| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 51.6 | Low | 79.2 | Confident | 192 Ų | 192 | 100.8 Ų | 100.8 | 95% | 0.946 | 51% | 0.513 | S | S | * | . | 0 | 103.2 | 0 | -62.2 | 179.6 | -163.4 | 0 | 0 | 107.2 | L21 | M1-L21 HydrophobicContact CE-CD1 3.88Å; M1-L21 HydrophobicContact SD-CD1 3.85Å; M1-L21 HydrophobicContact SD-CD2 4.24Å | |||
| 2 | S | 51.7 | Low | 80.1 | Confident | 132 Ų | 132 | 94.8 Ų | 94.8 | 92% | 0.923 | 48% | 0.483 | S | S | * | . | trans | -98.4 | 29.3 | -174.2 | 55.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 3 | G | 62.1 | Low | 80.5 | Confident | 42 Ų | 42 | 91.3 Ų | 91.3 | 43% | 0.433 | 47% | 0.469 | S | S | . | . | trans | -99.6 | 137.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | W5 | G3-W5 VanDerWaalsContact O-CD1 3.25Å; G3-W5 PolarHBondContact O-N 2.72Å | ||
| 4 | Y | 73.9 | Confident | 80.7 | Confident | 235 Ų | 235 | 94.6 Ų | 94.6 | 92% | 0.922 | 48% | 0.478 | S | S | * | . | trans | -75.4 | 114.8 | 166.4 | -76.3 | -89.9 | 0 | 0 | 0 | 108 | ||||
| 5 | W | 82.9 | Confident | 81 | Confident | 179 Ų | 179 | 95.4 Ų | 95.4 | 68% | 0.678 | 48% | 0.48 | S | S | * | . | trans | -108.5 | 122.6 | 173.5 | -57.4 | 93.8 | 0 | 0 | 0 | 108.2 | G3 L28 | G3-W5 VanDerWaalsContact O-CD1 3.25Å; G3-W5 PolarHBondContact O-N 2.72Å; W5-L28 HydrophobicContact CB-CD1 4.04Å | ||
| 6 | D | 86 | Confident | 81 | Confident | 129 Ų | 129 | 91.7 Ų | 91.7 | 69% | 0.69 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -71.1 | -36.5 | 179.8 | -56.6 | -64.5 | 0 | 0 | 0 | 112.1 | L331 | D6-L331 HydrophobicContact CB-CD2 4.08Š|
| 7 | L | 91.4 | Very high | 81.2 | Confident | 27 Ų | 27 | 90.2 Ų | 90.2 | 14% | 0.141 | 46% | 0.463 | C | S | . | . | trans | -156.2 | 137.5 | -174.7 | -174.7 | 66.8 | 0 | 0 | 0 | 111.4 | I31 I114 I327 Y330 | L7-I31 HydrophobicContact CD1-CG1 4.25Å; L7-I31 HydrophobicContact CD2-CD1 3.78Å; L7-I31 HydrophobicContact CD2-CG1 4.29Å; L7-I114 HydrophobicContact CD1-CD1 3.42Å; L7-I114 VanDerWaalsContact CD1-CD1 3.42Å; L7-I114 HydrophobicContact CD1-CG1 4.29Å; L7-I114 HydrophobicContact CD2-CD1 4.42Å; L7-I327 HydrophobicContact CD2-CG1 4.33Å; L7-I327 HydrophobicContact CD2-CG2 3.89Å; L7-Y330 HydrophobicContact CD1-CD1 4.28Å; L7-Y330 HydrophobicContact CD1-CE1 4.15Å | ||
| 8 | L | 92.5 | Very high | 81.6 | Confident | 41 Ų | 41 | 85.6 Ų | 85.6 | 22% | 0.215 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.1 | 172.1 | -173 | 68.6 | 0 | 0 | 0 | 110.9 | V10 L21 T22 L28 S29 W30 I31 | L8-V10 HydrophobicContact CB-CG2 4.34Å; L8-V10 HydrophobicContact CD2-CG2 3.28Å; L8-V10 HydrophobicContact CG-CG2 3.48Å; L8-V10 VanDerWaalsContact CG-CG2 3.48Å; L8-L21 HydrophobicContact CD2-CD2 4.04Å; L8-T22 HydrophobicContact CD2-CG2 4.09Å; L8-L28 HydrophobicContact CB-CD1 4.45Å; L8-L28 HydrophobicContact CB-CD2 4.26Å; L8-L28 HydrophobicContact CB-CG 4.46Å; L8-L28 HydrophobicContact CD2-CD2 4.02Å; L8-S29 PolarHBondContact N-O 3.06Å; L8-W30 HydrophobicContact CB-CB 4Å; L8-W30 CarbonylContact O-C 3.5Å; L8-W30 WeakPolarHBondContact O-CA 3.35Å; L8-W30 WeakPolarHBondContact O-CB 3.45Å; L8-I31 PolarHBondContact O-N 3.06Å |
| 9 | L | 93 | Very high | 81.9 | Confident | 97 Ų | 97 | 81.3 Ų | 81.3 | 51% | 0.508 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 119.1 | 166.5 | -70 | 85.1 | 0 | 0 | 0 | 108.2 | I31 I327 | L9-I31 HydrophobicContact CG-CB 4.49Å; L9-I31 HydrophobicContact CG-CD1 4.48Å; L9-I327 HydrophobicContact CD2-CD1 4.13Å |
| 10 | V | 93.7 | Very high | 82 | Confident | 3 Ų | 3 | 80 Ų | 80 | 2% | 0.018 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120.5 | -173.2 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | L8 N12 V19 T22 W30 I31 Y33 F109 | L8-V10 HydrophobicContact CB-CG2 4.34Å; L8-V10 HydrophobicContact CD2-CG2 3.28Å; L8-V10 HydrophobicContact CG-CG2 3.48Å; L8-V10 VanDerWaalsContact CG-CG2 3.48Å; V10-N12 PolarHBondContact O-N 3.38Å; V10-V19 HydrophobicContact CG1-CG2 4.07Å; V10-T22 HydrophobicContact CG2-CG2 4.1Å; V10-W30 HydrophobicContact CG2-CB 4.3Å; V10-I31 PolarHBondContact N-O 3.34Å; V10-Y33 PolarHBondContact O-N 2.87Å; V10-F109 HydrophobicContact CB-CE2 3.74Å; V10-F109 HydrophobicContact CB-CZ 3.83Å; V10-F109 HydrophobicContact CG1-CE2 3.63Å; V10-F109 HydrophobicContact CG1-CZ 3.63Å; V10-F109 HydrophobicContact CG2-CE2 4.13Å |
| 11 | D | 92.7 | Very high | 82.2 | Confident | 32 Ų | 32 | 78.6 Ų | 78.6 | 17% | 0.171 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 119.2 | 167.2 | -175.2 | -58 | 0 | 0 | 0 | 109.9 | V13 F14 H15 Y33 T35 | D11-V13 WeakPolarHBondContact OD1-CA 3.3Å; D11-V13 PolarHBondContact OD1-N 3.23Å; D11-F14 PolarHBondContact OD1-N 2.6Å; D11-H15 HydrophobicContact CB-CB 3.88Å; D11-Y33 CarbonylContact C-O 3.6Å; D11-Y33 VanDerWaalsContact CA-O 3.27Å; D11-Y33 WeakPolarHBondContact CA-O 3.44Å; D11-T35 WeakPolarHBondContact OD2-CB 3.36Å; D11-T35 WeakPolarHBondContact OD2-CG2 3.44Å; D11-T35 PolarHBondContact OD2-OG1 2.89Å |
| 12 | N | 89.7 | Confident | 83.8 | Confident | 28 Ų | 28 | 69.4 Ų | 69.4 | 15% | 0.15 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -1.4 | -174.7 | 74.1 | 1.6 | 0 | 0 | 0 | 115.2 | V10 D32 Y33 S34 F109 | V10-N12 PolarHBondContact O-N 3.38Å; N12-D32 WeakPolarHBondContact CB-OD1 3.19Å; N12-D32 VanDerWaalsContact CG-OD1 3.22Å; N12-D32 PolarHBondContact ND2-OD1 3.45Å; N12-Y33 PolarHBondContact N-O 2.77Å; N12-Y33 PolarHBondContact OD1-O 2.91Å; N12-S34 WeakPolarHBondContact OD1-CA 3.43Å; N12-S34 WeakPolarHBondContact OD1-CB 3.22Å; N12-F109 HydrophobicContact CB-CE1 3.7Å; N12-F109 HydrophobicContact CB-CZ 4.16Å |
| 13 | V | 85.4 | Confident | 85.3 | Confident | 50 Ų | 50 | 64.3 Ų | 64.3 | 30% | 0.303 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -51.3 | -176.8 | -172 | 0 | 0 | 0 | 0 | 110.9 | D11 T36 F39 | D11-V13 WeakPolarHBondContact OD1-CA 3.3Å; D11-V13 PolarHBondContact OD1-N 3.23Å; V13-T36 HydrophobicContact CG2-CG2 4.09Å; V13-F39 HydrophobicContact CG1-CE2 4.49Å; V13-F39 HydrophobicContact CG2-CE2 3.81Å |
| 14 | F | 84 | Confident | 86.2 | Confident | 137 Ų | 137 | 65.7 Ų | 65.7 | 60% | 0.601 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | -8.5 | -167 | -59.2 | -68.5 | 0 | 0 | 0 | 113.8 | D11 P16 T35 | D11-F14 PolarHBondContact OD1-N 2.6Å; F14-P16 WeakPolarHBondContact O-CD 3.26Å; F14-T35 WeakPolarHBondContact CD2-OG1 3.42Å |
| 15 | H | 84.4 | Confident | 86.4 | Confident | 107 Ų | 107 | 55.9 Ų | 55.9 | 50% | 0.495 | 29% | 0.291 | S | S | . | . | trans | -122.6 | 69.4 | -176.9 | -158.7 | -77 | 0 | 0 | 0 | 113.9 | D11 C17 G18 | D11-H15 HydrophobicContact CB-CB 3.88Å; H15-C17 PolarHBondContact O-N 3.08Å; H15-C17 VanDerWaalsContact O-N 3.14Å; H15-G18 PolarHBondContact ND1-N 3.22Å; H15-G18 PolarHBondContact O-N 3.09Å | ||
| 16 | P | 81 | Confident | 86 | Confident | 36 Ų | 36 | 56.8 Ų | 56.8 | 23% | 0.234 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.8 | -21.8 | -170.9 | 31.4 | -39.2 | 0 | 0 | 0 | 114.2 | F14 G18 V19 Y20 L92 T96 | F14-P16 WeakPolarHBondContact O-CD 3.26Å; P16-G18 PolarHBondContact O-N 2.94Å; P16-V19 WeakPolarHBondContact O-CB 3.49Å; P16-V19 PolarHBondContact O-N 3.36Å; P16-Y20 PolarHBondContact O-N 2.91Å; P16-L92 HydrophobicContact CB-CD1 3.49Å; P16-L92 VanDerWaalsContact CB-CD1 3.49Å; P16-L92 HydrophobicContact CB-CD2 4.06Å; P16-L92 HydrophobicContact CB-CG 3.84Å; P16-L92 HydrophobicContact CG-CD1 4.22Å; P16-T96 HydrophobicContact CB-CG2 3.45Å; P16-T96 VanDerWaalsContact CB-CG2 3.45Å; P16-T96 HydrophobicContact CG-CG2 3.66Å |
| 17 | C | 85.1 | Confident | 85.7 | Confident | 66 Ų | 66 | 58.5 Ų | 58.5 | 45% | 0.446 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.8 | -31.3 | 174.5 | -56.4 | 0 | 0 | 0 | 0 | 112.5 | H15 Y20 L21 | H15-C17 PolarHBondContact O-N 3.08Å; H15-C17 VanDerWaalsContact O-N 3.14Å; C17-Y20 PolarHBondContact O-N 3.28Å; C17-L21 PolarHBondContact O-N 3.23Å |
| 18 | G | 87.3 | Confident | 85.5 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 7% | 0.072 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.4 | -41.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | H15 P16 Y20 L21 T22 | H15-G18 PolarHBondContact ND1-N 3.22Å; H15-G18 PolarHBondContact O-N 3.09Å; P16-G18 PolarHBondContact O-N 2.94Å; G18-Y20 VanDerWaalsContact C-N 3.28Å; G18-Y20 PolarHBondContact O-N 3.28Å; G18-L21 PolarHBondContact O-N 3.02Å; G18-T22 WeakPolarHBondContact O-CG2 3.39Å; G18-T22 PolarHBondContact O-N 2.77Å |
| 19 | V | 87.5 | Confident | 85.5 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.03 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 173.3 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | V10 P16 T22 S23 M104 I106 F109 | V10-V19 HydrophobicContact CG1-CG2 4.07Å; P16-V19 WeakPolarHBondContact O-CB 3.49Å; P16-V19 PolarHBondContact O-N 3.36Å; V19-T22 PolarHBondContact O-OG1 3.26Å; V19-S23 PolarHBondContact O-N 3.48Å; V19-S23 PolarHBondContact O-OG 3.02Å; V19-M104 HydrophobicContact CG1-CG 4.48Å; V19-M104 HydrophobicContact CG1-SD 4.12Å; V19-I106 HydrophobicContact CG1-CG1 4.3Å; V19-F109 HydrophobicContact CB-CD2 4.46Å; V19-F109 HydrophobicContact CB-CG 4.41Å; V19-F109 HydrophobicContact CG1-CB 3.89Å; V19-F109 HydrophobicContact CG1-CD1 4.05Å; V19-F109 HydrophobicContact CG1-CD2 4.24Å; V19-F109 HydrophobicContact CG1-CG 3.78Å; V19-F109 HydrophobicContact CG2-CD1 4.1Å; V19-F109 HydrophobicContact CG2-CD2 4.39Å; V19-F109 HydrophobicContact CG2-CE1 3.96Å; V19-F109 HydrophobicContact CG2-CE2 4.22Å; V19-F109 HydrophobicContact CG2-CG 4.32Å; V19-F109 HydrophobicContact CG2-CZ 4.01Å |
| 20 | Y | 84.5 | Confident | 85.6 | Confident | 54 Ų | 54 | 53.7 Ų | 53.7 | 21% | 0.212 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.6 | -48.2 | 175.4 | 177.4 | -121.5 | 0 | 0 | 0 | 112.5 | P16 C17 G18 T22 S23 C24 E97 V102 M104 | P16-Y20 PolarHBondContact O-N 2.91Å; C17-Y20 PolarHBondContact O-N 3.28Å; G18-Y20 VanDerWaalsContact C-N 3.28Å; G18-Y20 PolarHBondContact O-N 3.28Å; Y20-T22 VanDerWaalsContact C-N 3.28Å; Y20-T22 PolarHBondContact O-N 3.31Å; Y20-S23 WeakPolarHBondContact O-CA 3.25Å; Y20-S23 VanDerWaalsContact O-CB 3.3Å; Y20-S23 WeakPolarHBondContact O-CB 3.47Å; Y20-S23 PolarHBondContact O-N 3.43Å; Y20-C24 WeakPolarHBondContact CE2-SG 3.25Å; Y20-C24 PolarHBondContact O-N 2.93Å; Y20-E97 HydrophobicContact CD1-CG 4.18Å; Y20-E97 WeakPolarHBondContact CD1-OE1 3.37Å; Y20-E97 VanDerWaalsContact CE1-CD 3.46Å; Y20-E97 HydrophobicContact CE1-CG 3.92Å; Y20-E97 WeakPolarHBondContact CE1-OE1 3.33Å; Y20-V102 HydrophobicContact CD2-CG1 3.8Å; Y20-V102 HydrophobicContact CE2-CB 4.48Å; Y20-V102 HydrophobicContact CE2-CG1 3.06Å; Y20-M104 HydrophobicContact CD2-CB 4.15Å; Y20-M104 HydrophobicContact CD2-CG 4.41Å; Y20-M104 HydrophobicContact CD2-SD 4.49Å |
| 21 | L | 85.2 | Confident | 85.6 | Confident | 51 Ų | 51 | 53.5 Ų | 53.5 | 27% | 0.267 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -55.3 | -41.3 | -179.4 | -176.4 | 61.6 | 0 | 0 | 0 | 112.7 | M1 L8 C17 G18 S23 C24 A25 L28 | M1-L21 HydrophobicContact CE-CD1 3.88Å; M1-L21 HydrophobicContact SD-CD1 3.85Å; M1-L21 HydrophobicContact SD-CD2 4.24Å; L8-L21 HydrophobicContact CD2-CD2 4.04Å; C17-L21 PolarHBondContact O-N 3.23Å; G18-L21 PolarHBondContact O-N 3.02Å; L21-S23 PolarHBondContact O-N 3.12Å; L21-C24 PolarHBondContact O-N 2.81Å; L21-C24 VanDerWaalsContact O-N 3.13Å; L21-A25 PolarHBondContact O-N 2.82Å; L21-L28 HydrophobicContact CG-CD2 4.43Å |
| 22 | T | 86.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.4 | -20.4 | 177.3 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | L8 V10 G18 V19 Y20 W30 F109 R112 | L8-T22 HydrophobicContact CD2-CG2 4.09Å; V10-T22 HydrophobicContact CG2-CG2 4.1Å; G18-T22 WeakPolarHBondContact O-CG2 3.39Å; G18-T22 PolarHBondContact O-N 2.77Å; V19-T22 PolarHBondContact O-OG1 3.26Å; Y20-T22 VanDerWaalsContact C-N 3.28Å; Y20-T22 PolarHBondContact O-N 3.31Å; T22-W30 HydrophobicContact CG2-CB 3.92Å; T22-W30 HydrophobicContact CG2-CD2 3.47Å; T22-W30 VanDerWaalsContact CG2-CD2 3.47Å; T22-W30 HydrophobicContact CG2-CE3 3.82Å; T22-W30 HydrophobicContact CG2-CG 3.5Å; T22-W30 VanDerWaalsContact CG2-CG 3.5Å; T22-F109 HydrophobicContact CG2-CD2 4.02Å; T22-F109 HydrophobicContact CG2-CE2 4.15Å; T22-F109 VanDerWaalsContact OG1-CD2 3.28Å; T22-F109 WeakPolarHBondContact OG1-CD2 3.48Å; T22-R112 PolarHBondContact O-NH2 2.66Å |
| 23 | S | 82.1 | Confident | 85.9 | Confident | 24 Ų | 24 | 53.4 Ų | 53.4 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -79.5 | -26.1 | 174.3 | -61.5 | 0 | 0 | 0 | 0 | 111.9 | V19 Y20 L21 R103 N105 | V19-S23 PolarHBondContact O-N 3.48Å; V19-S23 PolarHBondContact O-OG 3.02Å; Y20-S23 WeakPolarHBondContact O-CA 3.25Å; Y20-S23 VanDerWaalsContact O-CB 3.3Å; Y20-S23 WeakPolarHBondContact O-CB 3.47Å; Y20-S23 PolarHBondContact O-N 3.43Å; L21-S23 PolarHBondContact O-N 3.12Å; S23-R103 WeakPolarHBondContact CB-O 3.2Å; S23-N105 PolarHBondContact OG-N 3.43Å |
| 24 | C | 80.3 | Confident | 86.3 | Confident | 71 Ų | 71 | 51 Ų | 51 | 48% | 0.48 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -92.8 | -31.4 | -178.4 | -65 | 0 | 0 | 0 | 0 | 113.3 | Y20 L21 | Y20-C24 WeakPolarHBondContact CE2-SG 3.25Å; Y20-C24 PolarHBondContact O-N 2.93Å; L21-C24 PolarHBondContact O-N 2.81Å; L21-C24 VanDerWaalsContact O-N 3.13Å |
| 25 | A | 79.4 | Confident | 86.6 | Confident | 29 Ų | 29 | 46.1 Ų | 46.1 | 24% | 0.24 | 25% | 0.248 | C | C | . | . | trans | -82.3 | 126.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L21 L28 | L21-A25 PolarHBondContact O-N 2.82Å; A25-L28 HydrophobicContact CB-CB 3.52Å; A25-L28 HydrophobicContact CB-CD2 3.92Å; A25-L28 HydrophobicContact CB-CG 4.38Å | ||
| 26 | K | 73.2 | Confident | 86.8 | Confident | 199 Ų | 199 | 41.4 Ų | 41.4 | 87% | 0.865 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -81 | -35.8 | 178.7 | -71.4 | -174.2 | 178 | -180 | 0 | 113.6 | ||
| 27 | N | 81.1 | Confident | 87.2 | Confident | 165 Ų | 165 | 39.9 Ų | 39.9 | 88% | 0.882 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -119.5 | 41.5 | -173.7 | -66.1 | -9.6 | 0 | 0 | 0 | 111.6 | ||
| 28 | L | 87.1 | Confident | 87.4 | Confident | 24 Ų | 24 | 37 Ų | 37 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | trans | -114.3 | 130.5 | 176.3 | -176.3 | 66.8 | 0 | 0 | 0 | 108.7 | W5 L8 L21 A25 W30 | W5-L28 HydrophobicContact CB-CD1 4.04Å; L8-L28 HydrophobicContact CB-CD1 4.45Å; L8-L28 HydrophobicContact CB-CD2 4.26Å; L8-L28 HydrophobicContact CB-CG 4.46Å; L8-L28 HydrophobicContact CD2-CD2 4.02Å; L21-L28 HydrophobicContact CG-CD2 4.43Å; A25-L28 HydrophobicContact CB-CB 3.52Å; A25-L28 HydrophobicContact CB-CD2 3.92Å; A25-L28 HydrophobicContact CB-CG 4.38Å; L28-W30 WeakPolarHBondContact O-CZ3 3.29Å | ||
| 29 | S | 92.1 | Very high | 87.5 | Confident | 32 Ų | 32 | 39.6 Ų | 39.6 | 22% | 0.224 | 21% | 0.206 | C | C | . | . | trans | -94.1 | 144.8 | 169.2 | -64.9 | 0 | 0 | 0 | 0 | 109.6 | L8 Y330 | L8-S29 PolarHBondContact N-O 3.06Å; S29-Y330 VanDerWaalsContact CB-OH 3.31Å; S29-Y330 WeakPolarHBondContact CB-OH 3.35Å; S29-Y330 PolarHBondContact OG-OH 3.02Å | ||
| 30 | W | 94.3 | Very high | 87.6 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 3% | 0.027 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 153.1 | 177.8 | 67.7 | 91.8 | 0 | 0 | 0 | 113.4 | L8 V10 T22 L28 F109 R112 A113 I114 | L8-W30 HydrophobicContact CB-CB 4Å; L8-W30 CarbonylContact O-C 3.5Å; L8-W30 WeakPolarHBondContact O-CA 3.35Å; L8-W30 WeakPolarHBondContact O-CB 3.45Å; V10-W30 HydrophobicContact CG2-CB 4.3Å; T22-W30 HydrophobicContact CG2-CB 3.92Å; T22-W30 HydrophobicContact CG2-CD2 3.47Å; T22-W30 VanDerWaalsContact CG2-CD2 3.47Å; T22-W30 HydrophobicContact CG2-CE3 3.82Å; T22-W30 HydrophobicContact CG2-CG 3.5Å; T22-W30 VanDerWaalsContact CG2-CG 3.5Å; L28-W30 WeakPolarHBondContact O-CZ3 3.29Å; W30-F109 AromaticContact CD1-CD2 3.71Å; W30-F109 AromaticContact CD1-CE2 3.43Å; W30-F109 VanDerWaalsContact CD1-CE2 3.43Å; W30-F109 HydrophobicContact CG-CE2 4.38Å; W30-F109 AromaticContact NE1-CD2 3.28Å; W30-F109 VanDerWaalsContact NE1-CD2 3.28Å; W30-F109 AromaticContact NE1-CE2 3.51Å; W30-F109 PolarHBondContact NE1-O 3.04Å; W30-R112 HydrophobicContact CH2-CB 3.67Å; W30-R112 VanDerWaalsContact CH2-CZ 3.45Å; W30-R112 HydrophobicContact CZ2-CB 3.63Å; W30-A113 CarbonylContact O-C 3.27Å; W30-A113 WeakPolarHBondContact O-CA 3.16Å; W30-I114 WeakPolarHBondContact O-CG1 3.38Å; W30-I114 PolarHBondContact O-N 3.03Å |
| 31 | I | 94.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 129.4 | 169.6 | -65.7 | 174.8 | 0 | 0 | 0 | 108.3 | L7 L8 L9 V10 Y33 I114 Y115 F117 I327 | L7-I31 HydrophobicContact CD1-CG1 4.25Å; L7-I31 HydrophobicContact CD2-CD1 3.78Å; L7-I31 HydrophobicContact CD2-CG1 4.29Å; L8-I31 PolarHBondContact O-N 3.06Å; L9-I31 HydrophobicContact CG-CB 4.49Å; L9-I31 HydrophobicContact CG-CD1 4.48Å; V10-I31 PolarHBondContact N-O 3.34Å; I31-Y33 PolarHBondContact O-N 2.7Å; I31-I114 HydrophobicContact CD1-CD1 4.4Å; I31-I114 HydrophobicContact CG1-CD1 3.87Å; I31-I114 HydrophobicContact CG1-CG1 3.74Å; I31-Y115 HydrophobicContact CD1-CD2 4.22Å; I31-Y115 HydrophobicContact CG1-CD2 4.31Å; I31-F117 HydrophobicContact CD1-CE2 3.75Å; I31-F117 HydrophobicContact CD1-CZ 3.82Å; I31-F117 HydrophobicContact CG2-CD1 4.33Å; I31-F117 HydrophobicContact CG2-CD2 3.49Å; I31-F117 VanDerWaalsContact CG2-CD2 3.49Å; I31-F117 HydrophobicContact CG2-CE1 4.34Å; I31-F117 HydrophobicContact CG2-CE2 3.59Å; I31-F117 HydrophobicContact CG2-CG 3.91Å; I31-F117 HydrophobicContact CG2-CZ 4.02Å; I31-I327 HydrophobicContact CD1-CD1 4.37Å; I31-I327 HydrophobicContact CD1-CG1 3.7Å |
| 32 | D | 94.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 98.9 | 172 | 175.7 | 7.7 | 0 | 0 | 0 | 109.2 | N12 F109 H110 A113 Y115 A116 F117 | N12-D32 WeakPolarHBondContact CB-OD1 3.19Å; N12-D32 VanDerWaalsContact CG-OD1 3.22Å; N12-D32 PolarHBondContact ND2-OD1 3.45Å; D32-F109 HydrophobicContact CB-CE1 4.2Å; D32-F109 HydrophobicContact CB-CZ 4.09Å; D32-F109 WeakPolarHBondContact OD1-CE1 3.42Å; D32-H110 IonicContact OD1-ND1 3.53Å; D32-H110 IonicContact OD2-CE1 3.58Å; D32-H110 IonicContact OD2-CG 3.8Å; D32-H110 IonicContact OD2-ND1 2.73Å; D32-H110 PolarHBondContact OD2-ND1 3.16Å; D32-A113 HydrophobicContact CB-CB 3.56Å; D32-Y115 PolarHBondContact N-O 2.86Å; D32-A116 HydrophobicContact CB-CB 4.11Å; D32-A116 CarbonylContact O-C 3.42Å; D32-A116 WeakPolarHBondContact O-CA 3.39Å; D32-F117 PolarHBondContact O-N 2.76Å |
| 33 | Y | 94.4 | Very high | 88.2 | Confident | 56 Ų | 56 | 39.2 Ų | 39.2 | 22% | 0.22 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 123 | -177.5 | -176.9 | -137.9 | 0 | 0 | 0 | 111 | V10 D11 N12 I31 T35 F117 S119 | V10-Y33 PolarHBondContact O-N 2.87Å; D11-Y33 CarbonylContact C-O 3.6Å; D11-Y33 VanDerWaalsContact CA-O 3.27Å; D11-Y33 WeakPolarHBondContact CA-O 3.44Å; N12-Y33 PolarHBondContact N-O 2.77Å; N12-Y33 PolarHBondContact OD1-O 2.91Å; I31-Y33 PolarHBondContact O-N 2.7Å; Y33-T35 HydrophobicContact CD1-CG2 4.15Å; Y33-T35 HydrophobicContact CE1-CG2 3.69Å; Y33-F117 HydrophobicContact CD2-CB 3.57Å; Y33-F117 HydrophobicContact CD2-CD2 4.47Å; Y33-F117 HydrophobicContact CE2-CB 4.21Å; Y33-S119 VanDerWaalsContact CE2-OG 3.29Å; Y33-S119 WeakPolarHBondContact CE2-OG 3.49Å; Y33-S119 PolarHBondContact OH-OG 3.24Å |
| 34 | S | 93.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 117.7 | 167 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | N12 T36 L37 F117 S119 | N12-S34 WeakPolarHBondContact OD1-CA 3.43Å; N12-S34 WeakPolarHBondContact OD1-CB 3.22Å; S34-T36 PolarHBondContact O-N 3.33Å; S34-T36 VanDerWaalsContact O-O 3.14Å; S34-T36 WeakPolarHBondContact OG-CG2 3.33Å; S34-T36 PolarHBondContact OG-N 3.31Å; S34-T36 PolarHBondContact OG-O 3.47Å; S34-L37 PolarHBondContact OG-O 2.98Å; S34-F117 PolarHBondContact N-O 3.06Å; S34-S119 PolarHBondContact O-N 3.22Å; S34-S119 PolarHBondContact O-OG 3.44Å |
| 35 | T | 89.4 | Confident | 89.2 | Confident | 34 Ų | 34 | 39 Ų | 39 | 21% | 0.209 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -71.6 | -0.3 | 169.5 | 46.3 | 0 | 0 | 0 | 0 | 112.9 | D11 F14 Y33 Y139 I240 | D11-T35 WeakPolarHBondContact OD2-CB 3.36Å; D11-T35 WeakPolarHBondContact OD2-CG2 3.44Å; D11-T35 PolarHBondContact OD2-OG1 2.89Å; F14-T35 WeakPolarHBondContact CD2-OG1 3.42Å; Y33-T35 HydrophobicContact CD1-CG2 4.15Å; Y33-T35 HydrophobicContact CE1-CG2 3.69Å; T35-Y139 WeakPolarHBondContact CA-OH 3.47Å; T35-Y139 PolarHBondContact O-OH 2.95Å; T35-I240 WeakPolarHBondContact O-CG2 3.17Å |
| 36 | T | 89.4 | Confident | 89.9 | Confident | 8 Ų | 8 | 37.7 Ų | 37.7 | 5% | 0.049 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -120.7 | -152.2 | 167 | -173.6 | 0 | 0 | 0 | 0 | 110.4 | V13 S34 F39 S119 I240 D261 | V13-T36 HydrophobicContact CG2-CG2 4.09Å; S34-T36 PolarHBondContact O-N 3.33Å; S34-T36 VanDerWaalsContact O-O 3.14Å; S34-T36 WeakPolarHBondContact OG-CG2 3.33Å; S34-T36 PolarHBondContact OG-N 3.31Å; S34-T36 PolarHBondContact OG-O 3.47Å; T36-F39 HydrophobicContact CG2-CE1 4.32Å; T36-F39 HydrophobicContact CG2-CE2 4.02Å; T36-F39 HydrophobicContact CG2-CZ 3.61Å; T36-S119 PolarHBondContact O-N 2.61Å; T36-I240 VanDerWaalsContact C-CD1 3.47Å; T36-D261 PolarHBondContact OG1-OD2 3.36Å |
| 37 | L | 89.1 | Confident | 90.9 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 153.6 | 167.7 | 61.1 | 117.4 | 0 | 0 | 0 | 111 | S34 F39 M58 D261 | S34-L37 PolarHBondContact OG-O 2.98Å; L37-F39 HydrophobicContact CD1-CD1 3.91Å; L37-F39 HydrophobicContact CD1-CE1 4.22Å; L37-F39 HydrophobicContact CG-CD1 4.46Å; L37-F39 HydrophobicContact CG-CE1 4.34Å; L37-F39 PolarHBondContact O-N 2.84Å; L37-M58 HydrophobicContact CD1-SD 4.35Å; L37-M58 HydrophobicContact CD2-SD 4.46Å; L37-D261 HydrophobicContact CD2-CB 3.79Å |
| 38 | T | 90.1 | Very high | 91.5 | Very high | 5 Ų | 5 | 21.2 Ų | 21.2 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 123.4 | 165.5 | -48.8 | 0 | 0 | 0 | 0 | 107.8 | T42 R43 G118 | T38-T42 HydrophobicContact CG2-CG2 3.98Å; T38-R43 HydrophobicContact CG2-CG 3.82Å; T38-R43 VanDerWaalsContact O-CZ 3.27Å; T38-R43 PolarHBondContact O-NH1 2.81Å; T38-G118 WeakPolarHBondContact OG1-CA 3.33Å |
| 39 | F | 88.4 | Confident | 91.6 | Very high | 62 Ų | 62 | 23.9 Ų | 23.9 | 27% | 0.272 | 13% | 0.127 | S | C | . | . | P | Polyproline II helix | trans | -71.5 | 153.7 | -178.8 | -66.1 | -64.7 | 0 | 0 | 0 | 112.6 | V13 T36 L37 R41 T42 R43 M58 | V13-F39 HydrophobicContact CG1-CE2 4.49Å; V13-F39 HydrophobicContact CG2-CE2 3.81Å; T36-F39 HydrophobicContact CG2-CE1 4.32Å; T36-F39 HydrophobicContact CG2-CE2 4.02Å; T36-F39 HydrophobicContact CG2-CZ 3.61Å; L37-F39 HydrophobicContact CD1-CD1 3.91Å; L37-F39 HydrophobicContact CD1-CE1 4.22Å; L37-F39 HydrophobicContact CG-CD1 4.46Å; L37-F39 HydrophobicContact CG-CE1 4.34Å; L37-F39 PolarHBondContact O-N 2.84Å; F39-R41 PolarHBondContact O-N 3.38Å; F39-T42 WeakPolarHBondContact O-CB 3.38Å; F39-T42 PolarHBondContact O-N 2.93Å; F39-R43 PolarHBondContact O-N 3.35Å; F39-M58 HydrophobicContact CD1-CE 4.3Å; F39-M58 HydrophobicContact CD1-SD 4.35Å; F39-M58 HydrophobicContact CE1-CE 3.58Å; F39-M58 HydrophobicContact CE1-SD 4.2Å |
| 40 | R | 89.4 | Confident | 91.4 | Very high | 25 Ų | 25 | 22.8 Ų | 22.8 | 9% | 0.094 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -51.5 | -44.3 | 175.2 | -170.9 | -165.9 | -60.1 | -94.3 | 3 | 112 | T42 R43 A44 L50 P51 I52 E55 E78 | R40-T42 PolarHBondContact O-N 2.76Å; R40-R43 WeakPolarHBondContact O-CB 3.46Å; R40-R43 PolarHBondContact O-N 3.05Å; R40-A44 PolarHBondContact O-N 3.22Å; R40-L50 HydrophobicContact CG-CB 4.32Å; R40-L50 HydrophobicContact CG-CD2 4.3Å; R40-L50 PolarHBondContact NH1-O 2.85Å; R40-P51 VanDerWaalsContact NH1-C 3.26Å; R40-P51 PolarHBondContact NH1-O 2.79Å; R40-I52 VanDerWaalsContact NH1-CA 3.27Å; R40-E55 IonicContact CZ-OE1 3.33Å; R40-E55 IonicContact NE-OE1 2.77Å; R40-E55 PolarHBondContact NH2-O 3.27Å; R40-E55 IonicContact NH2-OE1 2.81Å; R40-E78 VanDerWaalsContact CD-OE1 3.3Å; R40-E78 WeakPolarHBondContact CD-OE1 3.42Å; R40-E78 IonicContact CZ-OE2 3.44Å; R40-E78 IonicContact NE-OE1 3.69Å; R40-E78 PolarHBondContact NE-OE1 3.4Å; R40-E78 IonicContact NE-OE2 3.24Å; R40-E78 PolarHBondContact NE-OE2 3.25Å; R40-E78 IonicContact NH2-OE2 3.29Å; R40-E78 PolarHBondContact NH2-OE2 3.32Å |
| 41 | R | 87.7 | Confident | 91.2 | Very high | 64 Ų | 64 | 25.2 Ų | 25.2 | 24% | 0.242 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 177.4 | -174.6 | 178.6 | -177.5 | 149 | 0.8 | 112.6 | F39 A44 L45 S82 G85 T86 Q89 | F39-R41 PolarHBondContact O-N 3.38Å; R41-A44 PolarHBondContact O-N 3.03Å; R41-L45 HydrophobicContact CG-CD1 4.49Å; R41-L45 WeakPolarHBondContact O-CG 3.47Å; R41-L45 PolarHBondContact O-N 2.63Å; R41-S82 PolarHBondContact NH1-O 2.96Å; R41-G85 VanDerWaalsContact NH1-C 3.31Å; R41-T86 VanDerWaalsContact NH1-N 3.11Å; R41-T86 PolarHBondContact NH1-OG1 3.14Å; R41-T86 PolarHBondContact NH2-OG1 2.8Å; R41-Q89 VanDerWaalsContact CZ-CD 3.45Å |
| 42 | T | 89.8 | Confident | 90.9 | Very high | 8 Ų | 8 | 28 Ų | 28 | 5% | 0.049 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 176.6 | -54.1 | 0 | 0 | 0 | 0 | 110.8 | T38 F39 R40 L45 R46 | T38-T42 HydrophobicContact CG2-CG2 3.98Å; F39-T42 WeakPolarHBondContact O-CB 3.38Å; F39-T42 PolarHBondContact O-N 2.93Å; R40-T42 PolarHBondContact O-N 2.76Å; T42-L45 PolarHBondContact O-N 2.94Å; T42-R46 PolarHBondContact O-N 3.38Å; T42-R46 VanDerWaalsContact O-N 3.17Å |
| 43 | R | 92.2 | Very high | 90.7 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 2% | 0.023 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59 | -47.6 | 172.7 | -72.3 | -167.8 | 178.4 | 90.1 | 6.8 | 112.1 | T38 F39 R40 L45 R46 A47 I48 | T38-R43 HydrophobicContact CG2-CG 3.82Å; T38-R43 VanDerWaalsContact O-CZ 3.27Å; T38-R43 PolarHBondContact O-NH1 2.81Å; F39-R43 PolarHBondContact O-N 3.35Å; R40-R43 WeakPolarHBondContact O-CB 3.46Å; R40-R43 PolarHBondContact O-N 3.05Å; R43-L45 VanDerWaalsContact C-N 3.35Å; R43-L45 PolarHBondContact O-N 2.65Å; R43-R46 CarbonylContact O-C 3.36Å; R43-R46 VanDerWaalsContact O-C 3.27Å; R43-R46 WeakPolarHBondContact O-CA 3.35Å; R43-R46 PolarHBondContact O-N 3.1Å; R43-A47 PolarHBondContact O-N 2.74Å; R43-I48 CarbonylContact C-O 3.04Å; R43-I48 HydrophobicContact CB-CB 4Å; R43-I48 HydrophobicContact CB-CG2 4.26Å; R43-I48 HydrophobicContact CG-CG2 4.48Å; R43-I48 PolarHBondContact O-N 3.22Å |
| 44 | A | 91.4 | Very high | 90.3 | Very high | 62 Ų | 62 | 30.8 Ų | 30.8 | 51% | 0.512 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.9 | -41.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R40 R41 R46 A47 | R40-A44 PolarHBondContact O-N 3.22Å; R41-A44 PolarHBondContact O-N 3.03Å; A44-R46 PolarHBondContact O-N 2.93Å; A44-A47 PolarHBondContact O-N 3.12Å |
| 45 | L | 92 | Very high | 89.9 | Confident | 27 Ų | 27 | 31 Ų | 31 | 14% | 0.141 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.9 | -23.1 | 174 | -71.1 | 172.3 | 0 | 0 | 0 | 112.8 | R41 T42 R43 A47 K107 H110 R111 | R41-L45 HydrophobicContact CG-CD1 4.49Å; R41-L45 WeakPolarHBondContact O-CG 3.47Å; R41-L45 PolarHBondContact O-N 2.63Å; T42-L45 PolarHBondContact O-N 2.94Å; R43-L45 VanDerWaalsContact C-N 3.35Å; R43-L45 PolarHBondContact O-N 2.65Å; L45-A47 VanDerWaalsContact C-N 3.34Å; L45-K107 HydrophobicContact CD1-CG 4.49Å; L45-K107 HydrophobicContact CD2-CB 4.01Å; L45-K107 HydrophobicContact CD2-CD 4.12Å; L45-K107 HydrophobicContact CD2-CG 3.81Å; L45-H110 HydrophobicContact CB-CB 4.08Å; L45-H110 HydrophobicContact CD1-CB 4.03Å; L45-R111 HydrophobicContact CB-CG 4.46Å; L45-R111 WeakPolarHBondContact O-CG 3.24Å |
| 46 | R | 93.6 | Very high | 89.9 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 18.7 | 174.1 | -63.3 | -175.3 | 67.3 | 88.9 | -11.2 | 112.6 | T42 R43 A44 I48 H110 A113 A116 N133 T134 V345 | T42-R46 PolarHBondContact O-N 3.38Å; T42-R46 VanDerWaalsContact O-N 3.17Å; R43-R46 CarbonylContact O-C 3.36Å; R43-R46 VanDerWaalsContact O-C 3.27Å; R43-R46 WeakPolarHBondContact O-CA 3.35Å; R43-R46 PolarHBondContact O-N 3.1Å; A44-R46 PolarHBondContact O-N 2.93Å; R46-I48 PolarHBondContact O-N 3.33Å; R46-H110 WeakPolarHBondContact CG-O 3.23Å; R46-H110 PolarHBondContact NH1-O 2.75Å; R46-A113 PolarHBondContact NH1-O 2.71Å; R46-A113 PolarHBondContact NH2-O 2.78Å; R46-A116 VanDerWaalsContact NE-CB 3.34Å; R46-N133 PolarHBondContact NH2-ND2 2.95Å; R46-N133 PolarHBondContact NH2-O 2.9Å; R46-N133 PolarHBondContact NH2-OD1 3.49Å; R46-T134 PolarHBondContact NE-OG1 3.31Å; R46-V345 VanDerWaalsContact C-CG2 3.5Å; R46-V345 WeakPolarHBondContact O-CG2 3.39Å |
| 47 | A | 94.4 | Very high | 89.9 | Confident | 9 Ų | 9 | 29.5 Ų | 29.5 | 7% | 0.074 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 28.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R43 A44 L45 L342 V345 Y352 | R43-A47 PolarHBondContact O-N 2.74Å; A44-A47 PolarHBondContact O-N 3.12Å; L45-A47 VanDerWaalsContact C-N 3.34Å; A47-L342 HydrophobicContact CB-CB 4.1Å; A47-L342 HydrophobicContact CB-CD1 4.38Å; A47-L342 WeakPolarHBondContact O-CD1 3.42Å; A47-V345 HydrophobicContact CB-CB 4.44Å; A47-V345 HydrophobicContact CB-CG2 3.76Å; A47-V345 VanDerWaalsContact CB-N 3.28Å; A47-Y352 HydrophobicContact CB-CE2 3.74Å; A47-Y352 PolarHBondContact O-OH 3.47Å |
| 48 | I | 93.7 | Very high | 89.8 | Confident | 9 Ų | 9 | 30.8 Ų | 30.8 | 5% | 0.046 | 17% | 0.173 | C | C | . | . | trans | -98.2 | 96.9 | 169.7 | -58.9 | 169.1 | 0 | 0 | 0 | 106.6 | R43 R46 P129 A131 T134 L342 | R43-I48 CarbonylContact C-O 3.04Å; R43-I48 HydrophobicContact CB-CB 4Å; R43-I48 HydrophobicContact CB-CG2 4.26Å; R43-I48 HydrophobicContact CG-CG2 4.48Å; R43-I48 PolarHBondContact O-N 3.22Å; R46-I48 PolarHBondContact O-N 3.33Å; I48-P129 HydrophobicContact CG2-CB 4.1Å; I48-P129 HydrophobicContact CG2-CG 3.88Å; I48-A131 HydrophobicContact CD1-CB 3.66Å; I48-A131 HydrophobicContact CG1-CB 3.95Å; I48-T134 VanDerWaalsContact CD1-CB 3.43Å; I48-T134 HydrophobicContact CD1-CG2 3.45Å; I48-T134 VanDerWaalsContact CD1-CG2 3.45Å; I48-L342 HydrophobicContact CG1-CD1 3.91Å | ||
| 49 | N | 89.6 | Confident | 89.6 | Confident | 80 Ų | 80 | 35 Ų | 35 | 43% | 0.428 | 20% | 0.195 | S | C | . | . | trans | -70.8 | 133.8 | 178.7 | -172.4 | 32.6 | 0 | 0 | 0 | 110.6 | Y352 | N49-Y352 HydrophobicContact CB-CE1 4.33Š| ||
| 50 | L | 88.3 | Confident | 89.4 | Confident | 10 Ų | 10 | 33 Ų | 33 | 5% | 0.052 | 19% | 0.187 | C | C | . | . | trans | -132.5 | 106.5 | 176 | -178.6 | 59.2 | 0 | 0 | 0 | 109.4 | R40 I52 T54 E55 L128 P129 | R40-L50 HydrophobicContact CG-CB 4.32Å; R40-L50 HydrophobicContact CG-CD2 4.3Å; R40-L50 PolarHBondContact NH1-O 2.85Å; L50-I52 PolarHBondContact O-N 2.9Å; L50-T54 VanDerWaalsContact CD1-OG1 3.28Å; L50-T54 WeakPolarHBondContact CD1-OG1 3.39Å; L50-E55 VanDerWaalsContact CD2-CD 3.45Å; L50-E55 HydrophobicContact CD2-CG 4.04Å; L50-E55 WeakPolarHBondContact CD2-OE1 3.15Å; L50-L128 HydrophobicContact CD1-CD2 3.45Å; L50-L128 VanDerWaalsContact CD1-CD2 3.45Å; L50-L128 HydrophobicContact CD2-CD1 4.32Å; L50-L128 HydrophobicContact CD2-CD2 3.69Å; L50-L128 HydrophobicContact CG-CD2 4.21Å; L50-P129 HydrophobicContact CD1-CG 4.48Å | ||
| 51 | P | 89.1 | Confident | 88.9 | Confident | 58 Ų | 58 | 33.1 Ų | 33.1 | 38% | 0.377 | 19% | 0.189 | S | C | . | . | trans | -56.1 | 139 | 179.9 | -25 | 33.8 | 0 | 0 | 0 | 112 | R40 S53 T54 | R40-P51 VanDerWaalsContact NH1-C 3.26Å; R40-P51 PolarHBondContact NH1-O 2.79Å; P51-S53 PolarHBondContact O-N 3.47Å; P51-S53 VanDerWaalsContact O-N 3.09Å; P51-T54 HydrophobicContact CB-CG2 4.06Å; P51-T54 HydrophobicContact CG-CG2 4.27Å; P51-T54 PolarHBondContact O-N 2.86Å; P51-T54 PolarHBondContact O-OG1 2.8Å | ||
| 52 | I | 90 | Very high | 88.7 | Confident | 58 Ų | 58 | 33.3 Ų | 33.3 | 30% | 0.297 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -20.4 | 178.8 | -56.8 | 175.3 | 0 | 0 | 0 | 111.5 | R40 L50 N74 E78 | R40-I52 VanDerWaalsContact NH1-CA 3.27Å; L50-I52 PolarHBondContact O-N 2.9Å; I52-N74 PolarHBondContact O-ND2 2.9Å; I52-E78 HydrophobicContact CD1-CG 4.04Å; I52-E78 HydrophobicContact CG1-CG 4.17Å; I52-E78 HydrophobicContact CG2-CB 3.95Å; I52-E78 HydrophobicContact CG2-CG 4.12Å |
| 53 | S | 89 | Confident | 88.5 | Confident | 48 Ų | 48 | 35 Ų | 35 | 34% | 0.336 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -3.6 | 179.1 | 54.6 | 0 | 0 | 0 | 0 | 115.8 | P51 Y63 H65 | P51-S53 PolarHBondContact O-N 3.47Å; P51-S53 VanDerWaalsContact O-N 3.09Å; S53-Y63 WeakPolarHBondContact CA-OH 3.49Å; S53-Y63 PolarHBondContact O-OH 3.32Å; S53-H65 VanDerWaalsContact O-CB 3.25Å; S53-H65 WeakPolarHBondContact O-CB 3.42Å |
| 54 | T | 86.2 | Confident | 88.3 | Confident | 67 Ų | 67 | 38.3 Ų | 38.3 | 41% | 0.411 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -22.2 | -173.1 | 56 | 0 | 0 | 0 | 0 | 114.1 | L50 P51 | L50-T54 VanDerWaalsContact CD1-OG1 3.28Å; L50-T54 WeakPolarHBondContact CD1-OG1 3.39Å; P51-T54 HydrophobicContact CB-CG2 4.06Å; P51-T54 HydrophobicContact CG-CG2 4.27Å; P51-T54 PolarHBondContact O-N 2.86Å; P51-T54 PolarHBondContact O-OG1 2.8Å |
| 55 | E | 86.3 | Confident | 88.1 | Confident | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.028 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -135.8 | 148.9 | 177.5 | 72.3 | 168.3 | 174.3 | 0 | 0 | 111.7 | R40 L50 N74 L128 R264 | R40-E55 IonicContact CZ-OE1 3.33Å; R40-E55 IonicContact NE-OE1 2.77Å; R40-E55 PolarHBondContact NH2-O 3.27Å; R40-E55 IonicContact NH2-OE1 2.81Å; L50-E55 VanDerWaalsContact CD2-CD 3.45Å; L50-E55 HydrophobicContact CD2-CG 4.04Å; L50-E55 WeakPolarHBondContact CD2-OE1 3.15Å; E55-N74 PolarHBondContact O-ND2 3.31Å; E55-L128 HydrophobicContact CB-CD2 4.4Å; E55-R264 IonicContact OE2-CZ 2.61Å; E55-R264 IonicContact OE2-NE 3.85Å; E55-R264 PolarHBondContact OE2-NE 3.46Å; E55-R264 IonicContact OE2-NH2 3.44Å; E55-R264 PolarHBondContact OE2-NH2 3.02Å |
| 56 | P | 88.9 | Confident | 88.1 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.013 | 25% | 0.246 | C | C | . | . | trans | -62.3 | 143.1 | 168.6 | 25.6 | -31.3 | 0 | 0 | 0 | 111 | M60 Y63 N74 F126 | P56-M60 HydrophobicContact CB-CB 3.87Å; P56-M60 HydrophobicContact CB-CG 4.22Å; P56-M60 HydrophobicContact CB-SD 4.47Å; P56-Y63 HydrophobicContact CB-CD1 4.38Å; P56-Y63 HydrophobicContact CB-CG 4.17Å; P56-N74 WeakPolarHBondContact CA-OD1 3.49Å; P56-F126 HydrophobicContact CG-CE1 3.94Å; P56-F126 HydrophobicContact CG-CE2 3.83Å; P56-F126 HydrophobicContact CG-CZ 3.38Å | ||
| 57 | N | 89.7 | Confident | 88.1 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | trans | -62.4 | 168.9 | 163.6 | 70.9 | 52.6 | 0 | 0 | 0 | 110.3 | N59 M60 N74 E78 E81 | N57-N59 PolarHBondContact O-N 3.11Å; N57-N59 VanDerWaalsContact O-N 3.09Å; N57-N59 PolarHBondContact OD1-N 2.81Å; N57-M60 PolarHBondContact O-N 3.12Å; N57-M60 VanDerWaalsContact O-N 3.11Å; N57-M60 WeakPolarHBondContact OD1-CB 3.45Å; N57-M60 PolarHBondContact OD1-N 2.84Å; N57-N74 PolarHBondContact N-OD1 3.14Å; N57-N74 WeakPolarHBondContact ND2-CA 3.41Å; N57-N74 PolarHBondContact ND2-O 2.96Å; N57-N74 PolarHBondContact ND2-OD1 3.32Å; N57-N74 VanDerWaalsContact ND2-OD1 3.15Å; N57-E78 HydrophobicContact CB-CB 4.4Å; N57-E81 PolarHBondContact OD1-OE1 2.95Å | ||
| 58 | M | 87.1 | Confident | 88.1 | Confident | 31 Ų | 31 | 55.2 Ų | 55.2 | 15% | 0.153 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -26.2 | -170.8 | -64.5 | -69.6 | -72.2 | 0 | 0 | 113.3 | L37 F39 E81 D261 Y263 R264 | L37-M58 HydrophobicContact CD1-SD 4.35Å; L37-M58 HydrophobicContact CD2-SD 4.46Å; F39-M58 HydrophobicContact CD1-CE 4.3Å; F39-M58 HydrophobicContact CD1-SD 4.35Å; F39-M58 HydrophobicContact CE1-CE 3.58Å; F39-M58 HydrophobicContact CE1-SD 4.2Å; M58-E81 WeakPolarHBondContact CB-OE1 3.03Å; M58-E81 WeakPolarHBondContact CB-OE2 2.88Å; M58-E81 VanDerWaalsContact CG-OE2 3.29Å; M58-E81 WeakPolarHBondContact CG-OE2 3.19Å; M58-E81 PolarHBondContact N-OE1 3.17Å; M58-E81 PolarHBondContact N-OE2 3.42Å; M58-D261 HydrophobicContact CE-CB 3.56Å; M58-Y263 WeakPolarHBondContact O-CB 3.14Å; M58-R264 PolarHBondContact O-N 3.42Å; M58-R264 HydrophobicContact SD-CB 4.4Å |
| 59 | N | 85 | Confident | 88.2 | Confident | 93 Ų | 93 | 62.3 Ų | 62.3 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -2.8 | -178.1 | -63.4 | -67.3 | 0 | 0 | 0 | 114.2 | N57 E81 | N57-N59 PolarHBondContact O-N 3.11Å; N57-N59 VanDerWaalsContact O-N 3.09Å; N57-N59 PolarHBondContact OD1-N 2.81Å; N59-E81 PolarHBondContact N-OE1 2.95Å; N59-E81 PolarHBondContact ND2-OE1 3.44Å |
| 60 | M | 83.2 | Confident | 88.4 | Confident | 20 Ų | 20 | 61.9 Ų | 61.9 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | trans | -93.6 | 112.2 | -172.6 | -172.7 | 172.7 | -134.2 | 0 | 0 | 112.6 | P56 N57 N62 Y63 F70 T73 N74 A267 | P56-M60 HydrophobicContact CB-CB 3.87Å; P56-M60 HydrophobicContact CB-CG 4.22Å; P56-M60 HydrophobicContact CB-SD 4.47Å; N57-M60 PolarHBondContact O-N 3.12Å; N57-M60 VanDerWaalsContact O-N 3.11Å; N57-M60 WeakPolarHBondContact OD1-CB 3.45Å; N57-M60 PolarHBondContact OD1-N 2.84Å; M60-N62 WeakPolarHBondContact CE-O 3.42Å; M60-Y63 HydrophobicContact CE-CD2 4.04Å; M60-Y63 HydrophobicContact SD-CD2 3.33Å; M60-Y63 WeakPolarHBondContact SD-CD2 3.5Å; M60-Y63 HydrophobicContact SD-CE2 4.13Å; M60-Y63 HydrophobicContact SD-CG 3.95Å; M60-F70 HydrophobicContact CE-CB 4.35Å; M60-F70 HydrophobicContact CE-CD1 3.78Å; M60-F70 WeakPolarHBondContact CE-O 3.41Å; M60-T73 WeakPolarHBondContact CE-OG1 3.42Å; M60-N74 HydrophobicContact CE-CB 4.19Å; M60-N74 HydrophobicContact SD-CB 3.61Å; M60-N74 PolarHBondContact SD-OD1 2.88Å; M60-A267 WeakPolarHBondContact O-CB 3.31Å | ||
| 61 | I | 80.7 | Confident | 88.7 | Confident | 29 Ų | 29 | 66.3 Ų | 66.3 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -84 | -40.7 | -179.7 | -62.3 | 142.9 | 0 | 0 | 0 | 112.6 | Y263 A267 F277 | I61-Y263 HydrophobicContact CD1-CD1 3.83Å; I61-Y263 HydrophobicContact CD1-CE1 4.24Å; I61-Y263 HydrophobicContact CG1-CD1 3.87Å; I61-A267 VanDerWaalsContact O-CB 3.23Å; I61-A267 WeakPolarHBondContact O-CB 3.16Å; I61-F277 HydrophobicContact CB-CE1 4.48Å; I61-F277 HydrophobicContact CD1-CE1 3.73Å; I61-F277 HydrophobicContact CD1-CE2 3.72Å; I61-F277 HydrophobicContact CD1-CZ 3.18Å; I61-F277 HydrophobicContact CG1-CD2 4.46Å; I61-F277 HydrophobicContact CG1-CE1 4.26Å; I61-F277 HydrophobicContact CG1-CE2 3.94Å; I61-F277 HydrophobicContact CG1-CZ 3.83Å; I61-F277 HydrophobicContact CG2-CB 4.5Å; I61-F277 HydrophobicContact CG2-CD1 3.55Å; I61-F277 HydrophobicContact CG2-CD2 4.21Å; I61-F277 HydrophobicContact CG2-CE1 3.72Å; I61-F277 HydrophobicContact CG2-CE2 4.34Å; I61-F277 HydrophobicContact CG2-CG 3.8Å; I61-F277 HydrophobicContact CG2-CZ 4.11Å |
| 62 | N | 83.3 | Confident | 88.9 | Confident | 68 Ų | 68 | 68.4 Ų | 68.4 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -111.1 | 108.1 | -177.7 | -70.7 | -31.4 | 0 | 0 | 0 | 108.4 | M60 F70 R270 | M60-N62 WeakPolarHBondContact CE-O 3.42Å; N62-F70 HydrophobicContact CB-CE1 4.08Å; N62-F70 HydrophobicContact CB-CZ 4.44Å; N62-F70 WeakPolarHBondContact O-CD1 3.3Å; N62-F70 VanDerWaalsContact O-CE1 3.23Å; N62-F70 WeakPolarHBondContact O-CE1 3.32Å; N62-R270 PolarHBondContact OD1-NE 3.23Å; N62-R270 PolarHBondContact OD1-NH1 2.91Å; N62-R270 VanDerWaalsContact OD1-NH1 3.1Å |
| 63 | Y | 84.4 | Confident | 89.1 | Confident | 44 Ų | 44 | 68.9 Ų | 68.9 | 17% | 0.173 | 34% | 0.338 | C | S | . | . | trans | -128 | 126.4 | 177.6 | -173.2 | -121.3 | 0 | 0 | 0 | 111.6 | S53 P56 M60 H65 F70 N74 | S53-Y63 WeakPolarHBondContact CA-OH 3.49Å; S53-Y63 PolarHBondContact O-OH 3.32Å; P56-Y63 HydrophobicContact CB-CD1 4.38Å; P56-Y63 HydrophobicContact CB-CG 4.17Å; M60-Y63 HydrophobicContact CE-CD2 4.04Å; M60-Y63 HydrophobicContact SD-CD2 3.33Å; M60-Y63 WeakPolarHBondContact SD-CD2 3.5Å; M60-Y63 HydrophobicContact SD-CE2 4.13Å; M60-Y63 HydrophobicContact SD-CG 3.95Å; Y63-H65 HydrophobicContact CE1-CB 3.81Å; Y63-F70 HydrophobicContact CD2-CB 4.08Å; Y63-F70 HydrophobicContact CE2-CB 4.3Å; Y63-N74 HydrophobicContact CD2-CB 4.16Å; Y63-N74 HydrophobicContact CE2-CB 3.66Å | ||
| 64 | N | 88.8 | Confident | 89.4 | Confident | 74 Ų | 74 | 66.6 Ų | 66.6 | 40% | 0.396 | 32% | 0.322 | S | S | . | . | trans | -128.7 | 104.8 | 168.6 | 177.8 | -5.8 | 0 | 0 | 0 | 108.1 | K66 S67 F70 | N64-K66 PolarHBondContact O-N 3.3Å; N64-K66 VanDerWaalsContact O-N 3.1Å; N64-K66 WeakPolarHBondContact OD1-CB 3.38Å; N64-K66 PolarHBondContact OD1-N 2.02Å; N64-S67 PolarHBondContact O-N 2.87Å; N64-F70 HydrophobicContact CB-CD2 3.76Å; N64-F70 HydrophobicContact CB-CE2 4.18Å; N64-F70 HydrophobicContact CB-CG 4.49Å; N64-F70 WeakPolarHBondContact O-CB 3.3Å | ||
| 65 | H | 87.6 | Confident | 89.8 | Confident | 104 Ų | 104 | 65.4 Ų | 65.4 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -21 | -177.8 | 63.5 | -92.9 | 0 | 0 | 0 | 113.7 | S53 Y63 S67 R71 | S53-H65 VanDerWaalsContact O-CB 3.25Å; S53-H65 WeakPolarHBondContact O-CB 3.42Å; Y63-H65 HydrophobicContact CE1-CB 3.81Å; H65-S67 VanDerWaalsContact C-N 3.32Å; H65-R71 WeakPolarHBondContact O-CD 3.4Å; H65-R71 WeakPolarHBondContact O-CG 3.41Å |
| 66 | K | 91.4 | Very high | 90.1 | Very high | 172 Ų | 172 | 67.9 Ų | 67.9 | 75% | 0.748 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -20.7 | 176.5 | -60 | -171.4 | 176.7 | -176.1 | 0 | 113 | N64 | N64-K66 PolarHBondContact O-N 3.3Å; N64-K66 VanDerWaalsContact O-N 3.1Å; N64-K66 WeakPolarHBondContact OD1-CB 3.38Å; N64-K66 PolarHBondContact OD1-N 2.02Å |
| 67 | S | 94.1 | Very high | 90.3 | Very high | 38 Ų | 38 | 68.6 Ų | 68.6 | 27% | 0.266 | 34% | 0.344 | S | S | . | . | trans | -90.1 | 126.6 | -179.7 | 179 | 0 | 0 | 0 | 0 | 111.1 | N64 H65 K69 F70 R71 | N64-S67 PolarHBondContact O-N 2.87Å; H65-S67 VanDerWaalsContact C-N 3.32Å; S67-K69 VanDerWaalsContact C-N 3.31Å; S67-K69 PolarHBondContact O-N 3.31Å; S67-K69 PolarHBondContact OG-N 2.95Å; S67-F70 PolarHBondContact O-N 2.77Å; S67-R71 WeakPolarHBondContact O-CG 3.41Å; S67-R71 PolarHBondContact O-N 3.04Å | ||
| 68 | F | 94.7 | Very high | 90.4 | Very high | 142 Ų | 142 | 69.5 Ų | 69.5 | 62% | 0.623 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -57.7 | -43.1 | 173.5 | -179.2 | -96.2 | 0 | 0 | 0 | 112.3 | F70 R71 L72 | F68-F70 PolarHBondContact O-N 3.36Å; F68-R71 PolarHBondContact O-N 2.92Å; F68-R71 VanDerWaalsContact O-N 3.15Å; F68-L72 HydrophobicContact CE1-CB 4.44Å; F68-L72 HydrophobicContact CE1-CD2 4.18Å; F68-L72 WeakPolarHBondContact O-CB 3.25Å; F68-L72 PolarHBondContact O-N 3.3Å |
| 69 | K | 94.9 | Very high | 90.7 | Very high | 158 Ų | 158 | 74.1 Ų | 74.1 | 69% | 0.687 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -57.7 | -47 | 179.1 | -176.8 | 178.9 | -179.7 | 177.2 | 0 | 111.7 | S67 L72 T73 | S67-K69 VanDerWaalsContact C-N 3.31Å; S67-K69 PolarHBondContact O-N 3.31Å; S67-K69 PolarHBondContact OG-N 2.95Å; K69-L72 PolarHBondContact O-N 2.95Å; K69-T73 PolarHBondContact O-N 3Å; K69-T73 VanDerWaalsContact O-N 3.08Å; K69-T73 PolarHBondContact O-OG1 3.16Å |
| 70 | F | 93.5 | Very high | 91 | Very high | 70 Ų | 70 | 75.6 Ų | 75.6 | 31% | 0.307 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 177.2 | -75.2 | -61.1 | 0 | 0 | 0 | 111.9 | M60 N62 Y63 N64 S67 F68 T73 N74 | M60-F70 HydrophobicContact CE-CB 4.35Å; M60-F70 HydrophobicContact CE-CD1 3.78Å; M60-F70 WeakPolarHBondContact CE-O 3.41Å; N62-F70 HydrophobicContact CB-CE1 4.08Å; N62-F70 HydrophobicContact CB-CZ 4.44Å; N62-F70 WeakPolarHBondContact O-CD1 3.3Å; N62-F70 VanDerWaalsContact O-CE1 3.23Å; N62-F70 WeakPolarHBondContact O-CE1 3.32Å; Y63-F70 HydrophobicContact CD2-CB 4.08Å; Y63-F70 HydrophobicContact CE2-CB 4.3Å; N64-F70 HydrophobicContact CB-CD2 3.76Å; N64-F70 HydrophobicContact CB-CE2 4.18Å; N64-F70 HydrophobicContact CB-CG 4.49Å; N64-F70 WeakPolarHBondContact O-CB 3.3Å; S67-F70 PolarHBondContact O-N 2.77Å; F68-F70 PolarHBondContact O-N 3.36Å; F70-T73 PolarHBondContact O-OG1 2.86Å; F70-N74 WeakPolarHBondContact O-CB 3.33Å; F70-N74 PolarHBondContact O-N 2.96Å |
| 71 | R | 94.5 | Very high | 91.3 | Very high | 103 Ų | 103 | 76.3 Ų | 76.3 | 39% | 0.389 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 174.2 | -70.9 | -167.7 | -64.9 | 166.9 | 2.2 | 112.2 | H65 S67 F68 N74 T75 | H65-R71 WeakPolarHBondContact O-CD 3.4Å; H65-R71 WeakPolarHBondContact O-CG 3.41Å; S67-R71 WeakPolarHBondContact O-CG 3.41Å; S67-R71 PolarHBondContact O-N 3.04Å; F68-R71 PolarHBondContact O-N 2.92Å; F68-R71 VanDerWaalsContact O-N 3.15Å; R71-N74 PolarHBondContact O-N 3.12Å; R71-T75 WeakPolarHBondContact O-CB 3.22Å; R71-T75 PolarHBondContact O-N 3.14Å; R71-T75 PolarHBondContact O-OG1 2.92Å |
| 72 | L | 94.8 | Very high | 91.7 | Very high | 102 Ų | 102 | 77.7 Ų | 77.7 | 53% | 0.534 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.2 | -49.6 | 179.6 | -179.7 | 62.6 | 0 | 0 | 0 | 111.9 | F68 K69 N74 T75 A76 | F68-L72 HydrophobicContact CE1-CB 4.44Å; F68-L72 HydrophobicContact CE1-CD2 4.18Å; F68-L72 WeakPolarHBondContact O-CB 3.25Å; F68-L72 PolarHBondContact O-N 3.3Å; K69-L72 PolarHBondContact O-N 2.95Å; L72-N74 VanDerWaalsContact C-N 3.31Å; L72-N74 PolarHBondContact O-N 3.33Å; L72-T75 PolarHBondContact O-N 2.72Å; L72-A76 PolarHBondContact O-N 3.33Å |
| 73 | T | 94.2 | Very high | 92.1 | Very high | 68 Ų | 68 | 77 Ų | 77 | 42% | 0.417 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.8 | -34.6 | 178.4 | 55.7 | 0 | 0 | 0 | 0 | 112 | M60 K69 F70 A76 G77 | M60-T73 WeakPolarHBondContact CE-OG1 3.42Å; K69-T73 PolarHBondContact O-N 3Å; K69-T73 VanDerWaalsContact O-N 3.08Å; K69-T73 PolarHBondContact O-OG1 3.16Å; F70-T73 PolarHBondContact O-OG1 2.86Å; T73-A76 PolarHBondContact O-N 2.82Å; T73-G77 PolarHBondContact O-N 3.47Å |
| 74 | N | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 173.5 | -164.7 | 51.9 | 0 | 0 | 0 | 111.7 | I52 E55 P56 N57 M60 Y63 F70 R71 L72 G77 E78 | I52-N74 PolarHBondContact O-ND2 2.9Å; E55-N74 PolarHBondContact O-ND2 3.31Å; P56-N74 WeakPolarHBondContact CA-OD1 3.49Å; N57-N74 PolarHBondContact N-OD1 3.14Å; N57-N74 WeakPolarHBondContact ND2-CA 3.41Å; N57-N74 PolarHBondContact ND2-O 2.96Å; N57-N74 PolarHBondContact ND2-OD1 3.32Å; N57-N74 VanDerWaalsContact ND2-OD1 3.15Å; M60-N74 HydrophobicContact CE-CB 4.19Å; M60-N74 HydrophobicContact SD-CB 3.61Å; M60-N74 PolarHBondContact SD-OD1 2.88Å; Y63-N74 HydrophobicContact CD2-CB 4.16Å; Y63-N74 HydrophobicContact CE2-CB 3.66Å; F70-N74 WeakPolarHBondContact O-CB 3.33Å; F70-N74 PolarHBondContact O-N 2.96Å; R71-N74 PolarHBondContact O-N 3.12Å; L72-N74 VanDerWaalsContact C-N 3.31Å; L72-N74 PolarHBondContact O-N 3.33Å; N74-G77 PolarHBondContact O-N 3.42Å; N74-E78 PolarHBondContact O-N 3.48Å |
| 75 | T | 94.4 | Very high | 92.2 | Very high | 42 Ų | 42 | 77.1 Ų | 77.1 | 26% | 0.258 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 178.2 | -61.6 | 0 | 0 | 0 | 0 | 112.2 | R71 L72 G77 E78 M79 | R71-T75 WeakPolarHBondContact O-CB 3.22Å; R71-T75 PolarHBondContact O-N 3.14Å; R71-T75 PolarHBondContact O-OG1 2.92Å; L72-T75 PolarHBondContact O-N 2.72Å; T75-G77 VanDerWaalsContact C-N 3.33Å; T75-G77 PolarHBondContact O-N 3.39Å; T75-E78 PolarHBondContact O-N 2.92Å; T75-M79 HydrophobicContact CG2-CE 3.89Å; T75-M79 HydrophobicContact CG2-SD 4.37Å; T75-M79 WeakPolarHBondContact O-CG 3.45Å; T75-M79 PolarHBondContact O-N 2.98Å |
| 76 | A | 94.3 | Very high | 92.2 | Very high | 58 Ų | 58 | 74.4 Ų | 74.4 | 48% | 0.479 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L72 T73 M79 L80 | L72-A76 PolarHBondContact O-N 3.33Å; T73-A76 PolarHBondContact O-N 2.82Å; A76-M79 PolarHBondContact O-N 3.38Å; A76-L80 PolarHBondContact O-N 3.18Å; A76-L80 VanDerWaalsContact O-N 3.09Å |
| 77 | G | 92.9 | Very high | 92.1 | Very high | 17 Ų | 17 | 70.1 Ų | 70.1 | 18% | 0.175 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | T73 N74 T75 M79 L80 E81 | T73-G77 PolarHBondContact O-N 3.47Å; N74-G77 PolarHBondContact O-N 3.42Å; T75-G77 VanDerWaalsContact C-N 3.33Å; T75-G77 PolarHBondContact O-N 3.39Å; G77-M79 VanDerWaalsContact C-N 3.35Å; G77-M79 PolarHBondContact O-N 2.79Å; G77-L80 WeakPolarHBondContact O-CB 3.39Å; G77-L80 PolarHBondContact O-N 3.38Å; G77-E81 WeakPolarHBondContact O-CG 3.49Å; G77-E81 PolarHBondContact O-N 2.84Å |
| 78 | E | 92 | Very high | 91.6 | Very high | 26 Ų | 26 | 71.7 Ų | 71.7 | 12% | 0.121 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 175.5 | -178.9 | 68.4 | -143 | 0 | 0 | 111.9 | R40 I52 N57 N74 T75 L80 E81 S82 | R40-E78 VanDerWaalsContact CD-OE1 3.3Å; R40-E78 WeakPolarHBondContact CD-OE1 3.42Å; R40-E78 IonicContact CZ-OE2 3.44Å; R40-E78 IonicContact NE-OE1 3.69Å; R40-E78 PolarHBondContact NE-OE1 3.4Å; R40-E78 IonicContact NE-OE2 3.24Å; R40-E78 PolarHBondContact NE-OE2 3.25Å; R40-E78 IonicContact NH2-OE2 3.29Å; R40-E78 PolarHBondContact NH2-OE2 3.32Å; I52-E78 HydrophobicContact CD1-CG 4.04Å; I52-E78 HydrophobicContact CG1-CG 4.17Å; I52-E78 HydrophobicContact CG2-CB 3.95Å; I52-E78 HydrophobicContact CG2-CG 4.12Å; N57-E78 HydrophobicContact CB-CB 4.4Å; N74-E78 PolarHBondContact O-N 3.48Å; T75-E78 PolarHBondContact O-N 2.92Å; E78-L80 VanDerWaalsContact C-N 3.33Å; E78-L80 PolarHBondContact O-N 2.98Å; E78-E81 PolarHBondContact O-N 3.39Å; E78-S82 VanDerWaalsContact O-CB 3.28Å; E78-S82 WeakPolarHBondContact O-CB 3.43Å; E78-S82 PolarHBondContact O-N 2.96Å |
| 79 | M | 92.6 | Very high | 91 | Very high | 128 Ų | 128 | 67.1 Ų | 67.1 | 63% | 0.631 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.2 | -43.1 | 174.8 | -73.8 | 178 | 173.1 | 0 | 0 | 111.5 | T75 A76 G77 S82 A83 | T75-M79 HydrophobicContact CG2-CE 3.89Å; T75-M79 HydrophobicContact CG2-SD 4.37Å; T75-M79 WeakPolarHBondContact O-CG 3.45Å; T75-M79 PolarHBondContact O-N 2.98Å; A76-M79 PolarHBondContact O-N 3.38Å; G77-M79 VanDerWaalsContact C-N 3.35Å; G77-M79 PolarHBondContact O-N 2.79Å; M79-S82 PolarHBondContact O-N 3.16Å; M79-A83 WeakPolarHBondContact O-CB 3.46Å; M79-A83 PolarHBondContact O-N 2.87Å |
| 80 | L | 92.1 | Very high | 90.5 | Very high | 124 Ų | 124 | 66.8 Ų | 66.8 | 65% | 0.649 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.3 | -44.7 | 176 | -178.4 | 64.6 | 0 | 0 | 0 | 111.8 | A76 G77 E78 S82 A83 L84 | A76-L80 PolarHBondContact O-N 3.18Å; A76-L80 VanDerWaalsContact O-N 3.09Å; G77-L80 WeakPolarHBondContact O-CB 3.39Å; G77-L80 PolarHBondContact O-N 3.38Å; E78-L80 VanDerWaalsContact C-N 3.33Å; E78-L80 PolarHBondContact O-N 2.98Å; L80-S82 PolarHBondContact O-N 3.45Å; L80-A83 PolarHBondContact O-N 3.3Å; L80-L84 WeakPolarHBondContact O-CB 3.17Å; L80-L84 PolarHBondContact O-N 3.38Å |
| 81 | E | 88.4 | Confident | 90.1 | Very high | 35 Ų | 35 | 66.4 Ų | 66.4 | 16% | 0.164 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.2 | -42 | 176.7 | -75.1 | 173.6 | -162.3 | 0 | 0 | 111.8 | N57 M58 N59 G77 E78 L84 G85 | N57-E81 PolarHBondContact OD1-OE1 2.95Å; M58-E81 WeakPolarHBondContact CB-OE1 3.03Å; M58-E81 WeakPolarHBondContact CB-OE2 2.88Å; M58-E81 VanDerWaalsContact CG-OE2 3.29Å; M58-E81 WeakPolarHBondContact CG-OE2 3.19Å; M58-E81 PolarHBondContact N-OE1 3.17Å; M58-E81 PolarHBondContact N-OE2 3.42Å; N59-E81 PolarHBondContact N-OE1 2.95Å; N59-E81 PolarHBondContact ND2-OE1 3.44Å; G77-E81 WeakPolarHBondContact O-CG 3.49Å; G77-E81 PolarHBondContact O-N 2.84Å; E78-E81 PolarHBondContact O-N 3.39Å; E81-L84 PolarHBondContact O-N 2.92Å; E81-G85 PolarHBondContact O-N 3.31Å |
| 82 | S | 89.6 | Confident | 89.5 | Confident | 58 Ų | 58 | 63 Ų | 63 | 41% | 0.406 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 176.4 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | R41 E78 M79 L80 T86 | R41-S82 PolarHBondContact NH1-O 2.96Å; E78-S82 VanDerWaalsContact O-CB 3.28Å; E78-S82 WeakPolarHBondContact O-CB 3.43Å; E78-S82 PolarHBondContact O-N 2.96Å; M79-S82 PolarHBondContact O-N 3.16Å; L80-S82 PolarHBondContact O-N 3.45Å; S82-T86 WeakPolarHBondContact O-CB 3.3Å; S82-T86 PolarHBondContact O-N 3.46Å; S82-T86 PolarHBondContact O-OG1 3.18Å |
| 83 | A | 91.5 | Very high | 88.8 | Confident | 54 Ų | 54 | 58.7 Ų | 58.7 | 45% | 0.446 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.9 | -50.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | M79 L80 G85 T86 V87 | M79-A83 WeakPolarHBondContact O-CB 3.46Å; M79-A83 PolarHBondContact O-N 2.87Å; L80-A83 PolarHBondContact O-N 3.3Å; A83-G85 PolarHBondContact O-N 3.45Å; A83-T86 WeakPolarHBondContact O-CB 3.3Å; A83-T86 PolarHBondContact O-N 2.99Å; A83-T86 VanDerWaalsContact O-N 3.1Å; A83-V87 PolarHBondContact O-N 3.39Å |
| 84 | L | 89.5 | Confident | 88.3 | Confident | 101 Ų | 101 | 61.5 Ų | 61.5 | 53% | 0.529 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.8 | -48 | 176.6 | 178.5 | 60.2 | 0 | 0 | 0 | 111.3 | L80 E81 T86 V87 L88 | L80-L84 WeakPolarHBondContact O-CB 3.17Å; L80-L84 PolarHBondContact O-N 3.38Å; E81-L84 PolarHBondContact O-N 2.92Å; L84-T86 PolarHBondContact O-N 3.28Å; L84-V87 WeakPolarHBondContact O-CB 2.71Å; L84-V87 PolarHBondContact O-N 3.29Å; L84-V87 VanDerWaalsContact O-N 3.07Å; L84-L88 HydrophobicContact CD1-CD1 4.38Å; L84-L88 HydrophobicContact CD1-CG 4.24Å; L84-L88 HydrophobicContact CG-CD1 4.06Å; L84-L88 HydrophobicContact CG-CG 4.37Å; L84-L88 WeakPolarHBondContact O-CG 3.26Å; L84-L88 PolarHBondContact O-N 3.33Å |
| 85 | G | 86.8 | Confident | 87.6 | Confident | 19 Ų | 19 | 68.6 Ų | 68.6 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -58.9 | -34.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R41 E81 A83 Q89 | R41-G85 VanDerWaalsContact NH1-C 3.31Å; E81-G85 PolarHBondContact O-N 3.31Å; A83-G85 PolarHBondContact O-N 3.45Å; G85-Q89 WeakPolarHBondContact O-CB 3.48Å; G85-Q89 VanDerWaalsContact O-CG 3.23Å; G85-Q89 WeakPolarHBondContact O-CG 3.42Å; G85-Q89 PolarHBondContact O-N 3.37Å |
| 86 | T | 87 | Confident | 86.9 | Confident | 48 Ų | 48 | 67.7 Ų | 67.7 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.6 | -39.2 | 175.4 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | R41 S82 A83 L84 K90 | R41-T86 VanDerWaalsContact NH1-N 3.11Å; R41-T86 PolarHBondContact NH1-OG1 3.14Å; R41-T86 PolarHBondContact NH2-OG1 2.8Å; S82-T86 WeakPolarHBondContact O-CB 3.3Å; S82-T86 PolarHBondContact O-N 3.46Å; S82-T86 PolarHBondContact O-OG1 3.18Å; A83-T86 WeakPolarHBondContact O-CB 3.3Å; A83-T86 PolarHBondContact O-N 2.99Å; A83-T86 VanDerWaalsContact O-N 3.1Å; L84-T86 PolarHBondContact O-N 3.28Å; T86-K90 WeakPolarHBondContact O-CG 3.46Å; T86-K90 PolarHBondContact O-N 3.14Å; T86-K90 VanDerWaalsContact O-N 3.13Å |
| 87 | V | 88.3 | Confident | 86.2 | Confident | 81 Ų | 81 | 69.1 Ų | 69.1 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.1 | -50.2 | 173.2 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | A83 L84 Q89 K90 L91 | A83-V87 PolarHBondContact O-N 3.39Å; L84-V87 WeakPolarHBondContact O-CB 2.71Å; L84-V87 PolarHBondContact O-N 3.29Å; L84-V87 VanDerWaalsContact O-N 3.07Å; V87-Q89 VanDerWaalsContact C-N 3.3Å; V87-Q89 PolarHBondContact O-N 3.42Å; V87-K90 WeakPolarHBondContact O-CB 3.04Å; V87-K90 PolarHBondContact O-N 2.62Å; V87-L91 HydrophobicContact CG1-CD1 4.06Å; V87-L91 WeakPolarHBondContact O-CG 3.29Å; V87-L91 PolarHBondContact O-N 3.17Å |
| 88 | L | 85.1 | Confident | 85.6 | Confident | 72 Ų | 72 | 70.7 Ų | 70.7 | 38% | 0.377 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.3 | -43.2 | 178.3 | -66.2 | 173.8 | 0 | 0 | 0 | 111.8 | L84 K90 L91 L92 W95 | L84-L88 HydrophobicContact CD1-CD1 4.38Å; L84-L88 HydrophobicContact CD1-CG 4.24Å; L84-L88 HydrophobicContact CG-CD1 4.06Å; L84-L88 HydrophobicContact CG-CG 4.37Å; L84-L88 WeakPolarHBondContact O-CG 3.26Å; L84-L88 PolarHBondContact O-N 3.33Å; L88-K90 VanDerWaalsContact C-N 3.32Å; L88-K90 PolarHBondContact O-N 3.27Å; L88-L91 PolarHBondContact O-N 3.05Å; L88-L91 VanDerWaalsContact O-N 3.15Å; L88-L92 PolarHBondContact O-N 3.13Å; L88-W95 HydrophobicContact CD2-CH2 3.51Å; L88-W95 HydrophobicContact CD2-CZ3 4.06Å |
| 89 | Q | 81.6 | Confident | 84.9 | Confident | 45 Ų | 45 | 76.2 Ų | 76.2 | 21% | 0.21 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62 | -36 | 175.7 | -79.3 | -173.9 | 9.5 | 0 | 0 | 113.4 | R41 G85 V87 L91 L92 P93 I106 | R41-Q89 VanDerWaalsContact CZ-CD 3.45Å; G85-Q89 WeakPolarHBondContact O-CB 3.48Å; G85-Q89 VanDerWaalsContact O-CG 3.23Å; G85-Q89 WeakPolarHBondContact O-CG 3.42Å; G85-Q89 PolarHBondContact O-N 3.37Å; V87-Q89 VanDerWaalsContact C-N 3.3Å; V87-Q89 PolarHBondContact O-N 3.42Å; Q89-L91 VanDerWaalsContact C-N 3.33Å; Q89-L92 WeakPolarHBondContact O-CB 3.45Å; Q89-L92 PolarHBondContact O-N 2.8Å; Q89-P93 WeakPolarHBondContact O-CD 3.33Å; Q89-I106 HydrophobicContact CB-CD1 3.68Å; Q89-I106 HydrophobicContact CG-CD1 3.75Å; Q89-I106 HydrophobicContact CG-CG2 4.32Å; Q89-I106 WeakPolarHBondContact O-CD1 3.24Å |
| 90 | K | 83.2 | Confident | 83.8 | Confident | 152 Ų | 152 | 75.4 Ų | 75.4 | 66% | 0.661 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -72.3 | -26.9 | 175.3 | -74 | -179.1 | 178.1 | -176.2 | 0 | 112.9 | T86 V87 L88 P93 | T86-K90 WeakPolarHBondContact O-CG 3.46Å; T86-K90 PolarHBondContact O-N 3.14Å; T86-K90 VanDerWaalsContact O-N 3.13Å; V87-K90 WeakPolarHBondContact O-CB 3.04Å; V87-K90 PolarHBondContact O-N 2.62Å; L88-K90 VanDerWaalsContact C-N 3.32Å; L88-K90 PolarHBondContact O-N 3.27Å; K90-P93 WeakPolarHBondContact O-CD 3.37Å |
| 91 | L | 85.5 | Confident | 82.8 | Confident | 62 Ų | 62 | 79.1 Ų | 79.1 | 33% | 0.325 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -84.1 | -19.7 | 175.7 | -64.9 | 176.1 | 0 | 0 | 0 | 112.8 | V87 L88 Q89 P93 Y94 W95 L100 | V87-L91 HydrophobicContact CG1-CD1 4.06Å; V87-L91 WeakPolarHBondContact O-CG 3.29Å; V87-L91 PolarHBondContact O-N 3.17Å; L88-L91 PolarHBondContact O-N 3.05Å; L88-L91 VanDerWaalsContact O-N 3.15Å; Q89-L91 VanDerWaalsContact C-N 3.33Å; L91-P93 VanDerWaalsContact C-CD 3.46Å; L91-Y94 WeakPolarHBondContact O-CA 3.46Å; L91-Y94 WeakPolarHBondContact O-CB 3.45Å; L91-Y94 PolarHBondContact O-N 2.81Å; L91-W95 HydrophobicContact CB-CD2 4.45Å; L91-W95 HydrophobicContact CB-CZ2 4.15Å; L91-W95 HydrophobicContact CD1-CZ2 4.14Å; L91-W95 PolarHBondContact O-N 3.46Å; L91-W95 VanDerWaalsContact O-N 3.12Å; L91-L100 HydrophobicContact CD2-CD2 4.21Å |
| 92 | L | 81.9 | Confident | 82 | Confident | 32 Ų | 32 | 78.9 Ų | 78.9 | 17% | 0.168 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -53.4 | -42.6 | -178.4 | -159.2 | 67.5 | 0 | 0 | 0 | 114.5 | P16 L88 Q89 Y94 W95 T96 M104 I106 | P16-L92 HydrophobicContact CB-CD1 3.49Å; P16-L92 VanDerWaalsContact CB-CD1 3.49Å; P16-L92 HydrophobicContact CB-CD2 4.06Å; P16-L92 HydrophobicContact CB-CG 3.84Å; P16-L92 HydrophobicContact CG-CD1 4.22Å; L88-L92 PolarHBondContact O-N 3.13Å; Q89-L92 WeakPolarHBondContact O-CB 3.45Å; Q89-L92 PolarHBondContact O-N 2.8Å; L92-Y94 VanDerWaalsContact C-N 3.26Å; L92-Y94 PolarHBondContact O-N 2.8Å; L92-W95 HydrophobicContact CD1-CE3 4.17Å; L92-W95 PolarHBondContact O-N 2.83Å; L92-T96 WeakPolarHBondContact O-CG2 3.38Å; L92-T96 PolarHBondContact O-N 2.72Å; L92-T96 PolarHBondContact O-OG1 3.22Å; L92-M104 HydrophobicContact CB-CE 3.67Å; L92-M104 HydrophobicContact CD2-CE 3.7Å; L92-M104 HydrophobicContact CD2-SD 4.19Å; L92-M104 HydrophobicContact CG-CE 3.73Å; L92-I106 HydrophobicContact CB-CD1 4.16Å; L92-I106 HydrophobicContact CD2-CD1 3.58Å; L92-I106 HydrophobicContact CD2-CG1 4.17Å |
| 93 | P | 80.4 | Confident | 81.1 | Confident | 11 Ų | 11 | 87.1 Ų | 87.1 | 7% | 0.071 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -55.1 | -40.2 | 172.4 | -26.1 | 34.4 | 0 | 0 | 0 | 113.4 | Q89 K90 L91 T96 E97 K99 V102 M104 | Q89-P93 WeakPolarHBondContact O-CD 3.33Å; K90-P93 WeakPolarHBondContact O-CD 3.37Å; L91-P93 VanDerWaalsContact C-CD 3.46Å; P93-T96 WeakPolarHBondContact CA-OG1 3.4Å; P93-T96 PolarHBondContact O-N 3.19Å; P93-T96 PolarHBondContact O-OG1 3.06Å; P93-T96 VanDerWaalsContact O-OG1 3.06Å; P93-E97 PolarHBondContact O-N 2.87Å; P93-K99 CarbonylContact C-O 3.47Å; P93-K99 VanDerWaalsContact CB-O 3.24Å; P93-K99 WeakPolarHBondContact CB-O 3.44Å; P93-K99 VanDerWaalsContact O-O 3.1Å; P93-V102 HydrophobicContact CB-CB 4.13Å; P93-V102 HydrophobicContact CB-CG2 4.37Å; P93-M104 HydrophobicContact CB-CE 4.33Å; P93-M104 HydrophobicContact CG-CE 3.67Å |
| 94 | Y | 83.8 | Confident | 80.3 | Confident | 126 Ų | 126 | 85.8 Ų | 85.8 | 49% | 0.494 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -69.3 | -39.8 | 179.8 | 176 | -101.2 | 0 | 0 | 0 | 111.6 | L91 L92 T96 G98 K99 L100 | L91-Y94 WeakPolarHBondContact O-CA 3.46Å; L91-Y94 WeakPolarHBondContact O-CB 3.45Å; L91-Y94 PolarHBondContact O-N 2.81Å; L92-Y94 VanDerWaalsContact C-N 3.26Å; L92-Y94 PolarHBondContact O-N 2.8Å; Y94-T96 VanDerWaalsContact C-N 3.3Å; Y94-T96 PolarHBondContact O-N 3.36Å; Y94-G98 WeakPolarHBondContact O-CA 3.36Å; Y94-G98 PolarHBondContact O-N 3.27Å; Y94-K99 PolarHBondContact N-O 3.4Å; Y94-L100 HydrophobicContact CD2-CG 4.34Å; Y94-L100 HydrophobicContact CG-CD2 4.35Å; Y94-L100 HydrophobicContact CG-CG 4.46Å |
| 95 | W | 79 | Confident | 79.9 | Confident | 150 Ų | 150 | 84 Ų | 84 | 57% | 0.568 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -71.5 | -23.2 | 176.8 | -62.9 | -22.6 | 0 | 0 | 0 | 114.2 | L88 L91 L92 | L88-W95 HydrophobicContact CD2-CH2 3.51Å; L88-W95 HydrophobicContact CD2-CZ3 4.06Å; L91-W95 HydrophobicContact CB-CD2 4.45Å; L91-W95 HydrophobicContact CB-CZ2 4.15Å; L91-W95 HydrophobicContact CD1-CZ2 4.14Å; L91-W95 PolarHBondContact O-N 3.46Å; L91-W95 VanDerWaalsContact O-N 3.12Å; L92-W95 HydrophobicContact CD1-CE3 4.17Å; L92-W95 PolarHBondContact O-N 2.83Å |
| 96 | T | 78.9 | Confident | 79.8 | Confident | 23 Ų | 23 | 84 Ų | 84 | 14% | 0.141 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -90.5 | -46.7 | 179.9 | 42.5 | 0 | 0 | 0 | 0 | 112.5 | P16 L92 P93 Y94 | P16-T96 HydrophobicContact CB-CG2 3.45Å; P16-T96 VanDerWaalsContact CB-CG2 3.45Å; P16-T96 HydrophobicContact CG-CG2 3.66Å; L92-T96 WeakPolarHBondContact O-CG2 3.38Å; L92-T96 PolarHBondContact O-N 2.72Å; L92-T96 PolarHBondContact O-OG1 3.22Å; P93-T96 WeakPolarHBondContact CA-OG1 3.4Å; P93-T96 PolarHBondContact O-N 3.19Å; P93-T96 PolarHBondContact O-OG1 3.06Å; P93-T96 VanDerWaalsContact O-OG1 3.06Å; Y94-T96 VanDerWaalsContact C-N 3.3Å; Y94-T96 PolarHBondContact O-N 3.36Å |
| 97 | E | 79.9 | Confident | 79.8 | Confident | 87 Ų | 87 | 87 Ų | 87 | 41% | 0.407 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -120.6 | 3.5 | -168.5 | -69.1 | -70.8 | 133 | 0 | 0 | 113 | Y20 P93 K99 V102 | Y20-E97 HydrophobicContact CD1-CG 4.18Å; Y20-E97 WeakPolarHBondContact CD1-OE1 3.37Å; Y20-E97 VanDerWaalsContact CE1-CD 3.46Å; Y20-E97 HydrophobicContact CE1-CG 3.92Å; Y20-E97 WeakPolarHBondContact CE1-OE1 3.33Å; P93-E97 PolarHBondContact O-N 2.87Å; E97-K99 PolarHBondContact O-N 3.06Å; E97-K99 VanDerWaalsContact O-N 3.13Å; E97-V102 HydrophobicContact CB-CG2 3.75Å; E97-V102 HydrophobicContact CG-CG1 4.3Å; E97-V102 HydrophobicContact CG-CG2 4.07Å |
| 98 | G | 80.9 | Confident | 79.8 | Confident | 51 Ų | 51 | 85.6 Ų | 85.6 | 53% | 0.526 | 40% | 0.4 | S | S | . | . | S | Bend | trans | 67.8 | 7.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y94 | Y94-G98 WeakPolarHBondContact O-CA 3.36Å; Y94-G98 PolarHBondContact O-N 3.27Å |
| 99 | K | 77.2 | Confident | 80.2 | Confident | 142 Ų | 142 | 82.1 Ų | 82.1 | 62% | 0.617 | 38% | 0.382 | S | S | * | . | trans | -128.9 | 129.5 | -175.4 | -66.7 | 178.1 | -175.2 | 174.6 | 0 | 110.8 | P93 Y94 E97 K101 V102 | P93-K99 CarbonylContact C-O 3.47Å; P93-K99 VanDerWaalsContact CB-O 3.24Å; P93-K99 WeakPolarHBondContact CB-O 3.44Å; P93-K99 VanDerWaalsContact O-O 3.1Å; Y94-K99 PolarHBondContact N-O 3.4Å; E97-K99 PolarHBondContact O-N 3.06Å; E97-K99 VanDerWaalsContact O-N 3.13Å; K99-K101 VanDerWaalsContact C-N 3.3Å; K99-K101 PolarHBondContact O-N 2.92Å; K99-V102 HydrophobicContact CB-CG2 3.82Å | ||
| 100 | L | 70.2 | Confident | 80.7 | Confident | 111 Ų | 111 | 80.5 Ų | 80.5 | 58% | 0.581 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -68.5 | -28.2 | 176.6 | -74.8 | 165.7 | 0 | 0 | 0 | 113.2 | L91 Y94 | L91-L100 HydrophobicContact CD2-CD2 4.21Å; Y94-L100 HydrophobicContact CD2-CG 4.34Å; Y94-L100 HydrophobicContact CG-CD2 4.35Å; Y94-L100 HydrophobicContact CG-CG 4.46Å |
| 101 | K | 69.4 | Low | 81.1 | Confident | 201 Ų | 201 | 76.2 Ų | 76.2 | 87% | 0.874 | 35% | 0.354 | S | S | * | . | trans | -106.4 | 83 | -179.7 | -68.3 | -173.8 | -178.3 | 179.6 | 0 | 110.4 | K99 | K99-K101 VanDerWaalsContact C-N 3.3Å; K99-K101 PolarHBondContact O-N 2.92Å | ||
| 102 | V | 71.6 | Confident | 81.4 | Confident | 31 Ų | 31 | 78.5 Ų | 78.5 | 19% | 0.188 | 36% | 0.358 | C | S | . | . | trans | -117.7 | 145.8 | 167.8 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | Y20 P93 E97 K99 M104 | Y20-V102 HydrophobicContact CD2-CG1 3.8Å; Y20-V102 HydrophobicContact CE2-CB 4.48Å; Y20-V102 HydrophobicContact CE2-CG1 3.06Å; P93-V102 HydrophobicContact CB-CB 4.13Å; P93-V102 HydrophobicContact CB-CG2 4.37Å; E97-V102 HydrophobicContact CB-CG2 3.75Å; E97-V102 HydrophobicContact CG-CG1 4.3Å; E97-V102 HydrophobicContact CG-CG2 4.07Å; K99-V102 HydrophobicContact CB-CG2 3.82Å; V102-M104 PolarHBondContact O-N 3.31Å | ||
| 103 | R | 70.6 | Confident | 82 | Confident | 230 Ų | 230 | 77.2 Ų | 77.2 | 87% | 0.868 | 35% | 0.352 | S | S | * | . | trans | -72 | 69.2 | 174.4 | -167.5 | -178.3 | -179.7 | 170.4 | 1.9 | 110.1 | S23 | S23-R103 WeakPolarHBondContact CB-O 3.2Š| ||
| 104 | M | 76.4 | Confident | 82.7 | Confident | 26 Ų | 26 | 77.4 Ų | 77.4 | 13% | 0.128 | 35% | 0.352 | C | S | . | . | trans | -110.5 | 120.7 | 171.3 | -172.6 | 170.8 | 54 | 0 | 0 | 108.6 | V19 Y20 L92 P93 V102 I106 | V19-M104 HydrophobicContact CG1-CG 4.48Å; V19-M104 HydrophobicContact CG1-SD 4.12Å; Y20-M104 HydrophobicContact CD2-CB 4.15Å; Y20-M104 HydrophobicContact CD2-CG 4.41Å; Y20-M104 HydrophobicContact CD2-SD 4.49Å; L92-M104 HydrophobicContact CB-CE 3.67Å; L92-M104 HydrophobicContact CD2-CE 3.7Å; L92-M104 HydrophobicContact CD2-SD 4.19Å; L92-M104 HydrophobicContact CG-CE 3.73Å; P93-M104 HydrophobicContact CB-CE 4.33Å; P93-M104 HydrophobicContact CG-CE 3.67Å; V102-M104 PolarHBondContact O-N 3.31Å; M104-I106 HydrophobicContact CE-CD1 4.1Å; M104-I106 HydrophobicContact CE-CG1 4.16Å; M104-I106 HydrophobicContact CG-CG1 4.17Å; M104-I106 HydrophobicContact SD-CG1 4.34Å | ||
| 105 | N | 80 | Confident | 83.2 | Confident | 65 Ų | 65 | 71.4 Ų | 71.4 | 35% | 0.348 | 33% | 0.329 | S | S | . | . | trans | -111.9 | 90.4 | 174.8 | -169.5 | -14.7 | 0 | 0 | 0 | 109.8 | S23 K107 D108 F109 | S23-N105 PolarHBondContact OG-N 3.43Å; N105-K107 PolarHBondContact O-N 2.87Å; N105-K107 WeakPolarHBondContact OD1-CB 3.48Å; N105-K107 PolarHBondContact OD1-N 3.47Å; N105-K107 VanDerWaalsContact OD1-N 3.16Å; N105-D108 HydrophobicContact CB-CB 3.93Å; N105-D108 PolarHBondContact ND2-OD1 3.48Å; N105-D108 PolarHBondContact ND2-OD2 3.27Å; N105-D108 PolarHBondContact O-N 3.2Å; N105-D108 VanDerWaalsContact O-N 3.07Å; N105-D108 PolarHBondContact OD1-N 3.02Å; N105-F109 PolarHBondContact O-N 3.33Å | ||
| 106 | I | 84.3 | Confident | 84 | Confident | 18 Ų | 18 | 64.4 Ų | 64.4 | 9% | 0.092 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.1 | -34 | -179.5 | -59.2 | 169.4 | 0 | 0 | 0 | 111.1 | V19 Q89 L92 M104 F109 H110 | V19-I106 HydrophobicContact CG1-CG1 4.3Å; Q89-I106 HydrophobicContact CB-CD1 3.68Å; Q89-I106 HydrophobicContact CG-CD1 3.75Å; Q89-I106 HydrophobicContact CG-CG2 4.32Å; Q89-I106 WeakPolarHBondContact O-CD1 3.24Å; L92-I106 HydrophobicContact CB-CD1 4.16Å; L92-I106 HydrophobicContact CD2-CD1 3.58Å; L92-I106 HydrophobicContact CD2-CG1 4.17Å; M104-I106 HydrophobicContact CE-CD1 4.1Å; M104-I106 HydrophobicContact CE-CG1 4.16Å; M104-I106 HydrophobicContact CG-CG1 4.17Å; M104-I106 HydrophobicContact SD-CG1 4.34Å; I106-F109 WeakPolarHBondContact O-CB 3.34Å; I106-F109 PolarHBondContact O-N 2.89Å; I106-H110 PolarHBondContact O-CD2 3.22Å; I106-H110 PolarHBondContact O-N 3.44Å |
| 107 | K | 87.8 | Confident | 84.7 | Confident | 112 Ų | 112 | 63.7 Ų | 63.7 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 175.6 | -63.6 | -172.9 | 179.3 | -179.7 | 0 | 110.6 | L45 N105 F109 H110 R111 | L45-K107 HydrophobicContact CD1-CG 4.49Å; L45-K107 HydrophobicContact CD2-CB 4.01Å; L45-K107 HydrophobicContact CD2-CD 4.12Å; L45-K107 HydrophobicContact CD2-CG 3.81Å; N105-K107 PolarHBondContact O-N 2.87Å; N105-K107 WeakPolarHBondContact OD1-CB 3.48Å; N105-K107 PolarHBondContact OD1-N 3.47Å; N105-K107 VanDerWaalsContact OD1-N 3.16Å; K107-F109 VanDerWaalsContact C-N 3.3Å; K107-F109 PolarHBondContact O-N 3.46Å; K107-H110 PolarHBondContact O-N 3.05Å; K107-R111 WeakPolarHBondContact O-CB 3.38Å; K107-R111 WeakPolarHBondContact O-CG 3.36Å; K107-R111 PolarHBondContact O-N 2.96Å |
| 108 | D | 89.1 | Confident | 85.4 | Confident | 50 Ų | 50 | 59.6 Ų | 59.6 | 27% | 0.267 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.6 | -31.4 | 179.8 | -71.2 | -4.4 | 0 | 0 | 0 | 112.5 | N105 R111 R112 | N105-D108 HydrophobicContact CB-CB 3.93Å; N105-D108 PolarHBondContact ND2-OD1 3.48Å; N105-D108 PolarHBondContact ND2-OD2 3.27Å; N105-D108 PolarHBondContact O-N 3.2Å; N105-D108 VanDerWaalsContact O-N 3.07Å; N105-D108 PolarHBondContact OD1-N 3.02Å; D108-R111 PolarHBondContact O-N 3.27Å; D108-R112 VanDerWaalsContact O-CB 3.26Å; D108-R112 WeakPolarHBondContact O-CB 3.49Å; D108-R112 WeakPolarHBondContact O-CG 3.35Å; D108-R112 PolarHBondContact O-N 2.95Å |
| 109 | F | 91.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -54.8 | -53.7 | 171.2 | 166.2 | -102.9 | 0 | 0 | 0 | 110.8 | V10 N12 V19 T22 W30 D32 N105 I106 K107 A113 | V10-F109 HydrophobicContact CB-CE2 3.74Å; V10-F109 HydrophobicContact CB-CZ 3.83Å; V10-F109 HydrophobicContact CG1-CE2 3.63Å; V10-F109 HydrophobicContact CG1-CZ 3.63Å; V10-F109 HydrophobicContact CG2-CE2 4.13Å; N12-F109 HydrophobicContact CB-CE1 3.7Å; N12-F109 HydrophobicContact CB-CZ 4.16Å; V19-F109 HydrophobicContact CB-CD2 4.46Å; V19-F109 HydrophobicContact CB-CG 4.41Å; V19-F109 HydrophobicContact CG1-CB 3.89Å; V19-F109 HydrophobicContact CG1-CD1 4.05Å; V19-F109 HydrophobicContact CG1-CD2 4.24Å; V19-F109 HydrophobicContact CG1-CG 3.78Å; V19-F109 HydrophobicContact CG2-CD1 4.1Å; V19-F109 HydrophobicContact CG2-CD2 4.39Å; V19-F109 HydrophobicContact CG2-CE1 3.96Å; V19-F109 HydrophobicContact CG2-CE2 4.22Å; V19-F109 HydrophobicContact CG2-CG 4.32Å; V19-F109 HydrophobicContact CG2-CZ 4.01Å; T22-F109 HydrophobicContact CG2-CD2 4.02Å; T22-F109 HydrophobicContact CG2-CE2 4.15Å; T22-F109 VanDerWaalsContact OG1-CD2 3.28Å; T22-F109 WeakPolarHBondContact OG1-CD2 3.48Å; W30-F109 AromaticContact CD1-CD2 3.71Å; W30-F109 AromaticContact CD1-CE2 3.43Å; W30-F109 VanDerWaalsContact CD1-CE2 3.43Å; W30-F109 HydrophobicContact CG-CE2 4.38Å; W30-F109 AromaticContact NE1-CD2 3.28Å; W30-F109 VanDerWaalsContact NE1-CD2 3.28Å; W30-F109 AromaticContact NE1-CE2 3.51Å; W30-F109 PolarHBondContact NE1-O 3.04Å; D32-F109 HydrophobicContact CB-CE1 4.2Å; D32-F109 HydrophobicContact CB-CZ 4.09Å; D32-F109 WeakPolarHBondContact OD1-CE1 3.42Å; N105-F109 PolarHBondContact O-N 3.33Å; I106-F109 WeakPolarHBondContact O-CB 3.34Å; I106-F109 PolarHBondContact O-N 2.89Å; K107-F109 VanDerWaalsContact C-N 3.3Å; K107-F109 PolarHBondContact O-N 3.46Å; F109-A113 WeakPolarHBondContact O-CB 3.47Å; F109-A113 PolarHBondContact O-N 2.75Å |
| 110 | H | 92.9 | Very high | 86.5 | Confident | 10 Ų | 10 | 50.5 Ų | 50.5 | 5% | 0.046 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.5 | -38.5 | 179.3 | -62.3 | -64.3 | 0 | 0 | 0 | 112.8 | D32 L45 R46 I106 K107 | D32-H110 IonicContact OD1-ND1 3.53Å; D32-H110 IonicContact OD2-CE1 3.58Å; D32-H110 IonicContact OD2-CG 3.8Å; D32-H110 IonicContact OD2-ND1 2.73Å; D32-H110 PolarHBondContact OD2-ND1 3.16Å; L45-H110 HydrophobicContact CB-CB 4.08Å; L45-H110 HydrophobicContact CD1-CB 4.03Å; R46-H110 WeakPolarHBondContact CG-O 3.23Å; R46-H110 PolarHBondContact NH1-O 2.75Å; I106-H110 PolarHBondContact O-CD2 3.22Å; I106-H110 PolarHBondContact O-N 3.44Å; K107-H110 PolarHBondContact O-N 3.05Å |
| 111 | R | 92.1 | Very high | 87.4 | Confident | 62 Ų | 62 | 45.5 Ų | 45.5 | 23% | 0.234 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.9 | -35.2 | -176.6 | -71 | 169.8 | 90 | -172.9 | 10.8 | 113.5 | L45 K107 D108 V345 D346 | L45-R111 HydrophobicContact CB-CG 4.46Å; L45-R111 WeakPolarHBondContact O-CG 3.24Å; K107-R111 WeakPolarHBondContact O-CB 3.38Å; K107-R111 WeakPolarHBondContact O-CG 3.36Å; K107-R111 PolarHBondContact O-N 2.96Å; D108-R111 PolarHBondContact O-N 3.27Å; R111-V345 HydrophobicContact CB-CG1 3.7Å; R111-V345 HydrophobicContact CG-CG1 3.83Å; R111-V345 PolarHBondContact NE-O 3.46Å; R111-V345 PolarHBondContact NH2-O 2.95Å; R111-D346 VanDerWaalsContact NH2-C 3.28Å; R111-D346 VanDerWaalsContact NH2-CA 3.31Å; R111-D346 PolarHBondContact NH2-O 3.39Å |
| 112 | R | 91.4 | Very high | 88.3 | Confident | 111 Ų | 111 | 38.4 Ų | 38.4 | 42% | 0.419 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -98.1 | -11.4 | -174.7 | -60.7 | -173.7 | -62.5 | 139.7 | 1.6 | 114 | T22 W30 D108 I114 | T22-R112 PolarHBondContact O-NH2 2.66Å; W30-R112 HydrophobicContact CH2-CB 3.67Å; W30-R112 VanDerWaalsContact CH2-CZ 3.45Å; W30-R112 HydrophobicContact CZ2-CB 3.63Å; D108-R112 VanDerWaalsContact O-CB 3.26Å; D108-R112 WeakPolarHBondContact O-CB 3.49Å; D108-R112 WeakPolarHBondContact O-CG 3.35Å; D108-R112 PolarHBondContact O-N 2.95Å; R112-I114 PolarHBondContact O-N 3.33Å |
| 113 | A | 94 | Very high | 89.2 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.033 | 19% | 0.188 | C | C | . | . | trans | -54.9 | 135.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | W30 D32 R46 F109 Y115 | W30-A113 CarbonylContact O-C 3.27Å; W30-A113 WeakPolarHBondContact O-CA 3.16Å; D32-A113 HydrophobicContact CB-CB 3.56Å; R46-A113 PolarHBondContact NH1-O 2.71Å; R46-A113 PolarHBondContact NH2-O 2.78Å; F109-A113 WeakPolarHBondContact O-CB 3.47Å; F109-A113 PolarHBondContact O-N 2.75Å; A113-Y115 VanDerWaalsContact C-N 3.27Å; A113-Y115 PolarHBondContact O-N 2.81Å | ||
| 114 | I | 95 | Very high | 90.3 | Very high | 16 Ų | 16 | 31 Ų | 31 | 8% | 0.082 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -61.7 | -41.7 | -176.7 | 64 | 170.6 | 0 | 0 | 0 | 110.7 | L7 W30 I31 R112 Y330 A337 | L7-I114 HydrophobicContact CD1-CD1 3.42Å; L7-I114 VanDerWaalsContact CD1-CD1 3.42Å; L7-I114 HydrophobicContact CD1-CG1 4.29Å; L7-I114 HydrophobicContact CD2-CD1 4.42Å; W30-I114 WeakPolarHBondContact O-CG1 3.38Å; W30-I114 PolarHBondContact O-N 3.03Å; I31-I114 HydrophobicContact CD1-CD1 4.4Å; I31-I114 HydrophobicContact CG1-CD1 3.87Å; I31-I114 HydrophobicContact CG1-CG1 3.74Å; R112-I114 PolarHBondContact O-N 3.33Å; I114-Y330 HydrophobicContact CB-CD2 4.3Å; I114-Y330 HydrophobicContact CB-CE2 4.17Å; I114-Y330 HydrophobicContact CD1-CD1 3.4Å; I114-Y330 VanDerWaalsContact CD1-CD1 3.4Å; I114-Y330 HydrophobicContact CD1-CD2 3.61Å; I114-Y330 HydrophobicContact CD1-CE1 3.7Å; I114-Y330 HydrophobicContact CD1-CE2 3.89Å; I114-Y330 HydrophobicContact CD1-CG 3.37Å; I114-Y330 HydrophobicContact CG2-CD2 4.32Å; I114-Y330 HydrophobicContact CG2-CE2 3.7Å; I114-A337 HydrophobicContact CB-CB 3.97Å; I114-A337 HydrophobicContact CG2-CB 4.19Å |
| 115 | Y | 95.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -136.5 | 155.6 | 175.4 | -57.1 | -50.3 | 0 | 0 | 0 | 109.8 | I31 D32 A113 F117 N133 F135 W326 M340 | I31-Y115 HydrophobicContact CD1-CD2 4.22Å; I31-Y115 HydrophobicContact CG1-CD2 4.31Å; D32-Y115 PolarHBondContact N-O 2.86Å; A113-Y115 VanDerWaalsContact C-N 3.27Å; A113-Y115 PolarHBondContact O-N 2.81Å; Y115-F117 VanDerWaalsContact CB-CE1 3.42Å; Y115-F117 HydrophobicContact CD2-CE1 4.12Å; Y115-F117 HydrophobicContact CD2-CZ 4.08Å; Y115-F117 AromaticContact CG-CE1 3.97Å; Y115-F117 HydrophobicContact CG-CE1 3.97Å; Y115-F117 HydrophobicContact CG-CZ 4.38Å; Y115-N133 CarbonylContact C-O 3.09Å; Y115-N133 VanDerWaalsContact CA-O 3.25Å; Y115-N133 WeakPolarHBondContact CA-O 3.36Å; Y115-N133 HydrophobicContact CD1-CB 3.97Å; Y115-N133 HydrophobicContact CE1-CB 4.47Å; Y115-F135 HydrophobicContact CD1-CE1 4.27Å; Y115-F135 HydrophobicContact CG-CE1 4.47Å; Y115-W326 HydrophobicContact CE1-CE3 4.25Å; Y115-W326 HydrophobicContact CE2-CB 4.25Å; Y115-W326 HydrophobicContact CE2-CE3 4.49Å; Y115-W326 WeakPolarHBondContact CE2-O 3.14Å; Y115-W326 AromaticContact CZ-CE3 3.91Å; Y115-M340 HydrophobicContact CE1-SD 3.9Å | ||
| 116 | A | 95.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 2% | 0.017 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 125.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | D32 R46 N133 T134 F135 | D32-A116 HydrophobicContact CB-CB 4.11Å; D32-A116 CarbonylContact O-C 3.42Å; D32-A116 WeakPolarHBondContact O-CA 3.39Å; R46-A116 VanDerWaalsContact NE-CB 3.34Å; A116-N133 PolarHBondContact N-O 3.2Å; A116-T134 HydrophobicContact CB-CG2 3.9Å; A116-T134 CarbonylContact O-C 3.6Å; A116-T134 WeakPolarHBondContact O-CA 3.39Å; A116-F135 PolarHBondContact O-N 3.37Å |
| 117 | F | 94.1 | Very high | 91.4 | Very high | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.1 | -176.8 | -65.5 | -12.2 | 0 | 0 | 0 | 109.7 | I31 D32 Y33 S34 Y115 F135 I137 W326 | I31-F117 HydrophobicContact CD1-CE2 3.75Å; I31-F117 HydrophobicContact CD1-CZ 3.82Å; I31-F117 HydrophobicContact CG2-CD1 4.33Å; I31-F117 HydrophobicContact CG2-CD2 3.49Å; I31-F117 VanDerWaalsContact CG2-CD2 3.49Å; I31-F117 HydrophobicContact CG2-CE1 4.34Å; I31-F117 HydrophobicContact CG2-CE2 3.59Å; I31-F117 HydrophobicContact CG2-CG 3.91Å; I31-F117 HydrophobicContact CG2-CZ 4.02Å; D32-F117 PolarHBondContact O-N 2.76Å; Y33-F117 HydrophobicContact CD2-CB 3.57Å; Y33-F117 HydrophobicContact CD2-CD2 4.47Å; Y33-F117 HydrophobicContact CE2-CB 4.21Å; S34-F117 PolarHBondContact N-O 3.06Å; Y115-F117 VanDerWaalsContact CB-CE1 3.42Å; Y115-F117 HydrophobicContact CD2-CE1 4.12Å; Y115-F117 HydrophobicContact CD2-CZ 4.08Å; Y115-F117 AromaticContact CG-CE1 3.97Å; Y115-F117 HydrophobicContact CG-CE1 3.97Å; Y115-F117 HydrophobicContact CG-CZ 4.38Å; F117-F135 VanDerWaalsContact CA-O 3.3Å; F117-F135 WeakPolarHBondContact CA-O 3.33Å; F117-F135 HydrophobicContact CD1-CD2 4.25Å; F117-F135 HydrophobicContact CD1-CE1 4.3Å; F117-F135 AromaticContact CD1-CE2 3.7Å; F117-F135 HydrophobicContact CD1-CE2 3.7Å; F117-F135 AromaticContact CD1-CZ 3.74Å; F117-F135 HydrophobicContact CD1-CZ 3.74Å; F117-F135 HydrophobicContact CE1-CD2 4.45Å; F117-F135 AromaticContact CE1-CE1 3.84Å; F117-F135 HydrophobicContact CE1-CE1 3.84Å; F117-F135 AromaticContact CE1-CE2 3.52Å; F117-F135 HydrophobicContact CE1-CE2 3.52Å; F117-F135 AromaticContact CE1-CZ 3.16Å; F117-F135 HydrophobicContact CE1-CZ 3.16Å; F117-F135 HydrophobicContact CZ-CE2 4.38Å; F117-F135 HydrophobicContact CZ-CZ 4.05Å; F117-I137 HydrophobicContact CB-CD1 4.19Å; F117-I137 HydrophobicContact CB-CG1 4.49Å; F117-I137 HydrophobicContact CD1-CD1 3.76Å; F117-I137 HydrophobicContact CD1-CG1 4.33Å; F117-I137 HydrophobicContact CD2-CD1 3.31Å; F117-I137 HydrophobicContact CD2-CG1 4.41Å; F117-I137 HydrophobicContact CE1-CD1 3.92Å; F117-I137 HydrophobicContact CE2-CD1 3.43Å; F117-I137 VanDerWaalsContact CE2-CD1 3.43Å; F117-I137 HydrophobicContact CG-CD1 3.47Å; F117-I137 VanDerWaalsContact CG-CD1 3.47Å; F117-I137 HydrophobicContact CG-CG1 4.16Å; F117-I137 HydrophobicContact CZ-CD1 3.75Å; F117-W326 HydrophobicContact CZ-CB 4.39Å |
| 118 | G | 93.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 150.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T38 F135 T136 I137 | T38-G118 WeakPolarHBondContact OG1-CA 3.33Å; G118-F135 PolarHBondContact N-O 3.31Å; G118-T136 CarbonylContact O-C 3.6Å; G118-T136 WeakPolarHBondContact O-CA 3.3Å; G118-T136 WeakPolarHBondContact O-CB 3.41Å; G118-I137 CarbonylContact O-C 3.49Å; G118-I137 PolarHBondContact O-N 3.17Å |
| 119 | S | 91.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -102.9 | 25.7 | -171.8 | -55.8 | 0 | 0 | 0 | 0 | 115.1 | Y33 S34 T36 I137 Y139 I240 | Y33-S119 VanDerWaalsContact CE2-OG 3.29Å; Y33-S119 WeakPolarHBondContact CE2-OG 3.49Å; Y33-S119 PolarHBondContact OH-OG 3.24Å; S34-S119 PolarHBondContact O-N 3.22Å; S34-S119 PolarHBondContact O-OG 3.44Å; T36-S119 PolarHBondContact O-N 2.61Å; S119-I137 WeakPolarHBondContact CA-O 3.45Å; S119-Y139 VanDerWaalsContact CB-CE2 3.43Å; S119-I240 WeakPolarHBondContact O-CD1 3.49Å |
| 120 | M | 90.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -118.6 | 123.3 | 174.9 | -165.3 | 169.5 | -88.6 | 0 | 0 | 110.4 | D125 T136 I240 L243 N265 L268 | M120-D125 HydrophobicContact CB-CB 4.33Å; M120-D125 HydrophobicContact CG-CB 3.77Å; M120-D125 HydrophobicContact SD-CB 3.65Å; M120-D125 VanDerWaalsContact SD-OD1 3.41Å; M120-T136 WeakPolarHBondContact O-CB 3.47Å; M120-T136 WeakPolarHBondContact O-CG2 3.41Å; M120-I240 HydrophobicContact CB-CD1 3.97Å; M120-I240 HydrophobicContact CE-CD1 3.99Å; M120-I240 HydrophobicContact CE-CG1 3.95Å; M120-L243 HydrophobicContact CE-CD2 4.44Å; M120-N265 VanDerWaalsContact CE-OD1 3.22Å; M120-N265 WeakPolarHBondContact CE-OD1 3.17Å; M120-L268 HydrophobicContact CE-CD2 4.42Å; M120-L268 HydrophobicContact SD-CD2 4.17Å |
| 121 | S | 89.5 | Confident | 91.1 | Very high | 5 Ų | 5 | 32.5 Ų | 32.5 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | trans | -57.6 | 137 | 174.7 | 165 | 0 | 0 | 0 | 0 | 111.4 | M123 L124 D125 D138 | S121-M123 PolarHBondContact O-N 2.93Å; S121-M123 PolarHBondContact OG-N 3.22Å; S121-M123 VanDerWaalsContact OG-N 3.17Å; S121-L124 CarbonylContact O-C 3.58Å; S121-L124 WeakPolarHBondContact O-CA 3.24Å; S121-L124 PolarHBondContact O-N 2.96Å; S121-D125 PolarHBondContact O-N 3.35Å; S121-D138 WeakPolarHBondContact CB-OD2 3.17Å | ||
| 122 | P | 89.3 | Confident | 91.2 | Very high | 52 Ų | 52 | 32.4 Ų | 32.4 | 34% | 0.338 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -21.5 | 176.2 | -20.4 | 34.7 | 0 | 0 | 0 | 113.3 | L124 T136 | P122-L124 VanDerWaalsContact C-N 3.28Å; P122-T136 VanDerWaalsContact CD-OG1 3.29Å; P122-T136 WeakPolarHBondContact CD-OG1 3.29Å; P122-T136 HydrophobicContact CG-CG2 4.44Å; P122-T136 WeakPolarHBondContact CG-OG1 3.15Å |
| 123 | M | 90.3 | Very high | 91.3 | Very high | 102 Ų | 102 | 27.3 Ų | 27.3 | 50% | 0.502 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -31.6 | 172.7 | -61.1 | -59.5 | 123.3 | 0 | 0 | 111.2 | S121 R272 T312 | S121-M123 PolarHBondContact O-N 2.93Å; S121-M123 PolarHBondContact OG-N 3.22Å; S121-M123 VanDerWaalsContact OG-N 3.17Å; M123-R272 PolarHBondContact O-NH2 3.34Å; M123-T312 HydrophobicContact CB-CG2 4.01Å |
| 124 | L | 92.2 | Very high | 91.3 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -22.3 | 177.3 | -176 | 63.2 | 0 | 0 | 0 | 113.2 | S121 P122 L243 V247 L268 R272 L274 M308 T312 | S121-L124 CarbonylContact O-C 3.58Å; S121-L124 WeakPolarHBondContact O-CA 3.24Å; S121-L124 PolarHBondContact O-N 2.96Å; P122-L124 VanDerWaalsContact C-N 3.28Å; L124-L243 HydrophobicContact CD2-CD2 4.39Å; L124-L243 HydrophobicContact CD2-CG 4.2Å; L124-V247 HydrophobicContact CD1-CG2 3.91Å; L124-V247 HydrophobicContact CD2-CG2 4Å; L124-L268 HydrophobicContact CD1-CD2 4.27Å; L124-L268 HydrophobicContact CG-CD2 4.2Å; L124-L268 WeakPolarHBondContact O-CD1 3.33Å; L124-L268 WeakPolarHBondContact O-CD2 3.48Å; L124-L268 WeakPolarHBondContact O-CG 3.29Å; L124-R272 PolarHBondContact O-NH1 3.46Å; L124-R272 PolarHBondContact O-NH2 2.96Å; L124-L274 HydrophobicContact CD1-CD1 4.1Å; L124-M308 HydrophobicContact CB-SD 4.39Å; L124-M308 HydrophobicContact CD1-CG 4.07Å; L124-M308 HydrophobicContact CD1-SD 4.13Å; L124-T312 HydrophobicContact CB-CG2 4.13Å |
| 125 | D | 90.6 | Very high | 91.1 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 3% | 0.032 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -81.7 | 171.2 | 177.8 | -155.2 | -5.6 | 0 | 0 | 0 | 111.3 | M120 S121 R264 R272 | M120-D125 HydrophobicContact CB-CB 4.33Å; M120-D125 HydrophobicContact CG-CB 3.77Å; M120-D125 HydrophobicContact SD-CB 3.65Å; M120-D125 VanDerWaalsContact SD-OD1 3.41Å; S121-D125 PolarHBondContact O-N 3.35Å; D125-R264 IonicContact OD1-CZ 3.93Å; D125-R264 VanDerWaalsContact OD1-CZ 3.24Å; D125-R264 IonicContact OD1-NH1 3.5Å; D125-R264 PolarHBondContact OD1-NH1 3.11Å; D125-R264 IonicContact OD1-NH2 3.77Å; D125-R264 PolarHBondContact OD1-NH2 3.03Å; D125-R264 IonicContact OD2-NH2 3.29Å; D125-R272 PolarHBondContact O-NH2 3.09Å |
| 126 | F | 87.7 | Confident | 90.9 | Very high | 20 Ų | 20 | 27.6 Ų | 27.6 | 9% | 0.088 | 17% | 0.173 | C | C | . | . | trans | -55.7 | 149.4 | 159.5 | -64.1 | -92.5 | 0 | 0 | 0 | 109.2 | P56 L128 R264 L268 | P56-F126 HydrophobicContact CG-CE1 3.94Å; P56-F126 HydrophobicContact CG-CE2 3.83Å; P56-F126 HydrophobicContact CG-CZ 3.38Å; F126-L128 HydrophobicContact CB-CD2 4.25Å; F126-L128 HydrophobicContact CB-CG 4.22Å; F126-L128 WeakPolarHBondContact O-CG 3.47Å; F126-L128 PolarHBondContact O-N 3.24Å; F126-R264 HydrophobicContact CE2-CG 4.07Å; F126-L268 HydrophobicContact CD2-CD1 3.84Å; F126-L268 HydrophobicContact CE1-CD1 4.41Å; F126-L268 HydrophobicContact CE2-CB 4.12Å; F126-L268 HydrophobicContact CE2-CD1 3.71Å; F126-L268 HydrophobicContact CG-CD1 4.25Å; F126-L268 HydrophobicContact CZ-CB 4.3Å; F126-L268 HydrophobicContact CZ-CD1 4Å | ||
| 127 | A | 86 | Confident | 90.8 | Very high | 104 Ų | 104 | 28.3 Ų | 28.3 | 86% | 0.86 | 18% | 0.176 | S | C | * | . | trans | -69.9 | 107.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 128 | L | 86.6 | Confident | 90.5 | Very high | 26 Ų | 26 | 28.2 Ų | 28.2 | 14% | 0.136 | 18% | 0.176 | C | C | . | . | trans | -125.8 | 146.5 | -173.2 | -60.7 | 178.1 | 0 | 0 | 0 | 110.9 | L50 E55 F126 | L50-L128 HydrophobicContact CD1-CD2 3.45Å; L50-L128 VanDerWaalsContact CD1-CD2 3.45Å; L50-L128 HydrophobicContact CD2-CD1 4.32Å; L50-L128 HydrophobicContact CD2-CD2 3.69Å; L50-L128 HydrophobicContact CG-CD2 4.21Å; E55-L128 HydrophobicContact CB-CD2 4.4Å; F126-L128 HydrophobicContact CB-CD2 4.25Å; F126-L128 HydrophobicContact CB-CG 4.22Å; F126-L128 WeakPolarHBondContact O-CG 3.47Å; F126-L128 PolarHBondContact O-N 3.24Å | ||
| 129 | P | 89 | Confident | 90.1 | Very high | 60 Ų | 60 | 30.8 Ų | 30.8 | 39% | 0.39 | 19% | 0.186 | S | C | . | . | trans | -63.4 | 145 | 172.7 | 28 | -33.3 | 0 | 0 | 0 | 110.9 | I48 L50 | I48-P129 HydrophobicContact CG2-CB 4.1Å; I48-P129 HydrophobicContact CG2-CG 3.88Å; L50-P129 HydrophobicContact CD1-CG 4.48Å | ||
| 130 | Q | 88.9 | Confident | 89.9 | Confident | 84 Ų | 84 | 33 Ų | 33 | 39% | 0.393 | 20% | 0.202 | S | C | . | . | trans | -130 | 157.7 | 175.1 | -71.3 | 178.6 | 72.1 | 0 | 0 | 109 | F135 | Q130-F135 VanDerWaalsContact OE1-CA 3.27Š| ||
| 131 | A | 91.9 | Very high | 89.9 | Confident | 13 Ų | 13 | 35 Ų | 35 | 11% | 0.107 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -113.6 | 161.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110 | I48 N133 T134 L342 | I48-A131 HydrophobicContact CD1-CB 3.66Å; I48-A131 HydrophobicContact CG1-CB 3.95Å; A131-N133 PolarHBondContact O-N 3.21Å; A131-N133 VanDerWaalsContact O-N 3.12Å; A131-T134 PolarHBondContact N-O 3.39Å; A131-T134 VanDerWaalsContact N-O 3.11Å; A131-T134 CarbonylContact O-C 3.57Å; A131-T134 VanDerWaalsContact O-C 3.32Å; A131-T134 PolarHBondContact O-N 3.15Å; A131-L342 HydrophobicContact CB-CD1 3.81Å; A131-L342 HydrophobicContact CB-CG 4.09Å |
| 132 | A | 92.5 | Very high | 90.1 | Very high | 60 Ų | 60 | 36.5 Ų | 36.5 | 50% | 0.496 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -33.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F135 M340 | A132-F135 WeakPolarHBondContact O-CD1 3.5Å; A132-M340 HydrophobicContact CB-CB 4.1Å; A132-M340 HydrophobicContact CB-CG 4.21Å |
| 133 | N | 93.8 | Very high | 90.2 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 8 | 176.5 | 74.5 | -7.9 | 0 | 0 | 0 | 114.3 | R46 Y115 A116 A131 M340 | R46-N133 PolarHBondContact NH2-ND2 2.95Å; R46-N133 PolarHBondContact NH2-O 2.9Å; R46-N133 PolarHBondContact NH2-OD1 3.49Å; Y115-N133 CarbonylContact C-O 3.09Å; Y115-N133 VanDerWaalsContact CA-O 3.25Å; Y115-N133 WeakPolarHBondContact CA-O 3.36Å; Y115-N133 HydrophobicContact CD1-CB 3.97Å; Y115-N133 HydrophobicContact CE1-CB 4.47Å; A116-N133 PolarHBondContact N-O 3.2Å; A131-N133 PolarHBondContact O-N 3.21Å; A131-N133 VanDerWaalsContact O-N 3.12Å; N133-M340 HydrophobicContact CB-CB 3.82Å |
| 134 | T | 93.7 | Very high | 90.2 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 94 | -176.7 | -51.3 | 0 | 0 | 0 | 0 | 108.7 | R46 I48 A116 A131 | R46-T134 PolarHBondContact NE-OG1 3.31Å; I48-T134 VanDerWaalsContact CD1-CB 3.43Å; I48-T134 HydrophobicContact CD1-CG2 3.45Å; I48-T134 VanDerWaalsContact CD1-CG2 3.45Å; A116-T134 HydrophobicContact CB-CG2 3.9Å; A116-T134 CarbonylContact O-C 3.6Å; A116-T134 WeakPolarHBondContact O-CA 3.39Å; A131-T134 PolarHBondContact N-O 3.39Å; A131-T134 VanDerWaalsContact N-O 3.11Å; A131-T134 CarbonylContact O-C 3.57Å; A131-T134 VanDerWaalsContact O-C 3.32Å; A131-T134 PolarHBondContact O-N 3.15Å |
| 135 | F | 91.3 | Very high | 90.1 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 173.2 | -168.4 | 58 | -96.1 | 0 | 0 | 0 | 111.2 | Y115 A116 F117 G118 Q130 A132 I137 W326 | Y115-F135 HydrophobicContact CD1-CE1 4.27Å; Y115-F135 HydrophobicContact CG-CE1 4.47Å; A116-F135 PolarHBondContact O-N 3.37Å; F117-F135 VanDerWaalsContact CA-O 3.3Å; F117-F135 WeakPolarHBondContact CA-O 3.33Å; F117-F135 HydrophobicContact CD1-CD2 4.25Å; F117-F135 HydrophobicContact CD1-CE1 4.3Å; F117-F135 AromaticContact CD1-CE2 3.7Å; F117-F135 HydrophobicContact CD1-CE2 3.7Å; F117-F135 AromaticContact CD1-CZ 3.74Å; F117-F135 HydrophobicContact CD1-CZ 3.74Å; F117-F135 HydrophobicContact CE1-CD2 4.45Å; F117-F135 AromaticContact CE1-CE1 3.84Å; F117-F135 HydrophobicContact CE1-CE1 3.84Å; F117-F135 AromaticContact CE1-CE2 3.52Å; F117-F135 HydrophobicContact CE1-CE2 3.52Å; F117-F135 AromaticContact CE1-CZ 3.16Å; F117-F135 HydrophobicContact CE1-CZ 3.16Å; F117-F135 HydrophobicContact CZ-CE2 4.38Å; F117-F135 HydrophobicContact CZ-CZ 4.05Å; G118-F135 PolarHBondContact N-O 3.31Å; Q130-F135 VanDerWaalsContact OE1-CA 3.27Å; A132-F135 WeakPolarHBondContact O-CD1 3.5Å; F135-I137 HydrophobicContact CD2-CG1 4.18Å; F135-I137 HydrophobicContact CE2-CD1 4.01Å; F135-I137 HydrophobicContact CE2-CG1 3.85Å; F135-W326 HydrophobicContact CE1-CD2 4.13Å; F135-W326 HydrophobicContact CE1-CG 4.19Å; F135-W326 AromaticContact CE2-CD1 3.5Å; F135-W326 HydrophobicContact CE2-CG 4.14Å; F135-W326 AromaticContact CE2-NE1 3.78Å; F135-W326 HydrophobicContact CZ-CB 3.99Å; F135-W326 AromaticContact CZ-CD1 3.21Å; F135-W326 AromaticContact CZ-CD2 3.8Å; F135-W326 HydrophobicContact CZ-CD2 3.8Å; F135-W326 AromaticContact CZ-CE2 3.87Å; F135-W326 AromaticContact CZ-CG 3.4Å; F135-W326 HydrophobicContact CZ-CG 3.4Å; F135-W326 VanDerWaalsContact CZ-CG 3.4Å; F135-W326 AromaticContact CZ-NE1 3.51Å |
| 136 | T | 92 | Very high | 90.1 | Very high | 8 Ų | 8 | 48.8 Ų | 48.8 | 5% | 0.049 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 143.2 | -178.4 | 60.9 | 0 | 0 | 0 | 0 | 112.3 | G118 M120 P122 K322 | G118-T136 CarbonylContact O-C 3.6Å; G118-T136 WeakPolarHBondContact O-CA 3.3Å; G118-T136 WeakPolarHBondContact O-CB 3.41Å; M120-T136 WeakPolarHBondContact O-CB 3.47Å; M120-T136 WeakPolarHBondContact O-CG2 3.41Å; P122-T136 VanDerWaalsContact CD-OG1 3.29Å; P122-T136 WeakPolarHBondContact CD-OG1 3.29Å; P122-T136 HydrophobicContact CG-CG2 4.44Å; P122-T136 WeakPolarHBondContact CG-OG1 3.15Å; T136-K322 PolarHBondContact O-NZ 2.88Å |
| 137 | I | 91.6 | Very high | 90.5 | Very high | 17 Ų | 17 | 48.7 Ų | 48.7 | 9% | 0.087 | 31% | 0.307 | C | S | . | . | trans | -127.9 | 95.8 | 168.1 | -64.6 | -179 | 0 | 0 | 0 | 104.5 | F117 G118 S119 F135 D319 G323 | F117-I137 HydrophobicContact CB-CD1 4.19Å; F117-I137 HydrophobicContact CB-CG1 4.49Å; F117-I137 HydrophobicContact CD1-CD1 3.76Å; F117-I137 HydrophobicContact CD1-CG1 4.33Å; F117-I137 HydrophobicContact CD2-CD1 3.31Å; F117-I137 HydrophobicContact CD2-CG1 4.41Å; F117-I137 HydrophobicContact CE1-CD1 3.92Å; F117-I137 HydrophobicContact CE2-CD1 3.43Å; F117-I137 VanDerWaalsContact CE2-CD1 3.43Å; F117-I137 HydrophobicContact CG-CD1 3.47Å; F117-I137 VanDerWaalsContact CG-CD1 3.47Å; F117-I137 HydrophobicContact CG-CG1 4.16Å; F117-I137 HydrophobicContact CZ-CD1 3.75Å; G118-I137 CarbonylContact O-C 3.49Å; G118-I137 PolarHBondContact O-N 3.17Å; S119-I137 WeakPolarHBondContact CA-O 3.45Å; F135-I137 HydrophobicContact CD2-CG1 4.18Å; F135-I137 HydrophobicContact CE2-CD1 4.01Å; F135-I137 HydrophobicContact CE2-CG1 3.85Å; I137-D319 HydrophobicContact CG2-CB 3.97Å; I137-D319 WeakPolarHBondContact CG2-O 3.34Å; I137-G323 VanDerWaalsContact CD1-CA 3.44Å | ||
| 138 | D | 87.8 | Confident | 90.8 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.032 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 162.6 | 178.7 | -160.1 | 11.3 | 0 | 0 | 0 | 110.9 | S121 H244 K315 D319 | S121-D138 WeakPolarHBondContact CB-OD2 3.17Å; D138-H244 IonicContact OD1-CD2 3.63Å; D138-H244 PolarHBondContact OD1-CD2 3.36Å; D138-H244 VanDerWaalsContact OD1-CD2 3.22Å; D138-H244 IonicContact OD1-NE2 3.88Å; D138-H244 IonicContact OD2-CD2 2.71Å; D138-H244 PolarHBondContact OD2-CD2 2.79Å; D138-H244 IonicContact OD2-NE2 2.76Å; D138-K315 IonicContact OD2-NZ 2.7Å; D138-K315 PolarHBondContact OD2-NZ 2.91Å; D138-D319 HydrophobicContact CB-CB 4.4Å; D138-D319 WeakPolarHBondContact CB-OD2 3.38Å; D138-D319 VanDerWaalsContact N-CG 3.29Å; D138-D319 PolarHBondContact N-OD2 3.47Å; D138-D319 VanDerWaalsContact O-CB 3.28Å; D138-D319 WeakPolarHBondContact O-CB 3.38Å |
| 139 | Y | 86.7 | Confident | 91.1 | Very high | 55 Ų | 55 | 50.3 Ų | 50.3 | 22% | 0.216 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 141.3 | 170.7 | -66 | -72.2 | 0 | 0 | 0 | 110 | T35 S119 I240 H244 | T35-Y139 WeakPolarHBondContact CA-OH 3.47Å; T35-Y139 PolarHBondContact O-OH 2.95Å; S119-Y139 VanDerWaalsContact CB-CE2 3.43Å; Y139-I240 HydrophobicContact CE2-CG2 4.27Å; Y139-H244 PolarHBondContact O-CE1 2.91Å; Y139-H244 PolarHBondContact O-NE2 2.74Å |
| 140 | S | 87 | Confident | 91.2 | Very high | 48 Ų | 48 | 51 Ų | 51 | 34% | 0.336 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 143.9 | 167.3 | -51.8 | 0 | 0 | 0 | 0 | 109.3 | D318 | S140-D318 PolarHBondContact OG-OD1 3.23Å; S140-D318 VanDerWaalsContact OG-OD1 3.12Å |
| 141 | C | 90.5 | Very high | 91.5 | Very high | 45 Ų | 45 | 47.8 Ų | 47.8 | 30% | 0.304 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 121.1 | 168.4 | -92.1 | 0 | 0 | 0 | 0 | 109.9 | C248 K313 | C141-C248 VanDerWaalsContact CA-SG 3.5Å; C141-C248 HydrophobicContact CB-CB 4.25Å; C141-C248 WeakPolarHBondContact CB-SG 3.28Å; C141-C248 WeakPolarHBondContact SG-CB 3.41Å; C141-C248 CovalentContact SG-SG 2.02Å; C141-C248 PolarHBondContact SG-SG 2.9Å; C141-K313 WeakPolarHBondContact SG-CE 3.44Å |
| 142 | P | 92 | Very high | 91.7 | Very high | 35 Ų | 35 | 49.9 Ų | 49.9 | 23% | 0.227 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 142.5 | -174.5 | 25.6 | -33.4 | 0 | 0 | 0 | 110.7 | P144 P223 E245 F249 | P142-P144 VanDerWaalsContact O-CD 3.22Å; P142-P144 WeakPolarHBondContact O-CD 3.37Å; P142-P223 HydrophobicContact CB-CB 4.1Å; P142-P223 HydrophobicContact CB-CG 4.18Å; P142-P223 HydrophobicContact CG-CB 3.91Å; P142-P223 HydrophobicContact CG-CG 4.11Å; P142-E245 HydrophobicContact CG-CG 4.04Å; P142-F249 HydrophobicContact CG-CE2 3.79Å; P142-F249 HydrophobicContact CG-CZ 3.86Å |
| 143 | K | 91.6 | Very high | 91.8 | Very high | 207 Ų | 207 | 54 Ų | 54 | 90% | 0.9 | 31% | 0.312 | S | S | * | . | trans | -86.1 | 105.4 | 169.2 | -65.1 | -179.2 | -177.2 | 177.3 | 0 | 107.7 | ||||
| 144 | P | 91 | Very high | 91.9 | Very high | 37 Ų | 37 | 55 Ų | 55 | 24% | 0.24 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 144.6 | -176.7 | 26.7 | -30.8 | 0 | 0 | 0 | 111.6 | P142 P223 A224 K227 | P142-P144 VanDerWaalsContact O-CD 3.22Å; P142-P144 WeakPolarHBondContact O-CD 3.37Å; P144-P223 HydrophobicContact CB-CB 4Å; P144-A224 VanDerWaalsContact CB-CA 3.47Å; P144-A224 HydrophobicContact CB-CB 3.77Å; P144-K227 HydrophobicContact CG-CB 4.16Å; P144-K227 HydrophobicContact CG-CD 3.31Å; P144-K227 HydrophobicContact CG-CG 4.35Å |
| 145 | A | 90 | Very high | 92.1 | Very high | 82 Ų | 82 | 54.8 Ų | 54.8 | 68% | 0.678 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 165.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | A224 | A145-A224 VanDerWaalsContact O-CB 3.26Å; A145-A224 WeakPolarHBondContact O-CB 3.39Å |
| 146 | A | 91.3 | Very high | 92.3 | Very high | 96 Ų | 96 | 57.6 Ų | 57.6 | 79% | 0.793 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 146.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 147 | L | 94.3 | Very high | 92.5 | Very high | 19 Ų | 19 | 59.1 Ų | 59.1 | 10% | 0.099 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 142.3 | 171.2 | -69.9 | 171.3 | 0 | 0 | 0 | 109.3 | F151 Q152 V155 P221 A224 L225 | L147-F151 HydrophobicContact CB-CB 4.4Å; L147-F151 HydrophobicContact CD2-CB 4.19Å; L147-Q152 HydrophobicContact CB-CB 4.25Å; L147-V155 HydrophobicContact CD1-CG2 3.87Å; L147-P221 HydrophobicContact CD2-CB 4.16Å; L147-P221 HydrophobicContact CD2-CG 3.59Å; L147-A224 HydrophobicContact CD2-CB 3.43Å; L147-A224 VanDerWaalsContact CD2-CB 3.43Å; L147-A224 HydrophobicContact CG-CB 3.81Å; L147-L225 HydrophobicContact CD1-CD2 4.25Å; L147-L225 HydrophobicContact CD2-CD2 3.78Å; L147-L225 HydrophobicContact CD2-CG 3.85Å |
| 148 | G | 93.5 | Very high | 92.7 | Very high | 37 Ų | 37 | 64.1 Ų | 64.1 | 38% | 0.381 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 152.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | D150 F151 Q152 | G148-D150 PolarHBondContact O-N 3.42Å; G148-D150 VanDerWaalsContact O-N 3.09Å; G148-F151 PolarHBondContact O-N 2.87Å; G148-Q152 PolarHBondContact O-N 2.93Å |
| 149 | N | 92.2 | Very high | 93 | Very high | 127 Ų | 127 | 67.8 Ų | 67.8 | 68% | 0.679 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -50.9 | -38.8 | -175.8 | -65.7 | -3.9 | 0 | 0 | 0 | 112.6 | F151 Q152 E153 | N149-F151 VanDerWaalsContact C-N 3.32Å; N149-F151 PolarHBondContact O-N 3.24Å; N149-Q152 PolarHBondContact O-N 2.84Å; N149-E153 WeakPolarHBondContact O-CB 3.39Å; N149-E153 WeakPolarHBondContact O-CG 3.28Å; N149-E153 PolarHBondContact O-N 3.05Å |
| 150 | D | 90.9 | Very high | 93.5 | Very high | 74 Ų | 74 | 65.8 Ų | 65.8 | 40% | 0.396 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.5 | -28.2 | -177.2 | 73.6 | -44.7 | 0 | 0 | 0 | 114.2 | G148 K215 | G148-D150 PolarHBondContact O-N 3.42Å; G148-D150 VanDerWaalsContact O-N 3.09Å; D150-K215 WeakPolarHBondContact OD2-CE 3.42Å; D150-K215 IonicContact OD2-NZ 2.83Å; D150-K215 PolarHBondContact OD2-NZ 3.28Å |
| 151 | F | 96.3 | Very high | 94 | Very high | 17 Ų | 17 | 69.8 Ų | 69.8 | 8% | 0.075 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -85.5 | -40.5 | 169.7 | -70.2 | -73.2 | 0 | 0 | 0 | 111.3 | L147 G148 N149 L154 V155 V198 K215 A217 L220 P221 L225 | L147-F151 HydrophobicContact CB-CB 4.4Å; L147-F151 HydrophobicContact CD2-CB 4.19Å; G148-F151 PolarHBondContact O-N 2.87Å; N149-F151 VanDerWaalsContact C-N 3.32Å; N149-F151 PolarHBondContact O-N 3.24Å; F151-L154 PolarHBondContact O-N 3.29Å; F151-V155 WeakPolarHBondContact O-CG1 3.08Å; F151-V155 WeakPolarHBondContact O-CG2 3.48Å; F151-V155 PolarHBondContact O-N 3.09Å; F151-V198 HydrophobicContact CD1-CG1 4.08Å; F151-V198 HydrophobicContact CE1-CG1 3.77Å; F151-K215 HydrophobicContact CD1-CG 4.37Å; F151-K215 HydrophobicContact CE1-CG 4.06Å; F151-A217 HydrophobicContact CZ-CB 4Å; F151-L220 HydrophobicContact CE1-CD2 3.75Å; F151-L220 HydrophobicContact CZ-CD2 3.92Å; F151-P221 HydrophobicContact CD2-CG 3.91Å; F151-P221 HydrophobicContact CE2-CG 4.05Å; F151-P221 HydrophobicContact CG-CG 4.34Å; F151-L225 HydrophobicContact CB-CD2 4.27Å; F151-L225 HydrophobicContact CD1-CD2 4.2Å; F151-L225 HydrophobicContact CG-CD2 4.47Å |
| 152 | Q | 95.7 | Very high | 94.4 | Very high | 57 Ų | 57 | 67.7 Ų | 67.7 | 27% | 0.266 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.6 | -50.3 | -177.1 | -167.4 | 65 | 64.2 | 0 | 0 | 111.3 | L147 G148 N149 L154 V155 D156 | L147-Q152 HydrophobicContact CB-CB 4.25Å; G148-Q152 PolarHBondContact O-N 2.93Å; N149-Q152 PolarHBondContact O-N 2.84Å; Q152-L154 VanDerWaalsContact C-N 3.27Å; Q152-L154 PolarHBondContact O-N 2.74Å; Q152-V155 WeakPolarHBondContact O-CG2 3.43Å; Q152-V155 PolarHBondContact O-N 2.94Å; Q152-D156 WeakPolarHBondContact CG-OD2 3.17Å; Q152-D156 PolarHBondContact NE2-OD1 2.69Å; Q152-D156 PolarHBondContact NE2-OD2 3.37Å; Q152-D156 VanDerWaalsContact O-CB 3.3Å; Q152-D156 WeakPolarHBondContact O-CB 3.44Å; Q152-D156 PolarHBondContact O-N 3.48Å |
| 153 | E | 95 | Very high | 94.7 | Very high | 146 Ų | 146 | 66 Ų | 66 | 68% | 0.682 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -56.7 | -40.8 | 177.9 | -73.4 | 171.9 | -167.4 | 0 | 0 | 112.4 | N149 | N149-E153 WeakPolarHBondContact O-CB 3.39Å; N149-E153 WeakPolarHBondContact O-CG 3.28Å; N149-E153 PolarHBondContact O-N 3.05Å |
| 154 | L | 95.7 | Very high | 95 | Very high | 23 Ų | 23 | 56.1 Ų | 56.1 | 12% | 0.12 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68 | -46.9 | 179.4 | -175.2 | 80.8 | 0 | 0 | 0 | 111.6 | F151 Q152 R196 V198 K215 | F151-L154 PolarHBondContact O-N 3.29Å; Q152-L154 VanDerWaalsContact C-N 3.27Å; Q152-L154 PolarHBondContact O-N 2.74Å; L154-R196 HydrophobicContact CD2-CB 4.49Å; L154-R196 HydrophobicContact CG-CB 4.1Å; L154-R196 HydrophobicContact CG-CG 4.41Å; L154-R196 VanDerWaalsContact O-CG 3.25Å; L154-R196 WeakPolarHBondContact O-CG 3.13Å; L154-V198 HydrophobicContact CD2-CG2 3.65Å; L154-K215 HydrophobicContact CD2-CB 3.43Å; L154-K215 VanDerWaalsContact CD2-CB 3.43Å; L154-K215 HydrophobicContact CD2-CG 4.24Å |
| 155 | V | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -79.5 | -21.2 | -174 | -57.8 | 0 | 0 | 0 | 0 | 113.3 | L147 F151 Q152 T163 V198 L225 H228 K230 | L147-V155 HydrophobicContact CD1-CG2 3.87Å; F151-V155 WeakPolarHBondContact O-CG1 3.08Å; F151-V155 WeakPolarHBondContact O-CG2 3.48Å; F151-V155 PolarHBondContact O-N 3.09Å; Q152-V155 WeakPolarHBondContact O-CG2 3.43Å; Q152-V155 PolarHBondContact O-N 2.94Å; V155-T163 HydrophobicContact CG1-CG2 3.89Å; V155-V198 HydrophobicContact CG1-CG2 4.43Å; V155-L225 HydrophobicContact CG1-CD2 3.95Å; V155-H228 PolarHBondContact O-CE1 2.76Å; V155-K230 VanDerWaalsContact O-CD 3.29Å; V155-K230 WeakPolarHBondContact O-CD 3.33Å |
| 156 | D | 96.7 | Very high | 95.8 | Very high | 74 Ų | 74 | 50.5 Ų | 50.5 | 40% | 0.396 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -81.7 | -15.6 | 177.2 | -80.7 | -17 | 0 | 0 | 0 | 113.9 | Q152 H228 K230 | Q152-D156 WeakPolarHBondContact CG-OD2 3.17Å; Q152-D156 PolarHBondContact NE2-OD1 2.69Å; Q152-D156 PolarHBondContact NE2-OD2 3.37Å; Q152-D156 VanDerWaalsContact O-CB 3.3Å; Q152-D156 WeakPolarHBondContact O-CB 3.44Å; Q152-D156 PolarHBondContact O-N 3.48Å; D156-H228 IonicContact OD1-CE1 2.77Å; D156-H228 PolarHBondContact OD1-CE1 3.3Å; D156-H228 IonicContact OD1-NE2 3.59Å; D156-H228 PolarHBondContact OD1-NE2 3.02Å; D156-K230 PolarHBondContact O-NZ 2.95Å |
| 157 | D | 95.6 | Very high | 96.1 | Very high | 40 Ų | 40 | 46.2 Ų | 46.2 | 21% | 0.214 | 26% | 0.257 | C | S | . | . | trans | -40.1 | 112.1 | -176.2 | -175.7 | -21.7 | 0 | 0 | 0 | 111.9 | S159 S160 R196 K230 | D157-S159 VanDerWaalsContact CG-OG 3.27Å; D157-S159 PolarHBondContact O-N 3.02Å; D157-S159 WeakPolarHBondContact OD1-CB 3.4Å; D157-S159 PolarHBondContact OD1-N 3.48Å; D157-S159 PolarHBondContact OD1-OG 2.86Å; D157-S159 PolarHBondContact OD2-OG 3.39Å; D157-S160 WeakPolarHBondContact O-CB 3.4Å; D157-S160 PolarHBondContact O-N 2.92Å; D157-S160 VanDerWaalsContact O-N 3.08Å; D157-R196 HydrophobicContact CB-CG 4.43Å; D157-R196 IonicContact OD2-CZ 3.06Å; D157-R196 IonicContact OD2-NE 3.38Å; D157-R196 PolarHBondContact OD2-NE 3.28Å; D157-R196 IonicContact OD2-NH2 2.83Å; D157-R196 PolarHBondContact OD2-NH2 3.45Å; D157-K230 PolarHBondContact O-NZ 3.37Å | ||
| 158 | P | 95.3 | Very high | 96.2 | Very high | 121 Ų | 121 | 45.7 Ų | 45.7 | 79% | 0.786 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23.3 | -174.1 | 25.6 | -34 | 0 | 0 | 0 | 113 | S160 | P158-S160 VanDerWaalsContact C-N 3.29Š|
| 159 | S | 95.7 | Very high | 96.1 | Very high | 84 Ų | 84 | 44.5 Ų | 44.5 | 59% | 0.587 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -14.9 | 176.9 | 71.7 | 0 | 0 | 0 | 0 | 113.4 | D157 R196 | D157-S159 VanDerWaalsContact CG-OG 3.27Å; D157-S159 PolarHBondContact O-N 3.02Å; D157-S159 WeakPolarHBondContact OD1-CB 3.4Å; D157-S159 PolarHBondContact OD1-N 3.48Å; D157-S159 PolarHBondContact OD1-OG 2.86Å; D157-S159 PolarHBondContact OD2-OG 3.39Å; S159-R196 PolarHBondContact OG-NH2 3.39Å |
| 160 | S | 97 | Very high | 95.8 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | trans | -79.6 | 136.9 | -174.9 | -173.6 | 0 | 0 | 0 | 0 | 113.1 | D157 P158 G162 D194 R196 | D157-S160 WeakPolarHBondContact O-CB 3.4Å; D157-S160 PolarHBondContact O-N 2.92Å; D157-S160 VanDerWaalsContact O-N 3.08Å; P158-S160 VanDerWaalsContact C-N 3.29Å; S160-G162 PolarHBondContact O-N 3.21Å; S160-G162 PolarHBondContact OG-N 3.12Å; S160-G162 PolarHBondContact OG-O 3.18Å; S160-D194 CarbonylContact C-O 3.57Å; S160-D194 WeakPolarHBondContact CA-O 3.5Å; S160-D194 PolarHBondContact OG-O 2.98Å; S160-D194 VanDerWaalsContact OG-O 3.12Å; S160-R196 WeakPolarHBondContact OG-CG 3.43Å | ||
| 161 | K | 97.6 | Very high | 95.6 | Very high | 131 Ų | 131 | 49.5 Ų | 49.5 | 57% | 0.57 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -69 | -12.9 | 167 | -68.5 | -179.2 | -178.7 | 162.4 | 0 | 113.3 | D194 Y195 | K161-D194 HydrophobicContact CD-CB 3.75Å; K161-D194 WeakPolarHBondContact CE-OD2 3.28Å; K161-D194 HydrophobicContact CG-CB 4.07Å; K161-D194 PolarHBondContact N-O 3.02Å; K161-D194 IonicContact NZ-OD2 3.12Å; K161-D194 PolarHBondContact NZ-OD2 3.35Å; K161-Y195 HydrophobicContact CB-CD1 4.08Å; K161-Y195 HydrophobicContact CB-CE1 3.65Å; K161-Y195 HydrophobicContact CD-CE2 4.49Å |
| 162 | G | 98.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.4 | 175.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S160 Y195 R196 K230 | S160-G162 PolarHBondContact O-N 3.21Å; S160-G162 PolarHBondContact OG-N 3.12Å; S160-G162 PolarHBondContact OG-O 3.18Å; G162-Y195 WeakPolarHBondContact O-CA 3.29Å; G162-Y195 WeakPolarHBondContact O-CD1 3.46Å; G162-R196 PolarHBondContact O-N 3.13Å; G162-K230 CarbonylContact C-O 3.58Å; G162-K230 WeakPolarHBondContact CA-O 3.46Å |
| 163 | T | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 132.1 | 179.4 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | V155 I165 R196 V198 K230 V232 | V155-T163 HydrophobicContact CG1-CG2 3.89Å; T163-I165 HydrophobicContact CG2-CG1 4.11Å; T163-R196 CarbonylContact C-O 3.5Å; T163-R196 VanDerWaalsContact CA-O 3.24Å; T163-R196 WeakPolarHBondContact CA-O 3.44Å; T163-V198 HydrophobicContact CG2-CG2 3.99Å; T163-K230 PolarHBondContact N-O 2.69Å; T163-V232 WeakPolarHBondContact O-CG2 3.34Å; T163-V232 PolarHBondContact O-N 2.65Å |
| 164 | I | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 122.9 | 170 | -55.3 | 179.8 | 0 | 0 | 0 | 107.9 | M192 Y195 R196 I197 V198 V232 L233 I235 I292 L296 | I164-M192 HydrophobicContact CD1-CE 3.77Å; I164-M192 HydrophobicContact CD1-SD 4.08Å; I164-Y195 HydrophobicContact CD1-CD1 4.32Å; I164-Y195 HydrophobicContact CD1-CG 4.12Å; I164-Y195 HydrophobicContact CG1-CD1 4.34Å; I164-Y195 HydrophobicContact CG1-CG 4.47Å; I164-R196 PolarHBondContact N-O 3.29Å; I164-I197 HydrophobicContact CB-CD1 3.71Å; I164-I197 HydrophobicContact CD1-CD1 3.8Å; I164-I197 HydrophobicContact CG1-CD1 4.02Å; I164-I197 HydrophobicContact CG2-CD1 4.43Å; I164-I197 WeakPolarHBondContact O-CA 3.44Å; I164-V198 PolarHBondContact O-N 2.78Å; I164-V232 HydrophobicContact CG1-CG2 4.24Å; I164-L233 WeakPolarHBondContact CA-O 3.37Å; I164-L233 HydrophobicContact CD1-CD2 4.39Å; I164-L233 HydrophobicContact CG1-CB 4.21Å; I164-L233 HydrophobicContact CG2-CB 4.21Å; I164-L233 HydrophobicContact CG2-CD2 3.97Å; I164-L233 HydrophobicContact CG2-CG 4.17Å; I164-I235 HydrophobicContact CG2-CD1 3.81Å; I164-I235 HydrophobicContact CG2-CG1 3.99Å; I164-I292 HydrophobicContact CD1-CG2 4.12Å; I164-L296 HydrophobicContact CD1-CD1 4.15Å |
| 165 | I | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 136.6 | -179.7 | -58.8 | 163.5 | 0 | 0 | 0 | 109.1 | T163 V198 L220 L222 L225 L226 T231 L233 F234 I235 | T163-I165 HydrophobicContact CG2-CG1 4.11Å; I165-V198 CarbonylContact C-O 3.43Å; I165-V198 WeakPolarHBondContact CA-O 3.22Å; I165-L220 HydrophobicContact CG2-CD1 4.03Å; I165-L222 HydrophobicContact CG2-CD1 3.81Å; I165-L225 HydrophobicContact CD1-CB 3.48Å; I165-L225 VanDerWaalsContact CD1-CB 3.48Å; I165-L225 HydrophobicContact CG1-CB 4.25Å; I165-L226 HydrophobicContact CD1-CD2 3.91Å; I165-L226 HydrophobicContact CD1-CG 4.18Å; I165-T231 HydrophobicContact CD1-CG2 3.52Å; I165-T231 HydrophobicContact CG1-CG2 4.23Å; I165-L233 PolarHBondContact N-O 3.11Å; I165-F234 HydrophobicContact CB-CD2 4Å; I165-F234 HydrophobicContact CG2-CD2 3.95Å; I165-F234 HydrophobicContact CG2-CE2 3.99Å; I165-F234 CarbonylContact O-C 3.47Å; I165-I235 PolarHBondContact O-N 2.77Å |
| 166 | V | 98.3 | Very high | 95 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 113.9 | 175.1 | -167.8 | 0 | 0 | 0 | 0 | 108.4 | F168 W174 F189 I197 V198 W199 Q200 I235 | V166-F168 HydrophobicContact CG1-CD2 4.12Å; V166-F168 HydrophobicContact CG1-CE2 3.76Å; V166-W174 HydrophobicContact CG1-CZ2 4.1Å; V166-F189 HydrophobicContact CG2-CE2 3.78Å; V166-F189 HydrophobicContact CG2-CZ 3.47Å; V166-F189 VanDerWaalsContact CG2-CZ 3.47Å; V166-I197 HydrophobicContact CG2-CG2 4.36Å; V166-V198 PolarHBondContact N-O 2.97Å; V166-W199 HydrophobicContact CB-CB 4.1Å; V166-W199 HydrophobicContact CB-CG 3.92Å; V166-W199 HydrophobicContact CG1-CG 4.21Å; V166-W199 HydrophobicContact CG2-CB 4.29Å; V166-W199 HydrophobicContact CG2-CG 4.31Å; V166-Q200 WeakPolarHBondContact O-CB 3.27Å; V166-Q200 PolarHBondContact O-N 3.29Å; V166-I235 WeakPolarHBondContact CA-O 3.43Å; V166-I235 HydrophobicContact CB-CB 4.45Å; V166-I235 HydrophobicContact CG1-CB 4.22Å; V166-I235 HydrophobicContact CG1-CG2 4.26Å; V166-I235 HydrophobicContact CG2-CB 4.2Å; V166-I235 HydrophobicContact CG2-CD1 4.22Å; V166-I235 HydrophobicContact CG2-CG1 4.48Å |
| 167 | S | 97.8 | Very high | 94.8 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 133.9 | 176.2 | 173 | 0 | 0 | 0 | 0 | 110.3 | Q200 I235 N236 | S167-Q200 PolarHBondContact OG-OE1 2.86Å; S167-I235 PolarHBondContact N-O 3.1Å; S167-N236 WeakPolarHBondContact O-CA 2.95Å; S167-N236 PolarHBondContact O-ND2 2.87Å |
| 168 | F | 96.6 | Very high | 94.8 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.035 | 28% | 0.281 | C | S | . | . | trans | -119.3 | 22.2 | -177.5 | -80.1 | -112.4 | 0 | 0 | 0 | 112.1 | V166 V172 W174 I235 H237 I256 M258 | V166-F168 HydrophobicContact CG1-CD2 4.12Å; V166-F168 HydrophobicContact CG1-CE2 3.76Å; F168-V172 HydrophobicContact CB-CB 3.69Å; F168-V172 HydrophobicContact CB-CG1 3.83Å; F168-V172 HydrophobicContact CB-CG2 3.98Å; F168-V172 HydrophobicContact CD1-CG1 4.35Å; F168-V172 HydrophobicContact CD1-CG2 4.46Å; F168-V172 HydrophobicContact CG-CG1 4.42Å; F168-V172 WeakPolarHBondContact O-CB 3.29Å; F168-V172 WeakPolarHBondContact O-CG2 3.11Å; F168-W174 HydrophobicContact CD2-CH2 4.2Å; F168-W174 AromaticContact CD2-CZ2 3.42Å; F168-W174 HydrophobicContact CD2-CZ2 3.42Å; F168-W174 VanDerWaalsContact CD2-CZ2 3.42Å; F168-W174 HydrophobicContact CE2-CH2 4.04Å; F168-W174 AromaticContact CE2-CZ2 3.68Å; F168-W174 HydrophobicContact CE2-CZ2 3.68Å; F168-W174 AromaticContact CG-CZ2 3.97Å; F168-W174 HydrophobicContact CG-CZ2 3.97Å; F168-W174 HydrophobicContact CZ-CH2 4.44Å; F168-W174 HydrophobicContact CZ-CZ2 4.42Å; F168-I235 HydrophobicContact CE2-CG2 4.2Å; F168-I235 HydrophobicContact CZ-CG2 4.4Å; F168-H237 VanDerWaalsContact C-ND1 3.32Å; F168-H237 WeakPolarHBondContact CA-ND1 3.27Å; F168-H237 HydrophobicContact CD1-CB 3.74Å; F168-H237 HydrophobicContact CE1-CB 4.23Å; F168-H237 HydrophobicContact CG-CB 4.38Å; F168-H237 PolarHBondContact O-ND1 3.01Å; F168-I256 HydrophobicContact CE1-CB 3.79Å; F168-I256 HydrophobicContact CE1-CG2 3.91Å; F168-I256 HydrophobicContact CZ-CB 3.83Å; F168-I256 HydrophobicContact CZ-CD1 3.82Å; F168-I256 HydrophobicContact CZ-CG1 4.39Å; F168-I256 HydrophobicContact CZ-CG2 4.21Å; F168-M258 HydrophobicContact CD1-CG 4.2Å; F168-M258 HydrophobicContact CD1-SD 4.23Å; F168-M258 HydrophobicContact CE1-SD 4.2Å | ||
| 169 | G | 90.3 | Very high | 94.7 | Very high | 12 Ų | 12 | 53.6 Ų | 53.6 | 12% | 0.124 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | -156.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q200 | G169-Q200 PolarHBondContact O-NE2 3.42Š|
| 170 | H | 86.2 | Confident | 94.6 | Very high | 124 Ų | 124 | 55.4 Ų | 55.4 | 57% | 0.574 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -23.9 | -171.1 | -62.6 | 82.1 | 0 | 0 | 0 | 113.3 | K173 W219 | H170-K173 WeakPolarHBondContact O-CE 3.26Å; H170-K173 PolarHBondContact O-NZ 2.78Å; H170-W219 AromaticContact NE2-CD1 3.95Å; H170-W219 AromaticContact NE2-NE1 3.14Å; H170-W219 PolarHBondContact NE2-NE1 3.01Å; H170-W219 VanDerWaalsContact NE2-NE1 3.14Å |
| 171 | Y | 88.3 | Confident | 94.4 | Very high | 181 Ų | 181 | 56.6 Ų | 56.6 | 71% | 0.71 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -30.9 | -176.2 | -74 | -72.2 | 0 | 0 | 0 | 113.7 | K173 | Y171-K173 PolarHBondContact O-N 3.39Š|
| 172 | V | 91.1 | Very high | 94.3 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 16% | 0.158 | 24% | 0.239 | C | C | . | . | trans | -79 | 118.5 | 176.9 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | F168 M258 | F168-V172 HydrophobicContact CB-CB 3.69Å; F168-V172 HydrophobicContact CB-CG1 3.83Å; F168-V172 HydrophobicContact CB-CG2 3.98Å; F168-V172 HydrophobicContact CD1-CG1 4.35Å; F168-V172 HydrophobicContact CD1-CG2 4.46Å; F168-V172 HydrophobicContact CG-CG1 4.42Å; F168-V172 WeakPolarHBondContact O-CB 3.29Å; F168-V172 WeakPolarHBondContact O-CG2 3.11Å; V172-M258 HydrophobicContact CG1-CE 4.32Å; V172-M258 HydrophobicContact CG2-CB 4.35Å; V172-M258 HydrophobicContact CG2-CE 4.46Å; V172-M258 HydrophobicContact CG2-CG 3.75Å | ||
| 173 | K | 93.1 | Very high | 94.2 | Very high | 92 Ų | 92 | 55.3 Ų | 55.3 | 40% | 0.4 | 26% | 0.261 | S | S | . | . | trans | -107 | 110.4 | 178.7 | -56.2 | -58.5 | -173.8 | -169.9 | 0 | 109 | H170 Y171 K175 Y176 D202 | H170-K173 WeakPolarHBondContact O-CE 3.26Å; H170-K173 PolarHBondContact O-NZ 2.78Å; Y171-K173 PolarHBondContact O-N 3.39Å; K173-K175 HydrophobicContact CB-CG 4.05Å; K173-K175 PolarHBondContact O-N 3.38Å; K173-Y176 HydrophobicContact CB-CD2 3.69Å; K173-Y176 HydrophobicContact CB-CE2 4.02Å; K173-Y176 HydrophobicContact CG-CD2 4.37Å; K173-Y176 HydrophobicContact CG-CE2 4.32Å; K173-Y176 PolarHBondContact O-N 2.89Å; K173-Y176 VanDerWaalsContact O-N 3.11Å; K173-D202 VanDerWaalsContact CD-OD2 3.32Å; K173-D202 WeakPolarHBondContact CD-OD2 3.45Å | ||
| 174 | W | 94.8 | Very high | 94 | Very high | 14 Ų | 14 | 56.2 Ų | 56.2 | 5% | 0.053 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -66.2 | -23.5 | -178.2 | -71.9 | 99.7 | 0 | 0 | 0 | 113.1 | V166 F168 Y176 A177 L182 I185 W199 Q200 Y201 D202 | V166-W174 HydrophobicContact CG1-CZ2 4.1Å; F168-W174 HydrophobicContact CD2-CH2 4.2Å; F168-W174 AromaticContact CD2-CZ2 3.42Å; F168-W174 HydrophobicContact CD2-CZ2 3.42Å; F168-W174 VanDerWaalsContact CD2-CZ2 3.42Å; F168-W174 HydrophobicContact CE2-CH2 4.04Å; F168-W174 AromaticContact CE2-CZ2 3.68Å; F168-W174 HydrophobicContact CE2-CZ2 3.68Å; F168-W174 AromaticContact CG-CZ2 3.97Å; F168-W174 HydrophobicContact CG-CZ2 3.97Å; F168-W174 HydrophobicContact CZ-CH2 4.44Å; F168-W174 HydrophobicContact CZ-CZ2 4.42Å; W174-Y176 PolarHBondContact O-N 2.99Å; W174-Y176 VanDerWaalsContact O-N 3.13Å; W174-A177 HydrophobicContact CE3-CB 4.07Å; W174-A177 VanDerWaalsContact O-CB 3.26Å; W174-A177 WeakPolarHBondContact O-CB 3.41Å; W174-A177 PolarHBondContact O-N 3.41Å; W174-L182 HydrophobicContact CE3-CD2 3.8Å; W174-L182 HydrophobicContact CZ3-CD2 4.2Å; W174-I185 HydrophobicContact CH2-CD1 3.72Å; W174-I185 HydrophobicContact CZ3-CD1 3.7Å; W174-W199 HydrophobicContact CD2-CZ2 4.3Å; W174-W199 AromaticContact CD2-NE1 3.81Å; W174-W199 AromaticContact CE2-NE1 3.3Å; W174-W199 VanDerWaalsContact CE2-NE1 3.3Å; W174-W199 AromaticContact CE3-CZ2 3.87Å; W174-W199 HydrophobicContact CE3-CZ2 3.87Å; W174-W199 AromaticContact CH2-CZ2 3.84Å; W174-W199 HydrophobicContact CH2-CZ2 3.84Å; W174-W199 AromaticContact CH2-NE1 3.71Å; W174-W199 HydrophobicContact CZ2-CZ2 4.24Å; W174-W199 AromaticContact CZ2-NE1 3.21Å; W174-W199 AromaticContact CZ3-CZ2 3.65Å; W174-W199 HydrophobicContact CZ3-CZ2 3.65Å; W174-W199 AromaticContact NE1-NE1 3.73Å; W174-Q200 PolarHBondContact NE1-O 3.28Å; W174-Y201 HydrophobicContact CB-CD2 3.44Å; W174-Y201 VanDerWaalsContact CB-CD2 3.44Å; W174-Y201 HydrophobicContact CB-CE2 3.57Å; W174-Y201 HydrophobicContact CB-CG 4.38Å; W174-Y201 HydrophobicContact CD2-CD2 4.13Å; W174-Y201 HydrophobicContact CE3-CD2 4.48Å; W174-Y201 AromaticContact CG-CD2 3.71Å; W174-Y201 HydrophobicContact CG-CD2 3.71Å; W174-Y201 HydrophobicContact CG-CE2 4.21Å; W174-D202 WeakPolarHBondContact CA-OD1 3.48Å; W174-D202 WeakPolarHBondContact CB-OD1 3.4Å; W174-D202 PolarHBondContact N-OD1 3.37Å |
| 175 | K | 93.1 | Very high | 93.9 | Very high | 101 Ų | 101 | 56.4 Ų | 56.4 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -54.1 | -28.8 | 170.4 | 62.9 | 176 | 176.3 | 170 | 0 | 113.7 | K173 D202 R207 | K173-K175 HydrophobicContact CB-CG 4.05Å; K173-K175 PolarHBondContact O-N 3.38Å; K175-D202 PolarHBondContact N-OD1 3.4Å; K175-R207 PolarHBondContact O-NH1 3.48Å |
| 176 | Y | 93.8 | Very high | 93.8 | Very high | 174 Ų | 174 | 56.7 Ų | 56.7 | 68% | 0.682 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -95.4 | 0.2 | 177.7 | -56.3 | -51.6 | 0 | 0 | 0 | 113.9 | K173 W174 | K173-Y176 HydrophobicContact CB-CD2 3.69Å; K173-Y176 HydrophobicContact CB-CE2 4.02Å; K173-Y176 HydrophobicContact CG-CD2 4.37Å; K173-Y176 HydrophobicContact CG-CE2 4.32Å; K173-Y176 PolarHBondContact O-N 2.89Å; K173-Y176 VanDerWaalsContact O-N 3.11Å; W174-Y176 PolarHBondContact O-N 2.99Å; W174-Y176 VanDerWaalsContact O-N 3.13Å |
| 177 | A | 93.3 | Very high | 93.7 | Very high | 22 Ų | 22 | 59.6 Ų | 59.6 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -64.5 | 142.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | W174 L182 R207 | W174-A177 HydrophobicContact CE3-CB 4.07Å; W174-A177 VanDerWaalsContact O-CB 3.26Å; W174-A177 WeakPolarHBondContact O-CB 3.41Å; W174-A177 PolarHBondContact O-N 3.41Å; A177-L182 HydrophobicContact CB-CD1 4.43Å; A177-L182 HydrophobicContact CB-CD2 3.84Å; A177-L182 HydrophobicContact CB-CG 3.96Å; A177-R207 PolarHBondContact O-NH1 3.21Å; A177-R207 PolarHBondContact O-NH2 2.9Å |
| 178 | T | 93.7 | Very high | 93.7 | Very high | 73 Ų | 73 | 59.3 Ų | 59.3 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | trans | -69.3 | 156.3 | 177 | 80.2 | 0 | 0 | 0 | 0 | 110.5 | E180 I181 L182 | T178-E180 VanDerWaalsContact C-N 3.27Å; T178-E180 WeakPolarHBondContact CB-OE2 3.32Å; T178-E180 PolarHBondContact O-N 3.02Å; T178-E180 PolarHBondContact OG1-OE2 3.1Å; T178-I181 PolarHBondContact O-N 3.47Å; T178-L182 WeakPolarHBondContact O-CG 3.37Å; T178-L182 PolarHBondContact O-N 2.8Å | ||
| 179 | T | 93.7 | Very high | 93.7 | Very high | 63 Ų | 63 | 59.1 Ų | 59.1 | 39% | 0.387 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.4 | -35.7 | -177.1 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | I181 L182 Q183 R207 | T179-I181 VanDerWaalsContact C-N 3.34Å; T179-I181 PolarHBondContact O-N 2.79Å; T179-L182 PolarHBondContact O-N 2.89Å; T179-Q183 HydrophobicContact CG2-CG 4.12Å; T179-Q183 WeakPolarHBondContact O-CB 3.35Å; T179-Q183 VanDerWaalsContact O-CG 3.31Å; T179-Q183 WeakPolarHBondContact O-CG 3.5Å; T179-Q183 PolarHBondContact O-N 2.87Å; T179-R207 PolarHBondContact OG1-NH2 2.81Å |
| 180 | E | 93.7 | Very high | 94 | Very high | 121 Ų | 121 | 60.7 Ų | 60.7 | 57% | 0.565 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62 | -42 | 179.9 | -54.4 | 73.1 | -157.1 | 0 | 0 | 111.4 | T178 S184 | T178-E180 VanDerWaalsContact C-N 3.27Å; T178-E180 WeakPolarHBondContact CB-OE2 3.32Å; T178-E180 PolarHBondContact O-N 3.02Å; T178-E180 PolarHBondContact OG1-OE2 3.1Å; E180-S184 VanDerWaalsContact O-CB 3.27Å; E180-S184 WeakPolarHBondContact O-CB 3.41Å; E180-S184 PolarHBondContact O-N 2.94Å; E180-S184 PolarHBondContact O-OG 2.78Å |
| 181 | I | 94 | Very high | 94.4 | Very high | 39 Ų | 39 | 59.9 Ų | 59.9 | 20% | 0.2 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.6 | -45.1 | 177.3 | -65.6 | -64.4 | 0 | 0 | 0 | 110.7 | T178 T179 Q183 S184 I185 M283 | T178-I181 PolarHBondContact O-N 3.47Å; T179-I181 VanDerWaalsContact C-N 3.34Å; T179-I181 PolarHBondContact O-N 2.79Å; I181-Q183 PolarHBondContact O-N 3.25Å; I181-S184 PolarHBondContact O-N 3.32Å; I181-I185 HydrophobicContact CG2-CD1 3.89Å; I181-I185 WeakPolarHBondContact O-CG1 3.31Å; I181-I185 PolarHBondContact O-N 2.96Å; I181-M283 HydrophobicContact CD1-CE 3.96Å; I181-M283 HydrophobicContact CG2-CE 3.91Å |
| 182 | L | 95.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.3 | -41.2 | 178.9 | -68.2 | -176.8 | 0 | 0 | 0 | 112.2 | W174 A177 T178 T179 S186 W199 Y201 R207 V208 | W174-L182 HydrophobicContact CE3-CD2 3.8Å; W174-L182 HydrophobicContact CZ3-CD2 4.2Å; A177-L182 HydrophobicContact CB-CD1 4.43Å; A177-L182 HydrophobicContact CB-CD2 3.84Å; A177-L182 HydrophobicContact CB-CG 3.96Å; T178-L182 WeakPolarHBondContact O-CG 3.37Å; T178-L182 PolarHBondContact O-N 2.8Å; T179-L182 PolarHBondContact O-N 2.89Å; L182-S186 WeakPolarHBondContact O-CB 3.43Å; L182-S186 PolarHBondContact O-N 2.85Å; L182-S186 PolarHBondContact O-OG 2.92Å; L182-W199 HydrophobicContact CD2-CH2 4.29Å; L182-W199 HydrophobicContact CD2-CZ2 4.21Å; L182-Y201 HydrophobicContact CD1-CE2 4.49Å; L182-Y201 HydrophobicContact CD2-CE2 3.77Å; L182-R207 HydrophobicContact CD1-CB 3.92Å; L182-V208 HydrophobicContact CB-CG1 4.29Å; L182-V208 HydrophobicContact CD2-CG1 4.16Å |
| 183 | Q | 94.6 | Very high | 95.1 | Very high | 103 Ų | 103 | 55 Ų | 55 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.2 | -46 | 175.6 | -74.7 | 175.4 | -18.6 | 0 | 0 | 111.2 | T179 I181 I185 S186 N187 | T179-Q183 HydrophobicContact CG2-CG 4.12Å; T179-Q183 WeakPolarHBondContact O-CB 3.35Å; T179-Q183 VanDerWaalsContact O-CG 3.31Å; T179-Q183 WeakPolarHBondContact O-CG 3.5Å; T179-Q183 PolarHBondContact O-N 2.87Å; I181-Q183 PolarHBondContact O-N 3.25Å; Q183-I185 VanDerWaalsContact C-N 3.29Å; Q183-I185 PolarHBondContact O-N 3.39Å; Q183-S186 PolarHBondContact O-N 3.27Å; Q183-N187 VanDerWaalsContact O-CB 3.29Å; Q183-N187 WeakPolarHBondContact O-CB 3.46Å; Q183-N187 PolarHBondContact O-N 3.19Å; Q183-N187 PolarHBondContact O-OD1 2.57Å |
| 184 | S | 95.1 | Very high | 95.3 | Very high | 20 Ų | 20 | 54.2 Ų | 54.2 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.5 | -44.2 | 177 | -66.4 | 0 | 0 | 0 | 0 | 112.1 | E180 I181 V188 E285 | E180-S184 VanDerWaalsContact O-CB 3.27Å; E180-S184 WeakPolarHBondContact O-CB 3.41Å; E180-S184 PolarHBondContact O-N 2.94Å; E180-S184 PolarHBondContact O-OG 2.78Å; I181-S184 PolarHBondContact O-N 3.32Å; S184-V188 WeakPolarHBondContact O-CG2 3.47Å; S184-E285 PolarHBondContact OG-N 3.18Å |
| 185 | I | 96.7 | Very high | 95.4 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.2 | -47.3 | 177.7 | -66.2 | 170.5 | 0 | 0 | 0 | 110.9 | W174 I181 Q183 N187 V188 F189 W199 M283 F288 | W174-I185 HydrophobicContact CH2-CD1 3.72Å; W174-I185 HydrophobicContact CZ3-CD1 3.7Å; I181-I185 HydrophobicContact CG2-CD1 3.89Å; I181-I185 WeakPolarHBondContact O-CG1 3.31Å; I181-I185 PolarHBondContact O-N 2.96Å; Q183-I185 VanDerWaalsContact C-N 3.29Å; Q183-I185 PolarHBondContact O-N 3.39Å; I185-N187 PolarHBondContact O-N 2.72Å; I185-V188 PolarHBondContact O-N 2.83Å; I185-F189 HydrophobicContact CG2-CD2 3.62Å; I185-F189 HydrophobicContact CG2-CE1 4.43Å; I185-F189 HydrophobicContact CG2-CE2 3.16Å; I185-F189 HydrophobicContact CG2-CG 4.43Å; I185-F189 HydrophobicContact CG2-CZ 3.63Å; I185-F189 WeakPolarHBondContact O-CG 3.37Å; I185-F189 PolarHBondContact O-N 3Å; I185-W199 HydrophobicContact CB-CH2 3.93Å; I185-W199 HydrophobicContact CB-CZ2 4.5Å; I185-W199 HydrophobicContact CB-CZ3 4.49Å; I185-W199 HydrophobicContact CD1-CZ2 4.36Å; I185-W199 HydrophobicContact CG2-CE3 4.29Å; I185-W199 HydrophobicContact CG2-CH2 3.37Å; I185-W199 HydrophobicContact CG2-CZ2 3.85Å; I185-W199 HydrophobicContact CG2-CZ3 3.62Å; I185-M283 HydrophobicContact CD1-CE 4.08Å; I185-M283 HydrophobicContact CG1-CE 4.2Å; I185-F288 HydrophobicContact CB-CE1 4.11Å; I185-F288 HydrophobicContact CB-CZ 4.47Å; I185-F288 HydrophobicContact CG1-CD1 4.29Å; I185-F288 HydrophobicContact CG1-CE1 4.02Å; I185-F288 HydrophobicContact CG1-CE2 4.41Å; I185-F288 HydrophobicContact CG1-CZ 4.06Å; I185-F288 HydrophobicContact CG2-CE1 3.86Å; I185-F288 HydrophobicContact CG2-CZ 4.02Å |
| 186 | S | 96.2 | Very high | 95.7 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -42.8 | -176.6 | -62.9 | 0 | 0 | 0 | 0 | 112.4 | L182 Q183 V188 F189 I190 V208 | L182-S186 WeakPolarHBondContact O-CB 3.43Å; L182-S186 PolarHBondContact O-N 2.85Å; L182-S186 PolarHBondContact O-OG 2.92Å; Q183-S186 PolarHBondContact O-N 3.27Å; S186-V188 VanDerWaalsContact C-N 3.27Å; S186-V188 PolarHBondContact O-N 3.34Å; S186-F189 PolarHBondContact O-N 3.09Å; S186-I190 VanDerWaalsContact O-CG1 3.25Å; S186-I190 WeakPolarHBondContact O-CG1 3.35Å; S186-I190 PolarHBondContact O-N 3.32Å; S186-V208 WeakPolarHBondContact OG-CA 3.39Å; S186-V208 WeakPolarHBondContact OG-CB 3.3Å; S186-V208 WeakPolarHBondContact OG-CG1 3.36Å |
| 187 | N | 96.1 | Very high | 95.9 | Very high | 62 Ų | 62 | 43.3 Ų | 43.3 | 33% | 0.332 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.4 | -36.9 | 178.9 | -71.3 | -5.5 | 0 | 0 | 0 | 111.8 | Q183 I185 N191 E285 | Q183-N187 VanDerWaalsContact O-CB 3.29Å; Q183-N187 WeakPolarHBondContact O-CB 3.46Å; Q183-N187 PolarHBondContact O-N 3.19Å; Q183-N187 PolarHBondContact O-OD1 2.57Å; I185-N187 PolarHBondContact O-N 2.72Å; N187-N191 PolarHBondContact O-ND2 2.63Å; N187-E285 HydrophobicContact CB-CG 4.14Å; N187-E285 VanDerWaalsContact CB-OE2 3.24Å; N187-E285 WeakPolarHBondContact CB-OE2 3.33Å; N187-E285 PolarHBondContact ND2-OE2 2.91Å |
| 188 | V | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.5 | -52.3 | 172.8 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | S184 I185 S186 I190 N191 M192 E285 F288 R289 I292 | S184-V188 WeakPolarHBondContact O-CG2 3.47Å; I185-V188 PolarHBondContact O-N 2.83Å; S186-V188 VanDerWaalsContact C-N 3.27Å; S186-V188 PolarHBondContact O-N 3.34Å; V188-I190 VanDerWaalsContact C-N 3.34Å; V188-I190 PolarHBondContact O-N 3.43Å; V188-N191 PolarHBondContact O-N 2.98Å; V188-N191 VanDerWaalsContact O-N 3.11Å; V188-M192 HydrophobicContact CG1-CG 4.28Å; V188-M192 HydrophobicContact CG1-SD 3.83Å; V188-M192 WeakPolarHBondContact O-CG 3.21Å; V188-M192 PolarHBondContact O-N 3.05Å; V188-E285 HydrophobicContact CG2-CG 3.7Å; V188-F288 HydrophobicContact CB-CD1 3.87Å; V188-F288 HydrophobicContact CB-CE1 4.18Å; V188-F288 HydrophobicContact CG1-CD1 4.12Å; V188-F288 HydrophobicContact CG1-CE1 4.31Å; V188-F288 HydrophobicContact CG2-CD1 3.81Å; V188-R289 HydrophobicContact CG1-CB 4.24Å; V188-R289 HydrophobicContact CG1-CG 4.5Å; V188-R289 HydrophobicContact CG2-CB 3.83Å; V188-I292 HydrophobicContact CG1-CD1 4.07Å |
| 189 | F | 97.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 1% | 0.013 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.4 | -34.2 | -175.6 | -66.4 | -18 | 0 | 0 | 0 | 114.3 | V166 I185 S186 N191 M192 I197 W199 H213 V214 I235 F288 I292 | V166-F189 HydrophobicContact CG2-CE2 3.78Å; V166-F189 HydrophobicContact CG2-CZ 3.47Å; V166-F189 VanDerWaalsContact CG2-CZ 3.47Å; I185-F189 HydrophobicContact CG2-CD2 3.62Å; I185-F189 HydrophobicContact CG2-CE1 4.43Å; I185-F189 HydrophobicContact CG2-CE2 3.16Å; I185-F189 HydrophobicContact CG2-CG 4.43Å; I185-F189 HydrophobicContact CG2-CZ 3.63Å; I185-F189 WeakPolarHBondContact O-CG 3.37Å; I185-F189 PolarHBondContact O-N 3Å; S186-F189 PolarHBondContact O-N 3.09Å; F189-N191 PolarHBondContact O-N 3.37Å; F189-M192 PolarHBondContact O-N 2.99Å; F189-I197 HydrophobicContact CB-CG1 4.32Å; F189-I197 HydrophobicContact CD1-CD1 4.24Å; F189-I197 HydrophobicContact CD1-CG1 4.35Å; F189-I197 HydrophobicContact CD1-CG2 4.22Å; F189-I197 HydrophobicContact CD2-CG2 3.79Å; F189-I197 HydrophobicContact CE1-CG2 4.3Å; F189-I197 HydrophobicContact CE2-CG2 3.86Å; F189-I197 HydrophobicContact CG-CG1 4.31Å; F189-I197 HydrophobicContact CG-CG2 3.98Å; F189-I197 HydrophobicContact CZ-CG2 4.13Å; F189-W199 HydrophobicContact CD2-CD2 4.49Å; F189-W199 AromaticContact CD2-CE3 3.65Å; F189-W199 HydrophobicContact CD2-CE3 3.65Å; F189-W199 AromaticContact CD2-CZ3 3.83Å; F189-W199 HydrophobicContact CD2-CZ3 3.83Å; F189-W199 HydrophobicContact CE2-CD2 4.03Å; F189-W199 AromaticContact CE2-CE3 3.61Å; F189-W199 HydrophobicContact CE2-CE3 3.61Å; F189-W199 AromaticContact CE2-CZ3 3.95Å; F189-W199 HydrophobicContact CE2-CZ3 3.95Å; F189-H213 PolarHBondContact O-NE2 3.32Å; F189-V214 HydrophobicContact CB-CG2 4.35Å; F189-I235 HydrophobicContact CE1-CD1 4.12Å; F189-I235 HydrophobicContact CZ-CD1 4.07Å; F189-F288 HydrophobicContact CD1-CE1 4.28Å; F189-F288 AromaticContact CE1-CE1 3.59Å; F189-F288 HydrophobicContact CE1-CE1 3.59Å; F189-F288 AromaticContact CE1-CZ 3.77Å; F189-F288 HydrophobicContact CE1-CZ 3.77Å; F189-F288 AromaticContact CZ-CE1 3.81Å; F189-F288 HydrophobicContact CZ-CE1 3.81Å; F189-F288 AromaticContact CZ-CZ 3.65Å; F189-F288 HydrophobicContact CZ-CZ 3.65Å; F189-I292 HydrophobicContact CE1-CD1 4.12Å |
| 190 | I | 95.7 | Very high | 96.4 | Very high | 45 Ų | 45 | 36.8 Ų | 36.8 | 23% | 0.231 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.5 | -41.9 | 174.1 | -73.1 | 163.1 | 0 | 0 | 0 | 111.6 | S186 V188 A209 K211 | S186-I190 VanDerWaalsContact O-CG1 3.25Å; S186-I190 WeakPolarHBondContact O-CG1 3.35Å; S186-I190 PolarHBondContact O-N 3.32Å; V188-I190 VanDerWaalsContact C-N 3.34Å; V188-I190 PolarHBondContact O-N 3.43Å; I190-A209 HydrophobicContact CD1-CB 3.08Å; I190-A209 HydrophobicContact CG1-CB 3.13Å; I190-K211 HydrophobicContact CG1-CG 4.18Å |
| 191 | N | 95.5 | Very high | 96.5 | Very high | 108 Ų | 108 | 31.4 Ų | 31.4 | 58% | 0.578 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -85.8 | -9.1 | -173.7 | -68.7 | -54.1 | 0 | 0 | 0 | 113.1 | N187 V188 F189 T193 | N187-N191 PolarHBondContact O-ND2 2.63Å; V188-N191 PolarHBondContact O-N 2.98Å; V188-N191 VanDerWaalsContact O-N 3.11Å; F189-N191 PolarHBondContact O-N 3.37Å; N191-T193 VanDerWaalsContact C-N 3.29Å; N191-T193 PolarHBondContact O-N 3.28Å |
| 192 | M | 96.2 | Very high | 96.5 | Very high | 25 Ų | 25 | 32.3 Ų | 32.3 | 12% | 0.123 | 17% | 0.168 | C | C | . | . | trans | -90.6 | 51.7 | 178.1 | -65.1 | -169.7 | 89.4 | 0 | 0 | 112.2 | I164 V188 F189 D194 Y195 H213 I292 L296 | I164-M192 HydrophobicContact CD1-CE 3.77Å; I164-M192 HydrophobicContact CD1-SD 4.08Å; V188-M192 HydrophobicContact CG1-CG 4.28Å; V188-M192 HydrophobicContact CG1-SD 3.83Å; V188-M192 WeakPolarHBondContact O-CG 3.21Å; V188-M192 PolarHBondContact O-N 3.05Å; F189-M192 PolarHBondContact O-N 2.99Å; M192-D194 PolarHBondContact O-N 3.37Å; M192-Y195 HydrophobicContact CB-CD2 4.29Å; M192-Y195 HydrophobicContact CE-CD2 3.78Å; M192-Y195 HydrophobicContact CE-CE2 3.95Å; M192-Y195 PolarHBondContact O-N 2.86Å; M192-H213 PolarHBondContact O-CD2 3.13Å; M192-I292 HydrophobicContact CE-CG2 3.44Å; M192-I292 VanDerWaalsContact CE-CG2 3.44Å; M192-I292 HydrophobicContact SD-CD1 4.46Å; M192-I292 HydrophobicContact SD-CG2 3.91Å; M192-L296 HydrophobicContact CE-CD1 3.72Å | ||
| 193 | T | 96.4 | Very high | 96.4 | Very high | 80 Ų | 80 | 33.1 Ų | 33.1 | 49% | 0.491 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -24.2 | -173.8 | 51.7 | 0 | 0 | 0 | 0 | 114.3 | N191 Y195 R196 | N191-T193 VanDerWaalsContact C-N 3.29Å; N191-T193 PolarHBondContact O-N 3.28Å; T193-Y195 PolarHBondContact O-N 3.11Å; T193-R196 PolarHBondContact O-NH1 3.33Å |
| 194 | D | 97.3 | Very high | 96.4 | Very high | 74 Ų | 74 | 32.2 Ų | 32.2 | 40% | 0.396 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -13.1 | 176.5 | -61.3 | -13.8 | 0 | 0 | 0 | 112.9 | S160 K161 M192 | S160-D194 CarbonylContact C-O 3.57Å; S160-D194 WeakPolarHBondContact CA-O 3.5Å; S160-D194 PolarHBondContact OG-O 2.98Å; S160-D194 VanDerWaalsContact OG-O 3.12Å; K161-D194 HydrophobicContact CD-CB 3.75Å; K161-D194 WeakPolarHBondContact CE-OD2 3.28Å; K161-D194 HydrophobicContact CG-CB 4.07Å; K161-D194 PolarHBondContact N-O 3.02Å; K161-D194 IonicContact NZ-OD2 3.12Å; K161-D194 PolarHBondContact NZ-OD2 3.35Å; M192-D194 PolarHBondContact O-N 3.37Å |
| 195 | Y | 98.1 | Very high | 96.3 | Very high | 36 Ų | 36 | 37.3 Ų | 37.3 | 14% | 0.141 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 157.7 | -179.7 | -64.7 | -84.6 | 0 | 0 | 0 | 111.1 | K161 G162 I164 M192 T193 H213 V232 L296 | K161-Y195 HydrophobicContact CB-CD1 4.08Å; K161-Y195 HydrophobicContact CB-CE1 3.65Å; K161-Y195 HydrophobicContact CD-CE2 4.49Å; G162-Y195 WeakPolarHBondContact O-CA 3.29Å; G162-Y195 WeakPolarHBondContact O-CD1 3.46Å; I164-Y195 HydrophobicContact CD1-CD1 4.32Å; I164-Y195 HydrophobicContact CD1-CG 4.12Å; I164-Y195 HydrophobicContact CG1-CD1 4.34Å; I164-Y195 HydrophobicContact CG1-CG 4.47Å; M192-Y195 HydrophobicContact CB-CD2 4.29Å; M192-Y195 HydrophobicContact CE-CD2 3.78Å; M192-Y195 HydrophobicContact CE-CE2 3.95Å; M192-Y195 PolarHBondContact O-N 2.86Å; T193-Y195 PolarHBondContact O-N 3.11Å; Y195-H213 PolarHBondContact O-CD2 3.2Å; Y195-V232 HydrophobicContact CD1-CG2 4.14Å; Y195-V232 HydrophobicContact CE1-CG2 4.13Å; Y195-L296 HydrophobicContact CE1-CD1 4.05Å; Y195-L296 HydrophobicContact CE1-CD2 4.17Å; Y195-L296 HydrophobicContact CE2-CD1 4.06Å |
| 196 | R | 98 | Very high | 96 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 124.8 | 171.4 | -60 | -70.5 | 161.4 | -90.6 | 0.9 | 108.2 | L154 D157 S159 S160 G162 T163 I164 T193 H213 | L154-R196 HydrophobicContact CD2-CB 4.49Å; L154-R196 HydrophobicContact CG-CB 4.1Å; L154-R196 HydrophobicContact CG-CG 4.41Å; L154-R196 VanDerWaalsContact O-CG 3.25Å; L154-R196 WeakPolarHBondContact O-CG 3.13Å; D157-R196 HydrophobicContact CB-CG 4.43Å; D157-R196 IonicContact OD2-CZ 3.06Å; D157-R196 IonicContact OD2-NE 3.38Å; D157-R196 PolarHBondContact OD2-NE 3.28Å; D157-R196 IonicContact OD2-NH2 2.83Å; D157-R196 PolarHBondContact OD2-NH2 3.45Å; S159-R196 PolarHBondContact OG-NH2 3.39Å; S160-R196 WeakPolarHBondContact OG-CG 3.43Å; G162-R196 PolarHBondContact O-N 3.13Å; T163-R196 CarbonylContact C-O 3.5Å; T163-R196 VanDerWaalsContact CA-O 3.24Å; T163-R196 WeakPolarHBondContact CA-O 3.44Å; I164-R196 PolarHBondContact N-O 3.29Å; T193-R196 PolarHBondContact O-NH1 3.33Å; R196-H213 VanDerWaalsContact NH1-CB 3.27Å |
| 197 | I | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.4 | -175.5 | -47.2 | -58.8 | 0 | 0 | 0 | 108.3 | I164 V166 F189 H213 V214 K215 | I164-I197 HydrophobicContact CB-CD1 3.71Å; I164-I197 HydrophobicContact CD1-CD1 3.8Å; I164-I197 HydrophobicContact CG1-CD1 4.02Å; I164-I197 HydrophobicContact CG2-CD1 4.43Å; I164-I197 WeakPolarHBondContact O-CA 3.44Å; V166-I197 HydrophobicContact CG2-CG2 4.36Å; F189-I197 HydrophobicContact CB-CG1 4.32Å; F189-I197 HydrophobicContact CD1-CD1 4.24Å; F189-I197 HydrophobicContact CD1-CG1 4.35Å; F189-I197 HydrophobicContact CD1-CG2 4.22Å; F189-I197 HydrophobicContact CD2-CG2 3.79Å; F189-I197 HydrophobicContact CE1-CG2 4.3Å; F189-I197 HydrophobicContact CE2-CG2 3.86Å; F189-I197 HydrophobicContact CG-CG1 4.31Å; F189-I197 HydrophobicContact CG-CG2 3.98Å; F189-I197 HydrophobicContact CZ-CG2 4.13Å; I197-H213 PolarHBondContact N-O 2.94Å; I197-V214 HydrophobicContact CB-CB 4.38Å; I197-V214 HydrophobicContact CB-CG1 4.22Å; I197-V214 HydrophobicContact CB-CG2 4.06Å; I197-V214 HydrophobicContact CG1-CG2 4.09Å; I197-V214 HydrophobicContact CG2-CG1 4.38Å; I197-V214 CarbonylContact O-C 3.53Å; I197-V214 WeakPolarHBondContact O-CA 3.27Å; I197-K215 PolarHBondContact O-N 2.86Å |
| 198 | V | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 108.4 | 173.1 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | F151 L154 V155 T163 I164 I165 V166 L220 L225 | F151-V198 HydrophobicContact CD1-CG1 4.08Å; F151-V198 HydrophobicContact CE1-CG1 3.77Å; L154-V198 HydrophobicContact CD2-CG2 3.65Å; V155-V198 HydrophobicContact CG1-CG2 4.43Å; T163-V198 HydrophobicContact CG2-CG2 3.99Å; I164-V198 PolarHBondContact O-N 2.78Å; I165-V198 CarbonylContact C-O 3.43Å; I165-V198 WeakPolarHBondContact CA-O 3.22Å; V166-V198 PolarHBondContact N-O 2.97Å; V198-L220 HydrophobicContact CG1-CD1 3.88Å; V198-L220 HydrophobicContact CG1-CD2 3.45Å; V198-L220 VanDerWaalsContact CG1-CD2 3.45Å; V198-L220 HydrophobicContact CG1-CG 4.3Å; V198-L225 HydrophobicContact CG1-CD1 3.81Å; V198-L225 HydrophobicContact CG2-CD2 4.45Å |
| 199 | W | 97.4 | Very high | 94.8 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 1% | 0.011 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 115.5 | -172.9 | -176.4 | 3.6 | 0 | 0 | 0 | 111.5 | V166 W174 L182 I185 F189 Y201 V208 K215 L216 A217 | V166-W199 HydrophobicContact CB-CB 4.1Å; V166-W199 HydrophobicContact CB-CG 3.92Å; V166-W199 HydrophobicContact CG1-CG 4.21Å; V166-W199 HydrophobicContact CG2-CB 4.29Å; V166-W199 HydrophobicContact CG2-CG 4.31Å; W174-W199 HydrophobicContact CD2-CZ2 4.3Å; W174-W199 AromaticContact CD2-NE1 3.81Å; W174-W199 AromaticContact CE2-NE1 3.3Å; W174-W199 VanDerWaalsContact CE2-NE1 3.3Å; W174-W199 AromaticContact CE3-CZ2 3.87Å; W174-W199 HydrophobicContact CE3-CZ2 3.87Å; W174-W199 AromaticContact CH2-CZ2 3.84Å; W174-W199 HydrophobicContact CH2-CZ2 3.84Å; W174-W199 AromaticContact CH2-NE1 3.71Å; W174-W199 HydrophobicContact CZ2-CZ2 4.24Å; W174-W199 AromaticContact CZ2-NE1 3.21Å; W174-W199 AromaticContact CZ3-CZ2 3.65Å; W174-W199 HydrophobicContact CZ3-CZ2 3.65Å; W174-W199 AromaticContact NE1-NE1 3.73Å; L182-W199 HydrophobicContact CD2-CH2 4.29Å; L182-W199 HydrophobicContact CD2-CZ2 4.21Å; I185-W199 HydrophobicContact CB-CH2 3.93Å; I185-W199 HydrophobicContact CB-CZ2 4.5Å; I185-W199 HydrophobicContact CB-CZ3 4.49Å; I185-W199 HydrophobicContact CD1-CZ2 4.36Å; I185-W199 HydrophobicContact CG2-CE3 4.29Å; I185-W199 HydrophobicContact CG2-CH2 3.37Å; I185-W199 HydrophobicContact CG2-CZ2 3.85Å; I185-W199 HydrophobicContact CG2-CZ3 3.62Å; F189-W199 HydrophobicContact CD2-CD2 4.49Å; F189-W199 AromaticContact CD2-CE3 3.65Å; F189-W199 HydrophobicContact CD2-CE3 3.65Å; F189-W199 AromaticContact CD2-CZ3 3.83Å; F189-W199 HydrophobicContact CD2-CZ3 3.83Å; F189-W199 HydrophobicContact CE2-CD2 4.03Å; F189-W199 AromaticContact CE2-CE3 3.61Å; F189-W199 HydrophobicContact CE2-CE3 3.61Å; F189-W199 AromaticContact CE2-CZ3 3.95Å; F189-W199 HydrophobicContact CE2-CZ3 3.95Å; W199-Y201 HydrophobicContact CZ2-CD2 4.03Å; W199-Y201 HydrophobicContact CZ2-CE2 4.44Å; W199-Y201 PolarHBondContact O-N 3.19Å; W199-Y201 VanDerWaalsContact O-N 3.13Å; W199-V208 HydrophobicContact CH2-CG1 3.77Å; W199-V208 HydrophobicContact CZ3-CB 4.27Å; W199-V208 HydrophobicContact CZ3-CG1 3.96Å; W199-K215 PolarHBondContact N-O 3.06Å; W199-L216 HydrophobicContact CB-CD2 3.86Å; W199-L216 HydrophobicContact CD2-CD2 4.14Å; W199-L216 HydrophobicContact CE3-CD2 3.9Å; W199-L216 HydrophobicContact CG-CD2 4.17Å; W199-L216 WeakPolarHBondContact O-CA 3.41Å; W199-A217 PolarHBondContact O-N 3.23Å; W199-A217 VanDerWaalsContact O-N 3.12Å |
| 200 | Q | 96.8 | Very high | 94.1 | Very high | 19 Ų | 19 | 54.6 Ų | 54.6 | 9% | 0.089 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 107 | 167.5 | -167.9 | -167.6 | 1.8 | 0 | 0 | 109.4 | V166 S167 G169 W174 A217 A218 L220 | V166-Q200 WeakPolarHBondContact O-CB 3.27Å; V166-Q200 PolarHBondContact O-N 3.29Å; S167-Q200 PolarHBondContact OG-OE1 2.86Å; G169-Q200 PolarHBondContact O-NE2 3.42Å; W174-Q200 PolarHBondContact NE1-O 3.28Å; Q200-A217 CarbonylContact C-O 3.55Å; Q200-A217 WeakPolarHBondContact CA-O 3.29Å; Q200-A218 WeakPolarHBondContact CG-O 3.34Å; Q200-A218 PolarHBondContact NE2-O 2.86Å; Q200-L220 HydrophobicContact CB-CD1 3.8Å; Q200-L220 HydrophobicContact CB-CG 3.91Å; Q200-L220 HydrophobicContact CG-CG 4.37Å |
| 201 | Y | 96.4 | Very high | 94 | Very high | 8 Ų | 8 | 57.2 Ų | 57.2 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | trans | -144 | 122.1 | -172.9 | -174.9 | -102.8 | 0 | 0 | 0 | 110.7 | W174 L182 W199 G203 D204 V208 L216 A217 | W174-Y201 HydrophobicContact CB-CD2 3.44Å; W174-Y201 VanDerWaalsContact CB-CD2 3.44Å; W174-Y201 HydrophobicContact CB-CE2 3.57Å; W174-Y201 HydrophobicContact CB-CG 4.38Å; W174-Y201 HydrophobicContact CD2-CD2 4.13Å; W174-Y201 HydrophobicContact CE3-CD2 4.48Å; W174-Y201 AromaticContact CG-CD2 3.71Å; W174-Y201 HydrophobicContact CG-CD2 3.71Å; W174-Y201 HydrophobicContact CG-CE2 4.21Å; L182-Y201 HydrophobicContact CD1-CE2 4.49Å; L182-Y201 HydrophobicContact CD2-CE2 3.77Å; W199-Y201 HydrophobicContact CZ2-CD2 4.03Å; W199-Y201 HydrophobicContact CZ2-CE2 4.44Å; W199-Y201 PolarHBondContact O-N 3.19Å; W199-Y201 VanDerWaalsContact O-N 3.13Å; Y201-G203 VanDerWaalsContact CE1-CA 3.46Å; Y201-G203 VanDerWaalsContact CE1-O 3.23Å; Y201-G203 WeakPolarHBondContact CE1-O 3.39Å; Y201-D204 PolarHBondContact OH-O 2.83Å; Y201-D204 VanDerWaalsContact OH-O 3.09Å; Y201-V208 HydrophobicContact CD1-CG2 4.36Å; Y201-V208 HydrophobicContact CE1-CG1 4.4Å; Y201-V208 HydrophobicContact CE1-CG2 3.94Å; Y201-V208 HydrophobicContact CE2-CG1 3.93Å; Y201-L216 HydrophobicContact CD1-CD1 4.26Å; Y201-A217 PolarHBondContact N-O 2.89Å; Y201-A217 CarbonylContact O-C 3.38Å | ||
| 202 | D | 94.5 | Very high | 93.9 | Very high | 58 Ų | 58 | 57 Ų | 57 | 31% | 0.31 | 30% | 0.298 | S | S | . | . | trans | -112.1 | 12.8 | -179.8 | 72.6 | -24.2 | 0 | 0 | 0 | 113 | K173 W174 K175 | K173-D202 VanDerWaalsContact CD-OD2 3.32Å; K173-D202 WeakPolarHBondContact CD-OD2 3.45Å; W174-D202 WeakPolarHBondContact CA-OD1 3.48Å; W174-D202 WeakPolarHBondContact CB-OD1 3.4Å; W174-D202 PolarHBondContact N-OD1 3.37Å; K175-D202 PolarHBondContact N-OD1 3.4Å | ||
| 203 | G | 93.3 | Very high | 93.9 | Very high | 17 Ų | 17 | 56.6 Ų | 56.6 | 18% | 0.175 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -92.7 | -175 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y201 K205 | Y201-G203 VanDerWaalsContact CE1-CA 3.46Å; Y201-G203 VanDerWaalsContact CE1-O 3.23Å; Y201-G203 WeakPolarHBondContact CE1-O 3.39Å; G203-K205 PolarHBondContact O-N 3.43Å |
| 204 | D | 93.5 | Very high | 93.9 | Very high | 85 Ų | 85 | 53.3 Ų | 53.3 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | trans | -69.9 | 114.7 | 173.3 | 179.8 | 4.3 | 0 | 0 | 0 | 110.6 | Y201 K206 R207 | Y201-D204 PolarHBondContact OH-O 2.83Å; Y201-D204 VanDerWaalsContact OH-O 3.09Å; D204-K206 PolarHBondContact O-N 2.85Å; D204-K206 WeakPolarHBondContact OD1-CB 3.34Å; D204-K206 WeakPolarHBondContact OD1-CG 3.22Å; D204-K206 PolarHBondContact OD1-N 2.97Å; D204-R207 HydrophobicContact CB-CG 4.09Å; D204-R207 WeakPolarHBondContact O-CB 3.45Å; D204-R207 PolarHBondContact O-N 2.94Å | ||
| 205 | K | 92.4 | Very high | 93.8 | Very high | 126 Ų | 126 | 52.8 Ų | 52.8 | 55% | 0.548 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -58 | -20.4 | 179.3 | -64.1 | -175.1 | 179.8 | -179 | 0 | 113.1 | G203 R207 V208 L216 | G203-K205 PolarHBondContact O-N 3.43Å; K205-R207 PolarHBondContact O-N 2.69Å; K205-V208 WeakPolarHBondContact O-CG2 3.15Å; K205-V208 PolarHBondContact O-N 2.77Å; K205-L216 HydrophobicContact CB-CD1 4.36Å; K205-L216 HydrophobicContact CD-CD1 4.38Å; K205-L216 HydrophobicContact CG-CD1 3.99Å |
| 206 | K | 91.2 | Very high | 93.7 | Very high | 191 Ų | 191 | 51.8 Ų | 51.8 | 83% | 0.83 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -68.4 | -19.3 | 174.6 | -61.7 | 176.1 | -179.2 | 179.4 | 0 | 113.2 | D204 V208 | D204-K206 PolarHBondContact O-N 2.85Å; D204-K206 WeakPolarHBondContact OD1-CB 3.34Å; D204-K206 WeakPolarHBondContact OD1-CG 3.22Å; D204-K206 PolarHBondContact OD1-N 2.97Å; K206-V208 VanDerWaalsContact C-N 3.34Å |
| 207 | R | 93.1 | Very high | 93.6 | Very high | 79 Ų | 79 | 51.7 Ų | 51.7 | 30% | 0.298 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -85.9 | -7.5 | -179.7 | -60.7 | 178.2 | 66.7 | -155.1 | -1.7 | 113.6 | K175 A177 T179 L182 D204 K205 | K175-R207 PolarHBondContact O-NH1 3.48Å; A177-R207 PolarHBondContact O-NH1 3.21Å; A177-R207 PolarHBondContact O-NH2 2.9Å; T179-R207 PolarHBondContact OG1-NH2 2.81Å; L182-R207 HydrophobicContact CD1-CB 3.92Å; D204-R207 HydrophobicContact CB-CG 4.09Å; D204-R207 WeakPolarHBondContact O-CB 3.45Å; D204-R207 PolarHBondContact O-N 2.94Å; K205-R207 PolarHBondContact O-N 2.69Å |
| 208 | V | 93.6 | Very high | 93.3 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -128.3 | 156.4 | -179.9 | -64 | 0 | 0 | 0 | 0 | 109.2 | L182 S186 W199 Y201 K205 K206 N210 L216 | L182-V208 HydrophobicContact CB-CG1 4.29Å; L182-V208 HydrophobicContact CD2-CG1 4.16Å; S186-V208 WeakPolarHBondContact OG-CA 3.39Å; S186-V208 WeakPolarHBondContact OG-CB 3.3Å; S186-V208 WeakPolarHBondContact OG-CG1 3.36Å; W199-V208 HydrophobicContact CH2-CG1 3.77Å; W199-V208 HydrophobicContact CZ3-CB 4.27Å; W199-V208 HydrophobicContact CZ3-CG1 3.96Å; Y201-V208 HydrophobicContact CD1-CG2 4.36Å; Y201-V208 HydrophobicContact CE1-CG1 4.4Å; Y201-V208 HydrophobicContact CE1-CG2 3.94Å; Y201-V208 HydrophobicContact CE2-CG1 3.93Å; K205-V208 WeakPolarHBondContact O-CG2 3.15Å; K205-V208 PolarHBondContact O-N 2.77Å; K206-V208 VanDerWaalsContact C-N 3.34Å; V208-N210 PolarHBondContact O-N 3.46Å; V208-L216 HydrophobicContact CG2-CD1 3.49Å; V208-L216 VanDerWaalsContact CG2-CD1 3.49Å |
| 209 | A | 79 | Confident | 93.1 | Very high | 27 Ų | 27 | 62.4 Ų | 62.4 | 22% | 0.223 | 33% | 0.326 | C | S | . | . | trans | -76.3 | 130.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I190 | I190-A209 HydrophobicContact CD1-CB 3.08Å; I190-A209 HydrophobicContact CG1-CB 3.13Å | ||
| 210 | N | 82.5 | Confident | 93.1 | Very high | 131 Ų | 131 | 62.5 Ų | 62.5 | 70% | 0.701 | 33% | 0.327 | S | S | * | . | trans | -97.9 | 98.7 | 177.5 | -169.8 | 29.6 | 0 | 0 | 0 | 109.7 | V208 | V208-N210 PolarHBondContact O-N 3.46Š| ||
| 211 | K | 93.7 | Very high | 93 | Very high | 101 Ų | 101 | 63.1 Ų | 63.1 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | trans | -119 | 150.8 | 176.5 | -64.5 | -66.1 | -172.7 | 176.4 | 0 | 109.6 | I190 H213 V214 | I190-K211 HydrophobicContact CG1-CG 4.18Å; K211-H213 VanDerWaalsContact CB-CE1 3.42Å; K211-H213 WeakPolarHBondContact CB-CE1 3.44Å; K211-H213 WeakPolarHBondContact CB-ND1 3.36Å; K211-H213 PolarHBondContact O-N 3.23Å; K211-H213 VanDerWaalsContact O-N 3.16Å; K211-V214 HydrophobicContact CB-CG2 4.19Å; K211-V214 PolarHBondContact O-N 2.75Å | ||
| 212 | A | 93.6 | Very high | 93 | Very high | 103 Ų | 103 | 63.5 Ų | 63.5 | 85% | 0.851 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -32.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V214 | A212-V214 VanDerWaalsContact C-N 3.29Å; A212-V214 PolarHBondContact O-N 3.26Å |
| 213 | H | 95.9 | Very high | 93.1 | Very high | 17 Ų | 17 | 62.1 Ų | 62.1 | 8% | 0.079 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -0.8 | 177.2 | 66.7 | -70.7 | 0 | 0 | 0 | 114.3 | F189 M192 Y195 R196 I197 K211 | F189-H213 PolarHBondContact O-NE2 3.32Å; M192-H213 PolarHBondContact O-CD2 3.13Å; Y195-H213 PolarHBondContact O-CD2 3.2Å; R196-H213 VanDerWaalsContact NH1-CB 3.27Å; I197-H213 PolarHBondContact N-O 2.94Å; K211-H213 VanDerWaalsContact CB-CE1 3.42Å; K211-H213 WeakPolarHBondContact CB-CE1 3.44Å; K211-H213 WeakPolarHBondContact CB-ND1 3.36Å; K211-H213 PolarHBondContact O-N 3.23Å; K211-H213 VanDerWaalsContact O-N 3.16Å |
| 214 | V | 96.5 | Very high | 93.3 | Very high | 10 Ų | 10 | 61.8 Ų | 61.8 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 110 | -178.9 | -176 | 0 | 0 | 0 | 0 | 109.7 | F189 I197 K211 A212 L216 | F189-V214 HydrophobicContact CB-CG2 4.35Å; I197-V214 HydrophobicContact CB-CB 4.38Å; I197-V214 HydrophobicContact CB-CG1 4.22Å; I197-V214 HydrophobicContact CB-CG2 4.06Å; I197-V214 HydrophobicContact CG1-CG2 4.09Å; I197-V214 HydrophobicContact CG2-CG1 4.38Å; I197-V214 CarbonylContact O-C 3.53Å; I197-V214 WeakPolarHBondContact O-CA 3.27Å; K211-V214 HydrophobicContact CB-CG2 4.19Å; K211-V214 PolarHBondContact O-N 2.75Å; A212-V214 VanDerWaalsContact C-N 3.29Å; A212-V214 PolarHBondContact O-N 3.26Å; V214-L216 HydrophobicContact CG1-CD2 4.06Å |
| 215 | K | 95.5 | Very high | 93.5 | Very high | 63 Ų | 63 | 57.8 Ų | 57.8 | 27% | 0.274 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 118.4 | 177.1 | 179.3 | 76.4 | 170.9 | -174.7 | 0 | 110.4 | D150 F151 L154 I197 W199 | D150-K215 WeakPolarHBondContact OD2-CE 3.42Å; D150-K215 IonicContact OD2-NZ 2.83Å; D150-K215 PolarHBondContact OD2-NZ 3.28Å; F151-K215 HydrophobicContact CD1-CG 4.37Å; F151-K215 HydrophobicContact CE1-CG 4.06Å; L154-K215 HydrophobicContact CD2-CB 3.43Å; L154-K215 VanDerWaalsContact CD2-CB 3.43Å; L154-K215 HydrophobicContact CD2-CG 4.24Å; I197-K215 PolarHBondContact O-N 2.86Å; W199-K215 PolarHBondContact N-O 3.06Å |
| 216 | L | 95.6 | Very high | 93.8 | Very high | 16 Ų | 16 | 51.9 Ų | 51.9 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 130.5 | 174.8 | -54 | 179.4 | 0 | 0 | 0 | 110.6 | W199 Y201 K205 V208 V214 | W199-L216 HydrophobicContact CB-CD2 3.86Å; W199-L216 HydrophobicContact CD2-CD2 4.14Å; W199-L216 HydrophobicContact CE3-CD2 3.9Å; W199-L216 HydrophobicContact CG-CD2 4.17Å; W199-L216 WeakPolarHBondContact O-CA 3.41Å; Y201-L216 HydrophobicContact CD1-CD1 4.26Å; K205-L216 HydrophobicContact CB-CD1 4.36Å; K205-L216 HydrophobicContact CD-CD1 4.38Å; K205-L216 HydrophobicContact CG-CD1 3.99Å; V208-L216 HydrophobicContact CG2-CD1 3.49Å; V208-L216 VanDerWaalsContact CG2-CD1 3.49Å; V214-L216 HydrophobicContact CG1-CD2 4.06Å |
| 217 | A | 94.3 | Very high | 94.1 | Very high | 21 Ų | 21 | 48.8 Ų | 48.8 | 17% | 0.174 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 146.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F151 W199 Q200 Y201 W219 L220 | F151-A217 HydrophobicContact CZ-CB 4Å; W199-A217 PolarHBondContact O-N 3.23Å; W199-A217 VanDerWaalsContact O-N 3.12Å; Q200-A217 CarbonylContact C-O 3.55Å; Q200-A217 WeakPolarHBondContact CA-O 3.29Å; Y201-A217 PolarHBondContact N-O 2.89Å; Y201-A217 CarbonylContact O-C 3.38Å; A217-W219 VanDerWaalsContact C-N 3.26Å; A217-W219 PolarHBondContact O-N 3.37Å; A217-L220 HydrophobicContact CB-CD2 3.9Å |
| 218 | A | 93.4 | Very high | 94.3 | Very high | 66 Ų | 66 | 46.1 Ų | 46.1 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -68.8 | -28.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q200 | Q200-A218 WeakPolarHBondContact CG-O 3.34Å; Q200-A218 PolarHBondContact NE2-O 2.86Å |
| 219 | W | 93.7 | Very high | 94.4 | Very high | 160 Ų | 160 | 51.4 Ų | 51.4 | 61% | 0.606 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -137.9 | 144.9 | 178.3 | -153.3 | 87 | 0 | 0 | 0 | 109.9 | H170 A217 | H170-W219 AromaticContact NE2-CD1 3.95Å; H170-W219 AromaticContact NE2-NE1 3.14Å; H170-W219 PolarHBondContact NE2-NE1 3.01Å; H170-W219 VanDerWaalsContact NE2-NE1 3.14Å; A217-W219 VanDerWaalsContact C-N 3.26Å; A217-W219 PolarHBondContact O-N 3.37Å |
| 220 | L | 95.6 | Very high | 95.3 | Very high | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | trans | -121.6 | 140.3 | -176.4 | -63.2 | -175.2 | 0 | 0 | 0 | 110.2 | F151 I165 V198 Q200 A217 L222 L225 | F151-L220 HydrophobicContact CE1-CD2 3.75Å; F151-L220 HydrophobicContact CZ-CD2 3.92Å; I165-L220 HydrophobicContact CG2-CD1 4.03Å; V198-L220 HydrophobicContact CG1-CD1 3.88Å; V198-L220 HydrophobicContact CG1-CD2 3.45Å; V198-L220 VanDerWaalsContact CG1-CD2 3.45Å; V198-L220 HydrophobicContact CG1-CG 4.3Å; Q200-L220 HydrophobicContact CB-CD1 3.8Å; Q200-L220 HydrophobicContact CB-CG 3.91Å; Q200-L220 HydrophobicContact CG-CG 4.37Å; A217-L220 HydrophobicContact CB-CD2 3.9Å; L220-L222 PolarHBondContact O-N 2.99Å; L220-L225 HydrophobicContact CB-CD1 3.95Å; L220-L225 HydrophobicContact CD1-CD1 4.27Å; L220-L225 HydrophobicContact CD2-CD1 4.37Å; L220-L225 HydrophobicContact CG-CD1 4.44Å | ||
| 221 | P | 96 | Very high | 96.1 | Very high | 32 Ų | 32 | 46.9 Ų | 46.9 | 21% | 0.208 | 26% | 0.259 | C | S | . | . | trans | -71.2 | 64.2 | 165.8 | 32.1 | -34.9 | 0 | 0 | 0 | 110 | L147 F151 A224 L225 | L147-P221 HydrophobicContact CD2-CB 4.16Å; L147-P221 HydrophobicContact CD2-CG 3.59Å; F151-P221 HydrophobicContact CD2-CG 3.91Å; F151-P221 HydrophobicContact CE2-CG 4.05Å; F151-P221 HydrophobicContact CG-CG 4.34Å; P221-A224 HydrophobicContact CB-CB 4.35Å; P221-A224 WeakPolarHBondContact O-CB 2.92Å; P221-A224 PolarHBondContact O-N 3.46Å; P221-L225 HydrophobicContact CG-CD1 4.27Å; P221-L225 HydrophobicContact CG-CG 4.24Å; P221-L225 PolarHBondContact O-N 3.39Å | ||
| 222 | L | 96.3 | Very high | 96.3 | Very high | 16 Ų | 16 | 44 Ų | 44 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.5 | -45.4 | -163.9 | 178.7 | 66.3 | 0 | 0 | 0 | 113.3 | I165 L220 A224 L225 L226 F234 E245 | I165-L222 HydrophobicContact CG2-CD1 3.81Å; L220-L222 PolarHBondContact O-N 2.99Å; L222-A224 VanDerWaalsContact C-N 3.28Å; L222-A224 PolarHBondContact O-N 2.83Å; L222-L225 PolarHBondContact O-N 3.42Å; L222-L226 HydrophobicContact CD1-CD1 3.83Å; L222-L226 HydrophobicContact CD1-CG 3.86Å; L222-L226 HydrophobicContact CD2-CD1 4.42Å; L222-L226 HydrophobicContact CG-CD1 3.78Å; L222-L226 HydrophobicContact CG-CG 4.25Å; L222-L226 WeakPolarHBondContact O-CB 3.2Å; L222-L226 WeakPolarHBondContact O-CG 3.35Å; L222-L226 PolarHBondContact O-N 2.84Å; L222-F234 HydrophobicContact CD1-CE2 3.73Å; L222-F234 HydrophobicContact CD1-CZ 3.89Å; L222-F234 HydrophobicContact CD2-CZ 3.97Å; L222-F234 HydrophobicContact CG-CZ 4.49Å; L222-E245 VanDerWaalsContact CD2-OE2 3.3Å; L222-E245 WeakPolarHBondContact CD2-OE2 3.42Å |
| 223 | P | 96.8 | Very high | 96.5 | Very high | 29 Ų | 29 | 39.1 Ų | 39.1 | 19% | 0.188 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.4 | -37.6 | 175.5 | -28.4 | 37.8 | 0 | 0 | 0 | 113.8 | P142 P144 K227 F249 | P142-P223 HydrophobicContact CB-CB 4.1Å; P142-P223 HydrophobicContact CB-CG 4.18Å; P142-P223 HydrophobicContact CG-CB 3.91Å; P142-P223 HydrophobicContact CG-CG 4.11Å; P144-P223 HydrophobicContact CB-CB 4Å; P223-K227 WeakPolarHBondContact O-CB 3.27Å; P223-K227 PolarHBondContact O-N 2.87Å; P223-F249 HydrophobicContact CB-CE2 4.21Å |
| 224 | A | 97.4 | Very high | 96.7 | Very high | 10 Ų | 10 | 38.3 Ų | 38.3 | 8% | 0.083 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -72.3 | -42.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | P144 A145 L147 P221 L222 K227 H228 | P144-A224 VanDerWaalsContact CB-CA 3.47Å; P144-A224 HydrophobicContact CB-CB 3.77Å; A145-A224 VanDerWaalsContact O-CB 3.26Å; A145-A224 WeakPolarHBondContact O-CB 3.39Å; L147-A224 HydrophobicContact CD2-CB 3.43Å; L147-A224 VanDerWaalsContact CD2-CB 3.43Å; L147-A224 HydrophobicContact CG-CB 3.81Å; P221-A224 HydrophobicContact CB-CB 4.35Å; P221-A224 WeakPolarHBondContact O-CB 2.92Å; P221-A224 PolarHBondContact O-N 3.46Å; L222-A224 VanDerWaalsContact C-N 3.28Å; L222-A224 PolarHBondContact O-N 2.83Å; A224-K227 PolarHBondContact O-N 3.46Å; A224-H228 PolarHBondContact O-N 3.25Å |
| 225 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 174.1 | -67.1 | 167.9 | 0 | 0 | 0 | 111.5 | L147 F151 V155 I165 V198 L220 P221 L222 H228 T231 | L147-L225 HydrophobicContact CD1-CD2 4.25Å; L147-L225 HydrophobicContact CD2-CD2 3.78Å; L147-L225 HydrophobicContact CD2-CG 3.85Å; F151-L225 HydrophobicContact CB-CD2 4.27Å; F151-L225 HydrophobicContact CD1-CD2 4.2Å; F151-L225 HydrophobicContact CG-CD2 4.47Å; V155-L225 HydrophobicContact CG1-CD2 3.95Å; I165-L225 HydrophobicContact CD1-CB 3.48Å; I165-L225 VanDerWaalsContact CD1-CB 3.48Å; I165-L225 HydrophobicContact CG1-CB 4.25Å; V198-L225 HydrophobicContact CG1-CD1 3.81Å; V198-L225 HydrophobicContact CG2-CD2 4.45Å; L220-L225 HydrophobicContact CB-CD1 3.95Å; L220-L225 HydrophobicContact CD1-CD1 4.27Å; L220-L225 HydrophobicContact CD2-CD1 4.37Å; L220-L225 HydrophobicContact CG-CD1 4.44Å; P221-L225 HydrophobicContact CG-CD1 4.27Å; P221-L225 HydrophobicContact CG-CG 4.24Å; P221-L225 PolarHBondContact O-N 3.39Å; L222-L225 PolarHBondContact O-N 3.42Å; L225-H228 VanDerWaalsContact O-CB 3.25Å; L225-H228 WeakPolarHBondContact O-CB 3.48Å; L225-H228 PolarHBondContact O-N 3.17Å; L225-T231 WeakPolarHBondContact O-CB 3.26Å; L225-T231 PolarHBondContact O-OG1 3.12Å |
| 226 | L | 98.2 | Very high | 96.9 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.6 | -37.6 | 179.7 | -74.4 | 172.4 | 0 | 0 | 0 | 112.7 | I165 L222 H228 F234 E245 F249 V251 | I165-L226 HydrophobicContact CD1-CD2 3.91Å; I165-L226 HydrophobicContact CD1-CG 4.18Å; L222-L226 HydrophobicContact CD1-CD1 3.83Å; L222-L226 HydrophobicContact CD1-CG 3.86Å; L222-L226 HydrophobicContact CD2-CD1 4.42Å; L222-L226 HydrophobicContact CG-CD1 3.78Å; L222-L226 HydrophobicContact CG-CG 4.25Å; L222-L226 WeakPolarHBondContact O-CB 3.2Å; L222-L226 WeakPolarHBondContact O-CG 3.35Å; L222-L226 PolarHBondContact O-N 2.84Å; L226-H228 PolarHBondContact O-N 3.19Å; L226-F234 HydrophobicContact CD1-CE1 4.34Å; L226-F234 HydrophobicContact CD2-CB 3.98Å; L226-F234 HydrophobicContact CD2-CD1 4.03Å; L226-F234 HydrophobicContact CD2-CD2 4.15Å; L226-F234 HydrophobicContact CD2-CE1 4.5Å; L226-F234 HydrophobicContact CD2-CG 3.82Å; L226-E245 HydrophobicContact CD1-CB 3.77Å; L226-F249 HydrophobicContact CB-CB 4.09Å; L226-F249 HydrophobicContact CB-CD2 3.47Å; L226-F249 VanDerWaalsContact CB-CD2 3.47Å; L226-F249 HydrophobicContact CB-CE2 4.24Å; L226-F249 HydrophobicContact CB-CG 4.08Å; L226-F249 HydrophobicContact CD1-CD2 4.34Å; L226-F249 WeakPolarHBondContact O-CB 3.38Å; L226-V251 HydrophobicContact CD2-CB 4.16Å; L226-V251 HydrophobicContact CD2-CG1 4.24Å; L226-V251 HydrophobicContact CD2-CG2 4.07Å; L226-V251 WeakPolarHBondContact O-CG2 3.49Å |
| 227 | K | 97.2 | Very high | 97 | Very high | 127 Ų | 127 | 35.1 Ų | 35.1 | 55% | 0.552 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -67.8 | -23.9 | 176.4 | -172.3 | 178.7 | 175.3 | -173.8 | 0 | 112.7 | P144 P223 A224 F249 | P144-K227 HydrophobicContact CG-CB 4.16Å; P144-K227 HydrophobicContact CG-CD 3.31Å; P144-K227 HydrophobicContact CG-CG 4.35Å; P223-K227 WeakPolarHBondContact O-CB 3.27Å; P223-K227 PolarHBondContact O-N 2.87Å; A224-K227 PolarHBondContact O-N 3.46Å; K227-F249 HydrophobicContact CB-CD1 3.67Å; K227-F249 HydrophobicContact CB-CE1 3.64Å; K227-F249 HydrophobicContact CB-CG 4.19Å; K227-F249 HydrophobicContact CB-CZ 4.12Å; K227-F249 HydrophobicContact CD-CE1 4.07Å; K227-F249 HydrophobicContact CG-CD1 3.91Å; K227-F249 HydrophobicContact CG-CE1 3.83Å |
| 228 | H | 97.4 | Very high | 97 | Very high | 22 Ų | 22 | 34.1 Ų | 34.1 | 10% | 0.102 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -56.6 | 131.8 | -174.9 | -163.6 | -97.8 | 0 | 0 | 0 | 111.7 | V155 D156 A224 L225 L226 K230 T231 | V155-H228 PolarHBondContact O-CE1 2.76Å; D156-H228 IonicContact OD1-CE1 2.77Å; D156-H228 PolarHBondContact OD1-CE1 3.3Å; D156-H228 IonicContact OD1-NE2 3.59Å; D156-H228 PolarHBondContact OD1-NE2 3.02Å; A224-H228 PolarHBondContact O-N 3.25Å; L225-H228 VanDerWaalsContact O-CB 3.25Å; L225-H228 WeakPolarHBondContact O-CB 3.48Å; L225-H228 PolarHBondContact O-N 3.17Å; L226-H228 PolarHBondContact O-N 3.19Å; H228-K230 PolarHBondContact ND1-N 2.93Å; H228-K230 PolarHBondContact O-N 3.26Å; H228-K230 VanDerWaalsContact O-N 3.14Å; H228-T231 WeakPolarHBondContact O-CB 3.37Å; H228-T231 PolarHBondContact O-N 3.01Å |
| 229 | P | 96.1 | Very high | 97.1 | Very high | 121 Ų | 121 | 31.4 Ų | 31.4 | 79% | 0.786 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -26.2 | -173 | 23.4 | -34.7 | 0 | 0 | 0 | 113.8 | T231 | P229-T231 VanDerWaalsContact C-N 3.32Š|
| 230 | K | 97.4 | Very high | 97 | Very high | 62 Ų | 62 | 24.6 Ų | 24.6 | 27% | 0.27 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -0.7 | 176 | -73.7 | -177.3 | 163.4 | 179.9 | 0 | 114 | V155 D156 D157 G162 T163 H228 V232 | V155-K230 VanDerWaalsContact O-CD 3.29Å; V155-K230 WeakPolarHBondContact O-CD 3.33Å; D156-K230 PolarHBondContact O-NZ 2.95Å; D157-K230 PolarHBondContact O-NZ 3.37Å; G162-K230 CarbonylContact C-O 3.58Å; G162-K230 WeakPolarHBondContact CA-O 3.46Å; T163-K230 PolarHBondContact N-O 2.69Å; H228-K230 PolarHBondContact ND1-N 2.93Å; H228-K230 PolarHBondContact O-N 3.26Å; H228-K230 VanDerWaalsContact O-N 3.14Å; K230-V232 PolarHBondContact O-N 3.12Å |
| 231 | T | 98.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 116.3 | 178.1 | -65.5 | 0 | 0 | 0 | 0 | 111 | I165 L225 H228 P229 V251 | I165-T231 HydrophobicContact CD1-CG2 3.52Å; I165-T231 HydrophobicContact CG1-CG2 4.23Å; L225-T231 WeakPolarHBondContact O-CB 3.26Å; L225-T231 PolarHBondContact O-OG1 3.12Å; H228-T231 WeakPolarHBondContact O-CB 3.37Å; H228-T231 PolarHBondContact O-N 3.01Å; P229-T231 VanDerWaalsContact C-N 3.32Å; T231-V251 HydrophobicContact CG2-CG1 3.82Å; T231-V251 HydrophobicContact CG2-CG2 3.92Å |
| 232 | V | 98.4 | Very high | 96.8 | Very high | 40 Ų | 40 | 29.4 Ų | 29.4 | 24% | 0.242 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -27.1 | -171.5 | -67.9 | 0 | 0 | 0 | 0 | 113.2 | T163 I164 Y195 K230 L296 | T163-V232 WeakPolarHBondContact O-CG2 3.34Å; T163-V232 PolarHBondContact O-N 2.65Å; I164-V232 HydrophobicContact CG1-CG2 4.24Å; Y195-V232 HydrophobicContact CD1-CG2 4.14Å; Y195-V232 HydrophobicContact CE1-CG2 4.13Å; K230-V232 PolarHBondContact O-N 3.12Å; V232-L296 HydrophobicContact CB-CD2 3.97Å; V232-L296 HydrophobicContact CG2-CD2 3.65Å |
| 233 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 142.1 | -176 | 177 | 65 | 0 | 0 | 0 | 112 | I164 I165 I235 P252 V254 I292 I295 L296 | I164-L233 WeakPolarHBondContact CA-O 3.37Å; I164-L233 HydrophobicContact CD1-CD2 4.39Å; I164-L233 HydrophobicContact CG1-CB 4.21Å; I164-L233 HydrophobicContact CG2-CB 4.21Å; I164-L233 HydrophobicContact CG2-CD2 3.97Å; I164-L233 HydrophobicContact CG2-CG 4.17Å; I165-L233 PolarHBondContact N-O 3.11Å; L233-I235 HydrophobicContact CD2-CD1 4.29Å; L233-I235 HydrophobicContact CD2-CG1 4.09Å; L233-I235 HydrophobicContact CG-CG1 4.19Å; L233-P252 WeakPolarHBondContact CD1-O 3.35Å; L233-V254 HydrophobicContact CD1-CG2 3.96Å; L233-V254 HydrophobicContact CD2-CG2 4.17Å; L233-I292 HydrophobicContact CD2-CB 4.14Å; L233-I292 HydrophobicContact CD2-CG1 3.9Å; L233-I292 HydrophobicContact CD2-CG2 3.78Å; L233-I295 HydrophobicContact CD1-CB 4.25Å; L233-I295 HydrophobicContact CD1-CD1 3.82Å; L233-I295 HydrophobicContact CD1-CG2 3.75Å; L233-L296 HydrophobicContact CB-CD2 4.23Å |
| 234 | F | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 119.1 | 171.8 | -175.7 | -147.7 | 0 | 0 | 0 | 111 | I165 L222 L226 N236 A246 V251 P252 V253 V254 | I165-F234 HydrophobicContact CB-CD2 4Å; I165-F234 HydrophobicContact CG2-CD2 3.95Å; I165-F234 HydrophobicContact CG2-CE2 3.99Å; I165-F234 CarbonylContact O-C 3.47Å; L222-F234 HydrophobicContact CD1-CE2 3.73Å; L222-F234 HydrophobicContact CD1-CZ 3.89Å; L222-F234 HydrophobicContact CD2-CZ 3.97Å; L222-F234 HydrophobicContact CG-CZ 4.49Å; L226-F234 HydrophobicContact CD1-CE1 4.34Å; L226-F234 HydrophobicContact CD2-CB 3.98Å; L226-F234 HydrophobicContact CD2-CD1 4.03Å; L226-F234 HydrophobicContact CD2-CD2 4.15Å; L226-F234 HydrophobicContact CD2-CE1 4.5Å; L226-F234 HydrophobicContact CD2-CG 3.82Å; F234-N236 HydrophobicContact CD1-CB 3.77Å; F234-N236 HydrophobicContact CD2-CB 4.13Å; F234-N236 HydrophobicContact CE1-CB 3.48Å; F234-N236 VanDerWaalsContact CE1-CB 3.48Å; F234-N236 VanDerWaalsContact CE1-CG 3.43Å; F234-N236 HydrophobicContact CE2-CB 3.84Å; F234-N236 HydrophobicContact CG-CB 4.1Å; F234-N236 HydrophobicContact CZ-CB 3.52Å; F234-N236 VanDerWaalsContact CZ-CG 3.4Å; F234-N236 VanDerWaalsContact CZ-ND2 3.29Å; F234-N236 WeakPolarHBondContact CZ-ND2 3.1Å; F234-A246 HydrophobicContact CD1-CB 3.86Å; F234-A246 HydrophobicContact CE1-CB 4.4Å; F234-V251 HydrophobicContact CB-CG1 3.77Å; F234-P252 PolarHBondContact N-O 3.36Å; F234-V253 HydrophobicContact CB-CG2 4.39Å; F234-V253 HydrophobicContact CD1-CG2 4.29Å; F234-V253 CarbonylContact O-C 3.48Å; F234-V253 WeakPolarHBondContact O-CA 3.5Å; F234-V253 WeakPolarHBondContact O-CG1 3.46Å; F234-V254 PolarHBondContact O-N 2.92Å |
| 235 | I | 98.7 | Very high | 96.7 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 112.4 | 175.7 | -52.1 | -173.7 | 0 | 0 | 0 | 107.2 | I164 I165 V166 S167 F168 F189 L233 V254 I256 F288 I292 | I164-I235 HydrophobicContact CG2-CD1 3.81Å; I164-I235 HydrophobicContact CG2-CG1 3.99Å; I165-I235 PolarHBondContact O-N 2.77Å; V166-I235 WeakPolarHBondContact CA-O 3.43Å; V166-I235 HydrophobicContact CB-CB 4.45Å; V166-I235 HydrophobicContact CG1-CB 4.22Å; V166-I235 HydrophobicContact CG1-CG2 4.26Å; V166-I235 HydrophobicContact CG2-CB 4.2Å; V166-I235 HydrophobicContact CG2-CD1 4.22Å; V166-I235 HydrophobicContact CG2-CG1 4.48Å; S167-I235 PolarHBondContact N-O 3.1Å; F168-I235 HydrophobicContact CE2-CG2 4.2Å; F168-I235 HydrophobicContact CZ-CG2 4.4Å; F189-I235 HydrophobicContact CE1-CD1 4.12Å; F189-I235 HydrophobicContact CZ-CD1 4.07Å; L233-I235 HydrophobicContact CD2-CD1 4.29Å; L233-I235 HydrophobicContact CD2-CG1 4.09Å; L233-I235 HydrophobicContact CG-CG1 4.19Å; I235-V254 HydrophobicContact CB-CB 4.45Å; I235-V254 HydrophobicContact CG1-CB 4.13Å; I235-V254 HydrophobicContact CG1-CG2 4.46Å; I235-V254 HydrophobicContact CG2-CB 4.23Å; I235-V254 HydrophobicContact CG2-CG1 4.3Å; I235-I256 HydrophobicContact CG2-CD1 3.75Å; I235-F288 HydrophobicContact CD1-CE2 3.94Å; I235-F288 HydrophobicContact CD1-CZ 3.62Å; I235-F288 HydrophobicContact CG2-CE2 4.02Å; I235-F288 HydrophobicContact CG2-CZ 4.43Å; I235-I292 HydrophobicContact CD1-CD1 3.72Å; I235-I292 HydrophobicContact CD1-CG1 3.95Å |
| 236 | N | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 154.7 | -166.1 | -176.9 | -111.2 | 0 | 0 | 0 | 112.7 | S167 F234 V238 S242 V253 V254 A255 I256 | S167-N236 WeakPolarHBondContact O-CA 2.95Å; S167-N236 PolarHBondContact O-ND2 2.87Å; F234-N236 HydrophobicContact CD1-CB 3.77Å; F234-N236 HydrophobicContact CD2-CB 4.13Å; F234-N236 HydrophobicContact CE1-CB 3.48Å; F234-N236 VanDerWaalsContact CE1-CB 3.48Å; F234-N236 VanDerWaalsContact CE1-CG 3.43Å; F234-N236 HydrophobicContact CE2-CB 3.84Å; F234-N236 HydrophobicContact CG-CB 4.1Å; F234-N236 HydrophobicContact CZ-CB 3.52Å; F234-N236 VanDerWaalsContact CZ-CG 3.4Å; F234-N236 VanDerWaalsContact CZ-ND2 3.29Å; F234-N236 WeakPolarHBondContact CZ-ND2 3.1Å; N236-V238 PolarHBondContact O-N 3.47Å; N236-V238 WeakPolarHBondContact OD1-CA 3.48Å; N236-V238 PolarHBondContact OD1-N 3.38Å; N236-S242 WeakPolarHBondContact OD1-CB 3.45Å; N236-V253 HydrophobicContact CB-CG1 4.37Å; N236-V254 PolarHBondContact N-O 2.83Å; N236-A255 WeakPolarHBondContact O-CA 2.96Å; N236-I256 PolarHBondContact O-N 2.83Å |
| 237 | H | 96.6 | Very high | 96.6 | Very high | 20 Ų | 20 | 27.8 Ų | 27.8 | 9% | 0.093 | 14% | 0.143 | C | C | . | . | trans | -74.1 | -7 | 173.9 | 70.2 | -63.9 | 0 | 0 | 0 | 115 | F168 G239 I256 M258 Q262 | F168-H237 VanDerWaalsContact C-ND1 3.32Å; F168-H237 WeakPolarHBondContact CA-ND1 3.27Å; F168-H237 HydrophobicContact CD1-CB 3.74Å; F168-H237 HydrophobicContact CE1-CB 4.23Å; F168-H237 HydrophobicContact CG-CB 4.38Å; F168-H237 PolarHBondContact O-ND1 3.01Å; H237-G239 PolarHBondContact O-N 2.95Å; H237-I256 VanDerWaalsContact CA-O 3.27Å; H237-I256 WeakPolarHBondContact CA-O 3.39Å; H237-M258 HydrophobicContact CB-CG 3.98Å; H237-Q262 VanDerWaalsContact O-CB 3.25Å; H237-Q262 WeakPolarHBondContact O-CB 3.34Å; H237-Q262 VanDerWaalsContact O-CG 3.3Å; H237-Q262 WeakPolarHBondContact O-CG 3.47Å | ||
| 238 | V | 96.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | 58.7 | 38.3 | 176 | -58.1 | 0 | 0 | 0 | 0 | 115.1 | N236 V253 A255 Q262 N265 A266 I269 | N236-V238 PolarHBondContact O-N 3.47Å; N236-V238 WeakPolarHBondContact OD1-CA 3.48Å; N236-V238 PolarHBondContact OD1-N 3.38Å; V238-V253 HydrophobicContact CG1-CG1 3.64Å; V238-A255 HydrophobicContact CB-CB 4.49Å; V238-A255 HydrophobicContact CG1-CB 3.63Å; V238-A255 HydrophobicContact CG2-CB 4.03Å; V238-Q262 HydrophobicContact CG2-CB 4.37Å; V238-Q262 VanDerWaalsContact CG2-O 3.3Å; V238-Q262 WeakPolarHBondContact CG2-O 3.31Å; V238-N265 HydrophobicContact CB-CB 4.34Å; V238-N265 HydrophobicContact CG2-CB 4.12Å; V238-N265 WeakPolarHBondContact O-CB 3.27Å; V238-N265 PolarHBondContact O-ND2 3.22Å; V238-A266 HydrophobicContact CG2-CB 4.11Å; V238-I269 HydrophobicContact CB-CD1 3.9Å; V238-I269 HydrophobicContact CG1-CD1 3.38Å; V238-I269 HydrophobicContact CG2-CD1 4.32Å | ||
| 239 | G | 94 | Very high | 96.6 | Very high | 10 Ų | 10 | 22.3 Ų | 22.3 | 10% | 0.103 | 12% | 0.119 | C | C | . | . | trans | -57.5 | 145.8 | 158 | 0 | 0 | 0 | 0 | 0 | 110.1 | H237 K241 S242 L243 | H237-G239 PolarHBondContact O-N 2.95Å; G239-K241 VanDerWaalsContact C-N 3.28Å; G239-K241 PolarHBondContact O-N 3.1Å; G239-K241 VanDerWaalsContact O-N 3.1Å; G239-S242 PolarHBondContact O-N 3.33Å; G239-L243 PolarHBondContact O-N 3.06Å | ||
| 240 | I | 92.1 | Very high | 96.7 | Very high | 16 Ų | 16 | 17 Ų | 17 | 8% | 0.082 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -50.3 | -42.5 | -168.7 | -166.5 | 169.6 | 0 | 0 | 0 | 114.5 | T35 T36 S119 M120 Y139 L243 H244 | T35-I240 WeakPolarHBondContact O-CG2 3.17Å; T36-I240 VanDerWaalsContact C-CD1 3.47Å; S119-I240 WeakPolarHBondContact O-CD1 3.49Å; M120-I240 HydrophobicContact CB-CD1 3.97Å; M120-I240 HydrophobicContact CE-CD1 3.99Å; M120-I240 HydrophobicContact CE-CG1 3.95Å; Y139-I240 HydrophobicContact CE2-CG2 4.27Å; I240-L243 PolarHBondContact O-N 3.14Å; I240-H244 WeakPolarHBondContact O-CB 3.41Å; I240-H244 PolarHBondContact O-N 3.05Å |
| 241 | K | 92.8 | Very high | 96.7 | Very high | 124 Ų | 124 | 14.1 Ų | 14.1 | 54% | 0.539 | 7% | 0.073 | S | C | . | . | H | α-helix | trans | -65.8 | -47.2 | -179.8 | -175.6 | 177.6 | 177.5 | 178.8 | 0 | 111.8 | G239 L243 H244 E245 | G239-K241 VanDerWaalsContact C-N 3.28Å; G239-K241 PolarHBondContact O-N 3.1Å; G239-K241 VanDerWaalsContact O-N 3.1Å; K241-L243 VanDerWaalsContact C-N 3.31Å; K241-L243 PolarHBondContact O-N 3.19Å; K241-H244 WeakPolarHBondContact O-CB 3.4Å; K241-H244 PolarHBondContact O-N 3.43Å; K241-E245 WeakPolarHBondContact CE-OE1 3.25Å; K241-E245 WeakPolarHBondContact O-CG 3.23Å; K241-E245 PolarHBondContact O-N 2.73Å |
| 242 | S | 94.9 | Very high | 96.8 | Very high | 14 Ų | 14 | 14.1 Ų | 14.1 | 10% | 0.098 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66.1 | -34.8 | 177.7 | -64.4 | 0 | 0 | 0 | 0 | 112 | N236 G239 E245 A246 | N236-S242 WeakPolarHBondContact OD1-CB 3.45Å; G239-S242 PolarHBondContact O-N 3.33Å; S242-E245 PolarHBondContact O-N 2.94Å; S242-A246 WeakPolarHBondContact O-CB 3.16Å; S242-A246 PolarHBondContact O-N 3.36Å |
| 243 | L | 95.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.8 | -45.6 | 171.6 | 173.9 | 56 | 0 | 0 | 0 | 111.2 | M120 L124 G239 I240 K241 E245 A246 V247 N265 L268 I269 | M120-L243 HydrophobicContact CE-CD2 4.44Å; L124-L243 HydrophobicContact CD2-CD2 4.39Å; L124-L243 HydrophobicContact CD2-CG 4.2Å; G239-L243 PolarHBondContact O-N 3.06Å; I240-L243 PolarHBondContact O-N 3.14Å; K241-L243 VanDerWaalsContact C-N 3.31Å; K241-L243 PolarHBondContact O-N 3.19Å; L243-E245 VanDerWaalsContact C-N 3.34Å; L243-E245 PolarHBondContact O-N 2.94Å; L243-A246 WeakPolarHBondContact O-CB 3.21Å; L243-A246 PolarHBondContact O-N 3.41Å; L243-V247 HydrophobicContact CD1-CG2 4.1Å; L243-V247 WeakPolarHBondContact O-CG2 3.3Å; L243-V247 PolarHBondContact O-N 2.96Å; L243-N265 HydrophobicContact CD2-CB 3.94Å; L243-L268 HydrophobicContact CD2-CD2 4.44Å; L243-I269 HydrophobicContact CD1-CD1 3.73Å; L243-I269 HydrophobicContact CD1-CG1 3.81Å; L243-I269 HydrophobicContact CD2-CD1 4.48Å |
| 244 | H | 95 | Very high | 96.8 | Very high | 8 Ų | 8 | 12.3 Ų | 12.3 | 4% | 0.037 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59 | -44.5 | 175.1 | 176.2 | -90.7 | 0 | 0 | 0 | 111.6 | D138 Y139 I240 K241 A246 V247 C248 | D138-H244 IonicContact OD1-CD2 3.63Å; D138-H244 PolarHBondContact OD1-CD2 3.36Å; D138-H244 VanDerWaalsContact OD1-CD2 3.22Å; D138-H244 IonicContact OD1-NE2 3.88Å; D138-H244 IonicContact OD2-CD2 2.71Å; D138-H244 PolarHBondContact OD2-CD2 2.79Å; D138-H244 IonicContact OD2-NE2 2.76Å; Y139-H244 PolarHBondContact O-CE1 2.91Å; Y139-H244 PolarHBondContact O-NE2 2.74Å; I240-H244 WeakPolarHBondContact O-CB 3.41Å; I240-H244 PolarHBondContact O-N 3.05Å; K241-H244 WeakPolarHBondContact O-CB 3.4Å; K241-H244 PolarHBondContact O-N 3.43Å; H244-A246 PolarHBondContact O-N 2.68Å; H244-V247 PolarHBondContact O-N 2.84Å; H244-C248 WeakPolarHBondContact O-CB 3.3Å; H244-C248 PolarHBondContact O-N 2.72Å |
| 245 | E | 96.5 | Very high | 96.7 | Very high | 13 Ų | 13 | 12.3 Ų | 12.3 | 6% | 0.061 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -60.6 | -43 | 175.3 | -69.9 | 171.8 | -179.1 | 0 | 0 | 112.2 | P142 L222 L226 K241 S242 L243 C248 F249 | P142-E245 HydrophobicContact CG-CG 4.04Å; L222-E245 VanDerWaalsContact CD2-OE2 3.3Å; L222-E245 WeakPolarHBondContact CD2-OE2 3.42Å; L226-E245 HydrophobicContact CD1-CB 3.77Å; K241-E245 WeakPolarHBondContact CE-OE1 3.25Å; K241-E245 WeakPolarHBondContact O-CG 3.23Å; K241-E245 PolarHBondContact O-N 2.73Å; S242-E245 PolarHBondContact O-N 2.94Å; L243-E245 VanDerWaalsContact C-N 3.34Å; L243-E245 PolarHBondContact O-N 2.94Å; E245-C248 PolarHBondContact O-N 2.68Å; E245-F249 WeakPolarHBondContact O-CD2 3.34Å; E245-F249 PolarHBondContact O-N 3.43Å |
| 246 | A | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.9 | -44.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F234 S242 L243 H244 A250 V251 V253 M305 | F234-A246 HydrophobicContact CD1-CB 3.86Å; F234-A246 HydrophobicContact CE1-CB 4.4Å; S242-A246 WeakPolarHBondContact O-CB 3.16Å; S242-A246 PolarHBondContact O-N 3.36Å; L243-A246 WeakPolarHBondContact O-CB 3.21Å; L243-A246 PolarHBondContact O-N 3.41Å; H244-A246 PolarHBondContact O-N 2.68Å; A246-A250 CarbonylContact O-C 3.56Å; A246-A250 WeakPolarHBondContact O-CA 3.25Å; A246-A250 PolarHBondContact O-N 3.42Å; A246-V251 PolarHBondContact O-N 3.28Å; A246-V253 HydrophobicContact CB-CG2 3.66Å; A246-M305 HydrophobicContact CB-CE 4.35Å |
| 247 | V | 97.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.006 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.9 | -45.5 | 175.6 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | L124 L243 H244 F249 A250 M305 M308 S309 T312 | L124-V247 HydrophobicContact CD1-CG2 3.91Å; L124-V247 HydrophobicContact CD2-CG2 4Å; L243-V247 HydrophobicContact CD1-CG2 4.1Å; L243-V247 WeakPolarHBondContact O-CG2 3.3Å; L243-V247 PolarHBondContact O-N 2.96Å; H244-V247 PolarHBondContact O-N 2.84Å; V247-F249 VanDerWaalsContact C-N 3.29Å; V247-F249 PolarHBondContact O-N 3.01Å; V247-A250 PolarHBondContact O-N 3.26Å; V247-M305 HydrophobicContact CG2-CE 4.33Å; V247-M305 HydrophobicContact CG2-SD 4.08Å; V247-M308 HydrophobicContact CG1-CB 4.38Å; V247-M308 HydrophobicContact CG1-CG 3.65Å; V247-M308 HydrophobicContact CG2-CG 4.27Å; V247-S309 WeakPolarHBondContact O-CA 3.4Å; V247-S309 WeakPolarHBondContact O-CB 3.48Å; V247-S309 PolarHBondContact O-OG 2.93Å; V247-T312 HydrophobicContact CG1-CG2 3.99Å; V247-T312 WeakPolarHBondContact CG1-OG1 3.15Å |
| 248 | C | 96.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.014 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -56.1 | -43.5 | 177.8 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | C141 H244 E245 S309 K313 | C141-C248 VanDerWaalsContact CA-SG 3.5Å; C141-C248 HydrophobicContact CB-CB 4.25Å; C141-C248 WeakPolarHBondContact CB-SG 3.28Å; C141-C248 WeakPolarHBondContact SG-CB 3.41Å; C141-C248 CovalentContact SG-SG 2.02Å; C141-C248 PolarHBondContact SG-SG 2.9Å; H244-C248 WeakPolarHBondContact O-CB 3.3Å; H244-C248 PolarHBondContact O-N 2.72Å; E245-C248 PolarHBondContact O-N 2.68Å; C248-S309 PolarHBondContact O-OG 3.49Å; C248-K313 WeakPolarHBondContact O-CE 3.16Å; C248-K313 PolarHBondContact O-NZ 2.87Å |
| 249 | F | 97.7 | Very high | 96 | Very high | 33 Ų | 33 | 19 Ų | 19 | 15% | 0.145 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 9.1 | 178.3 | -58.2 | -57.8 | 0 | 0 | 0 | 114.1 | P142 P223 L226 K227 E245 V247 V251 | P142-F249 HydrophobicContact CG-CE2 3.79Å; P142-F249 HydrophobicContact CG-CZ 3.86Å; P223-F249 HydrophobicContact CB-CE2 4.21Å; L226-F249 HydrophobicContact CB-CB 4.09Å; L226-F249 HydrophobicContact CB-CD2 3.47Å; L226-F249 VanDerWaalsContact CB-CD2 3.47Å; L226-F249 HydrophobicContact CB-CE2 4.24Å; L226-F249 HydrophobicContact CB-CG 4.08Å; L226-F249 HydrophobicContact CD1-CD2 4.34Å; L226-F249 WeakPolarHBondContact O-CB 3.38Å; K227-F249 HydrophobicContact CB-CD1 3.67Å; K227-F249 HydrophobicContact CB-CE1 3.64Å; K227-F249 HydrophobicContact CB-CG 4.19Å; K227-F249 HydrophobicContact CB-CZ 4.12Å; K227-F249 HydrophobicContact CD-CE1 4.07Å; K227-F249 HydrophobicContact CG-CD1 3.91Å; K227-F249 HydrophobicContact CG-CE1 3.83Å; E245-F249 WeakPolarHBondContact O-CD2 3.34Å; E245-F249 PolarHBondContact O-N 3.43Å; V247-F249 VanDerWaalsContact C-N 3.29Å; V247-F249 PolarHBondContact O-N 3.01Å; F249-V251 VanDerWaalsContact C-N 3.31Å; F249-V251 HydrophobicContact CB-CG2 4.19Å; F249-V251 PolarHBondContact O-N 2.83Å |
| 250 | A | 98.4 | Very high | 95.6 | Very high | 10 Ų | 10 | 20.3 Ų | 20.3 | 8% | 0.083 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 42.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A246 V247 K302 M305 K306 | A246-A250 CarbonylContact O-C 3.56Å; A246-A250 WeakPolarHBondContact O-CA 3.25Å; A246-A250 PolarHBondContact O-N 3.42Å; V247-A250 PolarHBondContact O-N 3.26Å; A250-K302 WeakPolarHBondContact O-CD 3.37Å; A250-K302 VanDerWaalsContact O-CE 3.3Å; A250-K302 WeakPolarHBondContact O-CE 3.29Å; A250-K302 PolarHBondContact O-NZ 2.75Å; A250-M305 HydrophobicContact CB-CB 4.36Å; A250-K306 HydrophobicContact CB-CG 3.96Å |
| 251 | V | 98.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | trans | -102.9 | 116.4 | 180 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | L226 T231 F234 A246 F249 M305 | L226-V251 HydrophobicContact CD2-CB 4.16Å; L226-V251 HydrophobicContact CD2-CG1 4.24Å; L226-V251 HydrophobicContact CD2-CG2 4.07Å; L226-V251 WeakPolarHBondContact O-CG2 3.49Å; T231-V251 HydrophobicContact CG2-CG1 3.82Å; T231-V251 HydrophobicContact CG2-CG2 3.92Å; F234-V251 HydrophobicContact CB-CG1 3.77Å; A246-V251 PolarHBondContact O-N 3.28Å; F249-V251 VanDerWaalsContact C-N 3.31Å; F249-V251 HydrophobicContact CB-CG2 4.19Å; F249-V251 PolarHBondContact O-N 2.83Å; V251-M305 WeakPolarHBondContact O-CE 3.34Å | ||
| 252 | P | 98.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.013 | 8% | 0.084 | C | C | . | . | trans | -55 | 152.4 | 174.7 | -30 | 38.8 | 0 | 0 | 0 | 113.7 | L233 F234 L274 I295 K302 M305 | L233-P252 WeakPolarHBondContact CD1-O 3.35Å; F234-P252 PolarHBondContact N-O 3.36Å; P252-L274 WeakPolarHBondContact CA-O 3.47Å; P252-I295 HydrophobicContact CB-CG2 3.48Å; P252-I295 VanDerWaalsContact CB-CG2 3.48Å; P252-I295 HydrophobicContact CG-CG2 4.27Å; P252-K302 HydrophobicContact CG-CB 4.07Å; P252-K302 HydrophobicContact CG-CD 4.04Å; P252-M305 HydrophobicContact CG-CG 4.2Å | ||
| 253 | V | 98.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.006 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133 | -171.1 | -175.9 | 0 | 0 | 0 | 0 | 113.9 | F234 N236 V238 A246 A255 I269 L274 G275 I276 I295 M305 | F234-V253 HydrophobicContact CB-CG2 4.39Å; F234-V253 HydrophobicContact CD1-CG2 4.29Å; F234-V253 CarbonylContact O-C 3.48Å; F234-V253 WeakPolarHBondContact O-CA 3.5Å; F234-V253 WeakPolarHBondContact O-CG1 3.46Å; N236-V253 HydrophobicContact CB-CG1 4.37Å; V238-V253 HydrophobicContact CG1-CG1 3.64Å; A246-V253 HydrophobicContact CB-CG2 3.66Å; V253-A255 HydrophobicContact CG1-CB 4.27Å; V253-I269 HydrophobicContact CG1-CD1 4.49Å; V253-L274 PolarHBondContact N-O 3.33Å; V253-G275 CarbonylContact O-C 3.59Å; V253-G275 WeakPolarHBondContact O-CA 3.3Å; V253-I276 PolarHBondContact O-N 3.34Å; V253-I295 VanDerWaalsContact O-CD1 3.29Å; V253-I295 WeakPolarHBondContact O-CD1 3.38Å; V253-M305 HydrophobicContact CG2-CE 3.73Å |
| 254 | V | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 107.7 | 153.9 | 174.4 | 0 | 0 | 0 | 0 | 106.9 | L233 F234 I235 N236 I256 I276 L278 A291 I292 I295 | L233-V254 HydrophobicContact CD1-CG2 3.96Å; L233-V254 HydrophobicContact CD2-CG2 4.17Å; F234-V254 PolarHBondContact O-N 2.92Å; I235-V254 HydrophobicContact CB-CB 4.45Å; I235-V254 HydrophobicContact CG1-CB 4.13Å; I235-V254 HydrophobicContact CG1-CG2 4.46Å; I235-V254 HydrophobicContact CG2-CB 4.23Å; I235-V254 HydrophobicContact CG2-CG1 4.3Å; N236-V254 PolarHBondContact N-O 2.83Å; V254-I256 HydrophobicContact CG1-CD1 4.05Å; V254-I256 HydrophobicContact CG1-CG1 4.12Å; V254-I276 CarbonylContact C-O 3.32Å; V254-I276 WeakPolarHBondContact CA-O 3.39Å; V254-L278 HydrophobicContact CG1-CD1 3.75Å; V254-L278 HydrophobicContact CG1-CG 4.19Å; V254-A291 HydrophobicContact CG1-CB 4.37Å; V254-A291 HydrophobicContact CG2-CB 4.23Å; V254-I292 HydrophobicContact CG2-CG1 4.25Å; V254-I295 HydrophobicContact CG2-CD1 3.6Å |
| 255 | A | 98 | Very high | 95 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 112.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | N236 V238 V253 P257 A266 I269 I276 F277 L278 | N236-A255 WeakPolarHBondContact O-CA 2.96Å; V238-A255 HydrophobicContact CB-CB 4.49Å; V238-A255 HydrophobicContact CG1-CB 3.63Å; V238-A255 HydrophobicContact CG2-CB 4.03Å; V253-A255 HydrophobicContact CG1-CB 4.27Å; A255-P257 WeakPolarHBondContact O-CD 3.37Å; A255-A266 HydrophobicContact CB-CB 4.03Å; A255-I269 HydrophobicContact CB-CD1 4.05Å; A255-I276 PolarHBondContact N-O 2.88Å; A255-F277 CarbonylContact O-C 3.42Å; A255-F277 WeakPolarHBondContact O-CA 3.49Å; A255-L278 PolarHBondContact O-N 3.42Å |
| 256 | I | 97 | Very high | 95 | Very high | 4 Ų | 4 | 15.4 Ų | 15.4 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | trans | -119.1 | 78.3 | 178.1 | -60.3 | 159 | 0 | 0 | 0 | 108.4 | F168 I235 N236 H237 V254 L278 K280 M283 F288 | F168-I256 HydrophobicContact CE1-CB 3.79Å; F168-I256 HydrophobicContact CE1-CG2 3.91Å; F168-I256 HydrophobicContact CZ-CB 3.83Å; F168-I256 HydrophobicContact CZ-CD1 3.82Å; F168-I256 HydrophobicContact CZ-CG1 4.39Å; F168-I256 HydrophobicContact CZ-CG2 4.21Å; I235-I256 HydrophobicContact CG2-CD1 3.75Å; N236-I256 PolarHBondContact O-N 2.83Å; H237-I256 VanDerWaalsContact CA-O 3.27Å; H237-I256 WeakPolarHBondContact CA-O 3.39Å; V254-I256 HydrophobicContact CG1-CD1 4.05Å; V254-I256 HydrophobicContact CG1-CG1 4.12Å; I256-L278 HydrophobicContact CG1-CB 3.92Å; I256-L278 HydrophobicContact CG1-CD1 4.48Å; I256-K280 HydrophobicContact CG2-CB 4Å; I256-M283 HydrophobicContact CD1-SD 3.77Å; I256-M283 HydrophobicContact CG1-SD 4.34Å; I256-F288 HydrophobicContact CD1-CD2 4.43Å; I256-F288 HydrophobicContact CD1-CE2 4.12Å | ||
| 257 | P | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -65.2 | 142.9 | -176.8 | 29.4 | -36.7 | 0 | 0 | 0 | 111.6 | A255 Q262 Y263 A266 F277 | A255-P257 WeakPolarHBondContact O-CD 3.37Å; P257-Q262 HydrophobicContact CB-CB 3.51Å; P257-Y263 HydrophobicContact CB-CD1 3.93Å; P257-Y263 HydrophobicContact CB-CD2 4.18Å; P257-Y263 HydrophobicContact CB-CE1 4.13Å; P257-Y263 HydrophobicContact CB-CE2 4.35Å; P257-Y263 HydrophobicContact CB-CG 3.96Å; P257-Y263 HydrophobicContact CG-CD1 3.48Å; P257-Y263 VanDerWaalsContact CG-CD1 3.48Å; P257-Y263 HydrophobicContact CG-CE1 3.62Å; P257-Y263 HydrophobicContact CG-CG 4.02Å; P257-A266 HydrophobicContact CG-CB 4.1Å; P257-F277 HydrophobicContact CG-CD2 3.81Å; P257-F277 HydrophobicContact CG-CE2 3.44Å; P257-F277 VanDerWaalsContact CG-CE2 3.44Å | ||
| 258 | M | 93.4 | Very high | 94.4 | Very high | 55 Ų | 55 | 15.8 Ų | 15.8 | 27% | 0.271 | 9% | 0.085 | S | C | . | . | trans | -105.9 | -40.8 | -177.8 | -57 | -59.8 | -67.3 | 0 | 0 | 112 | F168 V172 H237 K280 | F168-M258 HydrophobicContact CD1-CG 4.2Å; F168-M258 HydrophobicContact CD1-SD 4.23Å; F168-M258 HydrophobicContact CE1-SD 4.2Å; V172-M258 HydrophobicContact CG1-CE 4.32Å; V172-M258 HydrophobicContact CG2-CB 4.35Å; V172-M258 HydrophobicContact CG2-CE 4.46Å; V172-M258 HydrophobicContact CG2-CG 3.75Å; H237-M258 HydrophobicContact CB-CG 3.98Å; M258-K280 HydrophobicContact CE-CD 3.96Å; M258-K280 HydrophobicContact SD-CB 4.44Å; M258-K280 HydrophobicContact SD-CD 3.86Å | ||
| 259 | F | 89 | Confident | 94.3 | Very high | 105 Ų | 105 | 15.7 Ų | 15.7 | 46% | 0.461 | 9% | 0.085 | S | C | . | . | S | Bend | trans | -169.3 | 169.2 | -178.9 | 52.7 | -94.5 | 0 | 0 | 0 | 112.2 | Q262 | F259-Q262 VanDerWaalsContact N-OE1 3.12Å; F259-Q262 VanDerWaalsContact O-CB 3.23Å; F259-Q262 WeakPolarHBondContact O-CB 3.49Å; F259-Q262 WeakPolarHBondContact O-CG 3.35Å; F259-Q262 PolarHBondContact O-N 3.04Å; F259-Q262 PolarHBondContact O-NE2 3.29Å; F259-Q262 PolarHBondContact O-OE1 3.11Å |
| 260 | G | 86.6 | Confident | 94.1 | Very high | 37 Ų | 37 | 20.5 Ų | 20.5 | 38% | 0.381 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | -138.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q262 | G260-Q262 PolarHBondContact O-N 3.28Š|
| 261 | D | 88.4 | Confident | 93.7 | Very high | 25 Ų | 25 | 26.3 Ų | 26.3 | 13% | 0.134 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -16.7 | -179.6 | 65.1 | -41.5 | 0 | 0 | 0 | 114.4 | T36 L37 M58 Y263 R264 N265 | T36-D261 PolarHBondContact OG1-OD2 3.36Å; L37-D261 HydrophobicContact CD2-CB 3.79Å; M58-D261 HydrophobicContact CE-CB 3.56Å; D261-Y263 VanDerWaalsContact C-N 3.28Å; D261-Y263 PolarHBondContact O-N 2.72Å; D261-R264 PolarHBondContact O-N 2.77Å; D261-N265 WeakPolarHBondContact O-CB 3.44Å; D261-N265 PolarHBondContact O-N 3.31Å; D261-N265 PolarHBondContact O-ND2 3.49Å; D261-N265 PolarHBondContact O-OD1 3.23Å; D261-N265 PolarHBondContact OD2-ND2 2.6Å; D261-N265 VanDerWaalsContact OD2-ND2 3.13Å |
| 262 | Q | 93 | Very high | 93.5 | Very high | 6 Ų | 6 | 29.1 Ų | 29.1 | 3% | 0.028 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.1 | -35.9 | -175.4 | -62.1 | 163.6 | 28.5 | 0 | 0 | 112.6 | H237 V238 P257 F259 G260 N265 A266 | H237-Q262 VanDerWaalsContact O-CB 3.25Å; H237-Q262 WeakPolarHBondContact O-CB 3.34Å; H237-Q262 VanDerWaalsContact O-CG 3.3Å; H237-Q262 WeakPolarHBondContact O-CG 3.47Å; V238-Q262 HydrophobicContact CG2-CB 4.37Å; V238-Q262 VanDerWaalsContact CG2-O 3.3Å; V238-Q262 WeakPolarHBondContact CG2-O 3.31Å; P257-Q262 HydrophobicContact CB-CB 3.51Å; F259-Q262 VanDerWaalsContact N-OE1 3.12Å; F259-Q262 VanDerWaalsContact O-CB 3.23Å; F259-Q262 WeakPolarHBondContact O-CB 3.49Å; F259-Q262 WeakPolarHBondContact O-CG 3.35Å; F259-Q262 PolarHBondContact O-N 3.04Å; F259-Q262 PolarHBondContact O-NE2 3.29Å; F259-Q262 PolarHBondContact O-OE1 3.11Å; G260-Q262 PolarHBondContact O-N 3.28Å; Q262-N265 PolarHBondContact O-N 2.91Å; Q262-A266 WeakPolarHBondContact O-CB 3.23Å; Q262-A266 PolarHBondContact O-N 3.22Å |
| 263 | Y | 92.1 | Very high | 93.4 | Very high | 40 Ų | 40 | 34.8 Ų | 34.8 | 16% | 0.157 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.2 | -43.7 | 177.9 | -73.6 | -81.8 | 0 | 0 | 0 | 111.8 | M58 I61 P257 D261 N265 A266 A267 F277 | M58-Y263 WeakPolarHBondContact O-CB 3.14Å; I61-Y263 HydrophobicContact CD1-CD1 3.83Å; I61-Y263 HydrophobicContact CD1-CE1 4.24Å; I61-Y263 HydrophobicContact CG1-CD1 3.87Å; P257-Y263 HydrophobicContact CB-CD1 3.93Å; P257-Y263 HydrophobicContact CB-CD2 4.18Å; P257-Y263 HydrophobicContact CB-CE1 4.13Å; P257-Y263 HydrophobicContact CB-CE2 4.35Å; P257-Y263 HydrophobicContact CB-CG 3.96Å; P257-Y263 HydrophobicContact CG-CD1 3.48Å; P257-Y263 VanDerWaalsContact CG-CD1 3.48Å; P257-Y263 HydrophobicContact CG-CE1 3.62Å; P257-Y263 HydrophobicContact CG-CG 4.02Å; D261-Y263 VanDerWaalsContact C-N 3.28Å; D261-Y263 PolarHBondContact O-N 2.72Å; Y263-N265 VanDerWaalsContact C-N 3.34Å; Y263-A266 WeakPolarHBondContact O-CB 3.35Å; Y263-A266 PolarHBondContact O-N 3.13Å; Y263-A267 PolarHBondContact O-N 2.73Å; Y263-F277 HydrophobicContact CD1-CE2 4.5Å |
| 264 | R | 91.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.1 | -43.4 | 171 | -177.9 | -179 | 179.5 | -78.7 | 5.9 | 111.7 | E55 M58 D125 F126 D261 A266 A267 L268 | E55-R264 IonicContact OE2-CZ 2.61Å; E55-R264 IonicContact OE2-NE 3.85Å; E55-R264 PolarHBondContact OE2-NE 3.46Å; E55-R264 IonicContact OE2-NH2 3.44Å; E55-R264 PolarHBondContact OE2-NH2 3.02Å; M58-R264 PolarHBondContact O-N 3.42Å; M58-R264 HydrophobicContact SD-CB 4.4Å; D125-R264 IonicContact OD1-CZ 3.93Å; D125-R264 VanDerWaalsContact OD1-CZ 3.24Å; D125-R264 IonicContact OD1-NH1 3.5Å; D125-R264 PolarHBondContact OD1-NH1 3.11Å; D125-R264 IonicContact OD1-NH2 3.77Å; D125-R264 PolarHBondContact OD1-NH2 3.03Å; D125-R264 IonicContact OD2-NH2 3.29Å; F126-R264 HydrophobicContact CE2-CG 4.07Å; D261-R264 PolarHBondContact O-N 2.77Å; R264-A266 VanDerWaalsContact C-N 3.33Å; R264-A266 PolarHBondContact O-N 3.37Å; R264-A267 WeakPolarHBondContact O-CB 3.44Å; R264-A267 PolarHBondContact O-N 3.43Å; R264-L268 WeakPolarHBondContact O-CB 3.46Å; R264-L268 PolarHBondContact O-N 3.24Å |
| 265 | N | 93.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.4 | -38.1 | 176.2 | -66.1 | -15.6 | 0 | 0 | 0 | 111.7 | M120 V238 L243 D261 Q262 Y263 L268 I269 | M120-N265 VanDerWaalsContact CE-OD1 3.22Å; M120-N265 WeakPolarHBondContact CE-OD1 3.17Å; V238-N265 HydrophobicContact CB-CB 4.34Å; V238-N265 HydrophobicContact CG2-CB 4.12Å; V238-N265 WeakPolarHBondContact O-CB 3.27Å; V238-N265 PolarHBondContact O-ND2 3.22Å; L243-N265 HydrophobicContact CD2-CB 3.94Å; D261-N265 WeakPolarHBondContact O-CB 3.44Å; D261-N265 PolarHBondContact O-N 3.31Å; D261-N265 PolarHBondContact O-ND2 3.49Å; D261-N265 PolarHBondContact O-OD1 3.23Å; D261-N265 PolarHBondContact OD2-ND2 2.6Å; D261-N265 VanDerWaalsContact OD2-ND2 3.13Å; Q262-N265 PolarHBondContact O-N 2.91Å; Y263-N265 VanDerWaalsContact C-N 3.34Å; N265-L268 WeakPolarHBondContact O-CB 3.39Å; N265-L268 PolarHBondContact O-N 2.99Å; N265-I269 VanDerWaalsContact O-CG1 3.27Å; N265-I269 WeakPolarHBondContact O-CG1 3.09Å; N265-I269 PolarHBondContact O-N 3.03Å |
| 266 | A | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.7 | -38.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | V238 A255 P257 Q262 Y263 R264 L268 I269 R270 F277 | V238-A266 HydrophobicContact CG2-CB 4.11Å; A255-A266 HydrophobicContact CB-CB 4.03Å; P257-A266 HydrophobicContact CG-CB 4.1Å; Q262-A266 WeakPolarHBondContact O-CB 3.23Å; Q262-A266 PolarHBondContact O-N 3.22Å; Y263-A266 WeakPolarHBondContact O-CB 3.35Å; Y263-A266 PolarHBondContact O-N 3.13Å; R264-A266 VanDerWaalsContact C-N 3.33Å; R264-A266 PolarHBondContact O-N 3.37Å; A266-L268 VanDerWaalsContact C-N 3.31Å; A266-L268 PolarHBondContact O-N 3.4Å; A266-I269 PolarHBondContact O-N 3.22Å; A266-R270 WeakPolarHBondContact O-CB 3.02Å; A266-R270 PolarHBondContact O-N 2.73Å; A266-F277 HydrophobicContact CB-CB 4.35Å; A266-F277 HydrophobicContact CB-CD2 3.74Å; A266-F277 HydrophobicContact CB-CG 4.4Å |
| 267 | A | 91.7 | Very high | 93.2 | Very high | 7 Ų | 7 | 37.9 Ų | 37.9 | 6% | 0.058 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.3 | -44.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | M60 I61 Y263 R264 R270 Q271 | M60-A267 WeakPolarHBondContact O-CB 3.31Å; I61-A267 VanDerWaalsContact O-CB 3.23Å; I61-A267 WeakPolarHBondContact O-CB 3.16Å; Y263-A267 PolarHBondContact O-N 2.73Å; R264-A267 WeakPolarHBondContact O-CB 3.44Å; R264-A267 PolarHBondContact O-N 3.43Å; A267-R270 PolarHBondContact O-N 3.21Å; A267-Q271 WeakPolarHBondContact O-CB 3.2Å; A267-Q271 PolarHBondContact O-N 3.45Å |
| 268 | L | 92 | Very high | 93.2 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.7 | -47 | 176.9 | -174.9 | 74.1 | 0 | 0 | 0 | 112.3 | M120 L124 F126 L243 R264 N265 A266 R270 Q271 R272 | M120-L268 HydrophobicContact CE-CD2 4.42Å; M120-L268 HydrophobicContact SD-CD2 4.17Å; L124-L268 HydrophobicContact CD1-CD2 4.27Å; L124-L268 HydrophobicContact CG-CD2 4.2Å; L124-L268 WeakPolarHBondContact O-CD1 3.33Å; L124-L268 WeakPolarHBondContact O-CD2 3.48Å; L124-L268 WeakPolarHBondContact O-CG 3.29Å; F126-L268 HydrophobicContact CD2-CD1 3.84Å; F126-L268 HydrophobicContact CE1-CD1 4.41Å; F126-L268 HydrophobicContact CE2-CB 4.12Å; F126-L268 HydrophobicContact CE2-CD1 3.71Å; F126-L268 HydrophobicContact CG-CD1 4.25Å; F126-L268 HydrophobicContact CZ-CB 4.3Å; F126-L268 HydrophobicContact CZ-CD1 4Å; L243-L268 HydrophobicContact CD2-CD2 4.44Å; R264-L268 WeakPolarHBondContact O-CB 3.46Å; R264-L268 PolarHBondContact O-N 3.24Å; N265-L268 WeakPolarHBondContact O-CB 3.39Å; N265-L268 PolarHBondContact O-N 2.99Å; A266-L268 VanDerWaalsContact C-N 3.31Å; A266-L268 PolarHBondContact O-N 3.4Å; L268-R270 VanDerWaalsContact C-N 3.31Å; L268-R270 PolarHBondContact O-N 3.4Å; L268-Q271 PolarHBondContact O-N 3.39Å; L268-R272 PolarHBondContact O-N 3.3Å |
| 269 | I | 94.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.3 | -45.4 | 175.1 | -73.3 | 165.4 | 0 | 0 | 0 | 110.6 | V238 L243 V253 A255 N265 A266 R273 L274 | V238-I269 HydrophobicContact CB-CD1 3.9Å; V238-I269 HydrophobicContact CG1-CD1 3.38Å; V238-I269 HydrophobicContact CG2-CD1 4.32Å; L243-I269 HydrophobicContact CD1-CD1 3.73Å; L243-I269 HydrophobicContact CD1-CG1 3.81Å; L243-I269 HydrophobicContact CD2-CD1 4.48Å; V253-I269 HydrophobicContact CG1-CD1 4.49Å; A255-I269 HydrophobicContact CB-CD1 4.05Å; N265-I269 VanDerWaalsContact O-CG1 3.27Å; N265-I269 WeakPolarHBondContact O-CG1 3.09Å; N265-I269 PolarHBondContact O-N 3.03Å; A266-I269 PolarHBondContact O-N 3.22Å; I269-R273 PolarHBondContact O-N 2.7Å; I269-L274 HydrophobicContact CG2-CB 4.11Å; I269-L274 PolarHBondContact O-N 3.38Å |
| 270 | R | 93 | Very high | 93.3 | Very high | 134 Ų | 134 | 37.6 Ų | 37.6 | 51% | 0.506 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.2 | -50.3 | 178.1 | 176.6 | -176.3 | 167 | 132.2 | 0.1 | 111.5 | N62 A266 A267 L268 R272 R273 | N62-R270 PolarHBondContact OD1-NE 3.23Å; N62-R270 PolarHBondContact OD1-NH1 2.91Å; N62-R270 VanDerWaalsContact OD1-NH1 3.1Å; A266-R270 WeakPolarHBondContact O-CB 3.02Å; A266-R270 PolarHBondContact O-N 2.73Å; A267-R270 PolarHBondContact O-N 3.21Å; L268-R270 VanDerWaalsContact C-N 3.31Å; L268-R270 PolarHBondContact O-N 3.4Å; R270-R272 PolarHBondContact O-N 3.35Å; R270-R273 PolarHBondContact O-N 2.77Å |
| 271 | Q | 91 | Very high | 93.4 | Very high | 132 Ų | 132 | 40.5 Ų | 40.5 | 62% | 0.617 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -57.7 | -39.3 | -178.4 | -178 | -178.2 | -4.4 | 0 | 0 | 111.7 | A267 L268 R273 | A267-Q271 WeakPolarHBondContact O-CB 3.2Å; A267-Q271 PolarHBondContact O-N 3.45Å; L268-Q271 PolarHBondContact O-N 3.39Å; Q271-R273 VanDerWaalsContact C-N 3.34Å |
| 272 | R | 93.4 | Very high | 93.5 | Very high | 60 Ų | 60 | 46 Ų | 46 | 23% | 0.226 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 1.1 | 177.9 | -67.4 | -150.1 | -172 | 89.7 | -5.8 | 114.7 | M123 L124 D125 L268 R270 L274 N304 | M123-R272 PolarHBondContact O-NH2 3.34Å; L124-R272 PolarHBondContact O-NH1 3.46Å; L124-R272 PolarHBondContact O-NH2 2.96Å; D125-R272 PolarHBondContact O-NH2 3.09Å; L268-R272 PolarHBondContact O-N 3.3Å; R270-R272 PolarHBondContact O-N 3.35Å; R272-L274 HydrophobicContact CB-CD1 4.04Å; R272-L274 HydrophobicContact CB-CD2 4.32Å; R272-L274 HydrophobicContact CB-CG 3.72Å; R272-L274 PolarHBondContact O-N 3.45Å; R272-N304 PolarHBondContact O-ND2 3.39Å |
| 273 | R | 96.1 | Very high | 93.6 | Very high | 121 Ų | 121 | 46.6 Ų | 46.6 | 46% | 0.457 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 45.4 | -176.9 | -55.3 | 174.6 | 65.9 | -179.3 | 3.3 | 111.5 | I269 R270 Q271 G275 Y301 N304 | I269-R273 PolarHBondContact O-N 2.7Å; R270-R273 PolarHBondContact O-N 2.77Å; Q271-R273 VanDerWaalsContact C-N 3.34Å; R273-G275 VanDerWaalsContact C-N 3.33Å; R273-Y301 HydrophobicContact CB-CE1 4.46Å; R273-Y301 VanDerWaalsContact O-CD1 3.26Å; R273-Y301 WeakPolarHBondContact O-CD1 3.34Å; R273-N304 WeakPolarHBondContact CB-ND2 3.32Å; R273-N304 PolarHBondContact O-ND2 3.17Å |
| 274 | L | 97.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -88.4 | -9.7 | 173.5 | -58.3 | 179.6 | 0 | 0 | 0 | 111.8 | L124 P252 V253 I269 R272 N304 M305 M308 | L124-L274 HydrophobicContact CD1-CD1 4.1Å; P252-L274 WeakPolarHBondContact CA-O 3.47Å; V253-L274 PolarHBondContact N-O 3.33Å; I269-L274 HydrophobicContact CG2-CB 4.11Å; I269-L274 PolarHBondContact O-N 3.38Å; R272-L274 HydrophobicContact CB-CD1 4.04Å; R272-L274 HydrophobicContact CB-CD2 4.32Å; R272-L274 HydrophobicContact CB-CG 3.72Å; R272-L274 PolarHBondContact O-N 3.45Å; L274-N304 HydrophobicContact CD2-CB 3.93Å; L274-M305 HydrophobicContact CB-CE 3.76Å; L274-M305 HydrophobicContact CB-CG 4.32Å; L274-M305 HydrophobicContact CB-SD 3.91Å; L274-M305 HydrophobicContact CD1-SD 4.26Å; L274-M305 HydrophobicContact CD2-CG 4.21Å; L274-M305 HydrophobicContact CD2-SD 3.87Å; L274-M305 HydrophobicContact CG-SD 4.22Å; L274-M308 HydrophobicContact CD1-CG 4.23Å; L274-M308 HydrophobicContact CD2-CB 4.01Å; L274-M308 HydrophobicContact CD2-CG 4.5Å |
| 275 | G | 97.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.3 | -173.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V253 R273 Y301 | V253-G275 CarbonylContact O-C 3.59Å; V253-G275 WeakPolarHBondContact O-CA 3.3Å; R273-G275 VanDerWaalsContact C-N 3.33Å; G275-Y301 WeakPolarHBondContact O-CE1 3.07Å |
| 276 | I | 97.2 | Very high | 94.3 | Very high | 33 Ų | 33 | 58.4 Ų | 58.4 | 17% | 0.169 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132.9 | 179.4 | -65.9 | 178.2 | 0 | 0 | 0 | 108.9 | V253 V254 A255 A291 A294 I295 Y301 | V253-I276 PolarHBondContact O-N 3.34Å; V254-I276 CarbonylContact C-O 3.32Å; V254-I276 WeakPolarHBondContact CA-O 3.39Å; A255-I276 PolarHBondContact N-O 2.88Å; I276-A291 HydrophobicContact CB-CB 4.34Å; I276-A291 HydrophobicContact CG2-CB 3.84Å; I276-A294 HydrophobicContact CD1-CB 3.48Å; I276-A294 VanDerWaalsContact CD1-CB 3.48Å; I276-I295 HydrophobicContact CB-CD1 4.12Å; I276-I295 HydrophobicContact CD1-CD1 4.4Å; I276-I295 HydrophobicContact CD1-CG1 3.92Å; I276-I295 HydrophobicContact CG1-CD1 4.11Å; I276-I295 HydrophobicContact CG1-CG1 3.96Å; I276-Y301 HydrophobicContact CD1-CE2 4.42Å; I276-Y301 HydrophobicContact CG1-CE1 4.14Å; I276-Y301 WeakPolarHBondContact CG1-OH 3.44Å |
| 277 | F | 95.2 | Very high | 94.4 | Very high | 32 Ų | 32 | 59.8 Ų | 59.8 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 138 | 172.4 | 157.6 | -94.7 | 0 | 0 | 0 | 110.9 | I61 A255 P257 Y263 A266 E279 | I61-F277 HydrophobicContact CB-CE1 4.48Å; I61-F277 HydrophobicContact CD1-CE1 3.73Å; I61-F277 HydrophobicContact CD1-CE2 3.72Å; I61-F277 HydrophobicContact CD1-CZ 3.18Å; I61-F277 HydrophobicContact CG1-CD2 4.46Å; I61-F277 HydrophobicContact CG1-CE1 4.26Å; I61-F277 HydrophobicContact CG1-CE2 3.94Å; I61-F277 HydrophobicContact CG1-CZ 3.83Å; I61-F277 HydrophobicContact CG2-CB 4.5Å; I61-F277 HydrophobicContact CG2-CD1 3.55Å; I61-F277 HydrophobicContact CG2-CD2 4.21Å; I61-F277 HydrophobicContact CG2-CE1 3.72Å; I61-F277 HydrophobicContact CG2-CE2 4.34Å; I61-F277 HydrophobicContact CG2-CG 3.8Å; I61-F277 HydrophobicContact CG2-CZ 4.11Å; A255-F277 CarbonylContact O-C 3.42Å; A255-F277 WeakPolarHBondContact O-CA 3.49Å; P257-F277 HydrophobicContact CG-CD2 3.81Å; P257-F277 HydrophobicContact CG-CE2 3.44Å; P257-F277 VanDerWaalsContact CG-CE2 3.44Å; Y263-F277 HydrophobicContact CD1-CE2 4.5Å; A266-F277 HydrophobicContact CB-CB 4.35Å; A266-F277 HydrophobicContact CB-CD2 3.74Å; A266-F277 HydrophobicContact CB-CG 4.4Å; F277-E279 HydrophobicContact CE1-CB 4Å; F277-E279 HydrophobicContact CZ-CB 3.61Å; F277-E279 HydrophobicContact CZ-CG 4.19Å |
| 278 | L | 95.8 | Very high | 94.7 | Very high | 20 Ų | 20 | 59.5 Ų | 59.5 | 11% | 0.105 | 27% | 0.273 | C | S | . | . | trans | -125.1 | 131.7 | 168.5 | -70 | -179.9 | 0 | 0 | 0 | 110.4 | V254 A255 I256 K280 M283 F288 A291 | V254-L278 HydrophobicContact CG1-CD1 3.75Å; V254-L278 HydrophobicContact CG1-CG 4.19Å; A255-L278 PolarHBondContact O-N 3.42Å; I256-L278 HydrophobicContact CG1-CB 3.92Å; I256-L278 HydrophobicContact CG1-CD1 4.48Å; L278-K280 PolarHBondContact O-N 2.96Å; L278-M283 HydrophobicContact CD1-CG 4.33Å; L278-M283 HydrophobicContact CD1-SD 4.16Å; L278-F288 HydrophobicContact CD1-CD2 4.03Å; L278-A291 HydrophobicContact CD1-CB 3.74Å; L278-A291 HydrophobicContact CD2-CB 4.03Å; L278-A291 HydrophobicContact CG-CB 3.97Å | ||
| 279 | E | 92.4 | Very high | 95 | Very high | 59 Ų | 59 | 62.9 Ų | 62.9 | 28% | 0.276 | 29% | 0.286 | S | S | . | . | trans | -79.6 | 116 | 176.2 | -167.3 | -179.4 | 152.5 | 0 | 0 | 109.6 | F277 T281 K282 M283 | F277-E279 HydrophobicContact CE1-CB 4Å; F277-E279 HydrophobicContact CZ-CB 3.61Å; F277-E279 HydrophobicContact CZ-CG 4.19Å; E279-T281 PolarHBondContact O-N 3.25Å; E279-T281 PolarHBondContact OE1-OG1 3.47Å; E279-T281 VanDerWaalsContact OE1-OG1 3.11Å; E279-K282 HydrophobicContact CB-CB 4.36Å; E279-K282 PolarHBondContact O-N 3.03Å; E279-K282 VanDerWaalsContact OE1-CE 3.32Å; E279-K282 WeakPolarHBondContact OE1-CE 3.28Å; E279-K282 IonicContact OE1-NZ 3.46Å; E279-K282 PolarHBondContact OE1-NZ 3.34Å; E279-K282 WeakPolarHBondContact OE2-CD 3.23Å; E279-K282 VanDerWaalsContact OE2-CE 3.3Å; E279-K282 WeakPolarHBondContact OE2-CE 3.36Å; E279-K282 IonicContact OE2-NZ 2.7Å; E279-K282 PolarHBondContact OE2-NZ 2.98Å; E279-M283 PolarHBondContact O-N 3.04Å | ||
| 280 | K | 91 | Very high | 95.2 | Very high | 74 Ų | 74 | 64.8 Ų | 64.8 | 32% | 0.322 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -32.7 | -173.8 | 74.4 | -179.2 | -179.9 | 63.5 | 0 | 114.5 | I256 M258 L278 | I256-K280 HydrophobicContact CG2-CB 4Å; M258-K280 HydrophobicContact CE-CD 3.96Å; M258-K280 HydrophobicContact SD-CB 4.44Å; M258-K280 HydrophobicContact SD-CD 3.86Å; L278-K280 PolarHBondContact O-N 2.96Å |
| 281 | T | 89.5 | Confident | 95.4 | Very high | 98 Ų | 98 | 58.6 Ų | 58.6 | 60% | 0.601 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -15.8 | -177.7 | 45.3 | 0 | 0 | 0 | 0 | 113.4 | E279 | E279-T281 PolarHBondContact O-N 3.25Å; E279-T281 PolarHBondContact OE1-OG1 3.47Å; E279-T281 VanDerWaalsContact OE1-OG1 3.11Å |
| 282 | K | 91.3 | Very high | 95.8 | Very high | 141 Ų | 141 | 52.3 Ų | 52.3 | 61% | 0.613 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114 | -1.6 | 179.5 | -60 | -179 | -173.9 | 149.2 | 0 | 112.6 | E279 | E279-K282 HydrophobicContact CB-CB 4.36Å; E279-K282 PolarHBondContact O-N 3.03Å; E279-K282 VanDerWaalsContact OE1-CE 3.32Å; E279-K282 WeakPolarHBondContact OE1-CE 3.28Å; E279-K282 IonicContact OE1-NZ 3.46Å; E279-K282 PolarHBondContact OE1-NZ 3.34Å; E279-K282 WeakPolarHBondContact OE2-CD 3.23Å; E279-K282 VanDerWaalsContact OE2-CE 3.3Å; E279-K282 WeakPolarHBondContact OE2-CE 3.36Å; E279-K282 IonicContact OE2-NZ 2.7Å; E279-K282 PolarHBondContact OE2-NZ 2.98Å |
| 283 | M | 94.6 | Very high | 96 | Very high | 19 Ų | 19 | 53.3 Ų | 53.3 | 9% | 0.094 | 26% | 0.255 | C | S | . | . | trans | -69.9 | 134.3 | 180 | -172.5 | 179.6 | 71.4 | 0 | 0 | 110.3 | I181 I185 I256 L278 E279 F288 | I181-M283 HydrophobicContact CD1-CE 3.96Å; I181-M283 HydrophobicContact CG2-CE 3.91Å; I185-M283 HydrophobicContact CD1-CE 4.08Å; I185-M283 HydrophobicContact CG1-CE 4.2Å; I256-M283 HydrophobicContact CD1-SD 3.77Å; I256-M283 HydrophobicContact CG1-SD 4.34Å; L278-M283 HydrophobicContact CD1-CG 4.33Å; L278-M283 HydrophobicContact CD1-SD 4.16Å; E279-M283 PolarHBondContact O-N 3.04Å; M283-F288 HydrophobicContact CG-CB 4.2Å; M283-F288 HydrophobicContact SD-CB 4.41Å; M283-F288 HydrophobicContact SD-CD2 3.73Å; M283-F288 HydrophobicContact SD-CE2 4.41Å; M283-F288 HydrophobicContact SD-CG 4.38Å | ||
| 284 | N | 96 | Very high | 96.1 | Very high | 76 Ų | 76 | 48.7 Ų | 48.7 | 41% | 0.406 | 24% | 0.242 | S | C | . | . | trans | -141.7 | 175.7 | 175.6 | 60.3 | 25.3 | 0 | 0 | 0 | 109.1 | F286 S287 F288 | N284-F286 VanDerWaalsContact C-N 3.29Å; N284-F286 PolarHBondContact O-N 2.97Å; N284-F286 PolarHBondContact OD1-N 3.22Å; N284-S287 PolarHBondContact N-OG 3.18Å; N284-S287 PolarHBondContact O-N 3.48Å; N284-S287 PolarHBondContact O-OG 2.78Å; N284-S287 VanDerWaalsContact O-OG 3.09Å; N284-S287 WeakPolarHBondContact OD1-CB 3.21Å; N284-S287 PolarHBondContact OD1-N 3.09Å; N284-S287 PolarHBondContact OD1-OG 2.98Å; N284-F288 VanDerWaalsContact O-CB 3.27Å; N284-F288 WeakPolarHBondContact O-CB 3.39Å; N284-F288 PolarHBondContact O-N 3.24Å | ||
| 285 | E | 97.2 | Very high | 96.2 | Very high | 60 Ų | 60 | 49 Ų | 49 | 28% | 0.28 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -52.1 | -46.2 | -179.1 | -171.3 | -178.6 | 143.6 | 0 | 0 | 112.5 | S184 N187 V188 R289 | S184-E285 PolarHBondContact OG-N 3.18Å; N187-E285 HydrophobicContact CB-CG 4.14Å; N187-E285 VanDerWaalsContact CB-OE2 3.24Å; N187-E285 WeakPolarHBondContact CB-OE2 3.33Å; N187-E285 PolarHBondContact ND2-OE2 2.91Å; V188-E285 HydrophobicContact CG2-CG 3.7Å; E285-R289 WeakPolarHBondContact O-CB 3.3Å; E285-R289 PolarHBondContact O-N 3.42Å; E285-R289 IonicContact OE1-CZ 2.72Å; E285-R289 IonicContact OE1-NH1 3.65Å; E285-R289 IonicContact OE1-NH2 2.66Å; E285-R289 PolarHBondContact OE1-NH2 3.33Å |
| 286 | F | 97.6 | Very high | 96.2 | Very high | 154 Ų | 154 | 50.7 Ų | 50.7 | 68% | 0.675 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.2 | -55.7 | -178.7 | 178.3 | -97.5 | 0 | 0 | 0 | 112.1 | N284 F288 R289 S290 | N284-F286 VanDerWaalsContact C-N 3.29Å; N284-F286 PolarHBondContact O-N 2.97Å; N284-F286 PolarHBondContact OD1-N 3.22Å; F286-F288 VanDerWaalsContact C-N 3.27Å; F286-F288 PolarHBondContact O-N 2.96Å; F286-R289 PolarHBondContact O-N 2.91Å; F286-S290 WeakPolarHBondContact O-CB 3.47Å; F286-S290 PolarHBondContact O-N 2.99Å; F286-S290 PolarHBondContact O-OG 3.09Å |
| 287 | S | 97.6 | Very high | 96.2 | Very high | 28 Ų | 28 | 55.9 Ų | 55.9 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -35.5 | -179.2 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | N284 A291 | N284-S287 PolarHBondContact N-OG 3.18Å; N284-S287 PolarHBondContact O-N 3.48Å; N284-S287 PolarHBondContact O-OG 2.78Å; N284-S287 VanDerWaalsContact O-OG 3.09Å; N284-S287 WeakPolarHBondContact OD1-CB 3.21Å; N284-S287 PolarHBondContact OD1-N 3.09Å; N284-S287 PolarHBondContact OD1-OG 2.98Å; S287-A291 WeakPolarHBondContact O-CB 3.25Å; S287-A291 PolarHBondContact O-N 3.28Å; S287-A291 VanDerWaalsContact O-N 3.1Å |
| 288 | F | 98.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 58 Ų | 58 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.5 | -49.5 | 175 | -173.1 | -116.1 | 0 | 0 | 0 | 111.8 | I185 V188 F189 I235 I256 L278 M283 N284 F286 A291 I292 | I185-F288 HydrophobicContact CB-CE1 4.11Å; I185-F288 HydrophobicContact CB-CZ 4.47Å; I185-F288 HydrophobicContact CG1-CD1 4.29Å; I185-F288 HydrophobicContact CG1-CE1 4.02Å; I185-F288 HydrophobicContact CG1-CE2 4.41Å; I185-F288 HydrophobicContact CG1-CZ 4.06Å; I185-F288 HydrophobicContact CG2-CE1 3.86Å; I185-F288 HydrophobicContact CG2-CZ 4.02Å; V188-F288 HydrophobicContact CB-CD1 3.87Å; V188-F288 HydrophobicContact CB-CE1 4.18Å; V188-F288 HydrophobicContact CG1-CD1 4.12Å; V188-F288 HydrophobicContact CG1-CE1 4.31Å; V188-F288 HydrophobicContact CG2-CD1 3.81Å; F189-F288 HydrophobicContact CD1-CE1 4.28Å; F189-F288 AromaticContact CE1-CE1 3.59Å; F189-F288 HydrophobicContact CE1-CE1 3.59Å; F189-F288 AromaticContact CE1-CZ 3.77Å; F189-F288 HydrophobicContact CE1-CZ 3.77Å; F189-F288 AromaticContact CZ-CE1 3.81Å; F189-F288 HydrophobicContact CZ-CE1 3.81Å; F189-F288 AromaticContact CZ-CZ 3.65Å; F189-F288 HydrophobicContact CZ-CZ 3.65Å; I235-F288 HydrophobicContact CD1-CE2 3.94Å; I235-F288 HydrophobicContact CD1-CZ 3.62Å; I235-F288 HydrophobicContact CG2-CE2 4.02Å; I235-F288 HydrophobicContact CG2-CZ 4.43Å; I256-F288 HydrophobicContact CD1-CD2 4.43Å; I256-F288 HydrophobicContact CD1-CE2 4.12Å; L278-F288 HydrophobicContact CD1-CD2 4.03Å; M283-F288 HydrophobicContact CG-CB 4.2Å; M283-F288 HydrophobicContact SD-CB 4.41Å; M283-F288 HydrophobicContact SD-CD2 3.73Å; M283-F288 HydrophobicContact SD-CE2 4.41Å; M283-F288 HydrophobicContact SD-CG 4.38Å; N284-F288 VanDerWaalsContact O-CB 3.27Å; N284-F288 WeakPolarHBondContact O-CB 3.39Å; N284-F288 PolarHBondContact O-N 3.24Å; F286-F288 VanDerWaalsContact C-N 3.27Å; F286-F288 PolarHBondContact O-N 2.96Å; F288-A291 PolarHBondContact O-N 3.24Å; F288-I292 HydrophobicContact CD1-CD1 3.91Å; F288-I292 HydrophobicContact CD2-CD1 4.44Å; F288-I292 HydrophobicContact CE1-CD1 3.55Å; F288-I292 HydrophobicContact CE2-CD1 4.13Å; F288-I292 HydrophobicContact CG-CD1 4.34Å; F288-I292 HydrophobicContact CZ-CD1 3.68Å; F288-I292 WeakPolarHBondContact O-CG1 3.42Å; F288-I292 PolarHBondContact O-N 2.81Å |
| 289 | R | 98.2 | Very high | 96.3 | Very high | 73 Ų | 73 | 62 Ų | 62 | 28% | 0.275 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.1 | -50.4 | 175.1 | -177.4 | 178.3 | -64.2 | 149.7 | 9 | 111.3 | V188 E285 F286 A291 I292 E293 | V188-R289 HydrophobicContact CG1-CB 4.24Å; V188-R289 HydrophobicContact CG1-CG 4.5Å; V188-R289 HydrophobicContact CG2-CB 3.83Å; E285-R289 WeakPolarHBondContact O-CB 3.3Å; E285-R289 PolarHBondContact O-N 3.42Å; E285-R289 IonicContact OE1-CZ 2.72Å; E285-R289 IonicContact OE1-NH1 3.65Å; E285-R289 IonicContact OE1-NH2 2.66Å; E285-R289 PolarHBondContact OE1-NH2 3.33Å; F286-R289 PolarHBondContact O-N 2.91Å; R289-A291 VanDerWaalsContact C-N 3.3Å; R289-A291 PolarHBondContact O-N 2.89Å; R289-I292 PolarHBondContact O-N 3.29Å; R289-I292 VanDerWaalsContact O-N 3.15Å; R289-E293 WeakPolarHBondContact CD-OE1 3.47Å; R289-E293 HydrophobicContact CG-CG 4.19Å; R289-E293 VanDerWaalsContact CG-OE1 3.28Å; R289-E293 WeakPolarHBondContact CG-OE1 3.41Å; R289-E293 WeakPolarHBondContact O-CG 3.48Å; R289-E293 PolarHBondContact O-N 3.26Å |
| 290 | S | 98.2 | Very high | 96.6 | Very high | 41 Ų | 41 | 61.3 Ų | 61.3 | 29% | 0.287 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.1 | -38.3 | -178.1 | -61 | 0 | 0 | 0 | 0 | 112.6 | F286 A294 | F286-S290 WeakPolarHBondContact O-CB 3.47Å; F286-S290 PolarHBondContact O-N 2.99Å; F286-S290 PolarHBondContact O-OG 3.09Å; S290-A294 WeakPolarHBondContact O-CB 3.45Å; S290-A294 PolarHBondContact O-N 2.83Å |
| 291 | A | 98.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 59 Ų | 59 | 3% | 0.033 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V254 I276 L278 S287 F288 R289 I295 | V254-A291 HydrophobicContact CG1-CB 4.37Å; V254-A291 HydrophobicContact CG2-CB 4.23Å; I276-A291 HydrophobicContact CB-CB 4.34Å; I276-A291 HydrophobicContact CG2-CB 3.84Å; L278-A291 HydrophobicContact CD1-CB 3.74Å; L278-A291 HydrophobicContact CD2-CB 4.03Å; L278-A291 HydrophobicContact CG-CB 3.97Å; S287-A291 WeakPolarHBondContact O-CB 3.25Å; S287-A291 PolarHBondContact O-N 3.28Å; S287-A291 VanDerWaalsContact O-N 3.1Å; F288-A291 PolarHBondContact O-N 3.24Å; R289-A291 VanDerWaalsContact C-N 3.3Å; R289-A291 PolarHBondContact O-N 2.89Å; A291-I295 PolarHBondContact O-N 3.46Å |
| 292 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.6 | -53.5 | 176.8 | -68.6 | 168.7 | 0 | 0 | 0 | 109.9 | I164 V188 F189 M192 L233 I235 V254 F288 R289 A294 I295 L296 | I164-I292 HydrophobicContact CD1-CG2 4.12Å; V188-I292 HydrophobicContact CG1-CD1 4.07Å; F189-I292 HydrophobicContact CE1-CD1 4.12Å; M192-I292 HydrophobicContact CE-CG2 3.44Å; M192-I292 VanDerWaalsContact CE-CG2 3.44Å; M192-I292 HydrophobicContact SD-CD1 4.46Å; M192-I292 HydrophobicContact SD-CG2 3.91Å; L233-I292 HydrophobicContact CD2-CB 4.14Å; L233-I292 HydrophobicContact CD2-CG1 3.9Å; L233-I292 HydrophobicContact CD2-CG2 3.78Å; I235-I292 HydrophobicContact CD1-CD1 3.72Å; I235-I292 HydrophobicContact CD1-CG1 3.95Å; V254-I292 HydrophobicContact CG2-CG1 4.25Å; F288-I292 HydrophobicContact CD1-CD1 3.91Å; F288-I292 HydrophobicContact CD2-CD1 4.44Å; F288-I292 HydrophobicContact CE1-CD1 3.55Å; F288-I292 HydrophobicContact CE2-CD1 4.13Å; F288-I292 HydrophobicContact CG-CD1 4.34Å; F288-I292 HydrophobicContact CZ-CD1 3.68Å; F288-I292 WeakPolarHBondContact O-CG1 3.42Å; F288-I292 PolarHBondContact O-N 2.81Å; R289-I292 PolarHBondContact O-N 3.29Å; R289-I292 VanDerWaalsContact O-N 3.15Å; I292-A294 VanDerWaalsContact C-N 3.32Å; I292-A294 PolarHBondContact O-N 3.01Å; I292-I295 PolarHBondContact O-N 2.99Å; I292-L296 HydrophobicContact CG2-CD1 3.52Å; I292-L296 HydrophobicContact CG2-CG 4.25Å; I292-L296 VanDerWaalsContact O-CG 3.3Å; I292-L296 WeakPolarHBondContact O-CG 3.43Å; I292-L296 PolarHBondContact O-N 2.92Å |
| 293 | E | 98.2 | Very high | 97.7 | Very high | 80 Ų | 80 | 57.9 Ų | 57.9 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.1 | -40.3 | -179.3 | -72.4 | 174.7 | 173 | 0 | 0 | 112.1 | R289 I295 L296 H297 | R289-E293 WeakPolarHBondContact CD-OE1 3.47Å; R289-E293 HydrophobicContact CG-CG 4.19Å; R289-E293 VanDerWaalsContact CG-OE1 3.28Å; R289-E293 WeakPolarHBondContact CG-OE1 3.41Å; R289-E293 WeakPolarHBondContact O-CG 3.48Å; R289-E293 PolarHBondContact O-N 3.26Å; E293-I295 VanDerWaalsContact C-N 3.3Å; E293-I295 PolarHBondContact O-N 3.15Å; E293-L296 PolarHBondContact O-N 3.19Å; E293-H297 WeakPolarHBondContact O-CB 3.28Å; E293-H297 PolarHBondContact O-N 3.09Å; E293-H297 PolarHBondContact O-ND1 2.72Å |
| 294 | A | 98.1 | Very high | 97.9 | Very high | 24 Ų | 24 | 58.9 Ų | 58.9 | 20% | 0.198 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I276 S290 I292 Q298 | I276-A294 HydrophobicContact CD1-CB 3.48Å; I276-A294 VanDerWaalsContact CD1-CB 3.48Å; S290-A294 WeakPolarHBondContact O-CB 3.45Å; S290-A294 PolarHBondContact O-N 2.83Å; I292-A294 VanDerWaalsContact C-N 3.32Å; I292-A294 PolarHBondContact O-N 3.01Å; A294-Q298 WeakPolarHBondContact O-CB 3.26Å; A294-Q298 VanDerWaalsContact O-CG 3.24Å; A294-Q298 WeakPolarHBondContact O-CG 3.4Å; A294-Q298 PolarHBondContact O-N 2.89Å |
| 295 | I | 98.4 | Very high | 98 | Very high | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.041 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.1 | -43.5 | 176.3 | -71 | 168 | 0 | 0 | 0 | 111.4 | L233 P252 V253 V254 I276 A291 I292 E293 H297 Y301 | L233-I295 HydrophobicContact CD1-CB 4.25Å; L233-I295 HydrophobicContact CD1-CD1 3.82Å; L233-I295 HydrophobicContact CD1-CG2 3.75Å; P252-I295 HydrophobicContact CB-CG2 3.48Å; P252-I295 VanDerWaalsContact CB-CG2 3.48Å; P252-I295 HydrophobicContact CG-CG2 4.27Å; V253-I295 VanDerWaalsContact O-CD1 3.29Å; V253-I295 WeakPolarHBondContact O-CD1 3.38Å; V254-I295 HydrophobicContact CG2-CD1 3.6Å; I276-I295 HydrophobicContact CB-CD1 4.12Å; I276-I295 HydrophobicContact CD1-CD1 4.4Å; I276-I295 HydrophobicContact CD1-CG1 3.92Å; I276-I295 HydrophobicContact CG1-CD1 4.11Å; I276-I295 HydrophobicContact CG1-CG1 3.96Å; A291-I295 PolarHBondContact O-N 3.46Å; I292-I295 PolarHBondContact O-N 2.99Å; E293-I295 VanDerWaalsContact C-N 3.3Å; E293-I295 PolarHBondContact O-N 3.15Å; I295-H297 PolarHBondContact O-N 2.92Å; I295-Y301 HydrophobicContact CB-CD2 4.28Å; I295-Y301 HydrophobicContact CG1-CD1 4.47Å; I295-Y301 HydrophobicContact CG1-CD2 3.97Å; I295-Y301 HydrophobicContact CG1-CE2 4.12Å; I295-Y301 HydrophobicContact CG1-CG 4.15Å |
| 296 | L | 98 | Very high | 98 | Very high | 40 Ų | 40 | 58.6 Ų | 58.6 | 21% | 0.209 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.4 | -34.2 | -177.2 | -66.5 | 173.7 | 0 | 0 | 0 | 112.6 | I164 M192 Y195 V232 L233 I292 E293 | I164-L296 HydrophobicContact CD1-CD1 4.15Å; M192-L296 HydrophobicContact CE-CD1 3.72Å; Y195-L296 HydrophobicContact CE1-CD1 4.05Å; Y195-L296 HydrophobicContact CE1-CD2 4.17Å; Y195-L296 HydrophobicContact CE2-CD1 4.06Å; V232-L296 HydrophobicContact CB-CD2 3.97Å; V232-L296 HydrophobicContact CG2-CD2 3.65Å; L233-L296 HydrophobicContact CB-CD2 4.23Å; I292-L296 HydrophobicContact CG2-CD1 3.52Å; I292-L296 HydrophobicContact CG2-CG 4.25Å; I292-L296 VanDerWaalsContact O-CG 3.3Å; I292-L296 WeakPolarHBondContact O-CG 3.43Å; I292-L296 PolarHBondContact O-N 2.92Å; E293-L296 PolarHBondContact O-N 3.19Å |
| 297 | H | 97.6 | Very high | 98.1 | Very high | 141 Ų | 141 | 54.7 Ų | 54.7 | 65% | 0.653 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -89.9 | -21.3 | -179.5 | -64.1 | 107.1 | 0 | 0 | 0 | 114.2 | E293 I295 P299 | E293-H297 WeakPolarHBondContact O-CB 3.28Å; E293-H297 PolarHBondContact O-N 3.09Å; E293-H297 PolarHBondContact O-ND1 2.72Å; I295-H297 PolarHBondContact O-N 2.92Å; H297-P299 VanDerWaalsContact O-CD 3.3Å; H297-P299 WeakPolarHBondContact O-CD 3.22Å |
| 298 | Q | 97.3 | Very high | 98 | Very high | 77 Ų | 77 | 53.7 Ų | 53.7 | 36% | 0.36 | 27% | 0.27 | S | S | . | . | trans | -98.7 | 105.8 | -179.4 | -65.5 | 178.9 | 48.8 | 0 | 0 | 111.6 | A294 T300 Y301 | A294-Q298 WeakPolarHBondContact O-CB 3.26Å; A294-Q298 VanDerWaalsContact O-CG 3.24Å; A294-Q298 WeakPolarHBondContact O-CG 3.4Å; A294-Q298 PolarHBondContact O-N 2.89Å; Q298-T300 PolarHBondContact O-N 3.5Å; Q298-Y301 HydrophobicContact CB-CD2 3.83Å; Q298-Y301 HydrophobicContact CB-CE2 3.87Å; Q298-Y301 HydrophobicContact CG-CE2 4.47Å; Q298-Y301 PolarHBondContact O-N 3.19Å | ||
| 299 | P | 96.6 | Very high | 98 | Very high | 103 Ų | 103 | 54 Ų | 54 | 67% | 0.669 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63 | -18.6 | -176.6 | 24.9 | -34.9 | 0 | 0 | 0 | 113.5 | H297 Y301 K302 K303 | H297-P299 VanDerWaalsContact O-CD 3.3Å; H297-P299 WeakPolarHBondContact O-CD 3.22Å; P299-Y301 VanDerWaalsContact C-N 3.28Å; P299-Y301 PolarHBondContact O-N 2.93Å; P299-K302 PolarHBondContact O-N 3.23Å; P299-K303 WeakPolarHBondContact O-CB 3.36Å; P299-K303 PolarHBondContact O-N 3.15Å |
| 300 | T | 97.8 | Very high | 97.9 | Very high | 45 Ų | 45 | 53.4 Ų | 53.4 | 28% | 0.276 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -55.6 | -39.4 | 178.9 | -56.6 | 0 | 0 | 0 | 0 | 112.6 | Q298 K303 N304 | Q298-T300 PolarHBondContact O-N 3.5Å; T300-K303 PolarHBondContact O-N 3.01Å; T300-N304 WeakPolarHBondContact CG2-ND2 3.45Å; T300-N304 WeakPolarHBondContact O-CB 3.42Å; T300-N304 PolarHBondContact O-N 3Å; T300-N304 PolarHBondContact O-ND2 2.84Å; T300-N304 PolarHBondContact O-OD1 2.75Å |
| 301 | Y | 98.5 | Very high | 97.7 | Very high | 26 Ų | 26 | 55.4 Ų | 55.4 | 10% | 0.102 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.5 | -46.7 | -179.6 | -66.5 | -73.4 | 0 | 0 | 0 | 111.9 | R273 G275 I276 I295 Q298 P299 N304 M305 | R273-Y301 HydrophobicContact CB-CE1 4.46Å; R273-Y301 VanDerWaalsContact O-CD1 3.26Å; R273-Y301 WeakPolarHBondContact O-CD1 3.34Å; G275-Y301 WeakPolarHBondContact O-CE1 3.07Å; I276-Y301 HydrophobicContact CD1-CE2 4.42Å; I276-Y301 HydrophobicContact CG1-CE1 4.14Å; I276-Y301 WeakPolarHBondContact CG1-OH 3.44Å; I295-Y301 HydrophobicContact CB-CD2 4.28Å; I295-Y301 HydrophobicContact CG1-CD1 4.47Å; I295-Y301 HydrophobicContact CG1-CD2 3.97Å; I295-Y301 HydrophobicContact CG1-CE2 4.12Å; I295-Y301 HydrophobicContact CG1-CG 4.15Å; Q298-Y301 HydrophobicContact CB-CD2 3.83Å; Q298-Y301 HydrophobicContact CB-CE2 3.87Å; Q298-Y301 HydrophobicContact CG-CE2 4.47Å; Q298-Y301 PolarHBondContact O-N 3.19Å; P299-Y301 VanDerWaalsContact C-N 3.28Å; P299-Y301 PolarHBondContact O-N 2.93Å; Y301-N304 PolarHBondContact O-N 3.34Å; Y301-M305 WeakPolarHBondContact O-CB 3.43Å; Y301-M305 PolarHBondContact O-N 3.4Å |
| 302 | K | 98.2 | Very high | 97.5 | Very high | 69 Ų | 69 | 55.4 Ų | 55.4 | 30% | 0.3 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66 | -40 | 176.5 | -172.4 | 66.1 | 173 | -173.4 | 0 | 111.5 | A250 P252 P299 M305 K306 | A250-K302 WeakPolarHBondContact O-CD 3.37Å; A250-K302 VanDerWaalsContact O-CE 3.3Å; A250-K302 WeakPolarHBondContact O-CE 3.29Å; A250-K302 PolarHBondContact O-NZ 2.75Å; P252-K302 HydrophobicContact CG-CB 4.07Å; P252-K302 HydrophobicContact CG-CD 4.04Å; P299-K302 PolarHBondContact O-N 3.23Å; K302-M305 PolarHBondContact O-N 3.4Å; K302-K306 WeakPolarHBondContact O-CG 3.37Å; K302-K306 PolarHBondContact O-N 2.9Å |
| 303 | K | 98.5 | Very high | 97.2 | Very high | 147 Ų | 147 | 60.6 Ų | 60.6 | 64% | 0.639 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59 | -50.6 | 175.2 | -176.3 | 178.9 | 178 | 179.1 | 0 | 111.1 | P299 T300 M305 K306 T307 | P299-K303 WeakPolarHBondContact O-CB 3.36Å; P299-K303 PolarHBondContact O-N 3.15Å; T300-K303 PolarHBondContact O-N 3.01Å; K303-M305 VanDerWaalsContact C-N 3.34Å; K303-M305 PolarHBondContact O-N 3.13Å; K303-K306 WeakPolarHBondContact O-CB 3.29Å; K303-K306 PolarHBondContact O-N 3.4Å; K303-T307 PolarHBondContact O-N 3.06Å; K303-T307 PolarHBondContact O-OG1 3.1Å |
| 304 | N | 98.4 | Very high | 96.9 | Very high | 40 Ų | 40 | 63.6 Ų | 63.6 | 21% | 0.214 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.2 | -37.9 | -179.8 | -67.8 | -9.7 | 0 | 0 | 0 | 112.2 | R272 R273 L274 T300 Y301 T307 M308 | R272-N304 PolarHBondContact O-ND2 3.39Å; R273-N304 WeakPolarHBondContact CB-ND2 3.32Å; R273-N304 PolarHBondContact O-ND2 3.17Å; L274-N304 HydrophobicContact CD2-CB 3.93Å; T300-N304 WeakPolarHBondContact CG2-ND2 3.45Å; T300-N304 WeakPolarHBondContact O-CB 3.42Å; T300-N304 PolarHBondContact O-N 3Å; T300-N304 PolarHBondContact O-ND2 2.84Å; T300-N304 PolarHBondContact O-OD1 2.75Å; Y301-N304 PolarHBondContact O-N 3.34Å; N304-T307 PolarHBondContact O-N 3.12Å; N304-M308 WeakPolarHBondContact O-CB 3.17Å; N304-M308 PolarHBondContact O-N 3.24Å |
| 305 | M | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.2 | -42 | 172.2 | -87.7 | -58.6 | -158.7 | 0 | 0 | 112.6 | A246 V247 A250 V251 P252 V253 L274 Y301 K302 K303 M308 S309 | A246-M305 HydrophobicContact CB-CE 4.35Å; V247-M305 HydrophobicContact CG2-CE 4.33Å; V247-M305 HydrophobicContact CG2-SD 4.08Å; A250-M305 HydrophobicContact CB-CB 4.36Å; V251-M305 WeakPolarHBondContact O-CE 3.34Å; P252-M305 HydrophobicContact CG-CG 4.2Å; V253-M305 HydrophobicContact CG2-CE 3.73Å; L274-M305 HydrophobicContact CB-CE 3.76Å; L274-M305 HydrophobicContact CB-CG 4.32Å; L274-M305 HydrophobicContact CB-SD 3.91Å; L274-M305 HydrophobicContact CD1-SD 4.26Å; L274-M305 HydrophobicContact CD2-CG 4.21Å; L274-M305 HydrophobicContact CD2-SD 3.87Å; L274-M305 HydrophobicContact CG-SD 4.22Å; Y301-M305 WeakPolarHBondContact O-CB 3.43Å; Y301-M305 PolarHBondContact O-N 3.4Å; K302-M305 PolarHBondContact O-N 3.4Å; K303-M305 VanDerWaalsContact C-N 3.34Å; K303-M305 PolarHBondContact O-N 3.13Å; M305-M308 PolarHBondContact O-N 2.94Å; M305-S309 VanDerWaalsContact O-CB 3.29Å; M305-S309 WeakPolarHBondContact O-CB 3.15Å; M305-S309 PolarHBondContact O-N 2.94Å |
| 306 | K | 98.4 | Very high | 96.2 | Very high | 130 Ų | 130 | 74 Ų | 74 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.5 | -45.6 | 174.4 | -75 | -177.4 | 177.3 | -174 | 0 | 111.6 | A250 K302 K303 M308 S309 A310 | A250-K306 HydrophobicContact CB-CG 3.96Å; K302-K306 WeakPolarHBondContact O-CG 3.37Å; K302-K306 PolarHBondContact O-N 2.9Å; K303-K306 WeakPolarHBondContact O-CB 3.29Å; K303-K306 PolarHBondContact O-N 3.4Å; K306-M308 PolarHBondContact O-N 3.01Å; K306-S309 WeakPolarHBondContact O-CB 3.48Å; K306-S309 PolarHBondContact O-N 3.47Å; K306-A310 PolarHBondContact O-N 3.45Å |
| 307 | T | 98 | Very high | 95.9 | Very high | 71 Ų | 71 | 75.8 Ų | 75.8 | 44% | 0.436 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 175.8 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | K303 N304 A310 M311 | K303-T307 PolarHBondContact O-N 3.06Å; K303-T307 PolarHBondContact O-OG1 3.1Å; N304-T307 PolarHBondContact O-N 3.12Å; T307-A310 PolarHBondContact O-N 3.07Å; T307-M311 HydrophobicContact CG2-CE 4.09Å; T307-M311 HydrophobicContact CG2-SD 4.34Å; T307-M311 WeakPolarHBondContact O-CG 3.33Å; T307-M311 PolarHBondContact O-N 3.28Å |
| 308 | M | 97.1 | Very high | 95.5 | Very high | 8 Ų | 8 | 72.8 Ų | 72.8 | 4% | 0.039 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.8 | -41 | 178 | -173.5 | 55.5 | 60.8 | 0 | 0 | 112.2 | L124 V247 L274 N304 M305 K306 A310 M311 T312 | L124-M308 HydrophobicContact CB-SD 4.39Å; L124-M308 HydrophobicContact CD1-CG 4.07Å; L124-M308 HydrophobicContact CD1-SD 4.13Å; V247-M308 HydrophobicContact CG1-CB 4.38Å; V247-M308 HydrophobicContact CG1-CG 3.65Å; V247-M308 HydrophobicContact CG2-CG 4.27Å; L274-M308 HydrophobicContact CD1-CG 4.23Å; L274-M308 HydrophobicContact CD2-CB 4.01Å; L274-M308 HydrophobicContact CD2-CG 4.5Å; N304-M308 WeakPolarHBondContact O-CB 3.17Å; N304-M308 PolarHBondContact O-N 3.24Å; M305-M308 PolarHBondContact O-N 2.94Å; K306-M308 PolarHBondContact O-N 3.01Å; M308-A310 VanDerWaalsContact C-N 3.33Å; M308-A310 PolarHBondContact O-N 2.76Å; M308-M311 HydrophobicContact CE-CE 3.53Å; M308-M311 PolarHBondContact O-N 3.33Å; M308-M311 HydrophobicContact SD-CE 3.9Å; M308-T312 HydrophobicContact CG-CG2 4.28Å; M308-T312 WeakPolarHBondContact O-CB 3.43Å; M308-T312 WeakPolarHBondContact O-CG2 3.3Å; M308-T312 PolarHBondContact O-N 3Å; M308-T312 PolarHBondContact O-OG1 3.34Å; M308-T312 HydrophobicContact SD-CG2 3.84Å |
| 309 | S | 96.9 | Very high | 95.2 | Very high | 8 Ų | 8 | 69.6 Ų | 69.6 | 6% | 0.056 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.7 | -44.6 | 174 | -165.9 | 0 | 0 | 0 | 0 | 111.8 | V247 C248 M305 K306 T312 K313 | V247-S309 WeakPolarHBondContact O-CA 3.4Å; V247-S309 WeakPolarHBondContact O-CB 3.48Å; V247-S309 PolarHBondContact O-OG 2.93Å; C248-S309 PolarHBondContact O-OG 3.49Å; M305-S309 VanDerWaalsContact O-CB 3.29Å; M305-S309 WeakPolarHBondContact O-CB 3.15Å; M305-S309 PolarHBondContact O-N 2.94Å; K306-S309 WeakPolarHBondContact O-CB 3.48Å; K306-S309 PolarHBondContact O-N 3.47Å; S309-T312 WeakPolarHBondContact CA-OG1 3.17Å; S309-T312 PolarHBondContact O-OG1 2.95Å; S309-K313 WeakPolarHBondContact O-CB 3.21Å; S309-K313 WeakPolarHBondContact O-CD 3.48Å; S309-K313 VanDerWaalsContact O-CG 3.26Å; S309-K313 WeakPolarHBondContact O-CG 3.43Å; S309-K313 PolarHBondContact O-N 3.15Å; S309-K313 VanDerWaalsContact O-N 3.12Å; S309-K313 WeakPolarHBondContact OG-CE 3.39Å; S309-K313 PolarHBondContact OG-NZ 2.72Å; S309-K313 VanDerWaalsContact OG-NZ 3.1Å |
| 310 | A | 96.5 | Very high | 94.9 | Very high | 60 Ų | 60 | 70 Ų | 70 | 50% | 0.496 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.3 | -51.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K306 T307 M308 T312 K313 D314 | K306-A310 PolarHBondContact O-N 3.45Å; T307-A310 PolarHBondContact O-N 3.07Å; M308-A310 VanDerWaalsContact C-N 3.33Å; M308-A310 PolarHBondContact O-N 2.76Å; A310-T312 VanDerWaalsContact C-N 3.31Å; A310-T312 PolarHBondContact O-N 3.18Å; A310-K313 PolarHBondContact O-N 3.39Å; A310-K313 VanDerWaalsContact O-N 3.16Å; A310-D314 WeakPolarHBondContact O-CB 3.46Å; A310-D314 PolarHBondContact O-N 3.25Å |
| 311 | M | 94.5 | Very high | 94.7 | Very high | 82 Ų | 82 | 72.2 Ų | 72.2 | 40% | 0.404 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61 | -37.5 | 179.3 | -68.4 | -175 | -56.6 | 0 | 0 | 113 | T307 M308 K313 | T307-M311 HydrophobicContact CG2-CE 4.09Å; T307-M311 HydrophobicContact CG2-SD 4.34Å; T307-M311 WeakPolarHBondContact O-CG 3.33Å; T307-M311 PolarHBondContact O-N 3.28Å; M308-M311 HydrophobicContact CE-CE 3.53Å; M308-M311 PolarHBondContact O-N 3.33Å; M308-M311 HydrophobicContact SD-CE 3.9Å; M311-K313 VanDerWaalsContact C-N 3.34Å |
| 312 | T | 93.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 73.2 Ų | 73.2 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -76.7 | -19.8 | 179.7 | 49.9 | 0 | 0 | 0 | 0 | 113.1 | M123 L124 V247 M308 S309 A310 K315 | M123-T312 HydrophobicContact CB-CG2 4.01Å; L124-T312 HydrophobicContact CB-CG2 4.13Å; V247-T312 HydrophobicContact CG1-CG2 3.99Å; V247-T312 WeakPolarHBondContact CG1-OG1 3.15Å; M308-T312 HydrophobicContact CG-CG2 4.28Å; M308-T312 WeakPolarHBondContact O-CB 3.43Å; M308-T312 WeakPolarHBondContact O-CG2 3.3Å; M308-T312 PolarHBondContact O-N 3Å; M308-T312 PolarHBondContact O-OG1 3.34Å; M308-T312 HydrophobicContact SD-CG2 3.84Å; S309-T312 WeakPolarHBondContact CA-OG1 3.17Å; S309-T312 PolarHBondContact O-OG1 2.95Å; A310-T312 VanDerWaalsContact C-N 3.31Å; A310-T312 PolarHBondContact O-N 3.18Å; T312-K315 WeakPolarHBondContact O-CE 3.42Å |
| 313 | K | 92.4 | Very high | 94.2 | Very high | 109 Ų | 109 | 70.2 Ų | 70.2 | 47% | 0.474 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -94 | -23.5 | 176.5 | -71.9 | 170.9 | -179.1 | 165.9 | 0 | 113.4 | C141 C248 S309 A310 M311 K315 | C141-K313 WeakPolarHBondContact SG-CE 3.44Å; C248-K313 WeakPolarHBondContact O-CE 3.16Å; C248-K313 PolarHBondContact O-NZ 2.87Å; S309-K313 WeakPolarHBondContact O-CB 3.21Å; S309-K313 WeakPolarHBondContact O-CD 3.48Å; S309-K313 VanDerWaalsContact O-CG 3.26Å; S309-K313 WeakPolarHBondContact O-CG 3.43Å; S309-K313 PolarHBondContact O-N 3.15Å; S309-K313 VanDerWaalsContact O-N 3.12Å; S309-K313 WeakPolarHBondContact OG-CE 3.39Å; S309-K313 PolarHBondContact OG-NZ 2.72Å; S309-K313 VanDerWaalsContact OG-NZ 3.1Å; A310-K313 PolarHBondContact O-N 3.39Å; A310-K313 VanDerWaalsContact O-N 3.16Å; M311-K313 VanDerWaalsContact C-N 3.34Å; K313-K315 VanDerWaalsContact C-N 3.29Å; K313-K315 PolarHBondContact O-N 3.2Å |
| 314 | D | 92.7 | Very high | 94 | Very high | 143 Ų | 143 | 68.4 Ų | 68.4 | 77% | 0.765 | 35% | 0.349 | S | S | * | . | trans | -77.1 | 79.7 | 179 | -165.1 | 5.4 | 0 | 0 | 0 | 110.5 | A310 | A310-D314 WeakPolarHBondContact O-CB 3.46Å; A310-D314 PolarHBondContact O-N 3.25Å | ||
| 315 | K | 89.9 | Confident | 93.9 | Very high | 67 Ų | 67 | 71.1 Ų | 71.1 | 29% | 0.291 | 36% | 0.359 | S | S | . | . | trans | -115.2 | 145.6 | -178.3 | -55.1 | -177.2 | -166.6 | 179.7 | 0 | 109.7 | D138 T312 K313 I317 D319 | D138-K315 IonicContact OD2-NZ 2.7Å; D138-K315 PolarHBondContact OD2-NZ 2.91Å; T312-K315 WeakPolarHBondContact O-CE 3.42Å; K313-K315 VanDerWaalsContact C-N 3.29Å; K313-K315 PolarHBondContact O-N 3.2Å; K315-I317 VanDerWaalsContact CB-O 3.3Å; K315-I317 WeakPolarHBondContact CB-O 3.33Å; K315-I317 PolarHBondContact O-N 3.16Å; K315-D319 WeakPolarHBondContact CD-OD2 3.45Å; K315-D319 WeakPolarHBondContact CE-OD2 3.23Å; K315-D319 IonicContact NZ-OD2 3.71Å; K315-D319 PolarHBondContact NZ-OD2 2.8Å | ||
| 316 | I | 91.4 | Very high | 93.7 | Very high | 184 Ų | 184 | 73.6 Ų | 73.6 | 94% | 0.944 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -57.2 | -38 | 172.2 | -61.8 | 173 | 0 | 0 | 0 | 111 | ||
| 317 | I | 91.8 | Very high | 93.6 | Very high | 76 Ų | 76 | 69.2 Ų | 69.2 | 39% | 0.39 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -144.4 | 145.7 | 178.7 | -174.2 | 168.2 | 0 | 0 | 0 | 108.8 | K315 E321 K322 | K315-I317 VanDerWaalsContact CB-O 3.3Å; K315-I317 WeakPolarHBondContact CB-O 3.33Å; K315-I317 PolarHBondContact O-N 3.16Å; I317-E321 HydrophobicContact CD1-CB 3.9Å; I317-E321 HydrophobicContact CG1-CB 3.82Å; I317-K322 HydrophobicContact CG2-CB 3.88Å; I317-K322 HydrophobicContact CG2-CG 4.23Å |
| 318 | D | 89.8 | Confident | 93.5 | Very high | 78 Ų | 78 | 68.5 Ų | 68.5 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | trans | -59 | 140 | 170.8 | -173.4 | -75.8 | 0 | 0 | 0 | 109.9 | S140 L320 E321 K322 | S140-D318 PolarHBondContact OG-OD1 3.23Å; S140-D318 VanDerWaalsContact OG-OD1 3.12Å; D318-L320 VanDerWaalsContact C-N 3.27Å; D318-L320 PolarHBondContact O-N 3.35Å; D318-L320 WeakPolarHBondContact OD1-CB 3.35Å; D318-L320 PolarHBondContact OD1-N 3.49Å; D318-E321 HydrophobicContact CB-CG 4.47Å; D318-E321 PolarHBondContact O-N 3.25Å; D318-E321 VanDerWaalsContact O-N 3.14Å; D318-K322 WeakPolarHBondContact O-CB 3.41Å; D318-K322 PolarHBondContact O-N 2.88Å | ||
| 319 | D | 91 | Very high | 93.4 | Very high | 10 Ų | 10 | 70.3 Ų | 70.3 | 5% | 0.053 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.1 | -29.6 | -174.6 | -85.8 | -52.1 | 0 | 0 | 0 | 113.1 | I137 D138 K315 K322 G323 | I137-D319 HydrophobicContact CG2-CB 3.97Å; I137-D319 WeakPolarHBondContact CG2-O 3.34Å; D138-D319 HydrophobicContact CB-CB 4.4Å; D138-D319 WeakPolarHBondContact CB-OD2 3.38Å; D138-D319 VanDerWaalsContact N-CG 3.29Å; D138-D319 PolarHBondContact N-OD2 3.47Å; D138-D319 VanDerWaalsContact O-CB 3.28Å; D138-D319 WeakPolarHBondContact O-CB 3.38Å; K315-D319 WeakPolarHBondContact CD-OD2 3.45Å; K315-D319 WeakPolarHBondContact CE-OD2 3.23Å; K315-D319 IonicContact NZ-OD2 3.71Å; K315-D319 PolarHBondContact NZ-OD2 2.8Å; D319-K322 WeakPolarHBondContact O-CB 3.4Å; D319-K322 PolarHBondContact O-N 3.3Å; D319-K322 WeakPolarHBondContact OD1-CD 3.18Å; D319-K322 IonicContact OD1-NZ 3.72Å; D319-G323 PolarHBondContact O-N 2.65Å |
| 320 | L | 89.9 | Confident | 93.3 | Very high | 112 Ų | 112 | 71 Ų | 71 | 59% | 0.586 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.6 | -45.6 | 173.3 | -179.4 | 62.6 | 0 | 0 | 0 | 111.1 | D318 K322 G323 K324 | D318-L320 VanDerWaalsContact C-N 3.27Å; D318-L320 PolarHBondContact O-N 3.35Å; D318-L320 WeakPolarHBondContact OD1-CB 3.35Å; D318-L320 PolarHBondContact OD1-N 3.49Å; L320-K322 VanDerWaalsContact C-N 3.33Å; L320-G323 PolarHBondContact O-N 3.07Å; L320-K324 WeakPolarHBondContact O-CB 3.37Å; L320-K324 PolarHBondContact O-N 2.84Å |
| 321 | E | 93.2 | Very high | 93.2 | Very high | 91 Ų | 91 | 72.2 Ų | 72.2 | 43% | 0.425 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.1 | -35.6 | 176.3 | -68.4 | -58.7 | 142 | 0 | 0 | 111.5 | I317 D318 K324 F325 | I317-E321 HydrophobicContact CD1-CB 3.9Å; I317-E321 HydrophobicContact CG1-CB 3.82Å; D318-E321 HydrophobicContact CB-CG 4.47Å; D318-E321 PolarHBondContact O-N 3.25Å; D318-E321 VanDerWaalsContact O-N 3.14Å; E321-K324 PolarHBondContact O-N 3.35Å; E321-K324 IonicContact OE2-NZ 2.77Å; E321-F325 VanDerWaalsContact O-CB 3.28Å; E321-F325 WeakPolarHBondContact O-CB 3.35Å; E321-F325 PolarHBondContact O-N 3.16Å |
| 322 | K | 93.8 | Very high | 93.3 | Very high | 48 Ų | 48 | 74.6 Ų | 74.6 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 171.1 | -173.9 | -171.8 | 175.5 | -171.1 | 0 | 111.2 | T136 I317 D318 D319 L320 F325 W326 | T136-K322 PolarHBondContact O-NZ 2.88Å; I317-K322 HydrophobicContact CG2-CB 3.88Å; I317-K322 HydrophobicContact CG2-CG 4.23Å; D318-K322 WeakPolarHBondContact O-CB 3.41Å; D318-K322 PolarHBondContact O-N 2.88Å; D319-K322 WeakPolarHBondContact O-CB 3.4Å; D319-K322 PolarHBondContact O-N 3.3Å; D319-K322 WeakPolarHBondContact OD1-CD 3.18Å; D319-K322 IonicContact OD1-NZ 3.72Å; L320-K322 VanDerWaalsContact C-N 3.33Å; K322-F325 WeakPolarHBondContact O-CB 3.48Å; K322-F325 PolarHBondContact O-N 3.21Å; K322-W326 PolarHBondContact O-N 3.01Å |
| 323 | G | 93.5 | Very high | 93.4 | Very high | 6 Ų | 6 | 79 Ų | 79 | 6% | 0.062 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.3 | -48 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | I137 D319 L320 F325 W326 I327 | I137-G323 VanDerWaalsContact CD1-CA 3.44Å; D319-G323 PolarHBondContact O-N 2.65Å; L320-G323 PolarHBondContact O-N 3.07Å; G323-F325 PolarHBondContact O-N 2.74Å; G323-W326 PolarHBondContact O-N 3.5Å; G323-I327 WeakPolarHBondContact O-CG1 3.28Å; G323-I327 PolarHBondContact O-N 3.46Å |
| 324 | K | 94.6 | Very high | 93.3 | Very high | 108 Ų | 108 | 77.3 Ų | 77.3 | 47% | 0.47 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -56.8 | -47.9 | 173.2 | 179.2 | -176 | 168.9 | -167.7 | 0 | 111.5 | L320 E321 W326 I327 D328 | L320-K324 WeakPolarHBondContact O-CB 3.37Å; L320-K324 PolarHBondContact O-N 2.84Å; E321-K324 PolarHBondContact O-N 3.35Å; E321-K324 IonicContact OE2-NZ 2.77Å; K324-W326 VanDerWaalsContact C-N 3.32Å; K324-W326 PolarHBondContact O-N 2.87Å; K324-I327 PolarHBondContact O-N 3.33Å; K324-D328 PolarHBondContact O-N 2.94Å |
| 325 | F | 95.4 | Very high | 93.2 | Very high | 98 Ų | 98 | 78.7 Ų | 78.7 | 43% | 0.43 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -54.9 | -46.3 | 177.4 | 170.6 | -90.5 | 0 | 0 | 0 | 112 | E321 K322 G323 D328 F329 | E321-F325 VanDerWaalsContact O-CB 3.28Å; E321-F325 WeakPolarHBondContact O-CB 3.35Å; E321-F325 PolarHBondContact O-N 3.16Å; K322-F325 WeakPolarHBondContact O-CB 3.48Å; K322-F325 PolarHBondContact O-N 3.21Å; G323-F325 PolarHBondContact O-N 2.74Å; F325-D328 PolarHBondContact O-N 3.32Å; F325-F329 HydrophobicContact CE1-CB 4.4Å; F325-F329 HydrophobicContact CZ-CD2 4.29Å; F325-F329 WeakPolarHBondContact O-CB 3.48Å; F325-F329 PolarHBondContact O-N 3.21Å |
| 326 | W | 94.9 | Very high | 93.2 | Very high | 52 Ų | 52 | 76.3 Ų | 76.3 | 20% | 0.197 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.3 | -37.4 | -180 | -78.8 | 112.7 | 0 | 0 | 0 | 113 | Y115 F117 F135 K322 G323 K324 F329 Y330 M340 | Y115-W326 HydrophobicContact CE1-CE3 4.25Å; Y115-W326 HydrophobicContact CE2-CB 4.25Å; Y115-W326 HydrophobicContact CE2-CE3 4.49Å; Y115-W326 WeakPolarHBondContact CE2-O 3.14Å; Y115-W326 AromaticContact CZ-CE3 3.91Å; F117-W326 HydrophobicContact CZ-CB 4.39Å; F135-W326 HydrophobicContact CE1-CD2 4.13Å; F135-W326 HydrophobicContact CE1-CG 4.19Å; F135-W326 AromaticContact CE2-CD1 3.5Å; F135-W326 HydrophobicContact CE2-CG 4.14Å; F135-W326 AromaticContact CE2-NE1 3.78Å; F135-W326 HydrophobicContact CZ-CB 3.99Å; F135-W326 AromaticContact CZ-CD1 3.21Å; F135-W326 AromaticContact CZ-CD2 3.8Å; F135-W326 HydrophobicContact CZ-CD2 3.8Å; F135-W326 AromaticContact CZ-CE2 3.87Å; F135-W326 AromaticContact CZ-CG 3.4Å; F135-W326 HydrophobicContact CZ-CG 3.4Å; F135-W326 VanDerWaalsContact CZ-CG 3.4Å; F135-W326 AromaticContact CZ-NE1 3.51Å; K322-W326 PolarHBondContact O-N 3.01Å; G323-W326 PolarHBondContact O-N 3.5Å; K324-W326 VanDerWaalsContact C-N 3.32Å; K324-W326 PolarHBondContact O-N 2.87Å; W326-F329 HydrophobicContact CE3-CD1 4.18Å; W326-F329 HydrophobicContact CZ3-CD1 4.14Å; W326-F329 HydrophobicContact CZ3-CE1 4.39Å; W326-F329 PolarHBondContact O-N 3.27Å; W326-Y330 PolarHBondContact O-N 3.03Å; W326-M340 HydrophobicContact CH2-CE 4.12Å; W326-M340 HydrophobicContact CH2-SD 4.44Å; W326-M340 HydrophobicContact CZ3-CE 3.67Å; W326-M340 HydrophobicContact CZ3-SD 3.9Å |
| 327 | I | 94.7 | Very high | 93 | Very high | 38 Ų | 38 | 68 Ų | 68 | 20% | 0.195 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.3 | -52.5 | 172.5 | -69.3 | 165.4 | 0 | 0 | 0 | 109.8 | L7 L9 I31 G323 K324 F329 Y330 L331 | L7-I327 HydrophobicContact CD2-CG1 4.33Å; L7-I327 HydrophobicContact CD2-CG2 3.89Å; L9-I327 HydrophobicContact CD2-CD1 4.13Å; I31-I327 HydrophobicContact CD1-CD1 4.37Å; I31-I327 HydrophobicContact CD1-CG1 3.7Å; G323-I327 WeakPolarHBondContact O-CG1 3.28Å; G323-I327 PolarHBondContact O-N 3.46Å; K324-I327 PolarHBondContact O-N 3.33Å; I327-F329 VanDerWaalsContact C-N 3.29Å; I327-F329 PolarHBondContact O-N 3.4Å; I327-Y330 WeakPolarHBondContact O-CB 3.24Å; I327-Y330 PolarHBondContact O-N 3.46Å; I327-L331 HydrophobicContact CG2-CD1 4.17Å; I327-L331 WeakPolarHBondContact O-CG 3.49Å; I327-L331 PolarHBondContact O-N 3.47Å |
| 328 | D | 95.9 | Very high | 92.9 | Very high | 55 Ų | 55 | 69.3 Ų | 69.3 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 179.2 | -68.4 | -16.1 | 0 | 0 | 0 | 111.7 | K324 F325 Y330 L331 R332 | K324-D328 PolarHBondContact O-N 2.94Å; F325-D328 PolarHBondContact O-N 3.32Å; D328-Y330 VanDerWaalsContact C-N 3.35Å; D328-L331 PolarHBondContact O-N 2.89Å; D328-R332 WeakPolarHBondContact O-CB 3.43Å; D328-R332 WeakPolarHBondContact O-CG 3.46Å; D328-R332 PolarHBondContact O-N 3.45Å |
| 329 | F | 95.7 | Very high | 93 | Very high | 47 Ų | 47 | 73.2 Ų | 73.2 | 21% | 0.206 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 176.4 | 179.9 | -89.1 | 0 | 0 | 0 | 111.4 | F325 W326 I327 R332 H333 A336 M340 | F325-F329 HydrophobicContact CE1-CB 4.4Å; F325-F329 HydrophobicContact CZ-CD2 4.29Å; F325-F329 WeakPolarHBondContact O-CB 3.48Å; F325-F329 PolarHBondContact O-N 3.21Å; W326-F329 HydrophobicContact CE3-CD1 4.18Å; W326-F329 HydrophobicContact CZ3-CD1 4.14Å; W326-F329 HydrophobicContact CZ3-CE1 4.39Å; W326-F329 PolarHBondContact O-N 3.27Å; I327-F329 VanDerWaalsContact C-N 3.29Å; I327-F329 PolarHBondContact O-N 3.4Å; F329-R332 PolarHBondContact O-N 3.01Å; F329-H333 AromaticContact CD2-CD2 3.96Å; F329-H333 AromaticContact CE2-CD2 3.79Å; F329-H333 WeakPolarHBondContact O-CB 3.44Å; F329-H333 PolarHBondContact O-N 2.95Å; F329-A336 HydrophobicContact CE1-CB 3.56Å; F329-A336 HydrophobicContact CZ-CB 4.1Å; F329-M340 HydrophobicContact CE1-CE 3.72Å; F329-M340 HydrophobicContact CZ-CE 4.22Å |
| 330 | Y | 94.8 | Very high | 93.1 | Very high | 22 Ų | 22 | 74.6 Ų | 74.6 | 9% | 0.086 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.4 | -45 | 174.3 | 174.2 | -101.8 | 0 | 0 | 0 | 112.1 | L7 S29 I114 W326 I327 D328 R332 H333 P334 A337 | L7-Y330 HydrophobicContact CD1-CD1 4.28Å; L7-Y330 HydrophobicContact CD1-CE1 4.15Å; S29-Y330 VanDerWaalsContact CB-OH 3.31Å; S29-Y330 WeakPolarHBondContact CB-OH 3.35Å; S29-Y330 PolarHBondContact OG-OH 3.02Å; I114-Y330 HydrophobicContact CB-CD2 4.3Å; I114-Y330 HydrophobicContact CB-CE2 4.17Å; I114-Y330 HydrophobicContact CD1-CD1 3.4Å; I114-Y330 VanDerWaalsContact CD1-CD1 3.4Å; I114-Y330 HydrophobicContact CD1-CD2 3.61Å; I114-Y330 HydrophobicContact CD1-CE1 3.7Å; I114-Y330 HydrophobicContact CD1-CE2 3.89Å; I114-Y330 HydrophobicContact CD1-CG 3.37Å; I114-Y330 HydrophobicContact CG2-CD2 4.32Å; I114-Y330 HydrophobicContact CG2-CE2 3.7Å; W326-Y330 PolarHBondContact O-N 3.03Å; I327-Y330 WeakPolarHBondContact O-CB 3.24Å; I327-Y330 PolarHBondContact O-N 3.46Å; D328-Y330 VanDerWaalsContact C-N 3.35Å; Y330-R332 VanDerWaalsContact C-N 3.3Å; Y330-R332 PolarHBondContact O-N 3.29Å; Y330-H333 CarbonylContact O-C 3.57Å; Y330-H333 PolarHBondContact O-N 2.98Å; Y330-H333 VanDerWaalsContact O-N 3.12Å; Y330-P334 HydrophobicContact CE2-CB 4.28Å; Y330-P334 VanDerWaalsContact CE2-O 3.31Å; Y330-P334 WeakPolarHBondContact CE2-O 3.46Å; Y330-P334 WeakPolarHBondContact O-CA 3.33Å; Y330-A337 HydrophobicContact CD2-CB 4.03Å; Y330-A337 HydrophobicContact CE2-CB 3.96Å |
| 331 | L | 94.6 | Very high | 93.2 | Very high | 86 Ų | 86 | 72.2 Ų | 72.2 | 45% | 0.45 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.7 | -36.8 | 179.1 | -66.1 | 175.1 | 0 | 0 | 0 | 112.1 | D6 I327 D328 | D6-L331 HydrophobicContact CB-CD2 4.08Å; I327-L331 HydrophobicContact CG2-CD1 4.17Å; I327-L331 WeakPolarHBondContact O-CG 3.49Å; I327-L331 PolarHBondContact O-N 3.47Å; D328-L331 PolarHBondContact O-N 2.89Å |
| 332 | R | 95.9 | Very high | 93.2 | Very high | 131 Ų | 131 | 71 Ų | 71 | 49% | 0.494 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -71.3 | -33.7 | 172.8 | -70.4 | -174.6 | -63.9 | -105.6 | -2.2 | 113.1 | D328 F329 Y330 | D328-R332 WeakPolarHBondContact O-CB 3.43Å; D328-R332 WeakPolarHBondContact O-CG 3.46Å; D328-R332 PolarHBondContact O-N 3.45Å; F329-R332 PolarHBondContact O-N 3.01Å; Y330-R332 VanDerWaalsContact C-N 3.3Å; Y330-R332 PolarHBondContact O-N 3.29Å |
| 333 | H | 95.1 | Very high | 93.2 | Very high | 97 Ų | 97 | 77.1 Ų | 77.1 | 45% | 0.449 | 37% | 0.368 | S | S | . | . | trans | -136 | 69.5 | -172.4 | -52.8 | -63.1 | 0 | 0 | 0 | 111.8 | F329 Y330 K335 A336 | F329-H333 AromaticContact CD2-CD2 3.96Å; F329-H333 AromaticContact CE2-CD2 3.79Å; F329-H333 WeakPolarHBondContact O-CB 3.44Å; F329-H333 PolarHBondContact O-N 2.95Å; Y330-H333 CarbonylContact O-C 3.57Å; Y330-H333 PolarHBondContact O-N 2.98Å; Y330-H333 VanDerWaalsContact O-N 3.12Å; H333-K335 PolarHBondContact O-N 3.46Å; H333-A336 HydrophobicContact CB-CB 3.93Å; H333-A336 WeakPolarHBondContact O-CB 3.5Å; H333-A336 PolarHBondContact O-N 3.08Å | ||
| 334 | P | 90.9 | Very high | 93.2 | Very high | 74 Ų | 74 | 77.6 Ų | 77.6 | 48% | 0.481 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -25.1 | -170.7 | 21.5 | -33.6 | 0 | 0 | 0 | 113.8 | Y330 A336 | Y330-P334 HydrophobicContact CE2-CB 4.28Å; Y330-P334 VanDerWaalsContact CE2-O 3.31Å; Y330-P334 WeakPolarHBondContact CE2-O 3.46Å; Y330-P334 WeakPolarHBondContact O-CA 3.33Å; P334-A336 VanDerWaalsContact C-N 3.34Å |
| 335 | K | 91.2 | Very high | 93.1 | Very high | 172 Ų | 172 | 72.7 Ų | 72.7 | 75% | 0.748 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -17.7 | 175 | -63.7 | -175.9 | -178.9 | 178.6 | 0 | 113.3 | H333 A337 T338 H339 | H333-K335 PolarHBondContact O-N 3.46Å; K335-A337 PolarHBondContact O-N 3.47Å; K335-T338 PolarHBondContact O-N 3.4Å; K335-T338 PolarHBondContact O-OG1 3.04Å; K335-H339 PolarHBondContact O-CD2 3.18Å |
| 336 | A | 90.1 | Very high | 92.9 | Very high | 17 Ų | 17 | 72.8 Ų | 72.8 | 14% | 0.14 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64 | -27.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F329 H333 P334 T338 H339 M340 | F329-A336 HydrophobicContact CE1-CB 3.56Å; F329-A336 HydrophobicContact CZ-CB 4.1Å; H333-A336 HydrophobicContact CB-CB 3.93Å; H333-A336 WeakPolarHBondContact O-CB 3.5Å; H333-A336 PolarHBondContact O-N 3.08Å; P334-A336 VanDerWaalsContact C-N 3.34Å; A336-T338 VanDerWaalsContact C-N 3.26Å; A336-T338 PolarHBondContact O-N 2.78Å; A336-H339 WeakPolarHBondContact O-CB 3.46Å; A336-H339 PolarHBondContact O-N 3.41Å; A336-H339 VanDerWaalsContact O-N 3.12Å; A336-M340 PolarHBondContact O-N 2.85Å |
| 337 | A | 87.1 | Confident | 92.8 | Very high | 11 Ų | 11 | 75.2 Ų | 75.2 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60 | -33.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | I114 Y330 K335 H339 M340 K341 | I114-A337 HydrophobicContact CB-CB 3.97Å; I114-A337 HydrophobicContact CG2-CB 4.19Å; Y330-A337 HydrophobicContact CD2-CB 4.03Å; Y330-A337 HydrophobicContact CE2-CB 3.96Å; K335-A337 PolarHBondContact O-N 3.47Å; A337-H339 VanDerWaalsContact C-N 3.35Å; A337-M340 PolarHBondContact O-N 3.42Å; A337-K341 PolarHBondContact O-N 3.25Å |
| 338 | T | 89.1 | Confident | 92.6 | Very high | 102 Ų | 102 | 77 Ų | 77 | 63% | 0.626 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -71.6 | -30.8 | 178.1 | 60.4 | 0 | 0 | 0 | 0 | 112.1 | K335 A336 M340 K341 | K335-T338 PolarHBondContact O-N 3.4Å; K335-T338 PolarHBondContact O-OG1 3.04Å; A336-T338 VanDerWaalsContact C-N 3.26Å; A336-T338 PolarHBondContact O-N 2.78Å; T338-M340 VanDerWaalsContact C-N 3.27Å; T338-M340 PolarHBondContact O-N 3.04Å; T338-K341 PolarHBondContact O-N 3.13Å |
| 339 | H | 91.4 | Very high | 92.2 | Very high | 161 Ų | 161 | 80 Ų | 80 | 75% | 0.745 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -69.7 | -23.2 | 174.8 | -67.7 | -83.1 | 0 | 0 | 0 | 113.2 | K335 A336 A337 | K335-H339 PolarHBondContact O-CD2 3.18Å; A336-H339 WeakPolarHBondContact O-CB 3.46Å; A336-H339 PolarHBondContact O-N 3.41Å; A336-H339 VanDerWaalsContact O-N 3.12Å; A337-H339 VanDerWaalsContact C-N 3.35Å |
| 340 | M | 93.1 | Very high | 92.1 | Very high | 39 Ų | 39 | 82.6 Ų | 82.6 | 19% | 0.192 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -8 | 179.8 | -61.8 | 173.7 | 179.6 | 0 | 0 | 113.2 | Y115 A132 N133 W326 F329 A336 A337 T338 | Y115-M340 HydrophobicContact CE1-SD 3.9Å; A132-M340 HydrophobicContact CB-CB 4.1Å; A132-M340 HydrophobicContact CB-CG 4.21Å; N133-M340 HydrophobicContact CB-CB 3.82Å; W326-M340 HydrophobicContact CH2-CE 4.12Å; W326-M340 HydrophobicContact CH2-SD 4.44Å; W326-M340 HydrophobicContact CZ3-CE 3.67Å; W326-M340 HydrophobicContact CZ3-SD 3.9Å; F329-M340 HydrophobicContact CE1-CE 3.72Å; F329-M340 HydrophobicContact CZ-CE 4.22Å; A336-M340 PolarHBondContact O-N 2.85Å; A337-M340 PolarHBondContact O-N 3.42Å; T338-M340 VanDerWaalsContact C-N 3.27Å; T338-M340 PolarHBondContact O-N 3.04Å |
| 341 | K | 92.3 | Very high | 92.2 | Very high | 62 Ų | 62 | 83.9 Ų | 83.9 | 27% | 0.27 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -76 | 125.6 | -179.4 | -169.1 | -173.8 | 179.2 | -155.8 | 0 | 110 | A337 T338 K343 V345 D346 | A337-K341 PolarHBondContact O-N 3.25Å; T338-K341 PolarHBondContact O-N 3.13Å; K341-K343 PolarHBondContact O-N 3.01Å; K341-V345 HydrophobicContact CG-CB 4.37Å; K341-V345 HydrophobicContact CG-CG2 4.24Å; K341-D346 IonicContact NZ-OD1 3.35Å; K341-D346 PolarHBondContact NZ-OD1 2.81Å; K341-D346 IonicContact NZ-OD2 3.22Å; K341-D346 PolarHBondContact NZ-OD2 2.97Å |
| 342 | L | 94.1 | Very high | 92.1 | Very high | 65 Ų | 65 | 82.8 Ų | 82.8 | 34% | 0.34 | 41% | 0.413 | S | S | . | . | trans | -64.6 | 134.3 | 173.4 | -64.5 | -179.6 | 0 | 0 | 0 | 110.3 | A47 I48 A131 G344 V345 | A47-L342 HydrophobicContact CB-CB 4.1Å; A47-L342 HydrophobicContact CB-CD1 4.38Å; A47-L342 WeakPolarHBondContact O-CD1 3.42Å; I48-L342 HydrophobicContact CG1-CD1 3.91Å; A131-L342 HydrophobicContact CB-CD1 3.81Å; A131-L342 HydrophobicContact CB-CG 4.09Å; L342-G344 VanDerWaalsContact C-N 3.26Å; L342-G344 PolarHBondContact O-N 3.1Å; L342-V345 HydrophobicContact CB-CG2 4.16Å; L342-V345 VanDerWaalsContact O-CB 3.29Å; L342-V345 WeakPolarHBondContact O-CB 3.41Å; L342-V345 WeakPolarHBondContact O-CG2 3.48Å; L342-V345 PolarHBondContact O-N 3.45Å; L342-V345 VanDerWaalsContact O-N 3.09Å | ||
| 343 | K | 92.2 | Very high | 92 | Very high | 176 Ų | 176 | 81 Ų | 81 | 77% | 0.765 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -58 | -38.4 | -179.5 | -69.2 | -175 | 178.1 | -179.3 | 0 | 112.9 | K341 V345 D346 | K341-K343 PolarHBondContact O-N 3.01Å; K343-V345 PolarHBondContact O-N 2.87Å; K343-D346 PolarHBondContact O-N 2.95Å |
| 344 | G | 93.6 | Very high | 92.1 | Very high | 16 Ų | 16 | 80.6 Ų | 80.6 | 17% | 0.165 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -61.1 | -14.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | L342 D346 F347 | L342-G344 VanDerWaalsContact C-N 3.26Å; L342-G344 PolarHBondContact O-N 3.1Å; G344-D346 PolarHBondContact O-N 3.09Å; G344-F347 PolarHBondContact O-N 3.22Å; G344-F347 VanDerWaalsContact O-N 3.16Å |
| 345 | V | 93.1 | Very high | 92.3 | Very high | 6 Ų | 6 | 80.7 Ų | 80.7 | 4% | 0.036 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -58.6 | -33.3 | 177.6 | 174.7 | 0 | 0 | 0 | 0 | 110.6 | R46 A47 R111 K341 L342 K343 | R46-V345 VanDerWaalsContact C-CG2 3.5Å; R46-V345 WeakPolarHBondContact O-CG2 3.39Å; A47-V345 HydrophobicContact CB-CB 4.44Å; A47-V345 HydrophobicContact CB-CG2 3.76Å; A47-V345 VanDerWaalsContact CB-N 3.28Å; R111-V345 HydrophobicContact CB-CG1 3.7Å; R111-V345 HydrophobicContact CG-CG1 3.83Å; R111-V345 PolarHBondContact NE-O 3.46Å; R111-V345 PolarHBondContact NH2-O 2.95Å; K341-V345 HydrophobicContact CG-CB 4.37Å; K341-V345 HydrophobicContact CG-CG2 4.24Å; L342-V345 HydrophobicContact CB-CG2 4.16Å; L342-V345 VanDerWaalsContact O-CB 3.29Å; L342-V345 WeakPolarHBondContact O-CB 3.41Å; L342-V345 WeakPolarHBondContact O-CG2 3.48Å; L342-V345 PolarHBondContact O-N 3.45Å; L342-V345 VanDerWaalsContact O-N 3.09Å; K343-V345 PolarHBondContact O-N 2.87Å |
| 346 | D | 90.7 | Very high | 92.6 | Very high | 100 Ų | 100 | 74.7 Ų | 74.7 | 54% | 0.535 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -89.9 | -6.2 | -175.7 | -63.7 | -41.7 | 0 | 0 | 0 | 113.3 | R111 K341 K343 G344 | R111-D346 VanDerWaalsContact NH2-C 3.28Å; R111-D346 VanDerWaalsContact NH2-CA 3.31Å; R111-D346 PolarHBondContact NH2-O 3.39Å; K341-D346 IonicContact NZ-OD1 3.35Å; K341-D346 PolarHBondContact NZ-OD1 2.81Å; K341-D346 IonicContact NZ-OD2 3.22Å; K341-D346 PolarHBondContact NZ-OD2 2.97Å; K343-D346 PolarHBondContact O-N 2.95Å; G344-D346 PolarHBondContact O-N 3.09Å |
| 347 | F | 92.5 | Very high | 92.9 | Very high | 103 Ų | 103 | 78.6 Ų | 78.6 | 45% | 0.452 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -84 | 154.8 | -179.6 | -62.5 | -7.7 | 0 | 0 | 0 | 112.3 | G344 T351 | G344-F347 PolarHBondContact O-N 3.22Å; G344-F347 VanDerWaalsContact O-N 3.16Å; F347-T351 HydrophobicContact CD2-CG2 4.17Å; F347-T351 HydrophobicContact CG-CG2 4.36Å |
| 348 | C | 91.1 | Very high | 93.4 | Very high | 76 Ų | 76 | 82.2 Ų | 82.2 | 51% | 0.514 | 42% | 0.42 | S | S | . | . | trans | -81.2 | 162.2 | 162.5 | 71.6 | 0 | 0 | 0 | 0 | 109.4 | F350 T351 Y352 | C348-F350 PolarHBondContact O-N 3.48Å; C348-F350 VanDerWaalsContact O-N 3.13Å; C348-T351 PolarHBondContact O-N 3.13Å; C348-Y352 VanDerWaalsContact O-CB 3.32Å; C348-Y352 WeakPolarHBondContact O-CB 3.42Å; C348-Y352 PolarHBondContact O-N 2.8Å | ||
| 349 | N | 88.7 | Confident | 93.8 | Very high | 118 Ų | 118 | 81.2 Ų | 81.2 | 63% | 0.631 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -59.6 | -28.2 | -178.5 | -72.4 | 2.2 | 0 | 0 | 0 | 113.4 | F353 | N349-F353 HydrophobicContact CB-CD2 4.32Å; N349-F353 WeakPolarHBondContact O-CD2 3.38Å; N349-F353 PolarHBondContact O-N 2.86Å |
| 350 | F | 93.2 | Very high | 94.1 | Very high | 100 Ų | 100 | 76.3 Ų | 76.3 | 44% | 0.439 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64 | -46.5 | -179.8 | -164.6 | -113 | 0 | 0 | 0 | 111.4 | C348 I355 D356 V359 | C348-F350 PolarHBondContact O-N 3.48Å; C348-F350 VanDerWaalsContact O-N 3.13Å; F350-I355 HydrophobicContact CD2-CB 3.66Å; F350-I355 HydrophobicContact CD2-CG2 3.61Å; F350-I355 HydrophobicContact CE2-CB 3.85Å; F350-I355 HydrophobicContact CE2-CG2 3.36Å; F350-I355 HydrophobicContact CG-CB 4.29Å; F350-I355 HydrophobicContact CZ-CG2 4.27Å; F350-I355 WeakPolarHBondContact O-CB 3.31Å; F350-I355 PolarHBondContact O-N 3.25Å; F350-D356 HydrophobicContact CD1-CB 3.59Å; F350-D356 HydrophobicContact CE1-CB 3.36Å; F350-D356 HydrophobicContact CZ-CB 4.21Å; F350-D356 PolarHBondContact O-N 3.22Å; F350-V359 HydrophobicContact CZ-CG2 4.44Å |
| 351 | T | 95.6 | Very high | 94.3 | Very high | 50 Ų | 50 | 80 Ų | 80 | 31% | 0.307 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -80.8 | -34.3 | 175.6 | -55.1 | 0 | 0 | 0 | 0 | 112.7 | F347 C348 F353 D354 D356 | F347-T351 HydrophobicContact CD2-CG2 4.17Å; F347-T351 HydrophobicContact CG-CG2 4.36Å; C348-T351 PolarHBondContact O-N 3.13Å; T351-F353 VanDerWaalsContact C-N 3.25Å; T351-F353 PolarHBondContact O-N 3.16Å; T351-D354 PolarHBondContact O-N 3.29Å; T351-D354 VanDerWaalsContact O-N 3.16Å; T351-D356 VanDerWaalsContact CA-OD2 3.31Å; T351-D356 WeakPolarHBondContact CA-OD2 3.32Å; T351-D356 WeakPolarHBondContact CB-OD2 3.37Å; T351-D356 PolarHBondContact OG1-OD2 3.09Å |
| 352 | Y | 94.2 | Very high | 94.5 | Very high | 63 Ų | 63 | 79.5 Ų | 79.5 | 25% | 0.247 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.7 | -32 | -179.6 | -179.9 | -101.7 | 0 | 0 | 0 | 113.4 | A47 N49 C348 | A47-Y352 HydrophobicContact CB-CE2 3.74Å; A47-Y352 PolarHBondContact O-OH 3.47Å; N49-Y352 HydrophobicContact CB-CE1 4.33Å; C348-Y352 VanDerWaalsContact O-CB 3.32Å; C348-Y352 WeakPolarHBondContact O-CB 3.42Å; C348-Y352 PolarHBondContact O-N 2.8Å |
| 353 | F | 93.9 | Very high | 94.7 | Very high | 94 Ų | 94 | 78.9 Ų | 78.9 | 41% | 0.412 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 14.5 | 177.3 | -67.3 | -64.4 | 0 | 0 | 0 | 113 | N349 T351 I355 | N349-F353 HydrophobicContact CB-CD2 4.32Å; N349-F353 WeakPolarHBondContact O-CD2 3.38Å; N349-F353 PolarHBondContact O-N 2.86Å; T351-F353 VanDerWaalsContact C-N 3.25Å; T351-F353 PolarHBondContact O-N 3.16Å; F353-I355 HydrophobicContact CB-CD1 4.21Å; F353-I355 HydrophobicContact CB-CG1 3.93Å; F353-I355 PolarHBondContact O-N 2.84Å; F353-I355 VanDerWaalsContact O-N 3.09Å |
| 354 | D | 95.6 | Very high | 95 | Very high | 88 Ų | 88 | 75.1 Ų | 75.1 | 47% | 0.471 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 29.4 | -179.8 | -60 | -43.8 | 0 | 0 | 0 | 113.7 | T351 D356 L357 V358 | T351-D354 PolarHBondContact O-N 3.29Å; T351-D354 VanDerWaalsContact O-N 3.16Å; D354-D356 VanDerWaalsContact C-N 3.29Å; D354-D356 WeakPolarHBondContact CA-OD1 3.44Å; D354-D356 PolarHBondContact O-N 2.94Å; D354-L357 HydrophobicContact CB-CB 4.23Å; D354-L357 HydrophobicContact CB-CD1 4.06Å; D354-L357 HydrophobicContact CB-CG 4.46Å; D354-L357 PolarHBondContact O-N 2.92Å; D354-V358 WeakPolarHBondContact O-CG2 3.24Å; D354-V358 PolarHBondContact O-N 3.48Å |
| 355 | I | 96.3 | Very high | 95.2 | Very high | 75 Ų | 75 | 80.7 Ų | 80.7 | 39% | 0.385 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.7 | -35.6 | 179.3 | -55.7 | 176.9 | 0 | 0 | 0 | 109.6 | F350 F353 L357 V358 V359 | F350-I355 HydrophobicContact CD2-CB 3.66Å; F350-I355 HydrophobicContact CD2-CG2 3.61Å; F350-I355 HydrophobicContact CE2-CB 3.85Å; F350-I355 HydrophobicContact CE2-CG2 3.36Å; F350-I355 HydrophobicContact CG-CB 4.29Å; F350-I355 HydrophobicContact CZ-CG2 4.27Å; F350-I355 WeakPolarHBondContact O-CB 3.31Å; F350-I355 PolarHBondContact O-N 3.25Å; F353-I355 HydrophobicContact CB-CD1 4.21Å; F353-I355 HydrophobicContact CB-CG1 3.93Å; F353-I355 PolarHBondContact O-N 2.84Å; F353-I355 VanDerWaalsContact O-N 3.09Å; I355-L357 VanDerWaalsContact C-N 3.32Å; I355-L357 PolarHBondContact O-N 2.9Å; I355-V358 PolarHBondContact O-N 3.18Å; I355-V359 HydrophobicContact CG2-CG2 4.3Å; I355-V359 WeakPolarHBondContact O-CB 3.43Å; I355-V359 VanDerWaalsContact O-CG2 3.24Å; I355-V359 WeakPolarHBondContact O-CG2 3.39Å; I355-V359 PolarHBondContact O-N 3.49Å |
| 356 | D | 96.1 | Very high | 95.4 | Very high | 46 Ų | 46 | 86.8 Ų | 86.8 | 25% | 0.246 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -53.3 | -48.9 | 168.6 | 38 | 15.7 | 0 | 0 | 0 | 111.9 | F350 T351 D354 A360 | F350-D356 HydrophobicContact CD1-CB 3.59Å; F350-D356 HydrophobicContact CE1-CB 3.36Å; F350-D356 HydrophobicContact CZ-CB 4.21Å; F350-D356 PolarHBondContact O-N 3.22Å; T351-D356 VanDerWaalsContact CA-OD2 3.31Å; T351-D356 WeakPolarHBondContact CA-OD2 3.32Å; T351-D356 WeakPolarHBondContact CB-OD2 3.37Å; T351-D356 PolarHBondContact OG1-OD2 3.09Å; D354-D356 VanDerWaalsContact C-N 3.29Å; D354-D356 WeakPolarHBondContact CA-OD1 3.44Å; D354-D356 PolarHBondContact O-N 2.94Å; D356-A360 WeakPolarHBondContact O-CB 3.35Å; D356-A360 PolarHBondContact O-N 3.38Å |
| 357 | L | 96.9 | Very high | 95.7 | Very high | 99 Ų | 99 | 87 Ų | 87 | 52% | 0.518 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.5 | -44 | 178.8 | -66 | 178 | 0 | 0 | 0 | 112.1 | D354 I355 V359 A360 L361 | D354-L357 HydrophobicContact CB-CB 4.23Å; D354-L357 HydrophobicContact CB-CD1 4.06Å; D354-L357 HydrophobicContact CB-CG 4.46Å; D354-L357 PolarHBondContact O-N 2.92Å; I355-L357 VanDerWaalsContact C-N 3.32Å; I355-L357 PolarHBondContact O-N 2.9Å; L357-V359 VanDerWaalsContact C-N 3.34Å; L357-V359 PolarHBondContact O-N 3.27Å; L357-A360 PolarHBondContact O-N 3.44Å; L357-L361 WeakPolarHBondContact O-CB 3.46Å; L357-L361 WeakPolarHBondContact O-CG 3.42Å; L357-L361 PolarHBondContact O-N 3.02Å |
| 358 | V | 97.5 | Very high | 95.9 | Very high | 87 Ų | 87 | 86.7 Ų | 86.7 | 53% | 0.527 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 178.4 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | D354 I355 S362 | D354-V358 WeakPolarHBondContact O-CG2 3.24Å; D354-V358 PolarHBondContact O-N 3.48Å; I355-V358 PolarHBondContact O-N 3.18Å; V358-S362 VanDerWaalsContact O-CB 3.29Å; V358-S362 WeakPolarHBondContact O-CB 3.47Å; V358-S362 PolarHBondContact O-N 3.01Å; V358-S362 PolarHBondContact O-OG 3.41Å |
| 359 | V | 97 | Very high | 96.2 | Very high | 81 Ų | 81 | 85.3 Ų | 85.3 | 49% | 0.491 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 176.3 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | F350 I355 L357 S362 A363 | F350-V359 HydrophobicContact CZ-CG2 4.44Å; I355-V359 HydrophobicContact CG2-CG2 4.3Å; I355-V359 WeakPolarHBondContact O-CB 3.43Å; I355-V359 VanDerWaalsContact O-CG2 3.24Å; I355-V359 WeakPolarHBondContact O-CG2 3.39Å; I355-V359 PolarHBondContact O-N 3.49Å; L357-V359 VanDerWaalsContact C-N 3.34Å; L357-V359 PolarHBondContact O-N 3.27Å; V359-S362 PolarHBondContact O-N 3.41Å; V359-A363 WeakPolarHBondContact O-CB 3.29Å; V359-A363 PolarHBondContact O-N 2.7Å |
| 360 | A | 97.7 | Very high | 96.5 | Very high | 59 Ų | 59 | 84.3 Ų | 84.3 | 49% | 0.488 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | D356 L357 A363 L364 | D356-A360 WeakPolarHBondContact O-CB 3.35Å; D356-A360 PolarHBondContact O-N 3.38Å; L357-A360 PolarHBondContact O-N 3.44Å; A360-A363 PolarHBondContact O-N 2.97Å; A360-L364 PolarHBondContact O-N 3.38Å |
| 361 | L | 97.8 | Very high | 96.6 | Very high | 116 Ų | 116 | 83.6 Ų | 83.6 | 61% | 0.607 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -67.5 | -37.6 | 177.6 | -70 | 175.6 | 0 | 0 | 0 | 112.2 | L357 L364 F365 | L357-L361 WeakPolarHBondContact O-CB 3.46Å; L357-L361 WeakPolarHBondContact O-CG 3.42Å; L357-L361 PolarHBondContact O-N 3.02Å; L361-L364 PolarHBondContact O-N 2.95Å; L361-F365 WeakPolarHBondContact O-CB 3.37Å; L361-F365 PolarHBondContact O-N 2.93Å |
| 362 | S | 97.7 | Very high | 96.6 | Very high | 52 Ų | 52 | 86.6 Ų | 86.6 | 36% | 0.364 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 175.3 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | V358 V359 L364 F365 F366 | V358-S362 VanDerWaalsContact O-CB 3.29Å; V358-S362 WeakPolarHBondContact O-CB 3.47Å; V358-S362 PolarHBondContact O-N 3.01Å; V358-S362 PolarHBondContact O-OG 3.41Å; V359-S362 PolarHBondContact O-N 3.41Å; S362-L364 PolarHBondContact O-N 2.98Å; S362-F365 WeakPolarHBondContact O-CB 3.04Å; S362-F365 PolarHBondContact O-N 3Å; S362-F366 WeakPolarHBondContact O-CD2 3.43Å; S362-F366 PolarHBondContact O-N 3.35Å |
| 363 | A | 97.6 | Very high | 96.6 | Very high | 51 Ų | 51 | 89.7 Ų | 89.7 | 42% | 0.421 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V359 A360 F365 F366 L367 | V359-A363 WeakPolarHBondContact O-CB 3.29Å; V359-A363 PolarHBondContact O-N 2.7Å; A360-A363 PolarHBondContact O-N 2.97Å; A363-F365 VanDerWaalsContact C-N 3.35Å; A363-F365 PolarHBondContact O-N 3.49Å; A363-F366 PolarHBondContact O-N 2.97Å; A363-L367 WeakPolarHBondContact O-CG 3.5Å; A363-L367 PolarHBondContact O-N 3.48Å |
| 364 | L | 97.8 | Very high | 96.6 | Very high | 97 Ų | 97 | 91.7 Ų | 91.7 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 174.9 | -179.4 | 62.9 | 0 | 0 | 0 | 111.8 | A360 L361 S362 L367 L368 | A360-L364 PolarHBondContact O-N 3.38Å; L361-L364 PolarHBondContact O-N 2.95Å; S362-L364 PolarHBondContact O-N 2.98Å; L364-L367 PolarHBondContact O-N 3.38Å; L364-L368 HydrophobicContact CG-CD1 4.23Å; L364-L368 WeakPolarHBondContact O-CG 3.34Å; L364-L368 PolarHBondContact O-N 3.49Å |
| 365 | F | 97.7 | Very high | 96.4 | Very high | 134 Ų | 134 | 91 Ų | 91 | 59% | 0.588 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.1 | -45.7 | 176.2 | 178 | -99.8 | 0 | 0 | 0 | 112 | L361 S362 A363 L367 L368 V369 | L361-F365 WeakPolarHBondContact O-CB 3.37Å; L361-F365 PolarHBondContact O-N 2.93Å; S362-F365 WeakPolarHBondContact O-CB 3.04Å; S362-F365 PolarHBondContact O-N 3Å; A363-F365 VanDerWaalsContact C-N 3.35Å; A363-F365 PolarHBondContact O-N 3.49Å; F365-L367 PolarHBondContact O-N 3.25Å; F365-L368 PolarHBondContact O-N 2.98Å; F365-V369 HydrophobicContact CD1-CG2 4.35Å; F365-V369 HydrophobicContact CE1-CG2 3.95Å; F365-V369 HydrophobicContact CE2-CG2 4.27Å; F365-V369 HydrophobicContact CZ-CG2 3.9Å; F365-V369 WeakPolarHBondContact O-CG2 3.28Å; F365-V369 PolarHBondContact O-N 3.39Å |
| 366 | F | 97.3 | Very high | 96.1 | Very high | 134 Ų | 134 | 91.6 Ų | 91.6 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.5 | -43.7 | 176.2 | -77.3 | -66.8 | 0 | 0 | 0 | 112.4 | S362 A363 L368 V369 E370 | S362-F366 WeakPolarHBondContact O-CD2 3.43Å; S362-F366 PolarHBondContact O-N 3.35Å; A363-F366 PolarHBondContact O-N 2.97Å; F366-L368 VanDerWaalsContact C-N 3.34Å; F366-L368 PolarHBondContact O-N 3.26Å; F366-V369 PolarHBondContact O-N 3.48Å; F366-E370 PolarHBondContact O-N 2.9Å |
| 367 | L | 97.2 | Very high | 95.7 | Very high | 103 Ų | 103 | 93.1 Ų | 93.1 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 176 | -72 | 171.4 | 0 | 0 | 0 | 112.1 | A363 L364 F365 E370 V371 | A363-L367 WeakPolarHBondContact O-CG 3.5Å; A363-L367 PolarHBondContact O-N 3.48Å; L364-L367 PolarHBondContact O-N 3.38Å; F365-L367 PolarHBondContact O-N 3.25Å; L367-E370 PolarHBondContact O-N 3.45Å; L367-V371 VanDerWaalsContact O-CG2 3.3Å; L367-V371 WeakPolarHBondContact O-CG2 3.37Å; L367-V371 PolarHBondContact O-N 3.29Å |
| 368 | L | 97 | Very high | 94.7 | Very high | 98 Ų | 98 | 95.3 Ų | 95.3 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 175.9 | -73.4 | 170 | 0 | 0 | 0 | 111.9 | L364 F365 F366 V371 L372 | L364-L368 HydrophobicContact CG-CD1 4.23Å; L364-L368 WeakPolarHBondContact O-CG 3.34Å; L364-L368 PolarHBondContact O-N 3.49Å; F365-L368 PolarHBondContact O-N 2.98Å; F366-L368 VanDerWaalsContact C-N 3.34Å; F366-L368 PolarHBondContact O-N 3.26Å; L368-V371 PolarHBondContact O-N 3.33Å; L368-L372 WeakPolarHBondContact O-CB 3.37Å; L368-L372 VanDerWaalsContact O-CG 3.28Å; L368-L372 WeakPolarHBondContact O-CG 3.3Å; L368-L372 PolarHBondContact O-N 2.99Å |
| 369 | V | 96.9 | Very high | 93 | Very high | 46 Ų | 46 | 101.7 Ų | 101.7 | 28% | 0.279 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.7 | -45 | 175.7 | 171.2 | 0 | 0 | 0 | 0 | 111 | F365 F366 V371 L372 Q373 | F365-V369 HydrophobicContact CD1-CG2 4.35Å; F365-V369 HydrophobicContact CE1-CG2 3.95Å; F365-V369 HydrophobicContact CE2-CG2 4.27Å; F365-V369 HydrophobicContact CZ-CG2 3.9Å; F365-V369 WeakPolarHBondContact O-CG2 3.28Å; F365-V369 PolarHBondContact O-N 3.39Å; F366-V369 PolarHBondContact O-N 3.48Å; V369-V371 PolarHBondContact O-N 2.91Å; V369-L372 PolarHBondContact O-N 3.38Å; V369-Q373 HydrophobicContact CG1-CG 4.36Å; V369-Q373 WeakPolarHBondContact O-CB 3.42Å; V369-Q373 VanDerWaalsContact O-CG 3.29Å; V369-Q373 WeakPolarHBondContact O-CG 3.29Å; V369-Q373 PolarHBondContact O-N 2.94Å |
| 370 | E | 95.8 | Very high | 92.8 | Very high | 98 Ų | 98 | 102.8 Ų | 102.8 | 46% | 0.458 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.4 | -41.3 | 177.2 | -76.1 | -173.6 | -175.1 | 0 | 0 | 112.7 | F366 L367 Q373 K374 | F366-E370 PolarHBondContact O-N 2.9Å; L367-E370 PolarHBondContact O-N 3.45Å; E370-Q373 PolarHBondContact O-N 3.36Å; E370-K374 WeakPolarHBondContact O-CB 3.47Å; E370-K374 WeakPolarHBondContact O-CG 3.38Å; E370-K374 PolarHBondContact O-N 2.96Å |
| 371 | V | 95.6 | Very high | 92.6 | Very high | 84 Ų | 84 | 105.1 Ų | 105.1 | 51% | 0.509 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.9 | -46.7 | 176.6 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | L367 L368 V369 Q373 K374 C375 | L367-V371 VanDerWaalsContact O-CG2 3.3Å; L367-V371 WeakPolarHBondContact O-CG2 3.37Å; L367-V371 PolarHBondContact O-N 3.29Å; L368-V371 PolarHBondContact O-N 3.33Å; V369-V371 PolarHBondContact O-N 2.91Å; V371-Q373 PolarHBondContact O-N 3.27Å; V371-K374 PolarHBondContact O-N 3.46Å; V371-C375 PolarHBondContact O-N 3.29Å; V371-C375 PolarHBondContact O-SG 3.5Å; V371-C375 VanDerWaalsContact O-SG 3.33Å |
| 372 | L | 95.2 | Very high | 92.3 | Very high | 114 Ų | 114 | 104.4 Ų | 104.4 | 60% | 0.597 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.6 | -42.6 | 177.4 | -71 | 171.4 | 0 | 0 | 0 | 111.8 | L368 V369 K374 C375 C376 | L368-L372 WeakPolarHBondContact O-CB 3.37Å; L368-L372 VanDerWaalsContact O-CG 3.28Å; L368-L372 WeakPolarHBondContact O-CG 3.3Å; L368-L372 PolarHBondContact O-N 2.99Å; V369-L372 PolarHBondContact O-N 3.38Å; L372-K374 PolarHBondContact O-N 2.93Å; L372-C375 PolarHBondContact O-N 3.39Å; L372-C376 PolarHBondContact O-N 2.98Å; L372-C376 PolarHBondContact O-SG 3.46Å; L372-C376 VanDerWaalsContact O-SG 3.39Å |
| 373 | Q | 94.6 | Very high | 92 | Very high | 127 Ų | 127 | 107.5 Ų | 107.5 | 59% | 0.593 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.8 | -42.6 | 175.8 | -75.9 | 177 | -19.2 | 0 | 0 | 112.2 | V369 E370 V371 C376 A377 | V369-Q373 HydrophobicContact CG1-CG 4.36Å; V369-Q373 WeakPolarHBondContact O-CB 3.42Å; V369-Q373 VanDerWaalsContact O-CG 3.29Å; V369-Q373 WeakPolarHBondContact O-CG 3.29Å; V369-Q373 PolarHBondContact O-N 2.94Å; E370-Q373 PolarHBondContact O-N 3.36Å; V371-Q373 PolarHBondContact O-N 3.27Å; Q373-C376 PolarHBondContact O-N 3.25Å; Q373-A377 WeakPolarHBondContact O-CB 3.5Å; Q373-A377 PolarHBondContact O-N 3.46Å |
| 374 | K | 93.5 | Very high | 91.6 | Very high | 137 Ų | 137 | 111.1 Ų | 111.1 | 60% | 0.596 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.1 | -37.8 | 175.3 | -74.8 | 174.1 | -179 | 169.6 | 0 | 112.4 | E370 V371 L372 A377 N378 | E370-K374 WeakPolarHBondContact O-CB 3.47Å; E370-K374 WeakPolarHBondContact O-CG 3.38Å; E370-K374 PolarHBondContact O-N 2.96Å; V371-K374 PolarHBondContact O-N 3.46Å; L372-K374 PolarHBondContact O-N 2.93Å; K374-A377 PolarHBondContact O-N 3.48Å; K374-N378 PolarHBondContact O-N 2.96Å; K374-N378 PolarHBondContact O-ND2 3.4Å |
| 375 | C | 91.9 | Very high | 91.2 | Very high | 73 Ų | 73 | 112 Ų | 112 | 49% | 0.493 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.7 | -41.3 | 174.9 | -71.9 | 0 | 0 | 0 | 0 | 112 | V371 L372 N378 | V371-C375 PolarHBondContact O-N 3.29Å; V371-C375 PolarHBondContact O-SG 3.5Å; V371-C375 VanDerWaalsContact O-SG 3.33Å; L372-C375 PolarHBondContact O-N 3.39Å; C375-N378 PolarHBondContact O-N 3.48Å |
| 376 | C | 89.4 | Confident | 90.7 | Very high | 87 Ų | 87 | 110.4 Ų | 110.4 | 59% | 0.588 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70.8 | -29.9 | 176.1 | -69.1 | 0 | 0 | 0 | 0 | 113.4 | L372 Q373 N378 | L372-C376 PolarHBondContact O-N 2.98Å; L372-C376 PolarHBondContact O-SG 3.46Å; L372-C376 VanDerWaalsContact O-SG 3.39Å; Q373-C376 PolarHBondContact O-N 3.25Å; C376-N378 VanDerWaalsContact C-N 3.32Å |
| 377 | A | 86.9 | Confident | 90.2 | Very high | 78 Ų | 78 | 108.6 Ų | 108.6 | 65% | 0.645 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -77 | -17.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q373 K374 | Q373-A377 WeakPolarHBondContact O-CB 3.5Å; Q373-A377 PolarHBondContact O-N 3.46Å; K374-A377 PolarHBondContact O-N 3.48Å |
| 378 | N | 76.2 | Confident | 89.6 | Confident | 146 Ų | 146 | 109.1 Ų | 109.1 | 78% | 0.781 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 0.6 | 177.3 | -75 | -15.4 | 0 | 0 | 0 | 113.3 | K374 C375 C376 | K374-N378 PolarHBondContact O-N 2.96Å; K374-N378 PolarHBondContact O-ND2 3.4Å; C375-N378 PolarHBondContact O-N 3.48Å; C376-N378 VanDerWaalsContact C-N 3.32Å |
| 379 | Q | 63 | Low | 89 | Confident | 221 Ų | 221 | 110.1 Ų | 110.1 | 100% | 1.033 | 60% | 0.597 | S | S | * | * | trans | -95.8 | 0 | 166.6 | -73.2 | -176.8 | -6.5 | 0 | 0 | 109 |
Retrieved 379 of 379 residues in 333.5 ms
(Link to these results)