarHBondContact O-N 3.06Å; T72-R74 VanDerWaalsContact O-N 3.13Å | ||
| 73 | R | 76.5 | Confident | 74.8 | Confident | 246 Ų | 246 | 160.9 Ų | 160.9 | 93% | 0.928 | 78% | 0.784 | S | S | * | * | trans | -66.7 | 113 | 174.9 | -77.9 | -173.8 | 178.2 | 175.8 | -0.5 | 107.4 | R71 | R71-R73 PolarHBondContact O-N 3.45Š| ||
| 74 | R | 78.5 | Confident | 75 | Confident | 227 Ų | 227 | 155.9 Ų | 155.9 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | trans | -91.1 | 99.1 | 166.2 | -68.3 | -175.7 | -178.7 | -170.1 | -0.3 | 107.6 | T72 | T72-R74 PolarHBondContact O-N 3.06Å; T72-R74 VanDerWaalsContact O-N 3.13Å | ||
| 75 | A | 79.8 | Confident | 75.7 | Confident | 85 Ų | 85 | 152.9 Ų | 152.9 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | trans | -88.5 | 115.8 | 171 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 76 | V | 80.5 | Confident | 76.7 | Confident | 124 Ų | 124 | 146.5 Ų | 146.5 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | trans | -113 | 116.6 | 166.6 | -174.8 | 0 | 0 | 0 | 0 | 106.9 | F78 | V76-F78 HydrophobicContact CG1-CD2 4.21Å; V76-F78 HydrophobicContact CG1-CE2 4.35Å | ||
| 77 | K | 80.9 | Confident | 77.9 | Confident | 183 Ų | 183 | 141 Ų | 141 | 80% | 0.796 | 72% | 0.716 | S | S | * | * | trans | -123.8 | 120.5 | 178.7 | -67.4 | -176.9 | -179.9 | -178.5 | 0 | 109.2 | ||||
| 78 | F | 75 | Confident | 78.9 | Confident | 193 Ų | 193 | 138.4 Ų | 138.4 | 85% | 0.846 | 71% | 0.708 | S | S | * | * | trans | -145.9 | 97.9 | 162.4 | -72.2 | -75.6 | 0 | 0 | 0 | 110.5 | V76 | V76-F78 HydrophobicContact CG1-CD2 4.21Å; V76-F78 HydrophobicContact CG1-CE2 4.35Å | ||
| 79 | Q | 71.7 | Confident | 79.8 | Confident | 161 Ų | 161 | 138.1 Ų | 138.1 | 75% | 0.752 | 70% | 0.696 | S | S | * | * | trans | -150.9 | 96.9 | 161.4 | -93.2 | 150 | 4.1 | 0 | 0 | 106.5 | ||||
| 80 | R | 78.4 | Confident | 80.6 | Confident | 222 Ų | 222 | 130.6 Ų | 130.6 | 84% | 0.838 | 66% | 0.664 | S | S | * | * | trans | -127.9 | 134.3 | 170 | -66.4 | -179.3 | 73.8 | -174 | 2.6 | 107.4 | ||||
| 81 | A | 83.6 | Confident | 81.5 | Confident | 64 Ų | 64 | 124 Ų | 124 | 53% | 0.529 | 64% | 0.638 | S | S | . | * | trans | -67.4 | 157 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | L87 | A81-L87 HydrophobicContact CB-CB 4.29Š| ||
| 82 | I | 85.9 | Confident | 82.2 | Confident | 114 Ų | 114 | 115.8 Ų | 115.8 | 59% | 0.585 | 62% | 0.621 | S | S | * | * | B | Isolated β-bridge | trans | -116 | 144.4 | 177.6 | -56.9 | 172.2 | 0 | 0 | 0 | 107 | G84 A85 I90 | I82-G84 PolarHBondContact O-N 3.27Å; I82-A85 CarbonylContact O-C 3.48Å; I82-A85 PolarHBondContact O-N 2.96Å; I82-A85 VanDerWaalsContact O-N 3.07Å; I82-I90 HydrophobicContact CD1-CD1 4.41Å; I82-I90 HydrophobicContact CG1-CD1 4.38Å |
| 83 | T | 84.5 | Confident | 82.7 | Confident | 146 Ų | 146 | 116.8 Ų | 116.8 | 90% | 0.896 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | 123.6 | 173.6 | 48.7 | 0 | 0 | 0 | 0 | 109.7 | ||
| 84 | G | 83.8 | Confident | 83.2 | Confident | 88 Ų | 88 | 112.4 Ų | 112.4 | 91% | 0.907 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 94.4 | -2.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | I82 | I82-G84 PolarHBondContact O-N 3.27Š|
| 85 | A | 85 | Confident | 83.7 | Confident | 28 Ų | 28 | 107.1 Ų | 107.1 | 23% | 0.231 | 59% | 0.587 | C | S | . | * | B | Isolated β-bridge | trans | -150.7 | 121.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I82 I90 | I82-A85 CarbonylContact O-C 3.48Å; I82-A85 PolarHBondContact O-N 2.96Å; I82-A85 VanDerWaalsContact O-N 3.07Å; A85-I90 HydrophobicContact CB-CD1 4.24Å; A85-I90 HydrophobicContact CB-CG1 4.01Å |
| 86 | S | 88.1 | Confident | 84.2 | Confident | 49 Ų | 49 | 106.2 Ų | 106.2 | 34% | 0.343 | 57% | 0.568 | S | S | . | * | trans | -65.3 | 157.3 | 176.8 | 69.4 | 0 | 0 | 0 | 0 | 111.6 | A88 E89 I90 | S86-A88 PolarHBondContact O-N 2.8Å; S86-E89 WeakPolarHBondContact CB-OE1 3.33Å; S86-E89 PolarHBondContact N-OE1 3.31Å; S86-E89 PolarHBondContact O-N 2.76Å; S86-E89 VanDerWaalsContact OG-CG 3.3Å; S86-E89 WeakPolarHBondContact OG-CG 3.36Å; S86-E89 PolarHBondContact OG-N 2.84Å; S86-E89 PolarHBondContact OG-OE1 3.47Å; S86-I90 WeakPolarHBondContact O-CG1 3.43Å; S86-I90 PolarHBondContact O-N 3.09Å; S86-I90 VanDerWaalsContact O-N 3.1Å | ||
| 87 | L | 83.6 | Confident | 84.8 | Confident | 68 Ų | 68 | 107.3 Ų | 107.3 | 36% | 0.356 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -57.5 | -36.1 | 176.4 | -176.3 | 65.2 | 0 | 0 | 0 | 111.4 | A81 I90 L91 | A81-L87 HydrophobicContact CB-CB 4.29Å; L87-I90 PolarHBondContact O-N 3.28Å; L87-L91 HydrophobicContact CG-CD1 4.14Å; L87-L91 WeakPolarHBondContact O-CB 3.45Å; L87-L91 VanDerWaalsContact O-CG 3.32Å; L87-L91 WeakPolarHBondContact O-CG 3.44Å; L87-L91 PolarHBondContact O-N 2.97Å |
| 88 | A | 86.3 | Confident | 85.3 | Confident | 69 Ų | 69 | 102.8 Ų | 102.8 | 57% | 0.57 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.6 | -44.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | S86 I90 L91 A92 | S86-A88 PolarHBondContact O-N 2.8Å; A88-I90 PolarHBondContact O-N 2.88Å; A88-L91 PolarHBondContact O-N 3.44Å; A88-A92 VanDerWaalsContact O-CB 3.31Å; A88-A92 WeakPolarHBondContact O-CB 3.26Å; A88-A92 PolarHBondContact O-N 3.18Å |
| 89 | E | 86.3 | Confident | 86.1 | Confident | 90 Ų | 90 | 100.6 Ų | 100.6 | 42% | 0.421 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 176.5 | -73 | 157.5 | -125.5 | 0 | 0 | 112.6 | S86 L91 A92 K93 | S86-E89 WeakPolarHBondContact CB-OE1 3.33Å; S86-E89 PolarHBondContact N-OE1 3.31Å; S86-E89 PolarHBondContact O-N 2.76Å; S86-E89 VanDerWaalsContact OG-CG 3.3Å; S86-E89 WeakPolarHBondContact OG-CG 3.36Å; S86-E89 PolarHBondContact OG-N 2.84Å; S86-E89 PolarHBondContact OG-OE1 3.47Å; E89-L91 VanDerWaalsContact C-N 3.35Å; E89-A92 PolarHBondContact O-N 2.84Å; E89-K93 WeakPolarHBondContact O-CG 3.3Å; E89-K93 PolarHBondContact O-N 3.49Å |
| 90 | I | 86.5 | Confident | 87 | Confident | 37 Ų | 37 | 96 Ų | 96 | 19% | 0.19 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 177.1 | -65.7 | 169.5 | 0 | 0 | 0 | 110.1 | I82 A85 S86 L87 A88 R94 | I82-I90 HydrophobicContact CD1-CD1 4.41Å; I82-I90 HydrophobicContact CG1-CD1 4.38Å; A85-I90 HydrophobicContact CB-CD1 4.24Å; A85-I90 HydrophobicContact CB-CG1 4.01Å; S86-I90 WeakPolarHBondContact O-CG1 3.43Å; S86-I90 PolarHBondContact O-N 3.09Å; S86-I90 VanDerWaalsContact O-N 3.1Å; L87-I90 PolarHBondContact O-N 3.28Å; A88-I90 PolarHBondContact O-N 2.88Å; I90-R94 WeakPolarHBondContact O-CB 3.39Å; I90-R94 PolarHBondContact O-N 3.5Å |
| 91 | L | 87.4 | Confident | 87.7 | Confident | 61 Ų | 61 | 91.2 Ų | 91.2 | 32% | 0.319 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 176 | -73.8 | 170 | 0 | 0 | 0 | 111.7 | L87 A88 E89 R94 N95 | L87-L91 HydrophobicContact CG-CD1 4.14Å; L87-L91 WeakPolarHBondContact O-CB 3.45Å; L87-L91 VanDerWaalsContact O-CG 3.32Å; L87-L91 WeakPolarHBondContact O-CG 3.44Å; L87-L91 PolarHBondContact O-N 2.97Å; A88-L91 PolarHBondContact O-N 3.44Å; E89-L91 VanDerWaalsContact C-N 3.35Å; L91-R94 PolarHBondContact O-N 3.24Å; L91-N95 VanDerWaalsContact O-CB 3.24Å; L91-N95 WeakPolarHBondContact O-CB 3.03Å; L91-N95 PolarHBondContact O-N 2.89Å; L91-N95 PolarHBondContact O-ND2 3.03Å |
| 92 | A | 87.6 | Confident | 88.1 | Confident | 61 Ų | 61 | 94.6 Ų | 94.6 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A88 E89 N95 Q96 | A88-A92 VanDerWaalsContact O-CB 3.31Å; A88-A92 WeakPolarHBondContact O-CB 3.26Å; A88-A92 PolarHBondContact O-N 3.18Å; E89-A92 PolarHBondContact O-N 2.84Å; A92-N95 PolarHBondContact O-N 3.38Å; A92-Q96 WeakPolarHBondContact O-CG 3.47Å; A92-Q96 PolarHBondContact O-N 2.93Å |
| 93 | K | 86.8 | Confident | 88.4 | Confident | 136 Ų | 136 | 91.3 Ų | 91.3 | 59% | 0.591 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.3 | -42.7 | 175.8 | -71.3 | 177 | -178.1 | 172.1 | 0 | 112 | E89 N95 Q96 | E89-K93 WeakPolarHBondContact O-CG 3.3Å; E89-K93 PolarHBondContact O-N 3.49Å; K93-N95 VanDerWaalsContact C-N 3.31Å; K93-N95 PolarHBondContact O-N 2.79Å; K93-Q96 PolarHBondContact O-N 3.19Å |
| 94 | R | 86.7 | Confident | 88.8 | Confident | 155 Ų | 155 | 89 Ų | 89 | 59% | 0.585 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.1 | -32.1 | 179.3 | -176.7 | -177.6 | -70.8 | 142.4 | -2.2 | 112.7 | I90 L91 R101 | I90-R94 WeakPolarHBondContact O-CB 3.39Å; I90-R94 PolarHBondContact O-N 3.5Å; L91-R94 PolarHBondContact O-N 3.24Å; R94-R101 PolarHBondContact O-NH2 2.91Å |
| 95 | N | 89.1 | Confident | 89.2 | Confident | 116 Ų | 116 | 93.5 Ų | 93.5 | 62% | 0.62 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 2.1 | -176.5 | -65.5 | -12.9 | 0 | 0 | 0 | 113.3 | L91 A92 K93 K97 | L91-N95 VanDerWaalsContact O-CB 3.24Å; L91-N95 WeakPolarHBondContact O-CB 3.03Å; L91-N95 PolarHBondContact O-N 2.89Å; L91-N95 PolarHBondContact O-ND2 3.03Å; A92-N95 PolarHBondContact O-N 3.38Å; K93-N95 VanDerWaalsContact C-N 3.31Å; K93-N95 PolarHBondContact O-N 2.79Å; N95-K97 PolarHBondContact O-N 3.49Å |
| 96 | Q | 91.1 | Very high | 89.7 | Confident | 65 Ų | 65 | 97 Ų | 97 | 30% | 0.304 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -56.2 | 132.3 | 172.7 | -76.3 | 174 | 1.5 | 0 | 0 | 110.8 | A92 K93 R101 | A92-Q96 WeakPolarHBondContact O-CG 3.47Å; A92-Q96 PolarHBondContact O-N 2.93Å; K93-Q96 PolarHBondContact O-N 3.19Å; Q96-R101 HydrophobicContact CB-CG 4.28Å; Q96-R101 VanDerWaalsContact O-CZ 3.27Å; Q96-R101 PolarHBondContact O-NE 2.84Å; Q96-R101 PolarHBondContact O-NH2 3.37Å |
| 97 | K | 92.9 | Very high | 89.9 | Confident | 148 Ų | 148 | 100.8 Ų | 100.8 | 64% | 0.643 | 50% | 0.495 | S | S | * | . | trans | -57.5 | 146.6 | 178.9 | -67.1 | -176.5 | 180 | -180 | 0 | 110.9 | N95 E99 V100 R101 | N95-K97 PolarHBondContact O-N 3.49Å; K97-E99 PolarHBondContact O-N 2.91Å; K97-E99 VanDerWaalsContact O-N 3.12Å; K97-V100 HydrophobicContact CB-CG2 4.48Å; K97-V100 PolarHBondContact O-N 3.05Å; K97-V100 VanDerWaalsContact O-N 3.11Å; K97-R101 PolarHBondContact O-N 3.33Å | ||
| 98 | P | 91.3 | Very high | 90.4 | Very high | 87 Ų | 87 | 100.5 Ų | 100.5 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -54.8 | -31.7 | 179.3 | -27.3 | 35.1 | 0 | 0 | 0 | 114 | R101 K102 | P98-R101 PolarHBondContact O-N 3.13Å; P98-K102 WeakPolarHBondContact O-CB 3.31Å; P98-K102 VanDerWaalsContact O-CG 3.28Å; P98-K102 WeakPolarHBondContact O-CG 3.29Å; P98-K102 PolarHBondContact O-N 3.35Å |
| 99 | E | 91.8 | Very high | 90.8 | Very high | 147 Ų | 147 | 100.6 Ų | 100.6 | 69% | 0.687 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.1 | -45.7 | 177.8 | -66.1 | 168.5 | 178.5 | 0 | 0 | 112.2 | K97 R101 K102 A103 | K97-E99 PolarHBondContact O-N 2.91Å; K97-E99 VanDerWaalsContact O-N 3.12Å; E99-R101 VanDerWaalsContact C-N 3.31Å; E99-R101 PolarHBondContact O-N 3.39Å; E99-K102 PolarHBondContact O-N 2.97Å; E99-A103 WeakPolarHBondContact O-CB 3.46Å; E99-A103 PolarHBondContact O-N 3.2Å |
| 100 | V | 91.3 | Very high | 91.1 | Very high | 66 Ų | 66 | 103.7 Ų | 103.7 | 40% | 0.4 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 177.3 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | K97 A103 Q104 | K97-V100 HydrophobicContact CB-CG2 4.48Å; K97-V100 PolarHBondContact O-N 3.05Å; K97-V100 VanDerWaalsContact O-N 3.11Å; V100-A103 PolarHBondContact O-N 3.1Å; V100-Q104 WeakPolarHBondContact O-CG 3.37Å; V100-Q104 PolarHBondContact O-N 3.39Å |
| 101 | R | 91.5 | Very high | 91.5 | Very high | 120 Ų | 120 | 104.5 Ų | 104.5 | 45% | 0.453 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.1 | -40.7 | 176.3 | -60.7 | -173.4 | -152.5 | 173.6 | 7 | 112.3 | R94 Q96 K97 P98 E99 R105 | R94-R101 PolarHBondContact O-NH2 2.91Å; Q96-R101 HydrophobicContact CB-CG 4.28Å; Q96-R101 VanDerWaalsContact O-CZ 3.27Å; Q96-R101 PolarHBondContact O-NE 2.84Å; Q96-R101 PolarHBondContact O-NH2 3.37Å; K97-R101 PolarHBondContact O-N 3.33Å; P98-R101 PolarHBondContact O-N 3.13Å; E99-R101 VanDerWaalsContact C-N 3.31Å; E99-R101 PolarHBondContact O-N 3.39Å; R101-R105 VanDerWaalsContact O-CB 3.3Å; R101-R105 WeakPolarHBondContact O-CB 3.19Å; R101-R105 PolarHBondContact O-N 3.15Å |
| 102 | K | 92.4 | Very high | 91.8 | Very high | 135 Ų | 135 | 104.4 Ų | 104.4 | 59% | 0.587 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.7 | -45.5 | 177 | -75.5 | 175 | -178.6 | -177 | 0 | 110.8 | P98 E99 Q104 R105 E106 | P98-K102 WeakPolarHBondContact O-CB 3.31Å; P98-K102 VanDerWaalsContact O-CG 3.28Å; P98-K102 WeakPolarHBondContact O-CG 3.29Å; P98-K102 PolarHBondContact O-N 3.35Å; E99-K102 PolarHBondContact O-N 2.97Å; K102-Q104 PolarHBondContact O-N 2.82Å; K102-R105 WeakPolarHBondContact O-CB 3.5Å; K102-R105 PolarHBondContact O-N 2.92Å; K102-E106 WeakPolarHBondContact O-CG 3.29Å; K102-E106 PolarHBondContact O-N 3.34Å |
| 103 | A | 93 | Very high | 92.2 | Very high | 45 Ų | 45 | 107.9 Ų | 107.9 | 37% | 0.372 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E99 V100 R105 E106 Q107 | E99-A103 WeakPolarHBondContact O-CB 3.46Å; E99-A103 PolarHBondContact O-N 3.2Å; V100-A103 PolarHBondContact O-N 3.1Å; A103-R105 VanDerWaalsContact C-N 3.32Å; A103-R105 PolarHBondContact O-N 3.34Å; A103-E106 PolarHBondContact O-N 2.98Å; A103-Q107 WeakPolarHBondContact O-CB 3.42Å; A103-Q107 VanDerWaalsContact O-CG 3.3Å; A103-Q107 WeakPolarHBondContact O-CG 3.15Å; A103-Q107 PolarHBondContact O-N 3.47Å |
| 104 | Q | 92.1 | Very high | 92.4 | Very high | 99 Ų | 99 | 107.5 Ų | 107.5 | 46% | 0.463 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 175.6 | -72 | 174.4 | -0.8 | 0 | 0 | 112.2 | V100 K102 A108 | V100-Q104 WeakPolarHBondContact O-CG 3.37Å; V100-Q104 PolarHBondContact O-N 3.39Å; K102-Q104 PolarHBondContact O-N 2.82Å; Q104-A108 WeakPolarHBondContact O-CB 3.43Å; Q104-A108 PolarHBondContact O-N 2.86Å |
| 105 | R | 93.3 | Very high | 92.7 | Very high | 182 Ų | 182 | 102.5 Ų | 102.5 | 69% | 0.687 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.1 | -44.7 | 176.6 | -176.1 | -179.3 | -177 | -175.3 | 1.4 | 111.7 | R101 K102 A103 A108 I109 | R101-R105 VanDerWaalsContact O-CB 3.3Å; R101-R105 WeakPolarHBondContact O-CB 3.19Å; R101-R105 PolarHBondContact O-N 3.15Å; K102-R105 WeakPolarHBondContact O-CB 3.5Å; K102-R105 PolarHBondContact O-N 2.92Å; A103-R105 VanDerWaalsContact C-N 3.32Å; A103-R105 PolarHBondContact O-N 3.34Å; R105-A108 PolarHBondContact O-N 2.85Å; R105-I109 HydrophobicContact CG-CD1 3.92Å; R105-I109 VanDerWaalsContact O-CG1 3.23Å; R105-I109 WeakPolarHBondContact O-CG1 3.42Å; R105-I109 PolarHBondContact O-N 3.37Å |
| 106 | E | 93.7 | Very high | 92.8 | Very high | 101 Ų | 101 | 103.4 Ų | 103.4 | 47% | 0.472 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 178.9 | -74.9 | 178.6 | -157.7 | 0 | 0 | 111.9 | K102 A103 I109 R110 | K102-E106 WeakPolarHBondContact O-CG 3.29Å; K102-E106 PolarHBondContact O-N 3.34Å; A103-E106 PolarHBondContact O-N 2.98Å; E106-I109 PolarHBondContact O-N 3.17Å; E106-R110 WeakPolarHBondContact O-CB 3.47Å; E106-R110 VanDerWaalsContact O-CG 3.27Å; E106-R110 WeakPolarHBondContact O-CG 3.35Å; E106-R110 PolarHBondContact O-N 3.06Å; E106-R110 IonicContact OE2-NH2 3.88Å |
| 107 | Q | 93.3 | Very high | 92.8 | Very high | 129 Ų | 129 | 107.3 Ų | 107.3 | 60% | 0.603 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.2 | -46.2 | 172.9 | -74.1 | 174.4 | -11 | 0 | 0 | 111.3 | A103 I109 R110 A111 | A103-Q107 WeakPolarHBondContact O-CB 3.42Å; A103-Q107 VanDerWaalsContact O-CG 3.3Å; A103-Q107 WeakPolarHBondContact O-CG 3.15Å; A103-Q107 PolarHBondContact O-N 3.47Å; Q107-I109 VanDerWaalsContact C-N 3.34Å; Q107-I109 PolarHBondContact O-N 3.48Å; Q107-R110 PolarHBondContact O-N 2.79Å; Q107-A111 WeakPolarHBondContact O-CB 3.32Å; Q107-A111 PolarHBondContact O-N 3.05Å |
| 108 | A | 94.3 | Very high | 92.5 | Very high | 61 Ų | 61 | 103.2 Ų | 103.2 | 50% | 0.504 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q104 R105 A112 | Q104-A108 WeakPolarHBondContact O-CB 3.43Å; Q104-A108 PolarHBondContact O-N 2.86Å; R105-A108 PolarHBondContact O-N 2.85Å; A108-A112 VanDerWaalsContact O-CB 3.28Å; A108-A112 WeakPolarHBondContact O-CB 3.07Å; A108-A112 PolarHBondContact O-N 3.48Å |
| 109 | I | 94.5 | Very high | 92.4 | Very high | 72 Ų | 72 | 106.3 Ų | 106.3 | 37% | 0.369 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 175.9 | -70.5 | 165.3 | 0 | 0 | 0 | 111 | R105 E106 Q107 A112 K113 | R105-I109 HydrophobicContact CG-CD1 3.92Å; R105-I109 VanDerWaalsContact O-CG1 3.23Å; R105-I109 WeakPolarHBondContact O-CG1 3.42Å; R105-I109 PolarHBondContact O-N 3.37Å; E106-I109 PolarHBondContact O-N 3.17Å; Q107-I109 VanDerWaalsContact C-N 3.34Å; Q107-I109 PolarHBondContact O-N 3.48Å; I109-A112 PolarHBondContact O-N 3.35Å; I109-K113 HydrophobicContact CG2-CD 4.13Å; I109-K113 HydrophobicContact CG2-CG 4.49Å; I109-K113 WeakPolarHBondContact O-CB 3.2Å; I109-K113 VanDerWaalsContact O-CG 3.31Å; I109-K113 WeakPolarHBondContact O-CG 3.24Å; I109-K113 PolarHBondContact O-N 3.17Å |
| 110 | R | 93.6 | Very high | 92 | Very high | 155 Ų | 155 | 104.4 Ų | 104.4 | 59% | 0.585 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.4 | -50.5 | 177.2 | -72.1 | 174.1 | -168.2 | -165.3 | 6.2 | 110.7 | E106 Q107 A112 K113 E114 | E106-R110 WeakPolarHBondContact O-CB 3.47Å; E106-R110 VanDerWaalsContact O-CG 3.27Å; E106-R110 WeakPolarHBondContact O-CG 3.35Å; E106-R110 PolarHBondContact O-N 3.06Å; E106-R110 IonicContact OE2-NH2 3.88Å; Q107-R110 PolarHBondContact O-N 2.79Å; R110-A112 VanDerWaalsContact C-N 3.31Å; R110-A112 PolarHBondContact O-N 3.23Å; R110-K113 WeakPolarHBondContact O-CB 3.14Å; R110-K113 PolarHBondContact O-N 3.08Å; R110-K113 VanDerWaalsContact O-N 3.08Å; R110-E114 WeakPolarHBondContact O-CG 3.4Å; R110-E114 PolarHBondContact O-N 3.06Å |
| 111 | A | 93.9 | Very high | 91.5 | Very high | 53 Ų | 53 | 104.5 Ų | 104.5 | 44% | 0.438 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.4 | -42.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q107 E114 A115 | Q107-A111 WeakPolarHBondContact O-CB 3.32Å; Q107-A111 PolarHBondContact O-N 3.05Å; A111-E114 PolarHBondContact O-N 3.08Å; A111-A115 VanDerWaalsContact O-CB 3.29Å; A111-A115 WeakPolarHBondContact O-CB 3.32Å; A111-A115 PolarHBondContact O-N 3.06Å |
| 112 | A | 94.3 | Very high | 90.8 | Very high | 60 Ų | 60 | 103.1 Ų | 103.1 | 50% | 0.496 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A108 I109 R110 K116 | A108-A112 VanDerWaalsContact O-CB 3.28Å; A108-A112 WeakPolarHBondContact O-CB 3.07Å; A108-A112 PolarHBondContact O-N 3.48Å; I109-A112 PolarHBondContact O-N 3.35Å; R110-A112 VanDerWaalsContact C-N 3.31Å; R110-A112 PolarHBondContact O-N 3.23Å; A112-K116 WeakPolarHBondContact O-CB 3.3Å; A112-K116 PolarHBondContact O-N 3.1Å |
| 113 | K | 94.8 | Very high | 90 | Very high | 133 Ų | 133 | 105.1 Ų | 105.1 | 58% | 0.578 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.6 | -41.4 | 175.8 | -77.3 | 177.3 | 179.5 | -178.4 | 0 | 111.6 | I109 R110 K116 K117 | I109-K113 HydrophobicContact CG2-CD 4.13Å; I109-K113 HydrophobicContact CG2-CG 4.49Å; I109-K113 WeakPolarHBondContact O-CB 3.2Å; I109-K113 VanDerWaalsContact O-CG 3.31Å; I109-K113 WeakPolarHBondContact O-CG 3.24Å; I109-K113 PolarHBondContact O-N 3.17Å; R110-K113 WeakPolarHBondContact O-CB 3.14Å; R110-K113 PolarHBondContact O-N 3.08Å; R110-K113 VanDerWaalsContact O-N 3.08Å; K113-K116 PolarHBondContact O-N 3.09Å; K113-K117 WeakPolarHBondContact O-CG 3.37Å; K113-K117 PolarHBondContact O-N 3.5Å |
| 114 | E | 92.1 | Very high | 88.4 | Confident | 129 Ų | 129 | 111.1 Ų | 111.1 | 60% | 0.603 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.5 | -46.3 | 176.3 | -73.6 | 169.1 | -172.2 | 0 | 0 | 111.5 | R110 A111 K116 K117 A118 | R110-E114 WeakPolarHBondContact O-CG 3.4Å; R110-E114 PolarHBondContact O-N 3.06Å; A111-E114 PolarHBondContact O-N 3.08Å; E114-K116 VanDerWaalsContact C-N 3.25Å; E114-K116 PolarHBondContact O-N 2.75Å; E114-K117 PolarHBondContact O-N 3.01Å; E114-K117 VanDerWaalsContact O-N 3.1Å; E114-A118 WeakPolarHBondContact O-CB 3.44Å; E114-A118 PolarHBondContact O-N 2.65Å |
| 115 | A | 91.7 | Very high | 86.4 | Confident | 50 Ų | 50 | 112.3 Ų | 112.3 | 41% | 0.413 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -58.3 | -38.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A111 K119 | A111-A115 VanDerWaalsContact O-CB 3.29Å; A111-A115 WeakPolarHBondContact O-CB 3.32Å; A111-A115 PolarHBondContact O-N 3.06Å; A115-K119 WeakPolarHBondContact O-CB 3.26Å; A115-K119 VanDerWaalsContact O-CG 3.27Å; A115-K119 WeakPolarHBondContact O-CG 3.41Å; A115-K119 PolarHBondContact O-N 3.21Å |
| 116 | K | 92.5 | Very high | 84.4 | Confident | 135 Ų | 135 | 108.8 Ų | 108.8 | 59% | 0.587 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.8 | -43.4 | 174.5 | -172.7 | 179.3 | 179.3 | -178.7 | 0 | 111.9 | A112 K113 E114 K119 Q120 | A112-K116 WeakPolarHBondContact O-CB 3.3Å; A112-K116 PolarHBondContact O-N 3.1Å; K113-K116 PolarHBondContact O-N 3.09Å; E114-K116 VanDerWaalsContact C-N 3.25Å; E114-K116 PolarHBondContact O-N 2.75Å; K116-K119 PolarHBondContact O-N 2.82Å; K116-Q120 WeakPolarHBondContact O-CB 3.3Å; K116-Q120 VanDerWaalsContact O-CG 3.31Å; K116-Q120 WeakPolarHBondContact O-CG 3.41Å; K116-Q120 PolarHBondContact O-N 3.29Å |
| 117 | K | 90.8 | Very high | 82 | Confident | 147 Ų | 147 | 108.5 Ų | 108.5 | 64% | 0.639 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.8 | -44 | 176.2 | -76.1 | 178.9 | 178.5 | -174.3 | 0 | 111.6 | K113 E114 Q120 A121 | K113-K117 WeakPolarHBondContact O-CG 3.37Å; K113-K117 PolarHBondContact O-N 3.5Å; E114-K117 PolarHBondContact O-N 3.01Å; E114-K117 VanDerWaalsContact O-N 3.1Å; K117-Q120 CarbonylContact O-C 3.59Å; K117-Q120 PolarHBondContact O-N 2.87Å; K117-Q120 VanDerWaalsContact O-N 3.13Å; K117-A121 WeakPolarHBondContact O-CB 3.45Å; K117-A121 PolarHBondContact O-N 3.12Å |
| 118 | A | 86.8 | Confident | 79.7 | Confident | 62 Ų | 62 | 108.4 Ų | 108.4 | 51% | 0.512 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -61.2 | -44.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E114 Q120 A121 A122 | E114-A118 WeakPolarHBondContact O-CB 3.44Å; E114-A118 PolarHBondContact O-N 2.65Å; A118-Q120 VanDerWaalsContact C-N 3.29Å; A118-Q120 PolarHBondContact O-N 3.4Å; A118-A121 PolarHBondContact O-N 2.74Å; A118-A122 WeakPolarHBondContact O-CB 3.36Å; A118-A122 PolarHBondContact O-N 2.82Å |
| 119 | K | 88.4 | Confident | 77.4 | Confident | 152 Ų | 152 | 111.2 Ų | 111.2 | 66% | 0.661 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.5 | -31.6 | 173.3 | -74.5 | 179.6 | -179.8 | -173.6 | 0 | 113.2 | A115 K116 K123 | A115-K119 WeakPolarHBondContact O-CB 3.26Å; A115-K119 VanDerWaalsContact O-CG 3.27Å; A115-K119 WeakPolarHBondContact O-CG 3.41Å; A115-K119 PolarHBondContact O-N 3.21Å; K116-K119 PolarHBondContact O-N 2.82Å; K119-K123 WeakPolarHBondContact O-CB 3.24Å; K119-K123 VanDerWaalsContact O-CG 3.25Å; K119-K123 WeakPolarHBondContact O-CG 3.36Å; K119-K123 PolarHBondContact O-N 3.48Å |
| 120 | Q | 84 | Confident | 74.6 | Confident | 106 Ų | 106 | 112.7 Ų | 112.7 | 50% | 0.495 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -76.6 | -37 | 175.3 | -76 | 177.9 | -12.9 | 0 | 0 | 112.3 | K116 K117 A118 K123 K124 | K116-Q120 WeakPolarHBondContact O-CB 3.3Å; K116-Q120 VanDerWaalsContact O-CG 3.31Å; K116-Q120 WeakPolarHBondContact O-CG 3.41Å; K116-Q120 PolarHBondContact O-N 3.29Å; K117-Q120 CarbonylContact O-C 3.59Å; K117-Q120 PolarHBondContact O-N 2.87Å; K117-Q120 VanDerWaalsContact O-N 3.13Å; A118-Q120 VanDerWaalsContact C-N 3.29Å; A118-Q120 PolarHBondContact O-N 3.4Å; Q120-K123 PolarHBondContact O-N 2.91Å; Q120-K124 PolarHBondContact O-N 3.11Å |
| 121 | A | 80.5 | Confident | 71.9 | Confident | 69 Ų | 69 | 114.6 Ų | 114.6 | 57% | 0.57 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -65.5 | -42.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K117 A118 K123 K124 | K117-A121 WeakPolarHBondContact O-CB 3.45Å; K117-A121 PolarHBondContact O-N 3.12Å; A118-A121 PolarHBondContact O-N 2.74Å; A121-K123 PolarHBondContact O-N 3.34Å; A121-K124 PolarHBondContact O-N 2.87Å |
| 122 | A | 76.3 | Confident | 69 | Low | 91 Ų | 91 | 117.8 Ų | 117.8 | 75% | 0.752 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -17.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A118 | A118-A122 WeakPolarHBondContact O-CB 3.36Å; A118-A122 PolarHBondContact O-N 2.82Å |
| 123 | K | 75.6 | Confident | 66 | Low | 176 Ų | 176 | 120 Ų | 120 | 77% | 0.765 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -4.1 | 176.9 | -78 | -176.9 | 178.8 | -164.5 | 0 | 114.1 | K119 Q120 A121 P125 | K119-K123 WeakPolarHBondContact O-CB 3.24Å; K119-K123 VanDerWaalsContact O-CG 3.25Å; K119-K123 WeakPolarHBondContact O-CG 3.36Å; K119-K123 PolarHBondContact O-N 3.48Å; Q120-K123 PolarHBondContact O-N 2.91Å; A121-K123 PolarHBondContact O-N 3.34Å; K123-P125 WeakPolarHBondContact O-CD 3.41Å |
| 124 | K | 60.3 | Low | 63.2 | Low | 172 Ų | 172 | 117.9 Ų | 117.9 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | trans | -91.4 | 112 | 174 | -79.4 | -172.2 | 175.8 | -171.6 | 0 | 109.6 | Q120 A121 | Q120-K124 PolarHBondContact O-N 3.11Å; A121-K124 PolarHBondContact O-N 2.87Å | ||
| 125 | P | 50.3 | Low | 60.4 | Low | 123 Ų | 123 | 121 Ų | 121 | 80% | 0.799 | 72% | 0.717 | S | S | * | * | trans | -73.3 | 144.5 | 167.7 | 31.2 | -31.9 | 0 | 0 | 0 | 110 | K123 | K123-P125 WeakPolarHBondContact O-CD 3.41Š| ||
| 126 | A | 51.2 | Low | 57.6 | Low | 109 Ų | 109 | 125.2 Ų | 125.2 | 90% | 0.901 | 74% | 0.737 | S | S | * | * | trans | -69.6 | 125.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 127 | A | 43.1 | Very low | 55 | Low | 94 Ų | 94 | 122.6 Ų | 122.6 | 78% | 0.777 | 74% | 0.741 | S | S | * | * | trans | -147.7 | 141.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 128 | P | 44.9 | Very low | 52.6 | Low | 128 Ų | 128 | 123.8 Ų | 123.8 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | trans | -89.3 | 170.8 | -160.3 | 36 | -33.1 | 0 | 0 | 0 | 114 | ||||
| 129 | S | 45.3 | Very low | 50.3 | Low | 119 Ų | 119 | 129.4 Ų | 129.4 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -52.6 | 138.5 | -178.3 | 52.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 130 | A | 35.7 | Very low | 48.5 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -151.5 | 134.1 | 147.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 131 | K | 37.8 | Very low | 46.6 | Very low | 194 Ų | 194 | 132.2 Ų | 132.2 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -60.8 | 164 | 170.8 | -57.6 | 165.5 | 177.2 | 173 | 0 | 108.8 | ||||
| 132 | T | 31.8 | Very low | 44.9 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | cis | 178.1 | 144.9 | 48.4 | -12.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 133 | S | 33.2 | Very low | 43.7 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | 45.9 | 126.7 | 138.5 | 68 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 134 | A | 34.6 | Very low | 42.6 | Very low | 88 Ų | 88 | 137.6 Ų | 137.6 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | 119.9 | 125.4 | 116.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 135 | K | 33.6 | Very low | 42.1 | Very low | 195 Ų | 195 | 135.4 Ų | 135.4 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | 63.7 | 119.5 | 139.5 | -70.8 | -178.5 | 174.4 | 180 | 0 | 119.1 | ||||
| 136 | T | 32.8 | Very low | 42 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | 165.4 | 143.4 | 88.4 | -52.5 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 137 | A | 39.2 | Very low | 42 | Very low | 80 Ų | 80 | 143 Ų | 143 | 66% | 0.661 | 81% | 0.811 | S | S | * | * | trans | -81.9 | 171.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 138 | Q | 38.8 | Very low | 42.5 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | trans | 103.7 | 106.1 | 149.7 | -58.4 | -168.7 | 15.5 | 0 | 0 | 118.7 | ||||
| 139 | K | 38.4 | Very low | 42.8 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 79% | 0.787 | 81% | 0.81 | S | S | * | * | 163.8 | 145.5 | 91 | -108.9 | 169.2 | -172.9 | -176.9 | 0 | 110.8 | |||||
| 140 | P | 52 | Low | 43.5 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -86.4 | 142.4 | -175.1 | 34.6 | -31.4 | 0 | 0 | 0 | 111.6 | ||||
| 141 | K | 42.4 | Very low | 44.4 | Very low | 198 Ų | 198 | 143.3 Ų | 143.3 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -128.7 | 100.4 | 167.7 | -79.1 | -172.7 | 177.8 | 177.4 | 0 | 110.6 | ||||
| 142 | I | 46.5 | Very low | 45.4 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 80% | 0.795 | 81% | 0.805 | S | S | * | * | trans | 46.4 | 109.7 | 130 | -59.2 | 167.1 | 0 | 0 | 0 | 116.3 | ||||
| 143 | A | 49.7 | Very low | 46.6 | Very low | 99 Ų | 99 | 147.4 Ų | 147.4 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -58.4 | 131.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 144 | K | 53.3 | Low | 47.2 | Very low | 194 Ų | 194 | 145.9 Ų | 145.9 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -101.1 | 130.6 | 159.2 | -75.8 | -178.1 | 178.2 | 179.4 | 0 | 108.4 | M146 | K144-M146 PolarHBondContact O-N 3.01Š| ||
| 145 | P | 50 | Low | 47.9 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -73.6 | 115.1 | 178.1 | 29.1 | -31.8 | 0 | 0 | 0 | 109.9 | K147 | P145-K147 PolarHBondContact O-N 3.38Š| ||
| 146 | M | 47 | Very low | 48.5 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | trans | -79.5 | 114.5 | 168.9 | -109.2 | -177.8 | 168.8 | 0 | 0 | 109 | K144 V148 | K144-M146 PolarHBondContact O-N 3.01Å; M146-V148 PolarHBondContact O-N 3.11Å | ||
| 147 | K | 52.4 | Low | 49.2 | Very low | 207 Ų | 207 | 154.6 Ų | 154.6 | 90% | 0.9 | 84% | 0.835 | S | S | * | * | trans | -56.5 | 114.1 | 169 | -70.5 | 177.7 | 175.7 | -178.9 | 0 | 109 | P145 S149 | P145-K147 PolarHBondContact O-N 3.38Å; K147-S149 PolarHBondContact O-N 3.01Å | ||
| 148 | V | 53.3 | Low | 49.7 | Very low | 141 Ų | 141 | 158.4 Ų | 158.4 | 86% | 0.855 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 116.3 | 166.3 | -176.7 | 0 | 0 | 0 | 0 | 107.4 | M146 | M146-V148 PolarHBondContact O-N 3.11Š|
| 149 | S | 51.8 | Low | 50.3 | Low | 105 Ų | 105 | 157.7 Ų | 157.7 | 73% | 0.734 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -56 | 137.6 | 172.6 | 51 | 0 | 0 | 0 | 0 | 111.8 | K147 | K147-S149 PolarHBondContact O-N 3.01Š|
| 150 | A | 59.5 | Low | 50.9 | Low | 86 Ų | 86 | 156.4 Ų | 156.4 | 71% | 0.711 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 149.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R152 | A150-R152 PolarHBondContact O-N 3.17Š|
| 151 | P | 55.7 | Low | 50.9 | Low | 119 Ų | 119 | 158.6 Ų | 158.6 | 77% | 0.773 | 85% | 0.854 | S | S | * | * | trans | -69.7 | 115.6 | 175.4 | 28.3 | -31.9 | 0 | 0 | 0 | 110.1 | V153 | P151-V153 PolarHBondContact O-N 2.95Š| ||
| 152 | R | 56.9 | Low | 51.4 | Low | 253 Ų | 253 | 156.1 Ų | 156.1 | 96% | 0.955 | 85% | 0.854 | S | S | * | * | trans | -71.9 | 98.6 | 166.3 | -96 | -176.9 | 169 | -177.4 | -2.5 | 108.8 | A150 G154 | A150-R152 PolarHBondContact O-N 3.17Å; R152-G154 PolarHBondContact O-N 3.11Å | ||
| 153 | V | 56.9 | Low | 51.7 | Low | 147 Ų | 147 | 156.2 Ų | 156.2 | 89% | 0.891 | 86% | 0.858 | S | S | * | * | trans | -67.1 | 107 | 157.4 | 179 | 0 | 0 | 0 | 0 | 107.3 | P151 | P151-V153 PolarHBondContact O-N 2.95Š| ||
| 154 | G | 46.5 | Very low | 51.9 | Low | 75 Ų | 75 | 160.3 Ų | 160.3 | 77% | 0.773 | 86% | 0.86 | S | S | * | * | trans | -141.6 | 132.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | R152 | R152-G154 PolarHBondContact O-N 3.11Š| ||
| 155 | G | 50.2 | Low | 51.7 | Low | 72 Ų | 72 | 157.7 Ų | 157.7 | 74% | 0.742 | 86% | 0.862 | S | S | * | * | cis | 179.7 | 153.2 | 4.9 | 0 | 0 | 0 | 0 | 0 | 104.9 | R157 | G155-R157 PolarHBondContact O-N 3.49Š| ||
| 156 | K | 46.2 | Very low | 51.9 | Low | 211 Ų | 211 | 160.3 Ų | 160.3 | 92% | 0.917 | 87% | 0.865 | S | S | * | * | trans | -48.3 | 130.9 | 176.4 | -71.7 | 176.4 | 174.6 | -179.6 | 0 | 111.5 | ||||
| 157 | R | 46.4 | Very low | 52.3 | Low | 322 Ų | 322 | 158 Ų | 158 | 100% | 1.215 | 86% | 0.861 | S | S | * | * | -156.4 | 0 | 129.4 | -102.9 | -179.8 | 169.7 | -169.1 | -4.8 | 109.1 | G155 | G155-R157 PolarHBondContact O-N 3.49Š|
Retrieved 157 of 157 residues in 114.2 ms
(Link to these results)