| 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 | 60.3 | Low | 81.9 | Confident | 83 Ų | 83 | 62.5 Ų | 62.5 | 41% | 0.409 | 32% | 0.316 | S | S | . | . | 0 | 136.2 | 0 | -176.1 | 154.5 | 49 | 0 | 0 | 106.5 | D5 F39 K91 V92 L93 | M1-D5 HydrophobicContact CG-CB 3.2Å; M1-D5 HydrophobicContact SD-CB 3.75Å; M1-F39 HydrophobicContact CE-CE1 4.29Å; M1-F39 HydrophobicContact CE-CE2 4.2Å; M1-F39 HydrophobicContact CE-CZ 3.5Å; M1-F39 VanDerWaalsContact CE-CZ 3.5Å; M1-F39 HydrophobicContact SD-CE1 4.26Å; M1-F39 HydrophobicContact SD-CZ 3.63Å; M1-K91 WeakPolarHBondContact CE-O 3.13Å; M1-V92 WeakPolarHBondContact CE-O 3.22Å; M1-L93 HydrophobicContact CB-CD1 4.24Å; M1-L93 HydrophobicContact CE-CD1 3.94Å; M1-L93 HydrophobicContact CE-CG 3.82Å | |||
| 2 | E | 75.2 | Confident | 82.7 | Confident | 130 Ų | 130 | 63.4 Ų | 63.4 | 61% | 0.607 | 32% | 0.318 | S | S | * | . | trans | -74.2 | 158.1 | -175 | -65.7 | -166 | 176.1 | 0 | 0 | 112.1 | N4 D5 C6 | E2-N4 PolarHBondContact O-N 3.39Å; E2-D5 PolarHBondContact N-OD2 2.9Å; E2-D5 PolarHBondContact O-N 3.2Å; E2-C6 VanDerWaalsContact O-CB 3.28Å; E2-C6 WeakPolarHBondContact O-CB 3.25Å; E2-C6 PolarHBondContact O-N 2.72Å; E2-C6 PolarHBondContact O-SG 3.23Å | ||
| 3 | D | 78.2 | Confident | 83.4 | Confident | 91 Ų | 91 | 61 Ų | 61 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -12.9 | 171.7 | -81.7 | 4.7 | 0 | 0 | 0 | 113.7 | V7 R287 L291 | D3-V7 VanDerWaalsContact O-CB 3.23Å; D3-V7 WeakPolarHBondContact O-CB 3.44Å; D3-V7 WeakPolarHBondContact O-CG2 3.29Å; D3-V7 PolarHBondContact O-N 3.41Å; D3-R287 PolarHBondContact O-NH2 2.97Å; D3-L291 HydrophobicContact CB-CD1 3.99Å; D3-L291 HydrophobicContact CB-CD2 4.18Å |
| 4 | N | 76.4 | Confident | 83.7 | Confident | 95 Ų | 95 | 63.8 Ų | 63.8 | 51% | 0.508 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -34.3 | 170.5 | -70.7 | -44.7 | 0 | 0 | 0 | 113 | E2 C6 V7 A8 R287 | E2-N4 PolarHBondContact O-N 3.39Å; N4-C6 VanDerWaalsContact C-N 3.33Å; N4-V7 CarbonylContact O-C 3.59Å; N4-V7 WeakPolarHBondContact O-CA 3.45Å; N4-V7 PolarHBondContact O-N 2.87Å; N4-V7 VanDerWaalsContact O-N 3.08Å; N4-A8 WeakPolarHBondContact O-CB 3.17Å; N4-A8 PolarHBondContact O-N 3.43Å; N4-R287 PolarHBondContact OD1-NH2 3.09Å |
| 5 | D | 84.2 | Confident | 84.1 | Confident | 74 Ų | 74 | 67.9 Ų | 67.9 | 40% | 0.396 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -37.1 | 169.7 | -60.4 | -39.5 | 0 | 0 | 0 | 111 | M1 E2 V7 A8 | M1-D5 HydrophobicContact CG-CB 3.2Å; M1-D5 HydrophobicContact SD-CB 3.75Å; E2-D5 PolarHBondContact N-OD2 2.9Å; E2-D5 PolarHBondContact O-N 3.2Å; D5-V7 PolarHBondContact O-N 3.29Å; D5-A8 VanDerWaalsContact O-CB 3.29Å; D5-A8 WeakPolarHBondContact O-CB 3.44Å; D5-A8 PolarHBondContact O-N 3.04Å; D5-A8 VanDerWaalsContact O-N 3.11Å |
| 6 | C | 83.7 | Confident | 84.6 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -4.4 | 168.6 | -69.2 | 0 | 0 | 0 | 0 | 113 | E2 N4 G90 K91 Y290 L291 I294 | E2-C6 VanDerWaalsContact O-CB 3.28Å; E2-C6 WeakPolarHBondContact O-CB 3.25Å; E2-C6 PolarHBondContact O-N 2.72Å; E2-C6 PolarHBondContact O-SG 3.23Å; N4-C6 VanDerWaalsContact C-N 3.33Å; C6-G90 CarbonylContact C-O 3.3Å; C6-G90 CarbonylContact O-C 3.4Å; C6-K91 VanDerWaalsContact CA-C 3.48Å; C6-K91 WeakPolarHBondContact CA-O 3.29Å; C6-K91 PolarHBondContact O-N 2.65Å; C6-Y290 WeakPolarHBondContact O-CE1 3.04Å; C6-L291 HydrophobicContact CB-CD2 4Å; C6-I294 HydrophobicContact CB-CD1 3.89Å |
| 7 | V | 87.3 | Confident | 84.9 | Confident | 24 Ų | 24 | 70.7 Ų | 70.7 | 15% | 0.145 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | 40.3 | 165.1 | -172.8 | 0 | 0 | 0 | 0 | 108.9 | D3 N4 D5 D89 G90 R287 L291 | D3-V7 VanDerWaalsContact O-CB 3.23Å; D3-V7 WeakPolarHBondContact O-CB 3.44Å; D3-V7 WeakPolarHBondContact O-CG2 3.29Å; D3-V7 PolarHBondContact O-N 3.41Å; N4-V7 CarbonylContact O-C 3.59Å; N4-V7 WeakPolarHBondContact O-CA 3.45Å; N4-V7 PolarHBondContact O-N 2.87Å; N4-V7 VanDerWaalsContact O-N 3.08Å; D5-V7 PolarHBondContact O-N 3.29Å; V7-D89 CarbonylContact C-O 3.48Å; V7-D89 VanDerWaalsContact C-O 3.27Å; V7-D89 WeakPolarHBondContact CA-O 3.37Å; V7-D89 WeakPolarHBondContact CG1-O 3.26Å; V7-D89 CarbonylContact O-C 2.9Å; V7-D89 VanDerWaalsContact O-CB 3.31Å; V7-D89 WeakPolarHBondContact O-CB 3.49Å; V7-G90 VanDerWaalsContact CA-CA 3.43Å; V7-G90 PolarHBondContact N-O 3.08Å; V7-R287 HydrophobicContact CG1-CG 4.23Å; V7-R287 HydrophobicContact CG2-CG 3.9Å; V7-L291 HydrophobicContact CG2-CD1 4.19Å; V7-L291 HydrophobicContact CG2-CD2 3.86Å; V7-L291 HydrophobicContact CG2-CG 4.08Å |
| 8 | A | 89.1 | Confident | 85.2 | Confident | 22 Ų | 22 | 67.6 Ų | 67.6 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -120.1 | -65.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114 | N4 D5 F10 Q12 D89 G90 | N4-A8 WeakPolarHBondContact O-CB 3.17Å; N4-A8 PolarHBondContact O-N 3.43Å; D5-A8 VanDerWaalsContact O-CB 3.29Å; D5-A8 WeakPolarHBondContact O-CB 3.44Å; D5-A8 PolarHBondContact O-N 3.04Å; D5-A8 VanDerWaalsContact O-N 3.11Å; A8-F10 PolarHBondContact O-N 2.84Å; A8-Q12 WeakPolarHBondContact O-CG 3.31Å; A8-D89 VanDerWaalsContact C-OD2 3.32Å; A8-D89 VanDerWaalsContact CA-CB 3.47Å; A8-D89 VanDerWaalsContact CA-OD2 3.27Å; A8-D89 WeakPolarHBondContact CA-OD2 3.38Å; A8-D89 CarbonylContact O-C 3.47Å; A8-D89 VanDerWaalsContact O-C 3.3Å; A8-D89 WeakPolarHBondContact O-CA 3.43Å; A8-D89 WeakPolarHBondContact O-CB 3.1Å; A8-G90 CarbonylContact C-O 3.07Å; A8-G90 VanDerWaalsContact C-O 3.24Å; A8-G90 VanDerWaalsContact CA-N 3.32Å; A8-G90 WeakPolarHBondContact CA-O 3.41Å; A8-G90 PolarHBondContact N-O 3.36Å; A8-G90 PolarHBondContact O-N 3Å |
| 9 | R | 89 | Confident | 85.2 | Confident | 49 Ų | 49 | 65.8 Ų | 65.8 | 19% | 0.185 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.5 | -30.9 | -174.5 | -61.5 | 167.8 | -179.9 | -81.4 | 3.8 | 119.6 | Q12 Y13 F31 D38 G90 K91 | R9-Q12 WeakPolarHBondContact O-CB 3.34Å; R9-Y13 PolarHBondContact O-N 2.84Å; R9-F31 HydrophobicContact CB-CZ 4.13Å; R9-F31 WeakPolarHBondContact O-CZ 3.23Å; R9-D38 IonicContact CZ-OD2 2.74Å; R9-D38 IonicContact NH1-OD2 2.69Å; R9-D38 PolarHBondContact NH1-OD2 2.97Å; R9-D38 IonicContact NH2-OD2 3.49Å; R9-D38 PolarHBondContact NH2-OD2 3.26Å; R9-G90 WeakPolarHBondContact CA-O 3.27Å; R9-G90 PolarHBondContact N-O 2.77Å; R9-K91 HydrophobicContact CB-CB 3.77Å; R9-K91 HydrophobicContact CB-CD 4.35Å; R9-K91 HydrophobicContact CB-CG 4.01Å |
| 10 | F | 88.9 | Confident | 85.3 | Confident | 52 Ų | 52 | 64.2 Ų | 64.2 | 23% | 0.228 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -82 | -43.2 | -172.5 | 144 | -98.4 | 0 | 0 | 0 | 113.7 | A8 Q12 Y13 L14 G90 K91 Y290 | A8-F10 PolarHBondContact O-N 2.84Å; F10-Q12 PolarHBondContact O-N 3.46Å; F10-Y13 CarbonylContact O-C 3.27Å; F10-Y13 WeakPolarHBondContact O-CA 3.44Å; F10-Y13 VanDerWaalsContact O-CB 3.24Å; F10-Y13 WeakPolarHBondContact O-CB 3.2Å; F10-Y13 PolarHBondContact O-N 3.42Å; F10-L14 HydrophobicContact CD1-CD1 4.49Å; F10-L14 HydrophobicContact CD2-CD1 4.49Å; F10-L14 HydrophobicContact CD2-CD2 4.29Å; F10-L14 HydrophobicContact CD2-CG 4.1Å; F10-L14 HydrophobicContact CE1-CD1 4.01Å; F10-L14 HydrophobicContact CE2-CD1 4.02Å; F10-L14 HydrophobicContact CE2-CD2 3.73Å; F10-L14 HydrophobicContact CE2-CG 3.87Å; F10-L14 HydrophobicContact CZ-CD1 3.77Å; F10-L14 HydrophobicContact CZ-CD2 4.2Å; F10-L14 HydrophobicContact CZ-CG 4.16Å; F10-L14 WeakPolarHBondContact O-CG 3.35Å; F10-L14 PolarHBondContact O-N 3.43Å; F10-G90 VanDerWaalsContact N-N 3.13Å; F10-G90 PolarHBondContact N-O 2.74Å; F10-K91 HydrophobicContact CB-CB 4.24Å; F10-K91 HydrophobicContact CB-CD 4.27Å; F10-K91 HydrophobicContact CB-CG 3.27Å; F10-Y290 VanDerWaalsContact CB-OH 3.24Å; F10-Y290 WeakPolarHBondContact CB-OH 3.48Å; F10-Y290 HydrophobicContact CD1-CE1 4.48Å; F10-Y290 AromaticContact CD1-CE2 3.88Å; F10-Y290 HydrophobicContact CD1-CE2 3.88Å; F10-Y290 AromaticContact CD1-CZ 3.82Å; F10-Y290 HydrophobicContact CE1-CD2 4.37Å; F10-Y290 AromaticContact CE1-CE2 3.98Å; F10-Y290 HydrophobicContact CE1-CE2 3.98Å; F10-Y290 HydrophobicContact CG-CE2 4.25Å; F10-Y290 HydrophobicContact CZ-CE2 4.4Å |
| 11 | Q | 88.7 | Confident | 85.3 | Confident | 60 Ų | 60 | 66.3 Ų | 66.3 | 28% | 0.28 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -77.6 | -5.2 | 171.6 | -33.3 | 175.9 | -110.4 | 0 | 0 | 111.8 | L14 R15 F88 D89 | Q11-L14 HydrophobicContact CB-CD1 4.06Å; Q11-L14 HydrophobicContact CG-CD1 4.05Å; Q11-R15 VanDerWaalsContact C-NH1 3.3Å; Q11-R15 WeakPolarHBondContact O-CG 3.34Å; Q11-R15 PolarHBondContact O-NH1 2.77Å; Q11-F88 VanDerWaalsContact CB-C 3.47Å; Q11-F88 WeakPolarHBondContact CB-O 3.32Å; Q11-D89 VanDerWaalsContact CB-N 3.34Å; Q11-D89 WeakPolarHBondContact CG-O 3.3Å; Q11-D89 PolarHBondContact OE1-O 2.76Å |
| 12 | Q | 91.3 | Very high | 86.6 | Confident | 74 Ų | 74 | 69.1 Ų | 69.1 | 35% | 0.346 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -70.3 | -47.3 | 155.9 | -66 | 171.1 | 14.9 | 0 | 0 | 110.9 | A8 R9 F10 L14 R15 F31 D89 | A8-Q12 WeakPolarHBondContact O-CG 3.31Å; R9-Q12 WeakPolarHBondContact O-CB 3.34Å; F10-Q12 PolarHBondContact O-N 3.46Å; Q12-L14 VanDerWaalsContact C-N 3.32Å; Q12-L14 PolarHBondContact O-N 3.31Å; Q12-R15 WeakPolarHBondContact O-CB 3.3Å; Q12-R15 PolarHBondContact O-N 2.89Å; Q12-F31 HydrophobicContact CB-CE2 3.87Å; Q12-F31 HydrophobicContact CB-CZ 4.08Å; Q12-D89 VanDerWaalsContact CG-OD1 3.32Å; Q12-D89 WeakPolarHBondContact CG-OD1 3.19Å; Q12-D89 PolarHBondContact NE2-OD2 3.09Å |
| 13 | Y | 91.9 | Very high | 87.3 | Confident | 32 Ų | 32 | 64.2 Ų | 64.2 | 13% | 0.125 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.8 | -39.6 | 172.9 | -177.7 | -112.7 | 0 | 0 | 0 | 112.7 | R9 F10 R15 I16 A28 F31 L32 K91 | R9-Y13 PolarHBondContact O-N 2.84Å; F10-Y13 CarbonylContact O-C 3.27Å; F10-Y13 WeakPolarHBondContact O-CA 3.44Å; F10-Y13 VanDerWaalsContact O-CB 3.24Å; F10-Y13 WeakPolarHBondContact O-CB 3.2Å; F10-Y13 PolarHBondContact O-N 3.42Å; Y13-R15 PolarHBondContact O-N 2.75Å; Y13-R15 VanDerWaalsContact O-N 3.16Å; Y13-I16 HydrophobicContact CD2-CD1 3.95Å; Y13-I16 VanDerWaalsContact O-CB 3.31Å; Y13-I16 WeakPolarHBondContact O-CB 3.45Å; Y13-I16 WeakPolarHBondContact O-CG1 3.41Å; Y13-I16 PolarHBondContact O-N 2.79Å; Y13-A28 HydrophobicContact CE2-CB 4.16Å; Y13-F31 AromaticContact CD2-CD1 3.7Å; Y13-F31 HydrophobicContact CD2-CD1 3.7Å; Y13-F31 HydrophobicContact CD2-CE1 4.23Å; Y13-F31 HydrophobicContact CD2-CG 4.42Å; Y13-F31 HydrophobicContact CG-CD1 4.31Å; Y13-F31 HydrophobicContact CG-CE1 4.4Å; Y13-L32 HydrophobicContact CD2-CD2 4.27Å; Y13-L32 HydrophobicContact CD2-CG 4.28Å; Y13-L32 HydrophobicContact CE2-CD1 3.73Å; Y13-L32 HydrophobicContact CE2-CD2 3.94Å; Y13-L32 HydrophobicContact CE2-CG 3.74Å; Y13-K91 VanDerWaalsContact CG-NZ 3.31Å |
| 14 | L | 88.1 | Confident | 88 | Confident | 100 Ų | 100 | 63.5 Ų | 63.5 | 52% | 0.524 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -12.3 | 173.4 | -64.4 | 179 | 0 | 0 | 0 | 114.7 | F10 Q11 Q12 I16 | F10-L14 HydrophobicContact CD1-CD1 4.49Å; F10-L14 HydrophobicContact CD2-CD1 4.49Å; F10-L14 HydrophobicContact CD2-CD2 4.29Å; F10-L14 HydrophobicContact CD2-CG 4.1Å; F10-L14 HydrophobicContact CE1-CD1 4.01Å; F10-L14 HydrophobicContact CE2-CD1 4.02Å; F10-L14 HydrophobicContact CE2-CD2 3.73Å; F10-L14 HydrophobicContact CE2-CG 3.87Å; F10-L14 HydrophobicContact CZ-CD1 3.77Å; F10-L14 HydrophobicContact CZ-CD2 4.2Å; F10-L14 HydrophobicContact CZ-CG 4.16Å; F10-L14 WeakPolarHBondContact O-CG 3.35Å; F10-L14 PolarHBondContact O-N 3.43Å; Q11-L14 HydrophobicContact CB-CD1 4.06Å; Q11-L14 HydrophobicContact CG-CD1 4.05Å; Q12-L14 VanDerWaalsContact C-N 3.32Å; Q12-L14 PolarHBondContact O-N 3.31Å; L14-I16 VanDerWaalsContact C-N 3.29Å |
| 15 | R | 89.5 | Confident | 88.8 | Confident | 126 Ų | 126 | 59.8 Ų | 59.8 | 48% | 0.475 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -7.7 | 172.7 | -66.5 | 172.9 | -175.5 | 105 | -15.6 | 112.3 | Q11 Q12 Y13 F88 D89 | Q11-R15 VanDerWaalsContact C-NH1 3.3Å; Q11-R15 WeakPolarHBondContact O-CG 3.34Å; Q11-R15 PolarHBondContact O-NH1 2.77Å; Q12-R15 WeakPolarHBondContact O-CB 3.3Å; Q12-R15 PolarHBondContact O-N 2.89Å; Y13-R15 PolarHBondContact O-N 2.75Å; Y13-R15 VanDerWaalsContact O-N 3.16Å; R15-F88 VanDerWaalsContact CZ-O 3.28Å; R15-F88 PolarHBondContact NH1-O 3.44Å; R15-F88 VanDerWaalsContact NH1-O 3.11Å; R15-F88 PolarHBondContact NH2-O 2.88Å; R15-D89 IonicContact CZ-OD1 3.52Å; R15-D89 IonicContact NH1-OD1 3.22Å; R15-D89 PolarHBondContact NH1-OD1 3.09Å; R15-D89 IonicContact NH2-OD1 3.61Å; R15-D89 PolarHBondContact NH2-OD1 3.03Å |
| 16 | I | 91.3 | Very high | 89.2 | Confident | 28 Ų | 28 | 60.7 Ų | 60.7 | 14% | 0.144 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -83.6 | 127.1 | 174.3 | -51.5 | 176.5 | 0 | 0 | 0 | 107.8 | Y13 L14 T18 D24 A28 F31 | Y13-I16 HydrophobicContact CD2-CD1 3.95Å; Y13-I16 VanDerWaalsContact O-CB 3.31Å; Y13-I16 WeakPolarHBondContact O-CB 3.45Å; Y13-I16 WeakPolarHBondContact O-CG1 3.41Å; Y13-I16 PolarHBondContact O-N 2.79Å; L14-I16 VanDerWaalsContact C-N 3.29Å; I16-T18 HydrophobicContact CG2-CG2 4.09Å; I16-T18 PolarHBondContact O-N 2.81Å; I16-T18 VanDerWaalsContact O-N 3.12Å; I16-D24 HydrophobicContact CG2-CB 4.16Å; I16-A28 HydrophobicContact CG2-CB 4.21Å; I16-F31 HydrophobicContact CD1-CB 3.53Å; I16-F31 HydrophobicContact CD1-CD2 4.41Å; I16-F31 HydrophobicContact CD1-CG 3.93Å |
| 17 | R | 89.7 | Confident | 89.6 | Confident | 155 Ų | 155 | 61.3 Ų | 61.3 | 59% | 0.585 | 31% | 0.308 | S | S | * | . | trans | -86.8 | 83.6 | -173.3 | -70.3 | -64.9 | -57.5 | -89.3 | -7.2 | 110.7 | D19 D24 | R17-D19 VanDerWaalsContact C-N 3.35Å; R17-D19 IonicContact CZ-OD1 3.78Å; R17-D19 VanDerWaalsContact CZ-OD1 3.29Å; R17-D19 IonicContact CZ-OD2 2.78Å; R17-D19 IonicContact NE-OD1 3.95Å; R17-D19 PolarHBondContact NE-OD1 3.44Å; R17-D19 IonicContact NE-OD2 2.76Å; R17-D19 VanDerWaalsContact NH2-CG 3.26Å; R17-D19 IonicContact NH2-OD1 2.59Å; R17-D19 PolarHBondContact NH2-OD1 3.29Å; R17-D19 IonicContact NH2-OD2 3.67Å; R17-D19 PolarHBondContact NH2-OD2 3.08Å; R17-D24 WeakPolarHBondContact O-CB 3.14Å; R17-D24 PolarHBondContact O-N 3.26Å | ||
| 18 | T | 90.4 | Very high | 89.9 | Confident | 14 Ų | 14 | 60.2 Ų | 60.2 | 9% | 0.086 | 30% | 0.301 | C | S | . | . | trans | -95.9 | 19.5 | 176.4 | 56.4 | 0 | 0 | 0 | 0 | 113.1 | I16 P23 A28 M75 D76 V77 | I16-T18 HydrophobicContact CG2-CG2 4.09Å; I16-T18 PolarHBondContact O-N 2.81Å; I16-T18 VanDerWaalsContact O-N 3.12Å; T18-P23 WeakPolarHBondContact O-CB 3.15Å; T18-A28 HydrophobicContact CG2-CB 3.82Å; T18-M75 WeakPolarHBondContact CB-O 3.25Å; T18-M75 WeakPolarHBondContact CG2-O 3.45Å; T18-M75 PolarHBondContact OG1-O 3.25Å; T18-D76 VanDerWaalsContact O-CA 3.24Å; T18-D76 WeakPolarHBondContact O-CA 3.31Å; T18-V77 PolarHBondContact O-N 3.16Å; T18-V77 VanDerWaalsContact O-N 3.09Å | ||
| 19 | D | 86.5 | Confident | 90.2 | Very high | 34 Ų | 34 | 59.4 Ų | 59.4 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -77 | 140.4 | 174.9 | 57.4 | -61.2 | 0 | 0 | 0 | 113 | R17 N22 V77 | R17-D19 VanDerWaalsContact C-N 3.35Å; R17-D19 IonicContact CZ-OD1 3.78Å; R17-D19 VanDerWaalsContact CZ-OD1 3.29Å; R17-D19 IonicContact CZ-OD2 2.78Å; R17-D19 IonicContact NE-OD1 3.95Å; R17-D19 PolarHBondContact NE-OD1 3.44Å; R17-D19 IonicContact NE-OD2 2.76Å; R17-D19 VanDerWaalsContact NH2-CG 3.26Å; R17-D19 IonicContact NH2-OD1 2.59Å; R17-D19 PolarHBondContact NH2-OD1 3.29Å; R17-D19 IonicContact NH2-OD2 3.67Å; R17-D19 PolarHBondContact NH2-OD2 3.08Å; D19-N22 PolarHBondContact O-N 3.41Å; D19-V77 WeakPolarHBondContact CA-O 3.26Å; D19-V77 HydrophobicContact CB-CG2 3.96Å |
| 20 | H | 86.3 | Confident | 90.4 | Very high | 33 Ų | 33 | 60.9 Ų | 60.9 | 15% | 0.153 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 151.2 | 174.6 | -80.1 | -81 | 0 | 0 | 0 | 112.3 | D76 V77 P79 | H20-D76 IonicContact CD2-OD2 2.73Å; H20-D76 IonicContact CE1-OD2 2.66Å; H20-D76 IonicContact NE2-OD2 2.68Å; H20-D76 PolarHBondContact NE2-OD2 3.22Å; H20-V77 PolarHBondContact N-O 3.26Å; H20-P79 WeakPolarHBondContact O-CG 3.19Å |
| 21 | P | 85.6 | Confident | 90.7 | Very high | 110 Ų | 110 | 60.4 Ų | 60.4 | 71% | 0.714 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -98 | 14.5 | 5.4 | 37.6 | -33.6 | 0 | 0 | 0 | 114.2 | P23 | P21-P23 VanDerWaalsContact C-CD 3.44Š|
| 22 | N | 87.6 | Confident | 90.9 | Very high | 142 Ų | 142 | 58.4 Ų | 58.4 | 76% | 0.759 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -131.2 | 58.1 | -178.8 | -57.5 | -83.2 | 0 | 0 | 0 | 112.6 | D19 | D19-N22 PolarHBondContact O-N 3.41Š|
| 23 | P | 90.1 | Very high | 91 | Very high | 26 Ų | 26 | 55.5 Ų | 55.5 | 17% | 0.169 | 29% | 0.288 | C | S | . | . | trans | -68.1 | 134 | -174.5 | 28.9 | -37.4 | 0 | 0 | 0 | 113.5 | T18 P21 Y25 | T18-P23 WeakPolarHBondContact O-CB 3.15Å; P21-P23 VanDerWaalsContact C-CD 3.44Å; P23-Y25 VanDerWaalsContact C-N 3.25Å; P23-Y25 HydrophobicContact CB-CD1 4.27Å; P23-Y25 HydrophobicContact CB-CD2 4.42Å; P23-Y25 HydrophobicContact CB-CE1 3.95Å; P23-Y25 HydrophobicContact CB-CE2 4.12Å; P23-Y25 HydrophobicContact CB-CG 4.5Å; P23-Y25 HydrophobicContact CG-CD2 3.95Å; P23-Y25 HydrophobicContact CG-CE1 4.03Å; P23-Y25 HydrophobicContact CG-CE2 3.37Å; P23-Y25 VanDerWaalsContact CG-CZ 3.4Å; P23-Y25 PolarHBondContact O-N 3.43Å | ||
| 24 | D | 92.4 | Very high | 91.1 | Very high | 76 Ų | 76 | 56.1 Ų | 56.1 | 41% | 0.406 | 30% | 0.301 | S | S | . | . | trans | -78.7 | 66.5 | 173.9 | -174.9 | 18.1 | 0 | 0 | 0 | 112.5 | I16 R17 D26 G27 A28 | I16-D24 HydrophobicContact CG2-CB 4.16Å; R17-D24 WeakPolarHBondContact O-CB 3.14Å; R17-D24 PolarHBondContact O-N 3.26Å; D24-D26 PolarHBondContact O-N 2.89Å; D24-G27 PolarHBondContact O-N 3.14Å; D24-G27 PolarHBondContact OD1-N 3.12Å; D24-A28 WeakPolarHBondContact O-CB 3.29Å; D24-A28 PolarHBondContact O-N 2.88Å | ||
| 25 | Y | 92.9 | Very high | 91.3 | Very high | 18 Ų | 18 | 52.4 Ų | 52.4 | 7% | 0.071 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.6 | -29.2 | 174.9 | -63.6 | -50.9 | 0 | 0 | 0 | 113 | P23 I29 N51 M75 D76 A101 D102 | P23-Y25 VanDerWaalsContact C-N 3.25Å; P23-Y25 HydrophobicContact CB-CD1 4.27Å; P23-Y25 HydrophobicContact CB-CD2 4.42Å; P23-Y25 HydrophobicContact CB-CE1 3.95Å; P23-Y25 HydrophobicContact CB-CE2 4.12Å; P23-Y25 HydrophobicContact CB-CG 4.5Å; P23-Y25 HydrophobicContact CG-CD2 3.95Å; P23-Y25 HydrophobicContact CG-CE1 4.03Å; P23-Y25 HydrophobicContact CG-CE2 3.37Å; P23-Y25 VanDerWaalsContact CG-CZ 3.4Å; P23-Y25 PolarHBondContact O-N 3.43Å; Y25-I29 WeakPolarHBondContact O-CB 3.19Å; Y25-I29 WeakPolarHBondContact O-CG1 3.48Å; Y25-I29 PolarHBondContact O-N 3.2Å; Y25-N51 VanDerWaalsContact CD2-O 3.31Å; Y25-N51 WeakPolarHBondContact CD2-O 3.3Å; Y25-M75 HydrophobicContact CD1-CB 3.88Å; Y25-M75 HydrophobicContact CD1-CE 3.72Å; Y25-M75 HydrophobicContact CD1-SD 4.25Å; Y25-M75 HydrophobicContact CE1-CB 4.06Å; Y25-M75 HydrophobicContact CE1-CE 4.4Å; Y25-M75 HydrophobicContact CG-CE 4.26Å; Y25-D76 HydrophobicContact CE1-CB 3.74Å; Y25-D76 WeakPolarHBondContact OH-CB 3.37Å; Y25-D76 PolarHBondContact OH-OD1 3.03Å; Y25-D76 PolarHBondContact OH-OD2 3.37Å; Y25-A101 HydrophobicContact CD1-CB 3.92Å; Y25-A101 HydrophobicContact CD2-CB 4.08Å; Y25-A101 HydrophobicContact CE1-CB 3.52Å; Y25-A101 HydrophobicContact CE2-CB 3.68Å; Y25-A101 HydrophobicContact CG-CB 4.19Å; Y25-D102 PolarHBondContact OH-N 2.99Å |
| 26 | D | 92.4 | Very high | 91.4 | Very high | 92 Ų | 92 | 46.6 Ų | 46.6 | 49% | 0.492 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -75.4 | -38.9 | -179.6 | -85.4 | -10.1 | 0 | 0 | 0 | 111.9 | D24 S30 K45 | D24-D26 PolarHBondContact O-N 2.89Å; D26-S30 VanDerWaalsContact O-CB 3.26Å; D26-S30 WeakPolarHBondContact O-CB 3.39Å; D26-S30 PolarHBondContact O-N 2.92Å; D26-S30 PolarHBondContact O-OG 3.31Å; D26-K45 IonicContact OD1-NZ 3.71Å; D26-K45 PolarHBondContact OD1-NZ 3.05Å |
| 27 | G | 93.3 | Very high | 91.5 | Very high | 21 Ų | 21 | 51.6 Ų | 51.6 | 22% | 0.216 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.9 | -45 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D24 S30 F31 | D24-G27 PolarHBondContact O-N 3.14Å; D24-G27 PolarHBondContact OD1-N 3.12Å; G27-S30 PolarHBondContact O-N 3.39Å; G27-F31 PolarHBondContact O-N 2.59Å |
| 28 | A | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | Y13 I16 T18 D24 S30 F31 L32 M75 | Y13-A28 HydrophobicContact CE2-CB 4.16Å; I16-A28 HydrophobicContact CG2-CB 4.21Å; T18-A28 HydrophobicContact CG2-CB 3.82Å; D24-A28 WeakPolarHBondContact O-CB 3.29Å; D24-A28 PolarHBondContact O-N 2.88Å; A28-S30 PolarHBondContact O-N 2.91Å; A28-F31 PolarHBondContact O-N 3.34Å; A28-L32 WeakPolarHBondContact O-CB 3.38Å; A28-L32 WeakPolarHBondContact O-CD1 3.38Å; A28-L32 WeakPolarHBondContact O-CG 3.49Å; A28-L32 PolarHBondContact O-N 2.91Å; A28-M75 HydrophobicContact CB-CB 4.44Å; A28-M75 HydrophobicContact CB-CG 4.34Å; A28-M75 HydrophobicContact CB-SD 3.77Å |
| 29 | I | 93.8 | Very high | 91.4 | Very high | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.4 | -38.8 | 175.5 | -72 | -172.3 | 0 | 0 | 0 | 111.5 | Y25 F31 L32 S33 K45 P53 L55 M75 | Y25-I29 WeakPolarHBondContact O-CB 3.19Å; Y25-I29 WeakPolarHBondContact O-CG1 3.48Å; Y25-I29 PolarHBondContact O-N 3.2Å; I29-F31 PolarHBondContact O-N 2.77Å; I29-L32 PolarHBondContact O-N 3.27Å; I29-S33 WeakPolarHBondContact O-CB 3.35Å; I29-S33 PolarHBondContact O-N 3.28Å; I29-S33 PolarHBondContact O-OG 3.21Å; I29-K45 HydrophobicContact CD1-CD 4.42Å; I29-K45 HydrophobicContact CD1-CG 4.18Å; I29-K45 HydrophobicContact CG2-CD 4.13Å; I29-K45 HydrophobicContact CG2-CG 4.36Å; I29-P53 HydrophobicContact CD1-CB 3.53Å; I29-P53 HydrophobicContact CD1-CG 3.52Å; I29-L55 HydrophobicContact CD1-CB 4.18Å; I29-L55 HydrophobicContact CG1-CB 4.08Å; I29-L55 HydrophobicContact CG2-CD1 4.35Å; I29-M75 HydrophobicContact CD1-CE 4.04Å; I29-M75 HydrophobicContact CD1-SD 4.27Å; I29-M75 HydrophobicContact CG1-CE 4.02Å; I29-M75 HydrophobicContact CG1-SD 3.57Å; I29-M75 VanDerWaalsContact CG1-SD 3.57Å |
| 30 | S | 94.4 | Very high | 91.6 | Very high | 80 Ų | 80 | 53 Ų | 53 | 56% | 0.559 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62 | -44 | 178 | -61.9 | 0 | 0 | 0 | 0 | 111.6 | D26 G27 A28 A34 | D26-S30 VanDerWaalsContact O-CB 3.26Å; D26-S30 WeakPolarHBondContact O-CB 3.39Å; D26-S30 PolarHBondContact O-N 2.92Å; D26-S30 PolarHBondContact O-OG 3.31Å; G27-S30 PolarHBondContact O-N 3.39Å; A28-S30 PolarHBondContact O-N 2.91Å; S30-A34 PolarHBondContact O-N 3.41Å; S30-A34 VanDerWaalsContact O-N 3.12Å |
| 31 | F | 94.8 | Very high | 91.8 | Very high | 42 Ų | 42 | 52.6 Ų | 52.6 | 18% | 0.184 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63 | -50.9 | 174.6 | -178.3 | -87.5 | 0 | 0 | 0 | 111.9 | R9 Q12 Y13 I16 G27 A28 I29 S33 A34 V35 | R9-F31 HydrophobicContact CB-CZ 4.13Å; R9-F31 WeakPolarHBondContact O-CZ 3.23Å; Q12-F31 HydrophobicContact CB-CE2 3.87Å; Q12-F31 HydrophobicContact CB-CZ 4.08Å; Y13-F31 AromaticContact CD2-CD1 3.7Å; Y13-F31 HydrophobicContact CD2-CD1 3.7Å; Y13-F31 HydrophobicContact CD2-CE1 4.23Å; Y13-F31 HydrophobicContact CD2-CG 4.42Å; Y13-F31 HydrophobicContact CG-CD1 4.31Å; Y13-F31 HydrophobicContact CG-CE1 4.4Å; I16-F31 HydrophobicContact CD1-CB 3.53Å; I16-F31 HydrophobicContact CD1-CD2 4.41Å; I16-F31 HydrophobicContact CD1-CG 3.93Å; G27-F31 PolarHBondContact O-N 2.59Å; A28-F31 PolarHBondContact O-N 3.34Å; I29-F31 PolarHBondContact O-N 2.77Å; F31-S33 VanDerWaalsContact C-N 3.32Å; F31-S33 PolarHBondContact O-N 2.9Å; F31-A34 PolarHBondContact O-N 3.29Å; F31-V35 HydrophobicContact CD1-CG2 3.98Å; F31-V35 HydrophobicContact CE1-CG2 3.54Å; F31-V35 HydrophobicContact CZ-CG2 3.98Å; F31-V35 WeakPolarHBondContact O-CG2 3.49Å; F31-V35 PolarHBondContact O-N 3.34Å |
| 32 | L | 93.4 | Very high | 92 | Very high | 18 Ų | 18 | 50.6 Ų | 50.6 | 9% | 0.094 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.4 | -34.2 | -178.1 | -68.4 | 164.9 | 0 | 0 | 0 | 112.6 | Y13 A28 I29 V35 A36 L55 M75 K91 V99 | Y13-L32 HydrophobicContact CD2-CD2 4.27Å; Y13-L32 HydrophobicContact CD2-CG 4.28Å; Y13-L32 HydrophobicContact CE2-CD1 3.73Å; Y13-L32 HydrophobicContact CE2-CD2 3.94Å; Y13-L32 HydrophobicContact CE2-CG 3.74Å; A28-L32 WeakPolarHBondContact O-CB 3.38Å; A28-L32 WeakPolarHBondContact O-CD1 3.38Å; A28-L32 WeakPolarHBondContact O-CG 3.49Å; A28-L32 PolarHBondContact O-N 2.91Å; I29-L32 PolarHBondContact O-N 3.27Å; L32-V35 PolarHBondContact O-N 3.47Å; L32-A36 PolarHBondContact O-N 3.44Å; L32-L55 HydrophobicContact CB-CD2 3.31Å; L32-L55 HydrophobicContact CD1-CD2 4.28Å; L32-L55 HydrophobicContact CG-CD2 4.43Å; L32-M75 HydrophobicContact CD1-CG 4.44Å; L32-M75 HydrophobicContact CD1-SD 4.44Å; L32-K91 VanDerWaalsContact CD2-NZ 3.31Å; L32-V99 HydrophobicContact CD1-CB 3.88Å; L32-V99 HydrophobicContact CD1-CG1 4.08Å; L32-V99 HydrophobicContact CD1-CG2 3.73Å; L32-V99 HydrophobicContact CD2-CG2 4.47Å |
| 33 | S | 93.9 | Very high | 92.2 | Very high | 13 Ų | 13 | 48.3 Ų | 48.3 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 173.6 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | I29 F31 A36 Q37 Y43 | I29-S33 WeakPolarHBondContact O-CB 3.35Å; I29-S33 PolarHBondContact O-N 3.28Å; I29-S33 PolarHBondContact O-OG 3.21Å; F31-S33 VanDerWaalsContact C-N 3.32Å; F31-S33 PolarHBondContact O-N 2.9Å; S33-A36 PolarHBondContact O-N 3.17Å; S33-Q37 WeakPolarHBondContact O-CB 3.38Å; S33-Q37 PolarHBondContact O-N 3.11Å; S33-Y43 VanDerWaalsContact CB-CE2 3.48Å |
| 34 | A | 94.2 | Very high | 92.3 | Very high | 46 Ų | 46 | 53.2 Ų | 53.2 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S30 F31 A36 Q37 D38 | S30-A34 PolarHBondContact O-N 3.41Å; S30-A34 VanDerWaalsContact O-N 3.12Å; F31-A34 PolarHBondContact O-N 3.29Å; A34-A36 PolarHBondContact O-N 3.01Å; A34-Q37 PolarHBondContact O-N 2.87Å; A34-D38 PolarHBondContact O-N 2.87Å |
| 35 | V | 91.8 | Very high | 92.3 | Very high | 22 Ų | 22 | 54.3 Ų | 54.3 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 173.1 | 177 | 0 | 0 | 0 | 0 | 111.5 | F31 L32 D38 F39 | F31-V35 HydrophobicContact CD1-CG2 3.98Å; F31-V35 HydrophobicContact CE1-CG2 3.54Å; F31-V35 HydrophobicContact CZ-CG2 3.98Å; F31-V35 WeakPolarHBondContact O-CG2 3.49Å; F31-V35 PolarHBondContact O-N 3.34Å; L32-V35 PolarHBondContact O-N 3.47Å; V35-D38 PolarHBondContact O-N 3.2Å; V35-F39 HydrophobicContact CG1-CD2 4.25Å; V35-F39 HydrophobicContact CG1-CE2 3.87Å; V35-F39 WeakPolarHBondContact O-CD2 3.5Å |
| 36 | A | 90.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L32 S33 A34 F39 G40 L41 Y43 V57 | L32-A36 PolarHBondContact O-N 3.44Å; S33-A36 PolarHBondContact O-N 3.17Å; A34-A36 PolarHBondContact O-N 3.01Å; A36-F39 CarbonylContact O-C 3.56Å; A36-F39 PolarHBondContact O-N 3.28Å; A36-G40 PolarHBondContact O-N 3.47Å; A36-L41 HydrophobicContact CB-CB 4.34Å; A36-L41 PolarHBondContact O-N 3.45Å; A36-Y43 HydrophobicContact CB-CD1 3.82Å; A36-Y43 HydrophobicContact CB-CG 4.24Å; A36-V57 HydrophobicContact CB-CG1 3.74Å; A36-V57 HydrophobicContact CB-CG2 4.06Å |
| 37 | Q | 93.1 | Very high | 92.1 | Very high | 133 Ų | 133 | 54.1 Ų | 54.1 | 62% | 0.621 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.4 | -38.9 | 178.2 | -169.5 | 174.3 | 6.6 | 0 | 0 | 113 | S33 A34 F39 G40 Y43 | S33-Q37 WeakPolarHBondContact O-CB 3.38Å; S33-Q37 PolarHBondContact O-N 3.11Å; A34-Q37 PolarHBondContact O-N 2.87Å; Q37-F39 PolarHBondContact O-N 3.03Å; Q37-G40 PolarHBondContact O-N 3.06Å; Q37-Y43 HydrophobicContact CB-CE1 4.24Å |
| 38 | D | 91.1 | Very high | 91.7 | Very high | 100 Ų | 100 | 56.5 Ų | 56.5 | 54% | 0.535 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.6 | -30.9 | 174.7 | -78.4 | -13 | 0 | 0 | 0 | 112.7 | R9 A34 V35 | R9-D38 IonicContact CZ-OD2 2.74Å; R9-D38 IonicContact NH1-OD2 2.69Å; R9-D38 PolarHBondContact NH1-OD2 2.97Å; R9-D38 IonicContact NH2-OD2 3.49Å; R9-D38 PolarHBondContact NH2-OD2 3.26Å; A34-D38 PolarHBondContact O-N 2.87Å; V35-D38 PolarHBondContact O-N 3.2Å |
| 39 | F | 88.2 | Confident | 91.3 | Very high | 68 Ų | 68 | 57.4 Ų | 57.4 | 30% | 0.298 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 5.7 | 177 | -59.3 | -56.5 | 0 | 0 | 0 | 113.8 | M1 V35 A36 Q37 L41 L93 | M1-F39 HydrophobicContact CE-CE1 4.29Å; M1-F39 HydrophobicContact CE-CE2 4.2Å; M1-F39 HydrophobicContact CE-CZ 3.5Å; M1-F39 VanDerWaalsContact CE-CZ 3.5Å; M1-F39 HydrophobicContact SD-CE1 4.26Å; M1-F39 HydrophobicContact SD-CZ 3.63Å; V35-F39 HydrophobicContact CG1-CD2 4.25Å; V35-F39 HydrophobicContact CG1-CE2 3.87Å; V35-F39 WeakPolarHBondContact O-CD2 3.5Å; A36-F39 CarbonylContact O-C 3.56Å; A36-F39 PolarHBondContact O-N 3.28Å; Q37-F39 PolarHBondContact O-N 3.03Å; F39-L41 HydrophobicContact CB-CD1 4.09Å; F39-L41 HydrophobicContact CB-CG 3.97Å; F39-L41 PolarHBondContact O-N 3.36Å; F39-L93 HydrophobicContact CD1-CD1 4.09Å; F39-L93 HydrophobicContact CD1-CD2 4.05Å; F39-L93 HydrophobicContact CD2-CD2 3.72Å; F39-L93 HydrophobicContact CD2-CG 4.49Å; F39-L93 HydrophobicContact CE1-CD1 3.75Å; F39-L93 HydrophobicContact CE1-CD2 4.22Å; F39-L93 HydrophobicContact CE1-CG 4.23Å; F39-L93 HydrophobicContact CE2-CD2 3.88Å; F39-L93 HydrophobicContact CE2-CG 4.18Å; F39-L93 HydrophobicContact CG-CD2 3.83Å; F39-L93 HydrophobicContact CZ-CD1 4.03Å; F39-L93 HydrophobicContact CZ-CD2 4.15Å; F39-L93 HydrophobicContact CZ-CG 4.07Å |
| 40 | G | 90.5 | Very high | 90.8 | Very high | 64 Ų | 64 | 64.9 Ų | 64.9 | 66% | 0.66 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 17.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | A36 Q37 | A36-G40 PolarHBondContact O-N 3.47Å; Q37-G40 PolarHBondContact O-N 3.06Å |
| 41 | L | 89.2 | Confident | 90.3 | Very high | 25 Ų | 25 | 67 Ų | 67 | 13% | 0.131 | 35% | 0.351 | C | S | . | . | trans | -80.1 | 128.5 | -176.5 | -61.1 | 173.7 | 0 | 0 | 0 | 110.8 | A36 F39 Y43 V57 L59 L94 | A36-L41 HydrophobicContact CB-CB 4.34Å; A36-L41 PolarHBondContact O-N 3.45Å; F39-L41 HydrophobicContact CB-CD1 4.09Å; F39-L41 HydrophobicContact CB-CG 3.97Å; F39-L41 PolarHBondContact O-N 3.36Å; L41-Y43 PolarHBondContact O-N 3.36Å; L41-V57 HydrophobicContact CB-CG1 3.82Å; L41-V57 HydrophobicContact CD1-CG1 3.94Å; L41-L59 HydrophobicContact CD2-CD1 3.88Å; L41-L94 HydrophobicContact CD1-CD1 3.64Å; L41-L94 HydrophobicContact CD2-CD1 4.07Å; L41-L94 HydrophobicContact CG-CD1 4.47Å | ||
| 42 | P | 89.7 | Confident | 89.9 | Confident | 67 Ų | 67 | 67.3 Ų | 67.3 | 44% | 0.435 | 35% | 0.352 | S | S | . | . | trans | -57.5 | 132.8 | 169.5 | -24.7 | 34.3 | 0 | 0 | 0 | 111.7 | T58 | P42-T58 WeakPolarHBondContact CD-O 3.35Å; P42-T58 PolarHBondContact O-N 3.01Å | ||
| 43 | Y | 92.9 | Very high | 89.8 | Confident | 95 Ų | 95 | 66.7 Ų | 66.7 | 37% | 0.373 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 154.5 | 176 | 67.4 | -90.7 | 0 | 0 | 0 | 112.2 | S33 A36 Q37 L41 L55 L56 | S33-Y43 VanDerWaalsContact CB-CE2 3.48Å; A36-Y43 HydrophobicContact CB-CD1 3.82Å; A36-Y43 HydrophobicContact CB-CG 4.24Å; Q37-Y43 HydrophobicContact CB-CE1 4.24Å; L41-Y43 PolarHBondContact O-N 3.36Å; Y43-L55 HydrophobicContact CD2-CD1 4Å; Y43-L55 HydrophobicContact CG-CD1 4.48Å; Y43-L56 CarbonylContact C-O 3.57Å; Y43-L56 WeakPolarHBondContact CA-O 3.48Å; Y43-L56 WeakPolarHBondContact CB-O 3.28Å |
| 44 | R | 91.9 | Very high | 89.6 | Confident | 128 Ų | 128 | 66.2 Ų | 66.2 | 48% | 0.483 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 128.4 | 177.7 | -65 | -173 | -69.5 | 173.2 | -0.5 | 110.4 | L46 L56 | R44-L46 HydrophobicContact CB-CD2 4.21Å; R44-L56 PolarHBondContact N-O 2.96Å; R44-L56 VanDerWaalsContact NH2-CD2 3.33Å; R44-L56 PolarHBondContact O-N 3.25Å |
| 45 | K | 92.1 | Very high | 89.5 | Confident | 99 Ų | 99 | 64 Ų | 64 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 114.6 | 165.5 | -175.3 | 179.5 | -172.7 | 174.9 | 0 | 108.5 | D26 I29 V47 P53 I54 | D26-K45 IonicContact OD1-NZ 3.71Å; D26-K45 PolarHBondContact OD1-NZ 3.05Å; I29-K45 HydrophobicContact CD1-CD 4.42Å; I29-K45 HydrophobicContact CD1-CG 4.18Å; I29-K45 HydrophobicContact CG2-CD 4.13Å; I29-K45 HydrophobicContact CG2-CG 4.36Å; K45-V47 HydrophobicContact CG-CG2 4.33Å; K45-P53 VanDerWaalsContact CE-CB 3.47Å; K45-P53 HydrophobicContact CG-CB 4.28Å; K45-I54 WeakPolarHBondContact CA-O 3.29Å |
| 46 | L | 90.8 | Very high | 89.5 | Confident | 22 Ų | 22 | 63 Ų | 63 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 146.6 | 174.7 | -50.8 | 176.5 | 0 | 0 | 0 | 108.9 | R44 F48 P53 I54 L56 F114 E119 | R44-L46 HydrophobicContact CB-CD2 4.21Å; L46-F48 HydrophobicContact CB-CD2 4.41Å; L46-F48 HydrophobicContact CB-CE2 3.6Å; L46-F48 HydrophobicContact CB-CZ 3.9Å; L46-F48 HydrophobicContact CD1-CE2 4.02Å; L46-F48 HydrophobicContact CD1-CZ 4.02Å; L46-F48 HydrophobicContact CG-CE2 4.42Å; L46-F48 HydrophobicContact CG-CZ 4.44Å; L46-P53 WeakPolarHBondContact O-CA 3.31Å; L46-I54 HydrophobicContact CB-CB 4.36Å; L46-I54 PolarHBondContact N-O 3.1Å; L46-I54 PolarHBondContact O-N 2.88Å; L46-L56 HydrophobicContact CD1-CB 4.44Å; L46-L56 HydrophobicContact CD1-CD2 4.41Å; L46-F114 HydrophobicContact CD1-CE2 3.88Å; L46-F114 HydrophobicContact CD1-CZ 4.31Å; L46-E119 HydrophobicContact CD1-CB 4.44Å |
| 47 | V | 90.2 | Very high | 89.4 | Confident | 85 Ų | 85 | 63.4 Ų | 63.4 | 52% | 0.515 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 97 | -179.3 | -173.3 | 0 | 0 | 0 | 0 | 109.3 | K45 T49 P53 | K45-V47 HydrophobicContact CG-CG2 4.33Å; V47-T49 WeakPolarHBondContact CG1-O 3.35Å; V47-P53 HydrophobicContact CG2-CB 4.09Å |
| 48 | F | 85.5 | Confident | 89.1 | Confident | 70 Ų | 70 | 58.8 Ų | 58.8 | 31% | 0.307 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -27.8 | 178.4 | -54.3 | -73.3 | 0 | 0 | 0 | 112.5 | L46 I54 F114 T117 E119 | L46-F48 HydrophobicContact CB-CD2 4.41Å; L46-F48 HydrophobicContact CB-CE2 3.6Å; L46-F48 HydrophobicContact CB-CZ 3.9Å; L46-F48 HydrophobicContact CD1-CE2 4.02Å; L46-F48 HydrophobicContact CD1-CZ 4.02Å; L46-F48 HydrophobicContact CG-CE2 4.42Å; L46-F48 HydrophobicContact CG-CZ 4.44Å; F48-I54 HydrophobicContact CD2-CD1 3.91Å; F48-I54 HydrophobicContact CE2-CD1 4.12Å; F48-F114 HydrophobicContact CD2-CD2 4.17Å; F48-F114 AromaticContact CE2-CD2 3.45Å; F48-F114 HydrophobicContact CE2-CD2 3.45Å; F48-F114 VanDerWaalsContact CE2-CD2 3.45Å; F48-F114 AromaticContact CE2-CE2 3.93Å; F48-F114 HydrophobicContact CE2-CE2 3.93Å; F48-F114 HydrophobicContact CE2-CG 4.4Å; F48-F114 HydrophobicContact CZ-CD2 4.05Å; F48-F114 HydrophobicContact CZ-CE2 4.27Å; F48-T117 HydrophobicContact CD1-CG2 3.67Å; F48-T117 HydrophobicContact CD2-CG2 4.26Å; F48-T117 HydrophobicContact CE1-CG2 3.48Å; F48-T117 VanDerWaalsContact CE1-CG2 3.48Å; F48-T117 HydrophobicContact CE2-CG2 4.1Å; F48-T117 HydrophobicContact CG-CG2 4.06Å; F48-T117 HydrophobicContact CZ-CG2 3.71Å; F48-E119 HydrophobicContact CZ-CB 4.24Å; F48-E119 HydrophobicContact CZ-CG 4.25Å |
| 49 | T | 84.7 | Confident | 88.8 | Confident | 19 Ų | 19 | 57.5 Ų | 57.5 | 12% | 0.117 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 140.4 | 171.2 | -56.4 | 0 | 0 | 0 | 0 | 109.3 | V47 N51 K52 E109 K113 | V47-T49 WeakPolarHBondContact CG1-O 3.35Å; T49-N51 PolarHBondContact O-N 3.08Å; T49-K52 HydrophobicContact CG2-CB 4.5Å; T49-K52 HydrophobicContact CG2-CD 4.05Å; T49-K52 HydrophobicContact CG2-CG 4.47Å; T49-K52 PolarHBondContact O-N 2.88Å; T49-K52 VanDerWaalsContact O-N 3.17Å; T49-E109 HydrophobicContact CG2-CB 4.14Å; T49-E109 VanDerWaalsContact CG2-OE2 3.26Å; T49-E109 WeakPolarHBondContact CG2-OE2 3.17Å; T49-E109 PolarHBondContact OG1-O 3.22Å; T49-K113 VanDerWaalsContact OG1-CD 3.25Å; T49-K113 WeakPolarHBondContact OG1-CD 3.14Å; T49-K113 PolarHBondContact OG1-NZ 3.48Å |
| 50 | Q | 84.4 | Confident | 88.4 | Confident | 162 Ų | 162 | 61.1 Ų | 61.1 | 76% | 0.757 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 134.7 | 176.3 | -179.1 | 173.3 | 2.5 | 0 | 0 | 110.9 | K52 | Q50-K52 PolarHBondContact O-N 2.96Å; Q50-K52 VanDerWaalsContact O-N 3.13Å |
| 51 | N | 82.9 | Confident | 87.9 | Confident | 126 Ų | 126 | 60.6 Ų | 60.6 | 67% | 0.674 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 10.9 | -178 | -54.2 | -3.5 | 0 | 0 | 0 | 115.7 | Y25 T49 P53 | Y25-N51 VanDerWaalsContact CD2-O 3.31Å; Y25-N51 WeakPolarHBondContact CD2-O 3.3Å; T49-N51 PolarHBondContact O-N 3.08Å; N51-P53 VanDerWaalsContact C-CD 3.45Å; N51-P53 WeakPolarHBondContact O-CD 3.37Å |
| 52 | K | 86.1 | Confident | 87.3 | Confident | 47 Ų | 47 | 68.4 Ų | 68.4 | 20% | 0.204 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 74.4 | 172.2 | -61.8 | 177.4 | -177.6 | -170.8 | 0 | 109.3 | T49 Q50 A101 D102 E109 | T49-K52 HydrophobicContact CG2-CB 4.5Å; T49-K52 HydrophobicContact CG2-CD 4.05Å; T49-K52 HydrophobicContact CG2-CG 4.47Å; T49-K52 PolarHBondContact O-N 2.88Å; T49-K52 VanDerWaalsContact O-N 3.17Å; Q50-K52 PolarHBondContact O-N 2.96Å; Q50-K52 VanDerWaalsContact O-N 3.13Å; K52-A101 HydrophobicContact CB-CB 4.16Å; K52-D102 HydrophobicContact CD-CB 3.93Å; K52-D102 VanDerWaalsContact CE-CG 3.44Å; K52-D102 WeakPolarHBondContact CE-OD1 3.41Å; K52-D102 HydrophobicContact CG-CB 4.5Å; K52-D102 IonicContact NZ-OD1 2.67Å; K52-D102 PolarHBondContact NZ-OD1 3.04Å; K52-D102 IonicContact NZ-OD2 2.68Å; K52-D102 PolarHBondContact NZ-OD2 3.18Å; K52-E109 HydrophobicContact CD-CB 3.55Å |
| 53 | P | 91.5 | Very high | 86.8 | Confident | 5 Ų | 5 | 71.2 Ų | 71.2 | 3% | 0.032 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 153.4 | -179 | 35.8 | -36.3 | 0 | 0 | 0 | 111 | I29 K45 L46 V47 N51 M75 | I29-P53 HydrophobicContact CD1-CB 3.53Å; I29-P53 HydrophobicContact CD1-CG 3.52Å; K45-P53 VanDerWaalsContact CE-CB 3.47Å; K45-P53 HydrophobicContact CG-CB 4.28Å; L46-P53 WeakPolarHBondContact O-CA 3.31Å; V47-P53 HydrophobicContact CG2-CB 4.09Å; N51-P53 VanDerWaalsContact C-CD 3.45Å; N51-P53 WeakPolarHBondContact O-CD 3.37Å; P53-M75 WeakPolarHBondContact O-CE 3.47Å |
| 54 | I | 90 | Very high | 85.9 | Confident | 3 Ų | 3 | 72.5 Ų | 72.5 | 2% | 0.015 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 129 | 176.9 | -55.6 | -177.7 | 0 | 0 | 0 | 107.6 | K45 L46 F48 F98 L100 F114 | K45-I54 WeakPolarHBondContact CA-O 3.29Å; L46-I54 HydrophobicContact CB-CB 4.36Å; L46-I54 PolarHBondContact N-O 3.1Å; L46-I54 PolarHBondContact O-N 2.88Å; F48-I54 HydrophobicContact CD2-CD1 3.91Å; F48-I54 HydrophobicContact CE2-CD1 4.12Å; I54-F98 HydrophobicContact CG2-CD1 4.18Å; I54-L100 HydrophobicContact CB-CD2 4.26Å; I54-L100 HydrophobicContact CD1-CD2 3.63Å; I54-L100 HydrophobicContact CG1-CD2 3.78Å; I54-L100 HydrophobicContact CG2-CD2 3.61Å; I54-L100 HydrophobicContact CG2-CG 4.49Å; I54-F114 HydrophobicContact CD1-CB 3.6Å; I54-F114 HydrophobicContact CD1-CD1 4.09Å; I54-F114 HydrophobicContact CD1-CD2 4.07Å; I54-F114 HydrophobicContact CD1-CG 3.65Å |
| 55 | L | 92.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 116.8 | 168.7 | -177.8 | 61.8 | 0 | 0 | 0 | 109.8 | I29 L32 Y43 V57 F98 V99 | I29-L55 HydrophobicContact CD1-CB 4.18Å; I29-L55 HydrophobicContact CG1-CB 4.08Å; I29-L55 HydrophobicContact CG2-CD1 4.35Å; L32-L55 HydrophobicContact CB-CD2 3.31Å; L32-L55 HydrophobicContact CD1-CD2 4.28Å; L32-L55 HydrophobicContact CG-CD2 4.43Å; Y43-L55 HydrophobicContact CD2-CD1 4Å; Y43-L55 HydrophobicContact CG-CD1 4.48Å; L55-V57 HydrophobicContact CD1-CG2 4.49Å; L55-V57 HydrophobicContact CD2-CG2 4.11Å; L55-V57 HydrophobicContact CG-CG2 3.96Å; L55-F98 WeakPolarHBondContact O-CA 3.42Å; L55-V99 PolarHBondContact N-O 3.45Å; L55-V99 VanDerWaalsContact N-O 3.15Å; L55-V99 PolarHBondContact O-N 3.25Å; L55-V99 VanDerWaalsContact O-N 3.09Å |
| 56 | L | 90.9 | Very high | 84.6 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.9 | 167.8 | 161.3 | 48.5 | 0 | 0 | 0 | 108.8 | Y43 R44 L46 I96 F98 L123 | Y43-L56 CarbonylContact C-O 3.57Å; Y43-L56 WeakPolarHBondContact CA-O 3.48Å; Y43-L56 WeakPolarHBondContact CB-O 3.28Å; R44-L56 PolarHBondContact N-O 2.96Å; R44-L56 VanDerWaalsContact NH2-CD2 3.33Å; R44-L56 PolarHBondContact O-N 3.25Å; L46-L56 HydrophobicContact CD1-CB 4.44Å; L46-L56 HydrophobicContact CD1-CD2 4.41Å; L56-I96 HydrophobicContact CD1-CG2 4.22Å; L56-F98 HydrophobicContact CB-CD1 4.27Å; L56-F98 HydrophobicContact CB-CE1 3.74Å; L56-F98 HydrophobicContact CB-CZ 4.41Å; L56-F98 HydrophobicContact CD1-CD1 4.47Å; L56-F98 HydrophobicContact CD1-CE1 3.58Å; L56-F98 HydrophobicContact CD1-CE2 4.07Å; L56-F98 HydrophobicContact CD1-CZ 3.33Å; L56-F98 HydrophobicContact CD2-CE1 4.2Å; L56-F98 HydrophobicContact CD2-CZ 4.35Å; L56-F98 HydrophobicContact CG-CE1 4Å; L56-F98 HydrophobicContact CG-CZ 4.2Å; L56-L123 HydrophobicContact CD1-CD2 4.5Å; L56-L123 HydrophobicContact CD2-CD2 4.09Å |
| 57 | V | 90.3 | Very high | 84.1 | Confident | 12 Ų | 12 | 70.8 Ų | 70.8 | 7% | 0.073 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.2 | 169.3 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | A36 L41 L55 I96 W97 | A36-V57 HydrophobicContact CB-CG1 3.74Å; A36-V57 HydrophobicContact CB-CG2 4.06Å; L41-V57 HydrophobicContact CB-CG1 3.82Å; L41-V57 HydrophobicContact CD1-CG1 3.94Å; L55-V57 HydrophobicContact CD1-CG2 4.49Å; L55-V57 HydrophobicContact CD2-CG2 4.11Å; L55-V57 HydrophobicContact CG-CG2 3.96Å; V57-I96 WeakPolarHBondContact O-CA 3.31Å; V57-I96 WeakPolarHBondContact O-CG2 3.23Å; V57-W97 HydrophobicContact CB-CB 4.42Å; V57-W97 PolarHBondContact N-O 2.94Å; V57-W97 PolarHBondContact O-N 3.01Å; V57-W97 VanDerWaalsContact O-N 3.16Å |
| 58 | T | 86.4 | Confident | 83.8 | Confident | 36 Ų | 36 | 68 Ų | 68 | 22% | 0.221 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -101.2 | 130.4 | -176.4 | -60.3 | 0 | 0 | 0 | 0 | 111 | P42 E60 | P42-T58 WeakPolarHBondContact CD-O 3.35Å; P42-T58 PolarHBondContact O-N 3.01Å; T58-E60 HydrophobicContact CG2-CG 4.17Å |
| 59 | L | 84.7 | Confident | 83.7 | Confident | 73 Ų | 73 | 65.4 Ų | 65.4 | 38% | 0.382 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -98.1 | 127.2 | 154.4 | 178 | 68 | 0 | 0 | 0 | 108.1 | L41 L94 | L41-L59 HydrophobicContact CD2-CD1 3.88Å; L59-L94 HydrophobicContact CD1-CD2 4.21Å; L59-L94 HydrophobicContact CD2-CD2 3.98Å; L59-L94 HydrophobicContact CD2-CG 4.07Å |
| 60 | E | 80.4 | Confident | 83.8 | Confident | 144 Ų | 144 | 64.5 Ų | 64.5 | 67% | 0.673 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -83 | 125.1 | 178 | -65 | -174.6 | 172.4 | 0 | 0 | 111.1 | T58 | T58-E60 HydrophobicContact CG2-CG 4.17Š|
| 61 | G | 78.4 | Confident | 83.8 | Confident | 53 Ų | 53 | 57.3 Ų | 57.3 | 55% | 0.546 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 166.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E63 | G61-E63 VanDerWaalsContact C-N 3.31Å; G61-E63 PolarHBondContact O-N 3.5Å |
| 62 | Q | 76.9 | Confident | 84 | Confident | 189 Ų | 189 | 52 Ų | 52 | 88% | 0.883 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -71.9 | -23.5 | 179.3 | -60.7 | -59.5 | -72.6 | 0 | 0 | 113.4 | ||
| 63 | E | 78.4 | Confident | 84 | Confident | 127 Ų | 127 | 51.5 Ų | 51.5 | 59% | 0.593 | 30% | 0.297 | S | S | * | . | trans | -126 | 85.4 | -179.6 | -66.2 | -167.1 | -139.4 | 0 | 0 | 111.6 | G61 S65 L66 | G61-E63 VanDerWaalsContact C-N 3.31Å; G61-E63 PolarHBondContact O-N 3.5Å; E63-S65 PolarHBondContact O-N 2.78Å; E63-L66 HydrophobicContact CB-CD1 3.77Å; E63-L66 HydrophobicContact CB-CG 3.91Å; E63-L66 PolarHBondContact O-N 2.99Å; E63-L66 VanDerWaalsContact O-N 3.08Å | ||
| 64 | P | 75.6 | Confident | 83.7 | Confident | 122 Ų | 122 | 53.4 Ų | 53.4 | 79% | 0.792 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -1.6 | -176.5 | -24.9 | 35.6 | 0 | 0 | 0 | 116.4 | ||
| 65 | S | 77.7 | Confident | 83.6 | Confident | 98 Ų | 98 | 53.4 Ų | 53.4 | 69% | 0.685 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -13.9 | 173.8 | 45 | 0 | 0 | 0 | 0 | 114.2 | E63 | E63-S65 PolarHBondContact O-N 2.78Š|
| 66 | L | 78.7 | Confident | 83.3 | Confident | 61 Ų | 61 | 53.4 Ų | 53.4 | 32% | 0.319 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -79 | 162 | 178.1 | -62.1 | 179.7 | 0 | 0 | 0 | 111.5 | E63 N124 C308 | E63-L66 HydrophobicContact CB-CD1 3.77Å; E63-L66 HydrophobicContact CB-CG 3.91Å; E63-L66 PolarHBondContact O-N 2.99Å; E63-L66 VanDerWaalsContact O-N 3.08Å; L66-N124 VanDerWaalsContact C-ND2 3.34Å; L66-N124 PolarHBondContact O-ND2 2.8Å; L66-C308 HydrophobicContact CB-CB 4.19Å; L66-C308 HydrophobicContact CD1-CB 3.89Å; L66-C308 HydrophobicContact CG-CB 4.47Å |
| 67 | P | 80.2 | Confident | 82.9 | Confident | 53 Ų | 53 | 56.4 Ų | 56.4 | 34% | 0.344 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 136.9 | 170.8 | -21.1 | 34 | 0 | 0 | 0 | 111.7 | N124 W229 | P67-N124 CarbonylContact C-O 3.58Å; P67-N124 WeakPolarHBondContact CA-O 3.31Å; P67-W229 HydrophobicContact CB-CZ2 4.46Å |
| 68 | S | 84.5 | Confident | 82.3 | Confident | 26 Ų | 26 | 58 Ų | 58 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 165.6 | 177.9 | 73.9 | 0 | 0 | 0 | 0 | 112.3 | L123 N124 G126 | S68-L123 VanDerWaalsContact CB-O 3.28Å; S68-L123 WeakPolarHBondContact CB-O 3.19Å; S68-L123 PolarHBondContact OG-O 3.26Å; S68-N124 PolarHBondContact N-O 2.78Å; S68-G126 PolarHBondContact O-N 3.11Å |
| 69 | I | 83.5 | Confident | 81.5 | Confident | 17 Ų | 17 | 60 Ų | 60 | 9% | 0.087 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 117.8 | 176 | -66.2 | 155.5 | 0 | 0 | 0 | 108 | L71 I96 L127 L304 A305 | I69-L71 HydrophobicContact CG2-CD2 3.82Å; I69-I96 WeakPolarHBondContact O-CB 3.4Å; I69-L127 HydrophobicContact CG1-CD2 3.92Å; I69-L127 HydrophobicContact CG2-CD2 4.41Å; I69-L127 HydrophobicContact CG2-CG 4.37Å; I69-L304 HydrophobicContact CD1-CB 3.6Å; I69-L304 HydrophobicContact CG1-CB 4.4Å; I69-A305 VanDerWaalsContact CD1-CA 3.41Å; I69-A305 HydrophobicContact CD1-CB 3.87Å |
| 70 | F | 85 | Confident | 80.4 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 125.6 | 179.3 | -169.3 | -73.2 | 0 | 0 | 0 | 108.6 | F98 M111 F114 F120 L123 V125 L127 C128 L129 | F70-F98 AromaticContact CD1-CD2 3.79Å; F70-F98 HydrophobicContact CD1-CD2 3.79Å; F70-F98 HydrophobicContact CD1-CE2 4.32Å; F70-F98 AromaticContact CD2-CD2 3.54Å; F70-F98 HydrophobicContact CD2-CD2 3.54Å; F70-F98 AromaticContact CD2-CE2 3.25Å; F70-F98 HydrophobicContact CD2-CE2 3.25Å; F70-F98 HydrophobicContact CD2-CG 4.42Å; F70-F98 AromaticContact CD2-CZ 3.95Å; F70-F98 HydrophobicContact CD2-CZ 3.95Å; F70-F98 HydrophobicContact CE1-CB 3.99Å; F70-F98 AromaticContact CE1-CD2 3.51Å; F70-F98 HydrophobicContact CE1-CD2 3.51Å; F70-F98 HydrophobicContact CE1-CE2 4.27Å; F70-F98 AromaticContact CE1-CG 3.84Å; F70-F98 HydrophobicContact CE1-CG 3.84Å; F70-F98 HydrophobicContact CE2-CD1 4.05Å; F70-F98 AromaticContact CE2-CD2 3.25Å; F70-F98 HydrophobicContact CE2-CD2 3.25Å; F70-F98 AromaticContact CE2-CE1 4Å; F70-F98 HydrophobicContact CE2-CE1 4Å; F70-F98 AromaticContact CE2-CE2 3.19Å; F70-F98 HydrophobicContact CE2-CE2 3.19Å; F70-F98 AromaticContact CE2-CG 3.7Å; F70-F98 HydrophobicContact CE2-CG 3.7Å; F70-F98 AromaticContact CE2-CZ 3.59Å; F70-F98 HydrophobicContact CE2-CZ 3.59Å; F70-F98 AromaticContact CG-CD2 3.8Å; F70-F98 HydrophobicContact CG-CD2 3.8Å; F70-F98 AromaticContact CG-CE2 3.85Å; F70-F98 HydrophobicContact CG-CE2 3.85Å; F70-F98 HydrophobicContact CZ-CB 3.88Å; F70-F98 AromaticContact CZ-CD1 3.95Å; F70-F98 HydrophobicContact CZ-CD1 3.95Å; F70-F98 AromaticContact CZ-CD2 3.24Å; F70-F98 HydrophobicContact CZ-CD2 3.24Å; F70-F98 HydrophobicContact CZ-CE1 4.37Å; F70-F98 AromaticContact CZ-CE2 3.75Å; F70-F98 HydrophobicContact CZ-CE2 3.75Å; F70-F98 AromaticContact CZ-CG 3.36Å; F70-F98 HydrophobicContact CZ-CG 3.36Å; F70-F98 HydrophobicContact CZ-CZ 4.28Å; F70-M111 HydrophobicContact CE1-CE 3.79Å; F70-M111 HydrophobicContact CZ-CE 3.85Å; F70-M111 HydrophobicContact CZ-SD 4.31Å; F70-F114 AromaticContact CE2-CE1 3.95Å; F70-F114 HydrophobicContact CE2-CE1 3.95Å; F70-F114 HydrophobicContact CZ-CE1 4.09Å; F70-F120 AromaticContact CD2-CE2 3.97Å; F70-F120 HydrophobicContact CD2-CE2 3.97Å; F70-F120 AromaticContact CE2-CD2 3.87Å; F70-F120 HydrophobicContact CE2-CD2 3.87Å; F70-F120 AromaticContact CE2-CE2 3.49Å; F70-F120 HydrophobicContact CE2-CE2 3.49Å; F70-F120 VanDerWaalsContact CE2-CE2 3.49Å; F70-F120 HydrophobicContact CZ-CE2 4.18Å; F70-L123 HydrophobicContact CD2-CD1 3.93Å; F70-L123 HydrophobicContact CE2-CD1 3.84Å; F70-V125 HydrophobicContact CB-CG1 3.76Å; F70-V125 HydrophobicContact CB-CG2 4.16Å; F70-V125 HydrophobicContact CD2-CG2 3.76Å; F70-V125 HydrophobicContact CG-CG2 4.39Å; F70-L127 WeakPolarHBondContact CB-O 3.18Å; F70-L127 PolarHBondContact N-O 3.46Å; F70-C128 HydrophobicContact CB-CB 4.26Å; F70-C128 HydrophobicContact CD1-CB 4.21Å; F70-C128 CarbonylContact O-C 3.6Å; F70-C128 VanDerWaalsContact O-CA 3.23Å; F70-C128 WeakPolarHBondContact O-CA 2.93Å; F70-L129 PolarHBondContact O-N 3.2Å |
| 71 | L | 85.6 | Confident | 78.9 | Confident | 10 Ų | 10 | 59 Ų | 59 | 5% | 0.052 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 123.7 | 161.9 | -52.3 | -150.4 | 0 | 0 | 0 | 108.9 | I69 S95 I96 F98 L129 I301 | I69-L71 HydrophobicContact CG2-CD2 3.82Å; L71-S95 WeakPolarHBondContact CD1-OG 3.33Å; L71-I96 VanDerWaalsContact CB-O 3.27Å; L71-I96 WeakPolarHBondContact CB-O 3.14Å; L71-I96 PolarHBondContact N-O 3Å; L71-F98 PolarHBondContact O-N 2.9Å; L71-L129 HydrophobicContact CD2-CB 4.03Å; L71-L129 HydrophobicContact CD2-CD1 4.07Å; L71-L129 HydrophobicContact CD2-CG 4.14Å; L71-I301 HydrophobicContact CD1-CD1 3.82Å; L71-I301 HydrophobicContact CD1-CG1 4.14Å |
| 72 | S | 85.8 | Confident | 77 | Confident | 14 Ų | 14 | 63.8 Ų | 63.8 | 10% | 0.098 | 37% | 0.367 | C | S | . | . | trans | -89.6 | 150.4 | 174.4 | -170.7 | 0 | 0 | 0 | 0 | 110.6 | L129 D130 | S72-L129 PolarHBondContact N-O 2.9Å; S72-D130 WeakPolarHBondContact CB-OD1 3.43Å; S72-D130 PolarHBondContact OG-OD1 3.24Å; S72-D130 VanDerWaalsContact OG-OD1 3.07Å | ||
| 73 | S | 86.1 | Confident | 75.2 | Confident | 37 Ų | 37 | 63.6 Ų | 63.6 | 26% | 0.259 | 36% | 0.363 | S | S | . | . | trans | -167.3 | 154.4 | 173.6 | -170.6 | 0 | 0 | 0 | 0 | 107.7 | F98 V99 L100 | S73-F98 WeakPolarHBondContact CB-O 3.4Å; S73-F98 PolarHBondContact N-O 3.11Å; S73-V99 WeakPolarHBondContact O-CA 3.43Å; S73-L100 PolarHBondContact O-N 2.93Å | ||
| 74 | H | 86 | Confident | 73.1 | Confident | 45 Ų | 45 | 66.8 Ų | 66.8 | 21% | 0.208 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -112.8 | 157.3 | 175.8 | 56.5 | 102.6 | 0 | 0 | 0 | 110.9 | D76 L100 E103 | H74-D76 PolarHBondContact CE1-O 3.39Å; H74-D76 PolarHBondContact ND1-O 3.08Å; H74-L100 CarbonylContact C-O 3.24Å; H74-L100 WeakPolarHBondContact CA-O 3.27Å; H74-E103 HydrophobicContact CB-CB 3.6Å; H74-E103 HydrophobicContact CB-CG 4.33Å |
| 75 | M | 88.2 | Confident | 71 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.015 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -94.7 | -37.2 | 178.1 | -67.4 | -174.7 | -78.7 | 0 | 0 | 111.7 | T18 Y25 A28 I29 L32 P53 V99 L100 A101 | T18-M75 WeakPolarHBondContact CB-O 3.25Å; T18-M75 WeakPolarHBondContact CG2-O 3.45Å; T18-M75 PolarHBondContact OG1-O 3.25Å; Y25-M75 HydrophobicContact CD1-CB 3.88Å; Y25-M75 HydrophobicContact CD1-CE 3.72Å; Y25-M75 HydrophobicContact CD1-SD 4.25Å; Y25-M75 HydrophobicContact CE1-CB 4.06Å; Y25-M75 HydrophobicContact CE1-CE 4.4Å; Y25-M75 HydrophobicContact CG-CE 4.26Å; A28-M75 HydrophobicContact CB-CB 4.44Å; A28-M75 HydrophobicContact CB-CG 4.34Å; A28-M75 HydrophobicContact CB-SD 3.77Å; I29-M75 HydrophobicContact CD1-CE 4.04Å; I29-M75 HydrophobicContact CD1-SD 4.27Å; I29-M75 HydrophobicContact CG1-CE 4.02Å; I29-M75 HydrophobicContact CG1-SD 3.57Å; I29-M75 VanDerWaalsContact CG1-SD 3.57Å; L32-M75 HydrophobicContact CD1-CG 4.44Å; L32-M75 HydrophobicContact CD1-SD 4.44Å; P53-M75 WeakPolarHBondContact O-CE 3.47Å; M75-V99 HydrophobicContact CB-CG1 4.37Å; M75-V99 HydrophobicContact CG-CB 3.87Å; M75-V99 HydrophobicContact CG-CG1 3.37Å; M75-L100 WeakPolarHBondContact CB-O 3.15Å; M75-L100 WeakPolarHBondContact CG-O 3.24Å; M75-L100 PolarHBondContact N-O 3.39Å; M75-A101 HydrophobicContact CE-CB 4.03Å |
| 76 | D | 86.1 | Confident | 68.7 | Low | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 39% | 0.389 | C | S | . | . | trans | -77.1 | 154 | -177.4 | 44.8 | -51.1 | 0 | 0 | 0 | 113.5 | T18 H20 Y25 H74 A101 D102 E103 E104 | T18-D76 VanDerWaalsContact O-CA 3.24Å; T18-D76 WeakPolarHBondContact O-CA 3.31Å; H20-D76 IonicContact CD2-OD2 2.73Å; H20-D76 IonicContact CE1-OD2 2.66Å; H20-D76 IonicContact NE2-OD2 2.68Å; H20-D76 PolarHBondContact NE2-OD2 3.22Å; Y25-D76 HydrophobicContact CE1-CB 3.74Å; Y25-D76 WeakPolarHBondContact OH-CB 3.37Å; Y25-D76 PolarHBondContact OH-OD1 3.03Å; Y25-D76 PolarHBondContact OH-OD2 3.37Å; H74-D76 PolarHBondContact CE1-O 3.39Å; H74-D76 PolarHBondContact ND1-O 3.08Å; D76-A101 WeakPolarHBondContact OD1-CA 3.35Å; D76-D102 PolarHBondContact OD1-N 2.92Å; D76-D102 WeakPolarHBondContact OD2-CA 3.23Å; D76-D102 PolarHBondContact OD2-N 3.49Å; D76-E103 PolarHBondContact OD2-N 2.83Å; D76-E104 PolarHBondContact OD2-N 2.93Å | ||
| 77 | V | 82.1 | Confident | 66.2 | Low | 65 Ų | 65 | 76.8 Ų | 76.8 | 39% | 0.394 | 40% | 0.399 | S | S | . | . | B | Isolated β-bridge | trans | -135.3 | 157.5 | 176.9 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | T18 D19 H20 E104 | T18-V77 PolarHBondContact O-N 3.16Å; T18-V77 VanDerWaalsContact O-N 3.09Å; D19-V77 WeakPolarHBondContact CA-O 3.26Å; D19-V77 HydrophobicContact CB-CG2 3.96Å; H20-V77 PolarHBondContact N-O 3.26Å; V77-E104 WeakPolarHBondContact CA-OE1 3.09Å |
| 78 | V | 78 | Confident | 63.8 | Low | 44 Ų | 44 | 81.5 Ų | 81.5 | 27% | 0.267 | 41% | 0.414 | S | S | . | . | trans | -63.3 | 156.5 | 167.9 | -77.8 | 0 | 0 | 0 | 0 | 113.1 | A80 E104 H279 | V78-A80 PolarHBondContact O-N 2.96Å; V78-E104 WeakPolarHBondContact CG1-OE2 3.08Å; V78-E104 PolarHBondContact N-OE1 3.31Å; V78-H279 HydrophobicContact CG2-CB 3.57Å | ||
| 79 | P | 70.4 | Confident | 61.1 | Low | 78 Ų | 78 | 81.5 Ų | 81.5 | 51% | 0.506 | 41% | 0.412 | S | S | . | . | trans | -76.1 | 107 | 175.9 | -8.1 | 25.9 | 0 | 0 | 0 | 111.4 | H20 | H20-P79 WeakPolarHBondContact O-CG 3.19Š| ||
| 80 | A | 60.5 | Low | 58.7 | Low | 60 Ų | 60 | 80.8 Ų | 80.8 | 50% | 0.496 | 41% | 0.409 | S | S | . | . | trans | -62.7 | 141.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V78 L82 | V78-A80 PolarHBondContact O-N 2.96Å; A80-L82 PolarHBondContact O-N 3.3Å; A80-L82 VanDerWaalsContact O-N 3.1Å | ||
| 81 | L | 50.3 | Low | 56.2 | Low | 138 Ų | 138 | 82 Ų | 82 | 72% | 0.723 | 41% | 0.414 | S | S | * | . | trans | -71.6 | 104.3 | 177.3 | -69.1 | 173.8 | 0 | 0 | 0 | 111.1 | F83 H281 | L81-F83 PolarHBondContact O-N 2.89Å; L81-F83 VanDerWaalsContact O-N 3.16Å; L81-H281 HydrophobicContact CB-CB 4.24Å; L81-H281 VanDerWaalsContact O-CB 3.25Å; L81-H281 WeakPolarHBondContact O-CB 3.48Å | ||
| 82 | L | 38.2 | Very low | 53.9 | Low | 152 Ų | 152 | 82.8 Ų | 82.8 | 80% | 0.796 | 42% | 0.419 | S | S | * | . | trans | -49.1 | 107.3 | -169 | -71 | 167.3 | 0 | 0 | 0 | 116.6 | A80 | A80-L82 PolarHBondContact O-N 3.3Å; A80-L82 VanDerWaalsContact O-N 3.1Å | ||
| 83 | F | 37.7 | Very low | 51.5 | Low | 185 Ų | 185 | 84.5 Ų | 84.5 | 81% | 0.811 | 43% | 0.427 | S | S | * | . | trans | -147.7 | 108.5 | 152.5 | -89.7 | -68.5 | 0 | 0 | 0 | 114.5 | L81 | L81-F83 PolarHBondContact O-N 2.89Å; L81-F83 VanDerWaalsContact O-N 3.16Å | ||
| 84 | K | 36.1 | Very low | 49.2 | Very low | 195 Ų | 195 | 85.6 Ų | 85.6 | 85% | 0.848 | 43% | 0.43 | S | S | * | . | trans | 59.7 | 143.3 | 160 | -75.7 | -172.3 | 171.8 | -176.7 | 0 | 120.5 | ||||
| 85 | E | 30 | Very low | 47 | Very low | 183 Ų | 183 | 83.6 Ų | 83.6 | 86% | 0.855 | 42% | 0.421 | S | S | * | . | trans | -78.3 | 137.5 | -167.9 | -55.9 | 157.8 | 127.1 | 0 | 0 | 113.8 | ||||
| 86 | Y | 30.1 | Very low | 45.2 | Very low | 234 Ų | 234 | 84.9 Ų | 84.9 | 92% | 0.918 | 43% | 0.427 | S | S | * | . | trans | -140.1 | 155.7 | 157 | -76.4 | -80.2 | 0 | 0 | 0 | 109.8 | ||||
| 87 | S | 26.4 | Very low | 43.6 | Very low | 74 Ų | 74 | 88.9 Ų | 88.9 | 52% | 0.517 | 44% | 0.442 | S | S | . | . | trans | -154.2 | 149.7 | 172.6 | 72.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 88 | F | 28.9 | Very low | 42.6 | Very low | 151 Ų | 151 | 85.8 Ų | 85.8 | 66% | 0.662 | 42% | 0.424 | S | S | * | . | -140 | -105.7 | 129.5 | -133 | -97.2 | 0 | 0 | 0 | 112.6 | Q11 R15 | Q11-F88 VanDerWaalsContact CB-C 3.47Å; Q11-F88 WeakPolarHBondContact CB-O 3.32Å; R15-F88 VanDerWaalsContact CZ-O 3.28Å; R15-F88 PolarHBondContact NH1-O 3.44Å; R15-F88 VanDerWaalsContact NH1-O 3.11Å; R15-F88 PolarHBondContact NH2-O 2.88Å | |||
| 89 | D | 28 | Very low | 41.7 | Very low | 27 Ų | 27 | 84 Ų | 84 | 14% | 0.144 | 41% | 0.412 | C | S | . | . | trans | -159.2 | 157.3 | -161.4 | -114.1 | 48.5 | 0 | 0 | 0 | 113.6 | V7 A8 Q11 Q12 R15 | V7-D89 CarbonylContact C-O 3.48Å; V7-D89 VanDerWaalsContact C-O 3.27Å; V7-D89 WeakPolarHBondContact CA-O 3.37Å; V7-D89 WeakPolarHBondContact CG1-O 3.26Å; V7-D89 CarbonylContact O-C 2.9Å; V7-D89 VanDerWaalsContact O-CB 3.31Å; V7-D89 WeakPolarHBondContact O-CB 3.49Å; A8-D89 VanDerWaalsContact C-OD2 3.32Å; A8-D89 VanDerWaalsContact CA-CB 3.47Å; A8-D89 VanDerWaalsContact CA-OD2 3.27Å; A8-D89 WeakPolarHBondContact CA-OD2 3.38Å; A8-D89 CarbonylContact O-C 3.47Å; A8-D89 VanDerWaalsContact O-C 3.3Å; A8-D89 WeakPolarHBondContact O-CA 3.43Å; A8-D89 WeakPolarHBondContact O-CB 3.1Å; Q11-D89 VanDerWaalsContact CB-N 3.34Å; Q11-D89 WeakPolarHBondContact CG-O 3.3Å; Q11-D89 PolarHBondContact OE1-O 2.76Å; Q12-D89 VanDerWaalsContact CG-OD1 3.32Å; Q12-D89 WeakPolarHBondContact CG-OD1 3.19Å; Q12-D89 PolarHBondContact NE2-OD2 3.09Å; R15-D89 IonicContact CZ-OD1 3.52Å; R15-D89 IonicContact NH1-OD1 3.22Å; R15-D89 PolarHBondContact NH1-OD1 3.09Å; R15-D89 IonicContact NH2-OD1 3.61Å; R15-D89 PolarHBondContact NH2-OD1 3.03Å | ||
| 90 | G | 32.6 | Very low | 41.5 | Very low | 1 Ų | 1 | 80.2 Ų | 80.2 | 1% | 0.01 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -148.3 | -153.8 | -167.9 | 0 | 0 | 0 | 0 | 0 | 124 | C6 V7 A8 R9 F10 | C6-G90 CarbonylContact C-O 3.3Å; C6-G90 CarbonylContact O-C 3.4Å; V7-G90 VanDerWaalsContact CA-CA 3.43Å; V7-G90 PolarHBondContact N-O 3.08Å; A8-G90 CarbonylContact C-O 3.07Å; A8-G90 VanDerWaalsContact C-O 3.24Å; A8-G90 VanDerWaalsContact CA-N 3.32Å; A8-G90 WeakPolarHBondContact CA-O 3.41Å; A8-G90 PolarHBondContact N-O 3.36Å; A8-G90 PolarHBondContact O-N 3Å; R9-G90 WeakPolarHBondContact CA-O 3.27Å; R9-G90 PolarHBondContact N-O 2.77Å; F10-G90 VanDerWaalsContact N-N 3.13Å; F10-G90 PolarHBondContact N-O 2.74Å |
| 91 | K | 33.7 | Very low | 42.1 | Very low | 27 Ų | 27 | 77.4 Ų | 77.4 | 12% | 0.117 | 37% | 0.365 | C | S | . | . | trans | 65.2 | 103.2 | 170.6 | -46.4 | -169.2 | -172 | -160.2 | 0 | 128.7 | M1 C6 R9 F10 Y13 L32 Y290 | M1-K91 WeakPolarHBondContact CE-O 3.13Å; C6-K91 VanDerWaalsContact CA-C 3.48Å; C6-K91 WeakPolarHBondContact CA-O 3.29Å; C6-K91 PolarHBondContact O-N 2.65Å; R9-K91 HydrophobicContact CB-CB 3.77Å; R9-K91 HydrophobicContact CB-CD 4.35Å; R9-K91 HydrophobicContact CB-CG 4.01Å; F10-K91 HydrophobicContact CB-CB 4.24Å; F10-K91 HydrophobicContact CB-CD 4.27Å; F10-K91 HydrophobicContact CB-CG 3.27Å; Y13-K91 VanDerWaalsContact CG-NZ 3.31Å; L32-K91 VanDerWaalsContact CD2-NZ 3.31Å; K91-Y290 VanDerWaalsContact CA-OH 3.23Å; K91-Y290 WeakPolarHBondContact CA-OH 3.4Å; K91-Y290 PolarHBondContact N-OH 3.33Å | ||
| 92 | V | 36.3 | Very low | 43.5 | Very low | 25 Ų | 25 | 71.4 Ų | 71.4 | 15% | 0.152 | 33% | 0.333 | C | S | . | . | 29 | 147.9 | 112.7 | -148.4 | 0 | 0 | 0 | 0 | 123.9 | M1 W97 Y290 I294 | M1-V92 WeakPolarHBondContact CE-O 3.22Å; V92-W97 HydrophobicContact CG1-CZ2 4.37Å; V92-Y290 HydrophobicContact CG2-CE1 4.23Å; V92-Y290 VanDerWaalsContact CG2-OH 3.27Å; V92-Y290 WeakPolarHBondContact CG2-OH 3.33Å; V92-I294 HydrophobicContact CB-CD1 4.39Å; V92-I294 HydrophobicContact CB-CG1 4.06Å; V92-I294 HydrophobicContact CG1-CB 4.44Å; V92-I294 HydrophobicContact CG1-CG1 4.01Å; V92-I294 HydrophobicContact CG1-CG2 4.2Å; V92-I294 HydrophobicContact CG2-CD1 4.22Å; V92-I294 HydrophobicContact CG2-CG1 3.83Å | |||
| 93 | L | 35.9 | Very low | 45.6 | Very low | 50 Ų | 50 | 65 Ų | 65 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | trans | -140.1 | 158.5 | 151.6 | -94 | 167.1 | 0 | 0 | 0 | 108 | M1 F39 V298 | M1-L93 HydrophobicContact CB-CD1 4.24Å; M1-L93 HydrophobicContact CE-CD1 3.94Å; M1-L93 HydrophobicContact CE-CG 3.82Å; F39-L93 HydrophobicContact CD1-CD1 4.09Å; F39-L93 HydrophobicContact CD1-CD2 4.05Å; F39-L93 HydrophobicContact CD2-CD2 3.72Å; F39-L93 HydrophobicContact CD2-CG 4.49Å; F39-L93 HydrophobicContact CE1-CD1 3.75Å; F39-L93 HydrophobicContact CE1-CD2 4.22Å; F39-L93 HydrophobicContact CE1-CG 4.23Å; F39-L93 HydrophobicContact CE2-CD2 3.88Å; F39-L93 HydrophobicContact CE2-CG 4.18Å; F39-L93 HydrophobicContact CG-CD2 3.83Å; F39-L93 HydrophobicContact CZ-CD1 4.03Å; F39-L93 HydrophobicContact CZ-CD2 4.15Å; F39-L93 HydrophobicContact CZ-CG 4.07Å; L93-V298 WeakPolarHBondContact O-CG2 3.26Å | ||
| 94 | L | 38 | Very low | 47.5 | Very low | 61 Ų | 61 | 58.2 Ų | 58.2 | 32% | 0.319 | 27% | 0.27 | S | S | . | . | cis | -159.3 | 140 | 1 | 168.4 | 62.3 | 0 | 0 | 0 | 109.3 | L41 L59 I301 | L41-L94 HydrophobicContact CD1-CD1 3.64Å; L41-L94 HydrophobicContact CD2-CD1 4.07Å; L41-L94 HydrophobicContact CG-CD1 4.47Å; L59-L94 HydrophobicContact CD1-CD2 4.21Å; L59-L94 HydrophobicContact CD2-CD2 3.98Å; L59-L94 HydrophobicContact CD2-CG 4.07Å; L94-I301 WeakPolarHBondContact O-CD1 3.31Å | ||
| 95 | S | 40.8 | Very low | 49.4 | Very low | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -161.2 | -179.2 | -178.7 | -13.3 | 0 | 0 | 0 | 0 | 112.7 | L71 W97 I301 | L71-S95 WeakPolarHBondContact CD1-OG 3.33Å; S95-W97 VanDerWaalsContact CB-NE1 3.35Å; S95-W97 PolarHBondContact OG-NE1 2.94Å; S95-I301 VanDerWaalsContact OG-CD1 3.23Å; S95-I301 WeakPolarHBondContact OG-CD1 2.84Å |
| 96 | I | 49.6 | Very low | 51.7 | Low | 29 Ų | 29 | 45.3 Ų | 45.3 | 15% | 0.149 | 23% | 0.225 | C | C | . | . | trans | -79.8 | 112 | 152.8 | -57.4 | -177.6 | 0 | 0 | 0 | 107 | L56 V57 I69 L71 F98 | L56-I96 HydrophobicContact CD1-CG2 4.22Å; V57-I96 WeakPolarHBondContact O-CA 3.31Å; V57-I96 WeakPolarHBondContact O-CG2 3.23Å; I69-I96 WeakPolarHBondContact O-CB 3.4Å; L71-I96 VanDerWaalsContact CB-O 3.27Å; L71-I96 WeakPolarHBondContact CB-O 3.14Å; L71-I96 PolarHBondContact N-O 3Å; I96-F98 HydrophobicContact CG2-CD2 4.36Å; I96-F98 HydrophobicContact CG2-CE2 3.68Å; I96-F98 HydrophobicContact CG2-CZ 4.36Å | ||
| 97 | W | 52.8 | Low | 54.2 | Low | 84 Ų | 84 | 34.2 Ų | 34.2 | 32% | 0.318 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127.1 | -179.9 | -70.9 | 65.5 | 0 | 0 | 0 | 110.1 | V57 V92 S95 | V57-W97 HydrophobicContact CB-CB 4.42Å; V57-W97 PolarHBondContact N-O 2.94Å; V57-W97 PolarHBondContact O-N 3.01Å; V57-W97 VanDerWaalsContact O-N 3.16Å; V92-W97 HydrophobicContact CG1-CZ2 4.37Å; S95-W97 VanDerWaalsContact CB-NE1 3.35Å; S95-W97 PolarHBondContact OG-NE1 2.94Å |
| 98 | F | 60.3 | Low | 56.9 | Low | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 134.2 | 153.9 | -67.4 | -89.5 | 0 | 0 | 0 | 107.8 | I54 L55 L56 F70 L71 S73 I96 L100 F114 L123 | I54-F98 HydrophobicContact CG2-CD1 4.18Å; L55-F98 WeakPolarHBondContact O-CA 3.42Å; L56-F98 HydrophobicContact CB-CD1 4.27Å; L56-F98 HydrophobicContact CB-CE1 3.74Å; L56-F98 HydrophobicContact CB-CZ 4.41Å; L56-F98 HydrophobicContact CD1-CD1 4.47Å; L56-F98 HydrophobicContact CD1-CE1 3.58Å; L56-F98 HydrophobicContact CD1-CE2 4.07Å; L56-F98 HydrophobicContact CD1-CZ 3.33Å; L56-F98 HydrophobicContact CD2-CE1 4.2Å; L56-F98 HydrophobicContact CD2-CZ 4.35Å; L56-F98 HydrophobicContact CG-CE1 4Å; L56-F98 HydrophobicContact CG-CZ 4.2Å; F70-F98 AromaticContact CD1-CD2 3.79Å; F70-F98 HydrophobicContact CD1-CD2 3.79Å; F70-F98 HydrophobicContact CD1-CE2 4.32Å; F70-F98 AromaticContact CD2-CD2 3.54Å; F70-F98 HydrophobicContact CD2-CD2 3.54Å; F70-F98 AromaticContact CD2-CE2 3.25Å; F70-F98 HydrophobicContact CD2-CE2 3.25Å; F70-F98 HydrophobicContact CD2-CG 4.42Å; F70-F98 AromaticContact CD2-CZ 3.95Å; F70-F98 HydrophobicContact CD2-CZ 3.95Å; F70-F98 HydrophobicContact CE1-CB 3.99Å; F70-F98 AromaticContact CE1-CD2 3.51Å; F70-F98 HydrophobicContact CE1-CD2 3.51Å; F70-F98 HydrophobicContact CE1-CE2 4.27Å; F70-F98 AromaticContact CE1-CG 3.84Å; F70-F98 HydrophobicContact CE1-CG 3.84Å; F70-F98 HydrophobicContact CE2-CD1 4.05Å; F70-F98 AromaticContact CE2-CD2 3.25Å; F70-F98 HydrophobicContact CE2-CD2 3.25Å; F70-F98 AromaticContact CE2-CE1 4Å; F70-F98 HydrophobicContact CE2-CE1 4Å; F70-F98 AromaticContact CE2-CE2 3.19Å; F70-F98 HydrophobicContact CE2-CE2 3.19Å; F70-F98 AromaticContact CE2-CG 3.7Å; F70-F98 HydrophobicContact CE2-CG 3.7Å; F70-F98 AromaticContact CE2-CZ 3.59Å; F70-F98 HydrophobicContact CE2-CZ 3.59Å; F70-F98 AromaticContact CG-CD2 3.8Å; F70-F98 HydrophobicContact CG-CD2 3.8Å; F70-F98 AromaticContact CG-CE2 3.85Å; F70-F98 HydrophobicContact CG-CE2 3.85Å; F70-F98 HydrophobicContact CZ-CB 3.88Å; F70-F98 AromaticContact CZ-CD1 3.95Å; F70-F98 HydrophobicContact CZ-CD1 3.95Å; F70-F98 AromaticContact CZ-CD2 3.24Å; F70-F98 HydrophobicContact CZ-CD2 3.24Å; F70-F98 HydrophobicContact CZ-CE1 4.37Å; F70-F98 AromaticContact CZ-CE2 3.75Å; F70-F98 HydrophobicContact CZ-CE2 3.75Å; F70-F98 AromaticContact CZ-CG 3.36Å; F70-F98 HydrophobicContact CZ-CG 3.36Å; F70-F98 HydrophobicContact CZ-CZ 4.28Å; L71-F98 PolarHBondContact O-N 2.9Å; S73-F98 WeakPolarHBondContact CB-O 3.4Å; S73-F98 PolarHBondContact N-O 3.11Å; I96-F98 HydrophobicContact CG2-CD2 4.36Å; I96-F98 HydrophobicContact CG2-CE2 3.68Å; I96-F98 HydrophobicContact CG2-CZ 4.36Å; F98-L100 HydrophobicContact CB-CD1 4.39Å; F98-L100 HydrophobicContact CB-CG 4.37Å; F98-F114 AromaticContact CD1-CE1 3.55Å; F98-F114 HydrophobicContact CD1-CE1 3.55Å; F98-F114 HydrophobicContact CD1-CZ 4.01Å; F98-F114 AromaticContact CE1-CE1 3.45Å; F98-F114 HydrophobicContact CE1-CE1 3.45Å; F98-F114 VanDerWaalsContact CE1-CE1 3.45Å; F98-F114 AromaticContact CE1-CZ 3.47Å; F98-F114 HydrophobicContact CE1-CZ 3.47Å; F98-F114 VanDerWaalsContact CE1-CZ 3.47Å; F98-F114 HydrophobicContact CG-CE1 4.43Å; F98-F114 HydrophobicContact CZ-CE1 4.28Å; F98-F114 HydrophobicContact CZ-CZ 4.28Å; F98-L123 HydrophobicContact CE1-CD1 4.06Å; F98-L123 HydrophobicContact CE2-CD1 4.05Å; F98-L123 HydrophobicContact CZ-CD1 3.35Å; F98-L123 HydrophobicContact CZ-CD2 3.93Å; F98-L123 HydrophobicContact CZ-CG 4.29Å |
| 99 | V | 59.8 | Low | 59.6 | Low | 5 Ų | 5 | 31.7 Ų | 31.7 | 3% | 0.03 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 111.6 | 163.8 | -146.6 | 0 | 0 | 0 | 0 | 107.5 | L32 L55 S73 M75 | L32-V99 HydrophobicContact CD1-CB 3.88Å; L32-V99 HydrophobicContact CD1-CG1 4.08Å; L32-V99 HydrophobicContact CD1-CG2 3.73Å; L32-V99 HydrophobicContact CD2-CG2 4.47Å; L55-V99 PolarHBondContact N-O 3.45Å; L55-V99 VanDerWaalsContact N-O 3.15Å; L55-V99 PolarHBondContact O-N 3.25Å; L55-V99 VanDerWaalsContact O-N 3.09Å; S73-V99 WeakPolarHBondContact O-CA 3.43Å; M75-V99 HydrophobicContact CB-CG1 4.37Å; M75-V99 HydrophobicContact CG-CB 3.87Å; M75-V99 HydrophobicContact CG-CG1 3.37Å |
| 100 | L | 65.9 | Low | 62.3 | Low | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -97.7 | 160.4 | -167.7 | -68.6 | 155.6 | 0 | 0 | 0 | 110.3 | I54 S73 H74 M75 F98 M111 F114 D254 | I54-L100 HydrophobicContact CB-CD2 4.26Å; I54-L100 HydrophobicContact CD1-CD2 3.63Å; I54-L100 HydrophobicContact CG1-CD2 3.78Å; I54-L100 HydrophobicContact CG2-CD2 3.61Å; I54-L100 HydrophobicContact CG2-CG 4.49Å; S73-L100 PolarHBondContact O-N 2.93Å; H74-L100 CarbonylContact C-O 3.24Å; H74-L100 WeakPolarHBondContact CA-O 3.27Å; M75-L100 WeakPolarHBondContact CB-O 3.15Å; M75-L100 WeakPolarHBondContact CG-O 3.24Å; M75-L100 PolarHBondContact N-O 3.39Å; F98-L100 HydrophobicContact CB-CD1 4.39Å; F98-L100 HydrophobicContact CB-CG 4.37Å; L100-M111 HydrophobicContact CD1-CB 4.36Å; L100-M111 HydrophobicContact CD1-CE 3.38Å; L100-M111 HydrophobicContact CD1-SD 4.03Å; L100-F114 HydrophobicContact CD2-CD1 4.28Å; L100-D254 WeakPolarHBondContact CD1-OD2 3.36Å |
| 101 | A | 73.4 | Confident | 64.8 | Low | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -107.6 | 153.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y25 K52 M75 D76 | Y25-A101 HydrophobicContact CD1-CB 3.92Å; Y25-A101 HydrophobicContact CD2-CB 4.08Å; Y25-A101 HydrophobicContact CE1-CB 3.52Å; Y25-A101 HydrophobicContact CE2-CB 3.68Å; Y25-A101 HydrophobicContact CG-CB 4.19Å; K52-A101 HydrophobicContact CB-CB 4.16Å; M75-A101 HydrophobicContact CE-CB 4.03Å; D76-A101 WeakPolarHBondContact OD1-CA 3.35Å |
| 102 | D | 78.6 | Confident | 67.3 | Low | 11 Ų | 11 | 29.8 Ų | 29.8 | 6% | 0.059 | 16% | 0.16 | C | C | . | . | trans | 89.5 | 5.4 | 166 | -149.4 | 60.1 | 0 | 0 | 0 | 116.4 | Y25 K52 D76 V105 G106 S107 | Y25-D102 PolarHBondContact OH-N 2.99Å; K52-D102 HydrophobicContact CD-CB 3.93Å; K52-D102 VanDerWaalsContact CE-CG 3.44Å; K52-D102 WeakPolarHBondContact CE-OD1 3.41Å; K52-D102 HydrophobicContact CG-CB 4.5Å; K52-D102 IonicContact NZ-OD1 2.67Å; K52-D102 PolarHBondContact NZ-OD1 3.04Å; K52-D102 IonicContact NZ-OD2 2.68Å; K52-D102 PolarHBondContact NZ-OD2 3.18Å; D76-D102 PolarHBondContact OD1-N 2.92Å; D76-D102 WeakPolarHBondContact OD2-CA 3.23Å; D76-D102 PolarHBondContact OD2-N 3.49Å; D102-V105 HydrophobicContact CB-CG2 4.32Å; D102-V105 CarbonylContact O-C 3.44Å; D102-V105 VanDerWaalsContact O-CG2 3.32Å; D102-V105 WeakPolarHBondContact O-CG2 3.49Å; D102-V105 PolarHBondContact O-N 2.88Å; D102-V105 WeakPolarHBondContact OD1-CG2 3.46Å; D102-G106 PolarHBondContact O-N 3.44Å; D102-S107 WeakPolarHBondContact O-CA 3.17Å; D102-S107 PolarHBondContact O-N 2.81Å | ||
| 103 | E | 83.5 | Confident | 69.7 | Low | 18 Ų | 18 | 32 Ų | 32 | 8% | 0.084 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -62.1 | -50.3 | -173.7 | -148.7 | -52.2 | 121.9 | 0 | 0 | 111.9 | H74 D76 V105 G106 D254 R256 | H74-E103 HydrophobicContact CB-CB 3.6Å; H74-E103 HydrophobicContact CB-CG 4.33Å; D76-E103 PolarHBondContact OD2-N 2.83Å; E103-V105 PolarHBondContact O-N 3.22Å; E103-G106 WeakPolarHBondContact O-CA 3.34Å; E103-G106 PolarHBondContact O-N 3.04Å; E103-D254 HydrophobicContact CG-CB 4.32Å; E103-R256 IonicContact OE1-CZ 2.74Å; E103-R256 IonicContact OE1-NH1 2.74Å; E103-R256 PolarHBondContact OE1-NH1 3.01Å; E103-R256 IonicContact OE1-NH2 3.05Å; E103-R256 PolarHBondContact OE1-NH2 2.74Å |
| 104 | E | 76.9 | Confident | 72.2 | Confident | 42 Ų | 42 | 29.7 Ų | 29.7 | 20% | 0.196 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -60.8 | -10.3 | -178.3 | -71.4 | -88.8 | -132.6 | 0 | 0 | 114.1 | D76 V77 V78 H279 | D76-E104 PolarHBondContact OD2-N 2.93Å; V77-E104 WeakPolarHBondContact CA-OE1 3.09Å; V78-E104 WeakPolarHBondContact CG1-OE2 3.08Å; V78-E104 PolarHBondContact N-OE1 3.31Å; E104-H279 IonicContact OE1-CE1 2.76Å; E104-H279 IonicContact OE1-NE2 3.97Å; E104-H279 IonicContact OE2-CE1 2.66Å; E104-H279 PolarHBondContact OE2-CE1 2.96Å; E104-H279 IonicContact OE2-ND1 3.84Å; E104-H279 IonicContact OE2-NE2 2.74Å |
| 105 | V | 77.1 | Confident | 74.6 | Confident | 83 Ų | 83 | 27.3 Ų | 27.3 | 50% | 0.503 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -121 | 14.9 | 174.8 | -63.2 | 0 | 0 | 0 | 0 | 113.2 | D102 E103 | D102-V105 HydrophobicContact CB-CG2 4.32Å; D102-V105 CarbonylContact O-C 3.44Å; D102-V105 VanDerWaalsContact O-CG2 3.32Å; D102-V105 WeakPolarHBondContact O-CG2 3.49Å; D102-V105 PolarHBondContact O-N 2.88Å; D102-V105 WeakPolarHBondContact OD1-CG2 3.46Å; E103-V105 PolarHBondContact O-N 3.22Å |
| 106 | G | 76.6 | Confident | 76.9 | Confident | 25 Ų | 25 | 33.5 Ų | 33.5 | 26% | 0.258 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 111.2 | 1.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | D102 E103 I108 R256 Y257 | D102-G106 PolarHBondContact O-N 3.44Å; E103-G106 WeakPolarHBondContact O-CA 3.34Å; E103-G106 PolarHBondContact O-N 3.04Å; G106-I108 PolarHBondContact O-N 3.3Å; G106-R256 PolarHBondContact O-NH2 3.49Å; G106-Y257 PolarHBondContact O-OH 3Å |
| 107 | S | 84 | Confident | 78.8 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 51.3 | 9.4 | 176.3 | -140.4 | 0 | 0 | 0 | 0 | 117.9 | D102 E109 G110 M111 G112 D254 | D102-S107 WeakPolarHBondContact O-CA 3.17Å; D102-S107 PolarHBondContact O-N 2.81Å; S107-E109 PolarHBondContact O-N 3.35Å; S107-E109 VanDerWaalsContact O-N 3.15Å; S107-G110 CarbonylContact O-C 3.56Å; S107-G110 PolarHBondContact O-N 2.66Å; S107-M111 PolarHBondContact O-N 3.42Å; S107-M111 VanDerWaalsContact O-N 3.16Å; S107-M111 WeakPolarHBondContact OG-CB 3.27Å; S107-M111 PolarHBondContact OG-N 2.76Å; S107-G112 PolarHBondContact O-N 3.11Å; S107-D254 WeakPolarHBondContact CB-OD1 3.26Å; S107-D254 PolarHBondContact OG-OD1 3Å; S107-D254 PolarHBondContact OG-OD2 3.35Å |
| 108 | I | 82.9 | Confident | 80.4 | Confident | 107 Ų | 107 | 33.7 Ų | 33.7 | 55% | 0.549 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -40.6 | -176.6 | -58.2 | 175.8 | 0 | 0 | 0 | 111.1 | G106 G112 K113 | G106-I108 PolarHBondContact O-N 3.3Å; I108-G112 CarbonylContact O-C 3.55Å; I108-K113 PolarHBondContact O-N 3.23Å |
| 109 | E | 84.6 | Confident | 81.5 | Confident | 66 Ų | 66 | 37.2 Ų | 37.2 | 31% | 0.308 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -9.6 | -176.9 | -63.2 | -79.9 | 105 | 0 | 0 | 113.3 | T49 K52 S107 K113 | T49-E109 HydrophobicContact CG2-CB 4.14Å; T49-E109 VanDerWaalsContact CG2-OE2 3.26Å; T49-E109 WeakPolarHBondContact CG2-OE2 3.17Å; T49-E109 PolarHBondContact OG1-O 3.22Å; K52-E109 HydrophobicContact CD-CB 3.55Å; S107-E109 PolarHBondContact O-N 3.35Å; S107-E109 VanDerWaalsContact O-N 3.15Å; E109-K113 WeakPolarHBondContact OE1-CE 3.34Å; E109-K113 IonicContact OE1-NZ 2.99Å; E109-K113 PolarHBondContact OE1-NZ 2.96Å; E109-K113 IonicContact OE2-NZ 2.86Å; E109-K113 PolarHBondContact OE2-NZ 2.78Å |
| 110 | G | 84.6 | Confident | 82.8 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -103.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S107 G112 K113 F114 | S107-G110 CarbonylContact O-C 3.56Å; S107-G110 PolarHBondContact O-N 2.66Å; G110-G112 VanDerWaalsContact C-N 3.32Å; G110-G112 PolarHBondContact O-N 3.35Å; G110-K113 PolarHBondContact O-N 2.8Å; G110-F114 WeakPolarHBondContact O-CB 3.32Å; G110-F114 PolarHBondContact O-N 2.74Å |
| 111 | M | 85.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58 | -42 | 179.2 | -175.5 | 67 | 98.6 | 0 | 0 | 112.7 | F70 L100 S107 K113 F114 V115 D254 Y257 L258 | F70-M111 HydrophobicContact CE1-CE 3.79Å; F70-M111 HydrophobicContact CZ-CE 3.85Å; F70-M111 HydrophobicContact CZ-SD 4.31Å; L100-M111 HydrophobicContact CD1-CB 4.36Å; L100-M111 HydrophobicContact CD1-CE 3.38Å; L100-M111 HydrophobicContact CD1-SD 4.03Å; S107-M111 PolarHBondContact O-N 3.42Å; S107-M111 VanDerWaalsContact O-N 3.16Å; S107-M111 WeakPolarHBondContact OG-CB 3.27Å; S107-M111 PolarHBondContact OG-N 2.76Å; M111-K113 PolarHBondContact O-N 2.7Å; M111-K113 VanDerWaalsContact O-N 3.15Å; M111-F114 PolarHBondContact O-N 2.83Å; M111-F114 HydrophobicContact SD-CD1 4.16Å; M111-V115 HydrophobicContact CG-CG1 4.06Å; M111-V115 PolarHBondContact O-N 2.92Å; M111-V115 HydrophobicContact SD-CG1 3.81Å; M111-D254 HydrophobicContact CB-CB 4.36Å; M111-D254 VanDerWaalsContact CB-CG 3.42Å; M111-D254 WeakPolarHBondContact CB-OD1 3.36Å; M111-D254 HydrophobicContact CE-CB 3.83Å; M111-D254 HydrophobicContact CG-CB 4.22Å; M111-Y257 HydrophobicContact CB-CD2 3.86Å; M111-Y257 HydrophobicContact CG-CD2 3.77Å; M111-Y257 HydrophobicContact CG-CG 4.12Å; M111-L258 HydrophobicContact CE-CD1 3.87Å; M111-L258 HydrophobicContact CE-CD2 3.76Å; M111-L258 HydrophobicContact CG-CD1 4.4Å; M111-L258 HydrophobicContact SD-CD1 3.68Å |
| 112 | G | 86.5 | Confident | 84.3 | Confident | 13 Ų | 13 | 49 Ų | 49 | 13% | 0.134 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.1 | -31.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S107 I108 G110 | S107-G112 PolarHBondContact O-N 3.11Å; I108-G112 CarbonylContact O-C 3.55Å; G110-G112 VanDerWaalsContact C-N 3.32Å; G110-G112 PolarHBondContact O-N 3.35Å |
| 113 | K | 87.4 | Confident | 84.4 | Confident | 73 Ų | 73 | 49.8 Ų | 49.8 | 32% | 0.317 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -85.5 | -37.8 | 168.5 | -80.3 | -179.4 | -178.6 | 169.6 | 0 | 113.3 | T49 I108 E109 G110 M111 V115 E116 | T49-K113 VanDerWaalsContact OG1-CD 3.25Å; T49-K113 WeakPolarHBondContact OG1-CD 3.14Å; T49-K113 PolarHBondContact OG1-NZ 3.48Å; I108-K113 PolarHBondContact O-N 3.23Å; E109-K113 WeakPolarHBondContact OE1-CE 3.34Å; E109-K113 IonicContact OE1-NZ 2.99Å; E109-K113 PolarHBondContact OE1-NZ 2.96Å; E109-K113 IonicContact OE2-NZ 2.86Å; E109-K113 PolarHBondContact OE2-NZ 2.78Å; G110-K113 PolarHBondContact O-N 2.8Å; M111-K113 PolarHBondContact O-N 2.7Å; M111-K113 VanDerWaalsContact O-N 3.15Å; K113-V115 VanDerWaalsContact C-N 3.28Å; K113-V115 PolarHBondContact O-N 3.24Å; K113-E116 WeakPolarHBondContact O-CB 3.35Å; K113-E116 PolarHBondContact O-N 3.07Å; K113-E116 VanDerWaalsContact O-N 3.1Å |
| 114 | F | 87.2 | Confident | 84.3 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.4 | -39.3 | -177.2 | -176.3 | -140.6 | 0 | 0 | 0 | 112.3 | L46 F48 I54 F70 F98 L100 G110 M111 E116 T117 E119 F120 L123 | L46-F114 HydrophobicContact CD1-CE2 3.88Å; L46-F114 HydrophobicContact CD1-CZ 4.31Å; F48-F114 HydrophobicContact CD2-CD2 4.17Å; F48-F114 AromaticContact CE2-CD2 3.45Å; F48-F114 HydrophobicContact CE2-CD2 3.45Å; F48-F114 VanDerWaalsContact CE2-CD2 3.45Å; F48-F114 AromaticContact CE2-CE2 3.93Å; F48-F114 HydrophobicContact CE2-CE2 3.93Å; F48-F114 HydrophobicContact CE2-CG 4.4Å; F48-F114 HydrophobicContact CZ-CD2 4.05Å; F48-F114 HydrophobicContact CZ-CE2 4.27Å; I54-F114 HydrophobicContact CD1-CB 3.6Å; I54-F114 HydrophobicContact CD1-CD1 4.09Å; I54-F114 HydrophobicContact CD1-CD2 4.07Å; I54-F114 HydrophobicContact CD1-CG 3.65Å; F70-F114 AromaticContact CE2-CE1 3.95Å; F70-F114 HydrophobicContact CE2-CE1 3.95Å; F70-F114 HydrophobicContact CZ-CE1 4.09Å; F98-F114 AromaticContact CD1-CE1 3.55Å; F98-F114 HydrophobicContact CD1-CE1 3.55Å; F98-F114 HydrophobicContact CD1-CZ 4.01Å; F98-F114 AromaticContact CE1-CE1 3.45Å; F98-F114 HydrophobicContact CE1-CE1 3.45Å; F98-F114 VanDerWaalsContact CE1-CE1 3.45Å; F98-F114 AromaticContact CE1-CZ 3.47Å; F98-F114 HydrophobicContact CE1-CZ 3.47Å; F98-F114 VanDerWaalsContact CE1-CZ 3.47Å; F98-F114 HydrophobicContact CG-CE1 4.43Å; F98-F114 HydrophobicContact CZ-CE1 4.28Å; F98-F114 HydrophobicContact CZ-CZ 4.28Å; L100-F114 HydrophobicContact CD2-CD1 4.28Å; G110-F114 WeakPolarHBondContact O-CB 3.32Å; G110-F114 PolarHBondContact O-N 2.74Å; M111-F114 PolarHBondContact O-N 2.83Å; M111-F114 HydrophobicContact SD-CD1 4.16Å; F114-E116 PolarHBondContact O-N 2.74Å; F114-E116 VanDerWaalsContact O-N 3.13Å; F114-T117 HydrophobicContact CD2-CG2 4.31Å; F114-T117 WeakPolarHBondContact CD2-OG1 3.33Å; F114-T117 WeakPolarHBondContact O-CB 3.38Å; F114-T117 WeakPolarHBondContact O-CG2 3.44Å; F114-T117 PolarHBondContact O-N 3.19Å; F114-T117 PolarHBondContact O-OG1 3.2Å; F114-E119 HydrophobicContact CE2-CB 4.42Å; F114-F120 HydrophobicContact CD1-CD2 4.01Å; F114-F120 HydrophobicContact CD2-CB 4.13Å; F114-F120 AromaticContact CE1-CD2 3.75Å; F114-F120 HydrophobicContact CE1-CD2 3.75Å; F114-F120 HydrophobicContact CE2-CB 3.88Å; F114-F120 HydrophobicContact CZ-CB 4.1Å; F114-F120 HydrophobicContact CZ-CD2 4.03Å; F114-F120 WeakPolarHBondContact O-CB 3.42Å; F114-L123 HydrophobicContact CZ-CD1 4.1Å |
| 115 | V | 88.4 | Confident | 84.5 | Confident | 11 Ų | 11 | 51 Ų | 51 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -12.3 | 178.3 | -60.1 | 0 | 0 | 0 | 0 | 114.8 | M111 K113 F120 L258 K261 | M111-V115 HydrophobicContact CG-CG1 4.06Å; M111-V115 PolarHBondContact O-N 2.92Å; M111-V115 HydrophobicContact SD-CG1 3.81Å; K113-V115 VanDerWaalsContact C-N 3.28Å; K113-V115 PolarHBondContact O-N 3.24Å; V115-F120 HydrophobicContact CB-CD1 4.31Å; V115-F120 HydrophobicContact CB-CE1 4.22Å; V115-F120 HydrophobicContact CG1-CE1 4.19Å; V115-F120 HydrophobicContact CG1-CE2 4.17Å; V115-F120 HydrophobicContact CG1-CZ 4.02Å; V115-L258 HydrophobicContact CG1-CD1 3.35Å; V115-K261 HydrophobicContact CB-CG 4.08Å; V115-K261 HydrophobicContact CG2-CG 4.18Å |
| 116 | E | 89.9 | Confident | 84.5 | Confident | 133 Ų | 133 | 47.6 Ų | 47.6 | 62% | 0.621 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -3.9 | 173.6 | -55.5 | -69.9 | -169.9 | 0 | 0 | 112.9 | K113 F114 K261 | K113-E116 WeakPolarHBondContact O-CB 3.35Å; K113-E116 PolarHBondContact O-N 3.07Å; K113-E116 VanDerWaalsContact O-N 3.1Å; F114-E116 PolarHBondContact O-N 2.74Å; F114-E116 VanDerWaalsContact O-N 3.13Å; E116-K261 IonicContact OE1-NZ 3.82Å; E116-K261 PolarHBondContact OE1-NZ 3.44Å; E116-K261 IonicContact OE2-NZ 3.74Å; E116-K261 PolarHBondContact OE2-NZ 3Å |
| 117 | T | 88 | Confident | 84.9 | Confident | 21 Ų | 21 | 46.4 Ų | 46.4 | 13% | 0.129 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -86.5 | 148.8 | -171.4 | 66.7 | 0 | 0 | 0 | 0 | 113 | F48 F114 E119 F120 R121 | F48-T117 HydrophobicContact CD1-CG2 3.67Å; F48-T117 HydrophobicContact CD2-CG2 4.26Å; F48-T117 HydrophobicContact CE1-CG2 3.48Å; F48-T117 VanDerWaalsContact CE1-CG2 3.48Å; F48-T117 HydrophobicContact CE2-CG2 4.1Å; F48-T117 HydrophobicContact CG-CG2 4.06Å; F48-T117 HydrophobicContact CZ-CG2 3.71Å; F114-T117 HydrophobicContact CD2-CG2 4.31Å; F114-T117 WeakPolarHBondContact CD2-OG1 3.33Å; F114-T117 WeakPolarHBondContact O-CB 3.38Å; F114-T117 WeakPolarHBondContact O-CG2 3.44Å; F114-T117 PolarHBondContact O-N 3.19Å; F114-T117 PolarHBondContact O-OG1 3.2Å; T117-E119 PolarHBondContact O-N 3.18Å; T117-F120 PolarHBondContact O-N 2.92Å; T117-F120 VanDerWaalsContact OG1-CB 3.29Å; T117-F120 WeakPolarHBondContact OG1-CB 3.46Å; T117-F120 PolarHBondContact OG1-N 3.36Å; T117-R121 PolarHBondContact O-N 2.67Å |
| 118 | E | 87.5 | Confident | 85 | Confident | 96 Ų | 96 | 46.4 Ų | 46.4 | 45% | 0.449 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64 | -33.6 | 170.2 | 179.5 | 64.1 | -175.5 | 0 | 0 | 110.4 | F120 R121 L122 | E118-F120 PolarHBondContact O-N 2.89Å; E118-R121 PolarHBondContact O-N 3.07Å; E118-R121 IonicContact OE1-CZ 3.98Å; E118-R121 IonicContact OE1-NE 2.95Å; E118-R121 PolarHBondContact OE1-NE 3.3Å; E118-R121 IonicContact OE1-NH2 2.72Å; E118-R121 PolarHBondContact OE1-NH2 2.59Å; E118-R121 IonicContact OE2-CZ 2.64Å; E118-R121 IonicContact OE2-NE 3.51Å; E118-R121 PolarHBondContact OE2-NE 2.8Å; E118-R121 IonicContact OE2-NH2 3.53Å; E118-L122 HydrophobicContact CG-CD1 3.95Å; E118-L122 HydrophobicContact CG-CG 4.32Å; E118-L122 WeakPolarHBondContact O-CB 3.29Å; E118-L122 WeakPolarHBondContact O-CG 3.39Å; E118-L122 PolarHBondContact O-N 3.16Å |
| 119 | E | 84 | Confident | 85 | Confident | 75 Ų | 75 | 41.6 Ų | 41.6 | 35% | 0.35 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -56 | -45.8 | 171.7 | -71.6 | 80.4 | 176 | 0 | 0 | 112.7 | L46 F48 F114 T117 | L46-E119 HydrophobicContact CD1-CB 4.44Å; F48-E119 HydrophobicContact CZ-CB 4.24Å; F48-E119 HydrophobicContact CZ-CG 4.25Å; F114-E119 HydrophobicContact CE2-CB 4.42Å; T117-E119 PolarHBondContact O-N 3.18Å |
| 120 | F | 86.3 | Confident | 85 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.009 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69 | -43.2 | 175.4 | 179.2 | -93.9 | 0 | 0 | 0 | 111.5 | F70 F114 V115 T117 E118 L122 L123 V125 L258 Y263 | F70-F120 AromaticContact CD2-CE2 3.97Å; F70-F120 HydrophobicContact CD2-CE2 3.97Å; F70-F120 AromaticContact CE2-CD2 3.87Å; F70-F120 HydrophobicContact CE2-CD2 3.87Å; F70-F120 AromaticContact CE2-CE2 3.49Å; F70-F120 HydrophobicContact CE2-CE2 3.49Å; F70-F120 VanDerWaalsContact CE2-CE2 3.49Å; F70-F120 HydrophobicContact CZ-CE2 4.18Å; F114-F120 HydrophobicContact CD1-CD2 4.01Å; F114-F120 HydrophobicContact CD2-CB 4.13Å; F114-F120 AromaticContact CE1-CD2 3.75Å; F114-F120 HydrophobicContact CE1-CD2 3.75Å; F114-F120 HydrophobicContact CE2-CB 3.88Å; F114-F120 HydrophobicContact CZ-CB 4.1Å; F114-F120 HydrophobicContact CZ-CD2 4.03Å; F114-F120 WeakPolarHBondContact O-CB 3.42Å; V115-F120 HydrophobicContact CB-CD1 4.31Å; V115-F120 HydrophobicContact CB-CE1 4.22Å; V115-F120 HydrophobicContact CG1-CE1 4.19Å; V115-F120 HydrophobicContact CG1-CE2 4.17Å; V115-F120 HydrophobicContact CG1-CZ 4.02Å; T117-F120 PolarHBondContact O-N 2.92Å; T117-F120 VanDerWaalsContact OG1-CB 3.29Å; T117-F120 WeakPolarHBondContact OG1-CB 3.46Å; T117-F120 PolarHBondContact OG1-N 3.36Å; E118-F120 PolarHBondContact O-N 2.89Å; F120-L122 PolarHBondContact O-N 2.9Å; F120-L123 HydrophobicContact CD2-CD1 3.82Å; F120-L123 HydrophobicContact CE2-CD1 4.39Å; F120-L123 HydrophobicContact CG-CD1 4.4Å; F120-L123 VanDerWaalsContact O-CB 3.25Å; F120-L123 WeakPolarHBondContact O-CB 3.29Å; F120-L123 WeakPolarHBondContact O-CG 3.38Å; F120-L123 PolarHBondContact O-N 3.37Å; F120-V125 HydrophobicContact CE2-CG2 4.12Å; F120-V125 HydrophobicContact CZ-CG2 4.06Å; F120-L258 HydrophobicContact CE2-CD1 3.77Å; F120-L258 HydrophobicContact CZ-CD1 3.58Å; F120-L258 HydrophobicContact CZ-CG 4.35Å; F120-Y263 HydrophobicContact CE1-CD2 4.15Å; F120-Y263 AromaticContact CE1-CE2 3.6Å; F120-Y263 HydrophobicContact CE1-CE2 3.6Å; F120-Y263 HydrophobicContact CZ-CD2 4.31Å; F120-Y263 HydrophobicContact CZ-CE2 4.18Å |
| 121 | R | 85.5 | Confident | 84.6 | Confident | 137 Ų | 137 | 41.2 Ų | 41.2 | 52% | 0.517 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.4 | -36.8 | 176.6 | -161.7 | -163.8 | 66 | 69.2 | 1.7 | 112.2 | T117 E118 L123 N124 | T117-R121 PolarHBondContact O-N 2.67Å; E118-R121 PolarHBondContact O-N 3.07Å; E118-R121 IonicContact OE1-CZ 3.98Å; E118-R121 IonicContact OE1-NE 2.95Å; E118-R121 PolarHBondContact OE1-NE 3.3Å; E118-R121 IonicContact OE1-NH2 2.72Å; E118-R121 PolarHBondContact OE1-NH2 2.59Å; E118-R121 IonicContact OE2-CZ 2.64Å; E118-R121 IonicContact OE2-NE 3.51Å; E118-R121 PolarHBondContact OE2-NE 2.8Å; E118-R121 IonicContact OE2-NH2 3.53Å; R121-L123 VanDerWaalsContact C-N 3.26Å; R121-L123 PolarHBondContact O-N 3.25Å; R121-N124 PolarHBondContact O-N 3Å |
| 122 | L | 84.2 | Confident | 84.5 | Confident | 115 Ų | 115 | 41.9 Ų | 41.9 | 60% | 0.602 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -8.8 | 177.4 | -72.1 | 170.7 | 0 | 0 | 0 | 114.2 | E118 F120 N124 | E118-L122 HydrophobicContact CG-CD1 3.95Å; E118-L122 HydrophobicContact CG-CG 4.32Å; E118-L122 WeakPolarHBondContact O-CB 3.29Å; E118-L122 WeakPolarHBondContact O-CG 3.39Å; E118-L122 PolarHBondContact O-N 3.16Å; F120-L122 PolarHBondContact O-N 2.9Å; L122-N124 PolarHBondContact O-N 2.9Å |
| 123 | L | 82.1 | Confident | 84.3 | Confident | 26 Ų | 26 | 41.7 Ų | 41.7 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -20.7 | 170 | -59 | 172.2 | 0 | 0 | 0 | 112.6 | L56 S68 F70 F98 F114 F120 R121 V125 | L56-L123 HydrophobicContact CD1-CD2 4.5Å; L56-L123 HydrophobicContact CD2-CD2 4.09Å; S68-L123 VanDerWaalsContact CB-O 3.28Å; S68-L123 WeakPolarHBondContact CB-O 3.19Å; S68-L123 PolarHBondContact OG-O 3.26Å; F70-L123 HydrophobicContact CD2-CD1 3.93Å; F70-L123 HydrophobicContact CE2-CD1 3.84Å; F98-L123 HydrophobicContact CE1-CD1 4.06Å; F98-L123 HydrophobicContact CE2-CD1 4.05Å; F98-L123 HydrophobicContact CZ-CD1 3.35Å; F98-L123 HydrophobicContact CZ-CD2 3.93Å; F98-L123 HydrophobicContact CZ-CG 4.29Å; F114-L123 HydrophobicContact CZ-CD1 4.1Å; F120-L123 HydrophobicContact CD2-CD1 3.82Å; F120-L123 HydrophobicContact CE2-CD1 4.39Å; F120-L123 HydrophobicContact CG-CD1 4.4Å; F120-L123 VanDerWaalsContact O-CB 3.25Å; F120-L123 WeakPolarHBondContact O-CB 3.29Å; F120-L123 WeakPolarHBondContact O-CG 3.38Å; F120-L123 PolarHBondContact O-N 3.37Å; R121-L123 VanDerWaalsContact C-N 3.26Å; R121-L123 PolarHBondContact O-N 3.25Å; L123-V125 VanDerWaalsContact C-N 3.35Å; L123-V125 HydrophobicContact CB-CG2 3.85Å; L123-V125 HydrophobicContact CD1-CG2 4.25Å; L123-V125 PolarHBondContact O-N 2.95Å |
| 124 | N | 80.1 | Confident | 84 | Confident | 79 Ų | 79 | 38.9 Ų | 38.9 | 42% | 0.422 | 20% | 0.195 | S | C | . | . | trans | 54.2 | 46.8 | -176.2 | -164.4 | 36.7 | 0 | 0 | 0 | 112.5 | L66 P67 S68 R121 L122 G126 | L66-N124 VanDerWaalsContact C-ND2 3.34Å; L66-N124 PolarHBondContact O-ND2 2.8Å; P67-N124 CarbonylContact C-O 3.58Å; P67-N124 WeakPolarHBondContact CA-O 3.31Å; S68-N124 PolarHBondContact N-O 2.78Å; R121-N124 PolarHBondContact O-N 3Å; L122-N124 PolarHBondContact O-N 2.9Å; N124-G126 PolarHBondContact O-N 2.93Å | ||
| 125 | V | 81.2 | Confident | 83.8 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 126.5 | -173.7 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | F70 F120 L123 L127 Y263 | F70-V125 HydrophobicContact CB-CG1 3.76Å; F70-V125 HydrophobicContact CB-CG2 4.16Å; F70-V125 HydrophobicContact CD2-CG2 3.76Å; F70-V125 HydrophobicContact CG-CG2 4.39Å; F120-V125 HydrophobicContact CE2-CG2 4.12Å; F120-V125 HydrophobicContact CZ-CG2 4.06Å; L123-V125 VanDerWaalsContact C-N 3.35Å; L123-V125 HydrophobicContact CB-CG2 3.85Å; L123-V125 HydrophobicContact CD1-CG2 4.25Å; L123-V125 PolarHBondContact O-N 2.95Å; V125-L127 WeakPolarHBondContact CG1-O 3.4Å; V125-Y263 HydrophobicContact CB-CD1 3.96Å; V125-Y263 HydrophobicContact CB-CE1 4.03Å; V125-Y263 HydrophobicContact CG1-CD1 4.24Å; V125-Y263 WeakPolarHBondContact O-CD1 3.35Å; V125-Y263 WeakPolarHBondContact O-CE1 3.29Å |
| 126 | G | 77.2 | Confident | 83.5 | Confident | 11 Ų | 11 | 45 Ų | 45 | 11% | 0.113 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -48.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S68 N124 W229 | S68-G126 PolarHBondContact O-N 3.11Å; N124-G126 PolarHBondContact O-N 2.93Å; G126-W229 VanDerWaalsContact CA-CZ2 3.47Å; G126-W229 PolarHBondContact O-NE1 2.81Å |
| 127 | L | 86.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 162.3 | 170.2 | 80.8 | 121.5 | 0 | 0 | 0 | 112.2 | I69 F70 V125 L129 W229 D264 L304 | I69-L127 HydrophobicContact CG1-CD2 3.92Å; I69-L127 HydrophobicContact CG2-CD2 4.41Å; I69-L127 HydrophobicContact CG2-CG 4.37Å; F70-L127 WeakPolarHBondContact CB-O 3.18Å; F70-L127 PolarHBondContact N-O 3.46Å; V125-L127 WeakPolarHBondContact CG1-O 3.4Å; L127-L129 HydrophobicContact CD1-CD2 3.71Å; L127-L129 HydrophobicContact CD1-CG 3.96Å; L127-W229 HydrophobicContact CB-CB 4.29Å; L127-W229 HydrophobicContact CB-CD2 3.99Å; L127-W229 HydrophobicContact CB-CG 3.86Å; L127-W229 HydrophobicContact CD2-CB 4.24Å; L127-W229 HydrophobicContact CD2-CD2 3.49Å; L127-W229 VanDerWaalsContact CD2-CD2 3.49Å; L127-W229 HydrophobicContact CD2-CE3 3.22Å; L127-W229 HydrophobicContact CD2-CG 3.97Å; L127-W229 HydrophobicContact CD2-CH2 4.26Å; L127-W229 HydrophobicContact CD2-CZ3 3.64Å; L127-W229 HydrophobicContact CG-CD2 4.36Å; L127-W229 HydrophobicContact CG-CE3 4.48Å; L127-W229 HydrophobicContact CG-CG 4.49Å; L127-D264 CarbonylContact C-O 2.83Å; L127-D264 WeakPolarHBondContact CA-O 3.1Å; L127-D264 HydrophobicContact CB-CB 4.45Å; L127-L304 HydrophobicContact CD1-CD1 4.14Å; L127-L304 HydrophobicContact CD2-CB 4.3Å; L127-L304 HydrophobicContact CD2-CD1 4.32Å; L127-L304 HydrophobicContact CD2-CD2 3.81Å; L127-L304 HydrophobicContact CD2-CG 4.36Å |
| 128 | C | 85.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 137.6 | 163.1 | 178.6 | 0 | 0 | 0 | 0 | 111.9 | F70 L258 D264 A265 Y266 | F70-C128 HydrophobicContact CB-CB 4.26Å; F70-C128 HydrophobicContact CD1-CB 4.21Å; F70-C128 CarbonylContact O-C 3.6Å; F70-C128 VanDerWaalsContact O-CA 3.23Å; F70-C128 WeakPolarHBondContact O-CA 2.93Å; C128-L258 HydrophobicContact CB-CD2 3.55Å; C128-L258 HydrophobicContact CB-CG 4.14Å; C128-L258 WeakPolarHBondContact SG-CD2 3.43Å; C128-D264 PolarHBondContact N-O 2.77Å; C128-A265 HydrophobicContact CB-CB 3.71Å; C128-A265 CarbonylContact O-C 3.48Å; C128-A265 WeakPolarHBondContact O-CA 3.32Å; C128-Y266 PolarHBondContact O-N 2.89Å |
| 129 | L | 82.5 | Confident | 83.1 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 135.4 | 154.1 | -53.2 | 176.1 | 0 | 0 | 0 | 109.7 | F70 L71 S72 L127 I233 Y266 L300 L304 | F70-L129 PolarHBondContact O-N 3.2Å; L71-L129 HydrophobicContact CD2-CB 4.03Å; L71-L129 HydrophobicContact CD2-CD1 4.07Å; L71-L129 HydrophobicContact CD2-CG 4.14Å; S72-L129 PolarHBondContact N-O 2.9Å; L127-L129 HydrophobicContact CD1-CD2 3.71Å; L127-L129 HydrophobicContact CD1-CG 3.96Å; L129-I233 HydrophobicContact CD2-CD1 4.22Å; L129-Y266 VanDerWaalsContact CA-O 3.29Å; L129-Y266 WeakPolarHBondContact CA-O 3.45Å; L129-L300 HydrophobicContact CD1-CD2 3.69Å; L129-L300 HydrophobicContact CD1-CG 4.12Å; L129-L304 HydrophobicContact CD1-CD1 4.03Å; L129-L304 HydrophobicContact CD2-CD1 4.5Å; L129-L304 HydrophobicContact CG-CD1 4.46Å |
| 130 | D | 84 | Confident | 83.2 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.032 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | -171.2 | -175.3 | -161.1 | 17.1 | 0 | 0 | 0 | 110.9 | S72 T253 D254 A255 Y266 G267 F268 | S72-D130 WeakPolarHBondContact CB-OD1 3.43Å; S72-D130 PolarHBondContact OG-OD1 3.24Å; S72-D130 VanDerWaalsContact OG-OD1 3.07Å; D130-T253 WeakPolarHBondContact OD2-CB 2.95Å; D130-D254 PolarHBondContact OD2-N 2.89Å; D130-A255 HydrophobicContact CB-CB 3.89Å; D130-A255 VanDerWaalsContact OD2-CB 3.26Å; D130-A255 WeakPolarHBondContact OD2-CB 3.47Å; D130-A255 PolarHBondContact OD2-N 2.99Å; D130-Y266 PolarHBondContact N-O 3.25Å; D130-Y266 VanDerWaalsContact N-O 3.11Å; D130-G267 WeakPolarHBondContact O-CA 3.29Å; D130-F268 PolarHBondContact O-N 3.03Å |
| 131 | E | 78.2 | Confident | 83.2 | Confident | 53 Ų | 53 | 40.4 Ų | 40.4 | 25% | 0.248 | 20% | 0.204 | C | C | . | . | trans | -59.4 | 168 | -175.4 | 68.8 | 148.5 | -170 | 0 | 0 | 116.3 | F249 T253 G267 F268 | E131-F249 HydrophobicContact CG-CZ 4.31Å; E131-F249 WeakPolarHBondContact OE1-CE1 3.33Å; E131-F249 WeakPolarHBondContact OE1-CZ 3.36Å; E131-T253 HydrophobicContact CG-CG2 3.83Å; E131-G267 CarbonylContact O-C 3.52Å; E131-G267 VanDerWaalsContact O-C 3.3Å; E131-G267 WeakPolarHBondContact O-CA 3.14Å; E131-F268 PolarHBondContact O-N 3.15Å | ||
| 132 | G | 83.3 | Confident | 83.3 | Confident | 14 Ų | 14 | 34 Ų | 34 | 14% | 0.144 | 18% | 0.179 | C | C | . | . | trans | -167.7 | 149.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S269 | G132-S269 VanDerWaalsContact C-CB 3.42Å; G132-S269 WeakPolarHBondContact O-CB 3.17Å; G132-S269 PolarHBondContact O-OG 3.26Å | ||
| 133 | V | 81.4 | Confident | 83.5 | Confident | 9 Ų | 9 | 28.8 Ų | 28.8 | 6% | 0.055 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -85.1 | 151.7 | 178.7 | -48.7 | 0 | 0 | 0 | 0 | 112.4 | Y143 F249 H250 M276 L278 | V133-Y143 WeakPolarHBondContact CG2-OH 3.24Å; V133-Y143 PolarHBondContact O-OH 3.31Å; V133-F249 HydrophobicContact CG1-CD2 4.48Å; V133-F249 HydrophobicContact CG1-CE2 3.52Å; V133-F249 HydrophobicContact CG1-CZ 3.87Å; V133-H250 WeakPolarHBondContact CG1-NE2 3.27Å; V133-M276 HydrophobicContact CB-CG 4.43Å; V133-M276 HydrophobicContact CB-SD 4.29Å; V133-M276 HydrophobicContact CG2-SD 4.03Å; V133-L278 HydrophobicContact CB-CD2 3.78Å; V133-L278 HydrophobicContact CG1-CD2 3.28Å |
| 134 | A | 80.6 | Confident | 83.7 | Confident | 14 Ų | 14 | 29.5 Ų | 29.5 | 12% | 0.116 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -59.7 | 150.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I271 | A134-I271 WeakPolarHBondContact CA-O 3.41Å; A134-I271 HydrophobicContact CB-CB 3.96Å; A134-I271 HydrophobicContact CB-CG2 3.59Å |
| 135 | S | 82.8 | Confident | 83.8 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -102.9 | 137.4 | 167.5 | -153.5 | 0 | 0 | 0 | 0 | 111.7 | D137 I139 R141 I271 I272 C273 T274 | S135-D137 VanDerWaalsContact C-N 3.29Å; S135-D137 PolarHBondContact OG-OD1 3.02Å; S135-D137 PolarHBondContact OG-OD2 3.12Å; S135-I139 VanDerWaalsContact CB-O 3.25Å; S135-I139 WeakPolarHBondContact CB-O 3.37Å; S135-I139 PolarHBondContact OG-O 2.98Å; S135-R141 PolarHBondContact OG-NE 2.92Å; S135-R141 PolarHBondContact OG-NH2 3.48Å; S135-I271 PolarHBondContact N-O 2.8Å; S135-I272 CarbonylContact O-C 3.45Å; S135-C273 WeakPolarHBondContact O-CA 3.33Å; S135-C273 PolarHBondContact O-N 3.4Å; S135-T274 CarbonylContact C-O 3.46Å; S135-T274 PolarHBondContact O-N 3.17Å |
| 136 | E | 83.1 | Confident | 83.6 | Confident | 138 Ų | 138 | 26.4 Ų | 26.4 | 65% | 0.645 | 14% | 0.136 | S | C | * | . | S | Bend | trans | -77.6 | -17 | 173.5 | -55.9 | -174.3 | 145.3 | 0 | 0 | 112.5 | ||
| 137 | D | 86.7 | Confident | 83.5 | Confident | 50 Ų | 50 | 28.1 Ų | 28.1 | 27% | 0.267 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -103.4 | -175.4 | -179.6 | 59.9 | 38.9 | 0 | 0 | 0 | 112 | S135 I139 R141 R245 I272 C273 | S135-D137 VanDerWaalsContact C-N 3.29Å; S135-D137 PolarHBondContact OG-OD1 3.02Å; S135-D137 PolarHBondContact OG-OD2 3.12Å; D137-I139 VanDerWaalsContact C-N 3.3Å; D137-I139 PolarHBondContact O-N 3.08Å; D137-I139 WeakPolarHBondContact OD1-CA 3.34Å; D137-I139 VanDerWaalsContact OD1-CB 3.3Å; D137-I139 WeakPolarHBondContact OD1-CB 3.44Å; D137-I139 PolarHBondContact OD1-N 2.94Å; D137-R141 IonicContact OD2-NH2 2.7Å; D137-R245 IonicContact OD2-NH1 2.69Å; D137-I272 WeakPolarHBondContact O-CG1 3.39Å; D137-C273 PolarHBondContact O-N 3.39Å |
| 138 | D | 84.3 | Confident | 82.7 | Confident | 89 Ų | 89 | 29.5 Ų | 29.5 | 48% | 0.476 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -91.6 | 26.4 | 177.1 | 79.8 | -27.9 | 0 | 0 | 0 | 113.9 | K243 | D138-K243 WeakPolarHBondContact OD1-CD 3.49Å; D138-K243 IonicContact OD1-NZ 2.72Å; D138-K243 PolarHBondContact OD1-NZ 2.66Å; D138-K243 IonicContact OD2-NZ 2.65Å; D138-K243 PolarHBondContact OD2-NZ 2.93Å |
| 139 | I | 85.8 | Confident | 81.5 | Confident | 47 Ų | 47 | 33.6 Ų | 33.6 | 24% | 0.241 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123.7 | 178.5 | -50 | 177.5 | 0 | 0 | 0 | 110.4 | S135 D137 K243 R245 | S135-I139 VanDerWaalsContact CB-O 3.25Å; S135-I139 WeakPolarHBondContact CB-O 3.37Å; S135-I139 PolarHBondContact OG-O 2.98Å; D137-I139 VanDerWaalsContact C-N 3.3Å; D137-I139 PolarHBondContact O-N 3.08Å; D137-I139 WeakPolarHBondContact OD1-CA 3.34Å; D137-I139 VanDerWaalsContact OD1-CB 3.3Å; D137-I139 WeakPolarHBondContact OD1-CB 3.44Å; D137-I139 PolarHBondContact OD1-N 2.94Å; I139-K243 HydrophobicContact CB-CB 4.29Å; I139-K243 HydrophobicContact CG1-CB 3.99Å; I139-K243 HydrophobicContact CG1-CD 4.04Å; I139-K243 HydrophobicContact CG2-CB 4.19Å; I139-R245 HydrophobicContact CG2-CB 4.28Å; I139-R245 HydrophobicContact CG2-CG 4.18Å |
| 140 | Y | 86.8 | Confident | 80.4 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.02 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 139.6 | 170.9 | -70.8 | -76.7 | 0 | 0 | 0 | 111.5 | F242 K243 Y244 R245 F268 P270 I272 K292 I296 | Y140-F242 HydrophobicContact CD2-CB 3.9Å; Y140-F242 AromaticContact CD2-CD2 3.89Å; Y140-F242 HydrophobicContact CD2-CD2 3.89Å; Y140-F242 AromaticContact CD2-CG 4Å; Y140-F242 HydrophobicContact CD2-CG 4Å; Y140-F242 HydrophobicContact CE2-CB 4.07Å; Y140-F242 HydrophobicContact CE2-CD1 4.18Å; Y140-F242 AromaticContact CE2-CD2 3.58Å; Y140-F242 HydrophobicContact CE2-CD2 3.58Å; Y140-F242 HydrophobicContact CE2-CE2 4.05Å; Y140-F242 AromaticContact CE2-CG 3.68Å; Y140-F242 HydrophobicContact CE2-CG 3.68Å; Y140-K243 PolarHBondContact N-O 2.82Å; Y140-Y244 CarbonylContact O-C 3.51Å; Y140-Y244 WeakPolarHBondContact O-CA 3.49Å; Y140-R245 PolarHBondContact O-N 2.73Å; Y140-F268 HydrophobicContact CD1-CE2 4.15Å; Y140-F268 HydrophobicContact CD1-CZ 4.24Å; Y140-F268 HydrophobicContact CG-CE2 4.45Å; Y140-P270 HydrophobicContact CE1-CB 4.22Å; Y140-I272 HydrophobicContact CD1-CB 4.46Å; Y140-I272 HydrophobicContact CD1-CD1 3.84Å; Y140-I272 HydrophobicContact CD2-CD1 3.68Å; Y140-I272 HydrophobicContact CE1-CB 3.87Å; Y140-I272 HydrophobicContact CE1-CD1 3.65Å; Y140-I272 HydrophobicContact CE1-CG1 4.35Å; Y140-I272 HydrophobicContact CE1-CG2 4.07Å; Y140-I272 HydrophobicContact CE2-CD1 3.51Å; Y140-I272 HydrophobicContact CG-CD1 3.84Å; Y140-I272 VanDerWaalsContact CZ-CD1 3.47Å; Y140-K292 VanDerWaalsContact OH-CE 3.3Å; Y140-K292 WeakPolarHBondContact OH-CE 3.46Å; Y140-K292 PolarHBondContact OH-NZ 2.68Å; Y140-I296 HydrophobicContact CE1-CD1 3.93Å; Y140-I296 HydrophobicContact CE2-CD1 4.23Å; Y140-I296 WeakPolarHBondContact OH-CD1 3.31Å |
| 141 | R | 86.6 | Confident | 79.1 | Confident | 41 Ų | 41 | 46.7 Ų | 46.7 | 16% | 0.155 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131.6 | 179.6 | -59.9 | 176.2 | -169.1 | -163.1 | 8.7 | 109.7 | S135 D137 Y143 R245 E247 | S135-R141 PolarHBondContact OG-NE 2.92Å; S135-R141 PolarHBondContact OG-NH2 3.48Å; D137-R141 IonicContact OD2-NH2 2.7Å; R141-Y143 HydrophobicContact CB-CE1 4.03Å; R141-Y143 HydrophobicContact CB-CE2 4.03Å; R141-Y143 WeakPolarHBondContact CB-OH 3.49Å; R141-Y143 VanDerWaalsContact CD-OH 3.26Å; R141-Y143 WeakPolarHBondContact CD-OH 3.38Å; R141-R245 HydrophobicContact CG-CG 4.26Å; R141-R245 VanDerWaalsContact CZ-NH2 3.3Å; R141-E247 WeakPolarHBondContact CD-OE2 3.03Å; R141-E247 IonicContact NE-OE2 3.5Å |
| 142 | V | 87.6 | Confident | 78.2 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 117.3 | -177.7 | -162.9 | 0 | 0 | 0 | 0 | 108.4 | W230 I233 F237 R245 S246 E247 F268 | V142-W230 HydrophobicContact CB-CH2 3.95Å; V142-W230 HydrophobicContact CB-CZ3 3.97Å; V142-W230 HydrophobicContact CG1-CH2 4.12Å; V142-W230 HydrophobicContact CG1-CZ3 3.62Å; V142-I233 HydrophobicContact CG1-CG2 4.12Å; V142-F237 HydrophobicContact CG2-CD2 4.26Å; V142-F237 HydrophobicContact CG2-CE2 3.57Å; V142-F237 HydrophobicContact CG2-CZ 4.41Å; V142-R245 PolarHBondContact N-O 2.98Å; V142-S246 WeakPolarHBondContact O-CA 3.46Å; V142-E247 PolarHBondContact O-N 3.33Å; V142-F268 HydrophobicContact CG2-CD2 4.36Å |
| 143 | Y | 87.8 | Confident | 77.1 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 2% | 0.024 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 101 | -168.4 | -54.4 | -74.9 | 0 | 0 | 0 | 111.2 | V133 R141 E247 F249 Y266 G267 | V133-Y143 WeakPolarHBondContact CG2-OH 3.24Å; V133-Y143 PolarHBondContact O-OH 3.31Å; R141-Y143 HydrophobicContact CB-CE1 4.03Å; R141-Y143 HydrophobicContact CB-CE2 4.03Å; R141-Y143 WeakPolarHBondContact CB-OH 3.49Å; R141-Y143 VanDerWaalsContact CD-OH 3.26Å; R141-Y143 WeakPolarHBondContact CD-OH 3.38Å; Y143-E247 VanDerWaalsContact CA-O 3.29Å; Y143-E247 WeakPolarHBondContact CA-O 3.36Å; Y143-E247 HydrophobicContact CD1-CB 4.03Å; Y143-E247 HydrophobicContact CD1-CG 4.47Å; Y143-E247 HydrophobicContact CE1-CB 4Å; Y143-E247 HydrophobicContact CE1-CG 4.19Å; Y143-F249 HydrophobicContact CD1-CB 4.06Å; Y143-F249 AromaticContact CD1-CD2 3.95Å; Y143-F249 HydrophobicContact CD1-CD2 3.95Å; Y143-F249 AromaticContact CD2-CD2 3.89Å; Y143-F249 HydrophobicContact CD2-CD2 3.89Å; Y143-F249 HydrophobicContact CE1-CD2 4.22Å; Y143-F249 HydrophobicContact CE2-CD2 4.18Å; Y143-F249 HydrophobicContact CG-CB 4.09Å; Y143-F249 AromaticContact CG-CD2 3.78Å; Y143-F249 HydrophobicContact CG-CD2 3.78Å; Y143-F249 HydrophobicContact CG-CG 4.43Å; Y143-Y266 CarbonylContact O-C 3.16Å; Y143-Y266 WeakPolarHBondContact O-CA 3.46Å; Y143-G267 PolarHBondContact N-O 3.16Å; Y143-G267 PolarHBondContact O-N 3.25Å |
| 144 | Y | 85.2 | Confident | 76.5 | Confident | 42 Ų | 42 | 55.5 Ų | 55.5 | 17% | 0.165 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -8.3 | -176.4 | 67.6 | -84.7 | 0 | 0 | 0 | 113.6 | V220 S221 N223 E247 V248 | Y144-V220 HydrophobicContact CD2-CG1 3.89Å; Y144-V220 HydrophobicContact CE2-CG1 4.03Å; Y144-S221 WeakPolarHBondContact O-CB 3.35Å; Y144-S221 PolarHBondContact O-N 2.91Å; Y144-N223 HydrophobicContact CD1-CB 4.04Å; Y144-N223 HydrophobicContact CD2-CB 3.91Å; Y144-N223 WeakPolarHBondContact CE1-ND2 3.37Å; Y144-N223 HydrophobicContact CE2-CB 4.48Å; Y144-N223 HydrophobicContact CG-CB 3.67Å; Y144-E247 WeakPolarHBondContact CD1-O 3.24Å; Y144-E247 WeakPolarHBondContact CE1-O 3.39Å; Y144-E247 PolarHBondContact N-O 3.45Å; Y144-V248 HydrophobicContact CE1-CG2 4.24Å |
| 145 | A | 82.7 | Confident | 76 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 3% | 0.033 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 172.6 | 177 | 0 | 0 | 0 | 0 | 0 | 109.6 | V220 V248 F249 | A145-V220 HydrophobicContact CB-CB 4.3Å; A145-V220 HydrophobicContact CB-CG1 4.16Å; A145-V220 HydrophobicContact CB-CG2 3.9Å; A145-V248 HydrophobicContact CB-CG1 4.23Å; A145-V248 HydrophobicContact CB-CG2 4.4Å; A145-F249 WeakPolarHBondContact O-CB 3.5Å; A145-F249 PolarHBondContact O-N 3.47Å |
| 146 | E | 78.1 | Confident | 75.7 | Confident | 17 Ų | 17 | 62.5 Ų | 62.5 | 8% | 0.079 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 177.5 | 163.4 | 76.1 | -116 | 114.6 | 0 | 0 | 111.4 | F249 T253 R256 R259 | E146-F249 WeakPolarHBondContact CA-O 3.41Å; E146-F249 HydrophobicContact CB-CB 4.01Å; E146-T253 PolarHBondContact OE2-N 3.5Å; E146-T253 PolarHBondContact OE2-OG1 2.99Å; E146-R256 WeakPolarHBondContact OE1-CA 3.37Å; E146-R256 WeakPolarHBondContact OE1-CB 3.4Å; E146-R259 IonicContact OE1-CZ 2.76Å; E146-R259 IonicContact OE1-NE 3.52Å; E146-R259 IonicContact OE1-NH2 3.35Å; E146-R259 PolarHBondContact OE1-NH2 3.34Å; E146-R259 IonicContact OE2-NH2 2.7Å; E146-R259 PolarHBondContact OE2-NH2 2.94Å |
| 147 | R | 74.4 | Confident | 75.3 | Confident | 48 Ų | 48 | 60.3 Ų | 60.3 | 18% | 0.181 | 30% | 0.297 | C | S | . | . | trans | -77 | 140.6 | 168.4 | -72.9 | 168.1 | 160.2 | 169.1 | -15.6 | 111.5 | L149 V201 V204 F249 H250 | R147-L149 PolarHBondContact O-N 3.19Å; R147-V201 PolarHBondContact NH2-O 3.05Å; R147-V204 PolarHBondContact NH2-O 2.95Å; R147-F249 PolarHBondContact N-O 3.18Å; R147-H250 WeakPolarHBondContact CD-O 3.44Å; R147-H250 PolarHBondContact NH1-O 2.9Å | ||
| 148 | S | 68.6 | Low | 75.1 | Confident | 28 Ų | 28 | 59.6 Ų | 59.6 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | trans | -64.4 | 133.9 | 159.7 | -100.2 | 0 | 0 | 0 | 0 | 110.6 | W150 T218 | S148-W150 PolarHBondContact O-N 2.91Å; S148-T218 WeakPolarHBondContact OG-CA 3.42Å; S148-T218 WeakPolarHBondContact OG-CG2 3.47Å; S148-T218 PolarHBondContact OG-N 2.77Å; S148-T218 VanDerWaalsContact OG-N 3.09Å | ||
| 149 | L | 61.7 | Low | 74.8 | Confident | 86 Ų | 86 | 59.9 Ų | 59.9 | 45% | 0.45 | 30% | 0.303 | S | S | . | . | trans | -91.5 | 87.5 | 178.2 | -64.4 | 173.3 | 0 | 0 | 0 | 110.7 | R147 W151 | R147-L149 PolarHBondContact O-N 3.19Å; L149-W151 PolarHBondContact O-N 3.4Å; L149-W151 VanDerWaalsContact O-N 3.09Å | ||
| 150 | W | 59 | Low | 74 | Confident | 190 Ų | 190 | 63.3 Ų | 63.3 | 72% | 0.72 | 33% | 0.331 | S | S | * | . | trans | -73.6 | 92.5 | -178.5 | -75.8 | 61.4 | 0 | 0 | 0 | 112.5 | S148 E215 | S148-W150 PolarHBondContact O-N 2.91Å; W150-E215 PolarHBondContact NE1-OE1 3.23Å | ||
| 151 | W | 56.4 | Low | 73 | Confident | 96 Ų | 96 | 65.8 Ų | 65.8 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | trans | -90.7 | 109.2 | 173.5 | -57.4 | 101.5 | 0 | 0 | 0 | 111.3 | L149 M211 | L149-W151 PolarHBondContact O-N 3.4Å; L149-W151 VanDerWaalsContact O-N 3.09Å; W151-M211 HydrophobicContact CE3-CB 4.26Å; W151-M211 HydrophobicContact CZ3-CB 4.05Å | ||
| 152 | L | 58.5 | Low | 71.8 | Confident | 96 Ų | 96 | 70.2 Ų | 70.2 | 50% | 0.503 | 38% | 0.381 | S | S | . | . | trans | -101.9 | 117.1 | -172 | -175.2 | 65.6 | 0 | 0 | 0 | 115.6 | V154 F182 L212 | L152-V154 VanDerWaalsContact C-N 3.28Å; L152-V154 HydrophobicContact CD2-CG2 3.88Å; L152-V154 HydrophobicContact CG-CG2 4.02Å; L152-V154 PolarHBondContact O-N 2.81Å; L152-F182 HydrophobicContact CD2-CE1 4.33Å; L152-F182 HydrophobicContact CD2-CE2 3.75Å; L152-F182 HydrophobicContact CD2-CZ 3.31Å; L152-L212 WeakPolarHBondContact O-CD2 3.11Å | ||
| 153 | K | 60.3 | Low | 70.2 | Confident | 127 Ų | 127 | 75.4 Ų | 75.4 | 55% | 0.552 | 42% | 0.424 | S | S | * | . | trans | -50.4 | 46 | 170.1 | -171 | -159.2 | -156.8 | 173.2 | 0 | 119.8 | I155 L212 | K153-I155 HydrophobicContact CG-CD1 4.4Å; K153-I155 HydrophobicContact CG-CG1 4.05Å; K153-I155 PolarHBondContact O-N 3Å; K153-L212 HydrophobicContact CB-CB 3.89Å; K153-L212 HydrophobicContact CB-CD2 4.07Å; K153-L212 HydrophobicContact CB-CG 4.49Å; K153-L212 HydrophobicContact CD-CB 3.93Å; K153-L212 HydrophobicContact CG-CB 4.11Å | ||
| 154 | V | 69 | Low | 68.8 | Low | 39 Ų | 39 | 79.7 Ų | 79.7 | 24% | 0.236 | 45% | 0.454 | C | S | . | . | trans | -68.7 | 117.1 | 179.3 | -175 | 0 | 0 | 0 | 0 | 111.6 | L152 L175 V178 F182 | L152-V154 VanDerWaalsContact C-N 3.28Å; L152-V154 HydrophobicContact CD2-CG2 3.88Å; L152-V154 HydrophobicContact CG-CG2 4.02Å; L152-V154 PolarHBondContact O-N 2.81Å; V154-L175 HydrophobicContact CG1-CD1 4.09Å; V154-V178 HydrophobicContact CG1-CB 4.37Å; V154-V178 HydrophobicContact CG1-CG1 3.85Å; V154-V178 HydrophobicContact CG2-CG1 3.9Å; V154-F182 HydrophobicContact CG2-CE2 4.43Å | ||
| 155 | I | 70.9 | Confident | 67.3 | Low | 132 Ų | 132 | 81.3 Ų | 81.3 | 68% | 0.677 | 47% | 0.469 | S | S | * | . | trans | -123.2 | 116.6 | 168.7 | -56.2 | 177.6 | 0 | 0 | 0 | 107.9 | K153 | K153-I155 HydrophobicContact CG-CD1 4.4Å; K153-I155 HydrophobicContact CG-CG1 4.05Å; K153-I155 PolarHBondContact O-N 3Å | ||
| 156 | A | 77.1 | Confident | 67.1 | Low | 31 Ų | 31 | 91.3 Ų | 91.3 | 26% | 0.256 | 51% | 0.512 | S | S | . | . | trans | -97.2 | 129.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | A171 K174 L175 | A156-A171 HydrophobicContact CB-CB 4.34Å; A156-A171 VanDerWaalsContact CB-O 3.25Å; A156-A171 WeakPolarHBondContact CB-O 3.49Å; A156-A171 WeakPolarHBondContact O-CB 3.36Å; A156-K174 HydrophobicContact CB-CB 4.03Å; A156-L175 HydrophobicContact CB-CB 3.93Å | ||
| 157 | S | 74.4 | Confident | 66.8 | Low | 91 Ų | 91 | 92.5 Ų | 92.5 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | trans | -127.1 | 149.7 | 171.5 | 61.1 | 0 | 0 | 0 | 0 | 109.7 | K174 | S157-K174 WeakPolarHBondContact O-CD 3.32Å; S157-K174 PolarHBondContact O-NZ 2.64Å | ||
| 158 | G | 81.7 | Confident | 67.3 | Low | 36 Ų | 36 | 96.3 Ų | 96.3 | 37% | 0.371 | 54% | 0.544 | S | S | . | . | trans | -175.8 | -178.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D169 | G158-D169 CarbonylContact C-O 3.3Å; G158-D169 WeakPolarHBondContact CA-O 3.23Å | ||
| 159 | N | 77.4 | Confident | 68.1 | Low | 94 Ų | 94 | 99.2 Ų | 99.2 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | trans | -65.5 | 151.2 | -174.7 | -64.6 | -40.7 | 0 | 0 | 0 | 112.3 | V167 D168 D169 | N159-V167 HydrophobicContact CB-CG1 3.44Å; N159-V167 VanDerWaalsContact CB-CG1 3.44Å; N159-D168 WeakPolarHBondContact CB-O 3.29Å; N159-D168 PolarHBondContact ND2-O 3.08Å; N159-D169 PolarHBondContact N-O 3.06Å | ||
| 160 | S | 69.7 | Low | 68.9 | Low | 119 Ų | 119 | 96.5 Ų | 96.5 | 83% | 0.832 | 55% | 0.545 | S | S | * | . | trans | -128.5 | 154.6 | 171.1 | 63.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 161 | G | 65.7 | Low | 69.7 | Low | 57 Ų | 57 | 89.2 Ų | 89.2 | 59% | 0.588 | 53% | 0.525 | S | S | * | . | trans | -168.8 | -170.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 162 | H | 61.7 | Low | 70.7 | Confident | 134 Ų | 134 | 88 Ų | 88 | 62% | 0.62 | 54% | 0.535 | S | S | * | . | trans | -73.7 | 141.3 | -179.6 | -165.5 | -107.9 | 0 | 0 | 0 | 110.7 | S164 T165 | H162-S164 PolarHBondContact ND1-N 3.02Å; H162-S164 PolarHBondContact ND1-OG 3.33Å; H162-S164 PolarHBondContact O-N 3.01Å; H162-T165 PolarHBondContact O-N 2.86Å; H162-T165 PolarHBondContact O-OG1 2.98Å | ||
| 163 | A | 54.5 | Low | 72 | Confident | 111 Ų | 111 | 88 Ų | 88 | 92% | 0.917 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -8.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 164 | S | 58.7 | Low | 73.2 | Confident | 95 Ų | 95 | 85 Ų | 85 | 66% | 0.664 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 5.1 | 172.7 | 77 | 0 | 0 | 0 | 0 | 114.1 | H162 | H162-S164 PolarHBondContact ND1-N 3.02Å; H162-S164 PolarHBondContact ND1-OG 3.33Å; H162-S164 PolarHBondContact O-N 3.01Å |
| 165 | T | 53.3 | Low | 73.9 | Confident | 77 Ų | 77 | 87 Ų | 87 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -120.7 | 134.3 | 177.2 | 48.9 | 0 | 0 | 0 | 0 | 109.4 | H162 V167 | H162-T165 PolarHBondContact O-N 2.86Å; H162-T165 PolarHBondContact O-OG1 2.98Å; T165-V167 PolarHBondContact O-N 3.15Å |
| 166 | F | 77.1 | Confident | 74.7 | Confident | 213 Ų | 213 | 88.7 Ų | 88.7 | 93% | 0.934 | 53% | 0.531 | S | S | * | . | trans | -66.6 | 129 | 165 | -61 | -77.5 | 0 | 0 | 0 | 108.2 | ||||
| 167 | V | 73 | Confident | 75.3 | Confident | 42 Ų | 42 | 94.5 Ų | 94.5 | 26% | 0.255 | 55% | 0.548 | S | S | . | . | trans | -120.4 | 121.7 | -179.4 | 177 | 0 | 0 | 0 | 0 | 106.1 | N159 T165 T170 | N159-V167 HydrophobicContact CB-CG1 3.44Å; N159-V167 VanDerWaalsContact CB-CG1 3.44Å; T165-V167 PolarHBondContact O-N 3.15Å; V167-T170 HydrophobicContact CB-CG2 4.25Å; V167-T170 HydrophobicContact CG1-CG2 4.16Å; V167-T170 VanDerWaalsContact O-CG2 3.22Å; V167-T170 WeakPolarHBondContact O-CG2 3.34Å | ||
| 168 | D | 84.8 | Confident | 75.8 | Confident | 128 Ų | 128 | 92.2 Ų | 92.2 | 68% | 0.684 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -83 | 158.6 | 176.9 | -53.2 | -64 | 0 | 0 | 0 | 111.4 | N159 T170 | N159-D168 WeakPolarHBondContact CB-O 3.29Å; N159-D168 PolarHBondContact ND2-O 3.08Å; D168-T170 PolarHBondContact O-N 3.38Å |
| 169 | D | 86.2 | Confident | 75.9 | Confident | 90 Ų | 90 | 92.5 Ų | 92.5 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | S | Bend | trans | 63.8 | 36.5 | 174.1 | -165.9 | 58.7 | 0 | 0 | 0 | 113.9 | G158 N159 E173 K174 | G158-D169 CarbonylContact C-O 3.3Å; G158-D169 WeakPolarHBondContact CA-O 3.23Å; N159-D169 PolarHBondContact N-O 3.06Å; D169-E173 PolarHBondContact N-OE2 3.32Å; D169-K174 VanDerWaalsContact CG-CE 3.43Å; D169-K174 PolarHBondContact O-NZ 2.97Å; D169-K174 WeakPolarHBondContact OD1-CE 3.34Å; D169-K174 IonicContact OD1-NZ 2.66Å; D169-K174 PolarHBondContact OD1-NZ 2.89Å; D169-K174 IonicContact OD2-NZ 3.66Å; D169-K174 PolarHBondContact OD2-NZ 3.08Å |
| 170 | T | 78.1 | Confident | 76.4 | Confident | 29 Ų | 29 | 89.7 Ų | 89.7 | 18% | 0.178 | 52% | 0.518 | C | S | . | . | trans | -69.6 | 160 | 178.9 | 67.7 | 0 | 0 | 0 | 0 | 112.9 | V167 D168 A172 E173 K174 | V167-T170 HydrophobicContact CB-CG2 4.25Å; V167-T170 HydrophobicContact CG1-CG2 4.16Å; V167-T170 VanDerWaalsContact O-CG2 3.22Å; V167-T170 WeakPolarHBondContact O-CG2 3.34Å; D168-T170 PolarHBondContact O-N 3.38Å; T170-A172 PolarHBondContact O-N 3.43Å; T170-A172 PolarHBondContact OG1-N 3.22Å; T170-E173 VanDerWaalsContact CB-OE2 3.31Å; T170-E173 WeakPolarHBondContact CB-OE2 3.18Å; T170-E173 WeakPolarHBondContact CG2-OE2 3.48Å; T170-E173 PolarHBondContact N-OE2 2.86Å; T170-E173 WeakPolarHBondContact OG1-CG 3.14Å; T170-E173 PolarHBondContact OG1-N 3.4Å; T170-E173 VanDerWaalsContact OG1-N 3.16Å; T170-E173 PolarHBondContact OG1-OE2 2.91Å; T170-K174 PolarHBondContact O-N 3.46Å | ||
| 171 | A | 75.9 | Confident | 77.4 | Confident | 37 Ų | 37 | 88.5 Ų | 88.5 | 31% | 0.306 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.7 | -31.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A156 L175 | A156-A171 HydrophobicContact CB-CB 4.34Å; A156-A171 VanDerWaalsContact CB-O 3.25Å; A156-A171 WeakPolarHBondContact CB-O 3.49Å; A156-A171 WeakPolarHBondContact O-CB 3.36Å; A171-L175 VanDerWaalsContact O-CB 3.31Å; A171-L175 WeakPolarHBondContact O-CB 3.2Å; A171-L175 PolarHBondContact O-N 2.66Å |
| 172 | A | 77 | Confident | 78.3 | Confident | 69 Ų | 69 | 88.5 Ų | 88.5 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69 | -44.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T170 L175 F176 | T170-A172 PolarHBondContact O-N 3.43Å; T170-A172 PolarHBondContact OG1-N 3.22Å; A172-L175 PolarHBondContact O-N 3.48Å; A172-F176 VanDerWaalsContact O-CB 3.31Å; A172-F176 WeakPolarHBondContact O-CB 3.43Å; A172-F176 PolarHBondContact O-N 2.76Å |
| 173 | E | 84.7 | Confident | 79.5 | Confident | 97 Ų | 97 | 86.7 Ų | 86.7 | 45% | 0.453 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 177.7 | -69.4 | 159.6 | 120.1 | 0 | 0 | 111.8 | D169 T170 F176 Y177 | D169-E173 PolarHBondContact N-OE2 3.32Å; T170-E173 VanDerWaalsContact CB-OE2 3.31Å; T170-E173 WeakPolarHBondContact CB-OE2 3.18Å; T170-E173 WeakPolarHBondContact CG2-OE2 3.48Å; T170-E173 PolarHBondContact N-OE2 2.86Å; T170-E173 WeakPolarHBondContact OG1-CG 3.14Å; T170-E173 PolarHBondContact OG1-N 3.4Å; T170-E173 VanDerWaalsContact OG1-N 3.16Å; T170-E173 PolarHBondContact OG1-OE2 2.91Å; E173-F176 PolarHBondContact O-N 2.71Å; E173-Y177 WeakPolarHBondContact O-CB 3.49Å; E173-Y177 PolarHBondContact O-N 2.81Å |
| 174 | K | 85.9 | Confident | 81.2 | Confident | 63 Ų | 63 | 85.5 Ų | 85.5 | 27% | 0.274 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 175.8 | -70.5 | 164 | -179.1 | 154.9 | 0 | 111.9 | A156 S157 D169 T170 F176 Y177 V178 | A156-K174 HydrophobicContact CB-CB 4.03Å; S157-K174 WeakPolarHBondContact O-CD 3.32Å; S157-K174 PolarHBondContact O-NZ 2.64Å; D169-K174 VanDerWaalsContact CG-CE 3.43Å; D169-K174 PolarHBondContact O-NZ 2.97Å; D169-K174 WeakPolarHBondContact OD1-CE 3.34Å; D169-K174 IonicContact OD1-NZ 2.66Å; D169-K174 PolarHBondContact OD1-NZ 2.89Å; D169-K174 IonicContact OD2-NZ 3.66Å; D169-K174 PolarHBondContact OD2-NZ 3.08Å; T170-K174 PolarHBondContact O-N 3.46Å; K174-F176 VanDerWaalsContact C-N 3.33Å; K174-Y177 PolarHBondContact O-N 2.91Å; K174-V178 WeakPolarHBondContact O-CG2 3.22Å; K174-V178 PolarHBondContact O-N 2.86Å |
| 175 | L | 84.4 | Confident | 82.6 | Confident | 82 Ų | 82 | 83.2 Ų | 83.2 | 43% | 0.429 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66 | -36.9 | 176.9 | -173.6 | 63.3 | 0 | 0 | 0 | 111.9 | V154 A156 A171 A172 T179 | V154-L175 HydrophobicContact CG1-CD1 4.09Å; A156-L175 HydrophobicContact CB-CB 3.93Å; A171-L175 VanDerWaalsContact O-CB 3.31Å; A171-L175 WeakPolarHBondContact O-CB 3.2Å; A171-L175 PolarHBondContact O-N 2.66Å; A172-L175 PolarHBondContact O-N 3.48Å; L175-T179 VanDerWaalsContact O-CB 3.23Å; L175-T179 WeakPolarHBondContact O-CB 3.23Å; L175-T179 PolarHBondContact O-N 2.94Å; L175-T179 PolarHBondContact O-OG1 2.77Å |
| 176 | F | 86.7 | Confident | 84.2 | Confident | 167 Ų | 167 | 83.8 Ų | 83.8 | 73% | 0.732 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.5 | -44.2 | 174.2 | -177.5 | -99.7 | 0 | 0 | 0 | 111.6 | A172 E173 K174 T179 G180 | A172-F176 VanDerWaalsContact O-CB 3.31Å; A172-F176 WeakPolarHBondContact O-CB 3.43Å; A172-F176 PolarHBondContact O-N 2.76Å; E173-F176 PolarHBondContact O-N 2.71Å; K174-F176 VanDerWaalsContact C-N 3.33Å; F176-T179 PolarHBondContact O-N 3.18Å; F176-G180 PolarHBondContact O-N 3.3Å |
| 177 | Y | 89.4 | Confident | 84.8 | Confident | 153 Ų | 153 | 78 Ų | 78 | 60% | 0.6 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -59.8 | -47.8 | 175 | 177.2 | -97.6 | 0 | 0 | 0 | 112.2 | E173 K174 G180 K181 | E173-Y177 WeakPolarHBondContact O-CB 3.49Å; E173-Y177 PolarHBondContact O-N 2.81Å; K174-Y177 PolarHBondContact O-N 2.91Å; Y177-G180 PolarHBondContact O-N 2.89Å; Y177-K181 HydrophobicContact CE1-CG 4.25Å; Y177-K181 PolarHBondContact O-N 2.61Å |
| 178 | V | 86 | Confident | 85.7 | Confident | 44 Ų | 44 | 80.8 Ų | 80.8 | 27% | 0.267 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.6 | -45.6 | 179.3 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | V154 K174 G180 K181 F182 | V154-V178 HydrophobicContact CG1-CB 4.37Å; V154-V178 HydrophobicContact CG1-CG1 3.85Å; V154-V178 HydrophobicContact CG2-CG1 3.9Å; K174-V178 WeakPolarHBondContact O-CG2 3.22Å; K174-V178 PolarHBondContact O-N 2.86Å; V178-G180 VanDerWaalsContact C-N 3.31Å; V178-G180 PolarHBondContact O-N 2.84Å; V178-K181 PolarHBondContact O-N 3.42Å; V178-K181 VanDerWaalsContact O-N 3.12Å; V178-F182 HydrophobicContact CG1-CD2 3.84Å; V178-F182 HydrophobicContact CG1-CE2 3.69Å; V178-F182 VanDerWaalsContact O-CD2 3.31Å; V178-F182 WeakPolarHBondContact O-CD2 3.32Å; V178-F182 PolarHBondContact O-N 2.98Å |
| 179 | T | 83.5 | Confident | 85.9 | Confident | 42 Ų | 42 | 75.9 Ų | 75.9 | 26% | 0.258 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58 | -43.5 | 174.2 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | L175 F176 K181 F182 L183 L209 | L175-T179 VanDerWaalsContact O-CB 3.23Å; L175-T179 WeakPolarHBondContact O-CB 3.23Å; L175-T179 PolarHBondContact O-N 2.94Å; L175-T179 PolarHBondContact O-OG1 2.77Å; F176-T179 PolarHBondContact O-N 3.18Å; T179-K181 VanDerWaalsContact C-N 3.3Å; T179-K181 PolarHBondContact O-N 2.74Å; T179-F182 PolarHBondContact O-N 3.07Å; T179-L183 HydrophobicContact CG2-CD1 4.05Å; T179-L183 HydrophobicContact CG2-CG 4.42Å; T179-L183 WeakPolarHBondContact O-CG 3.47Å; T179-L183 PolarHBondContact O-N 2.86Å; T179-L209 HydrophobicContact CG2-CD1 4.43Å |
| 180 | G | 88.8 | Confident | 86.1 | Confident | 35 Ų | 35 | 76.1 Ų | 76.1 | 36% | 0.361 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.2 | -37.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F176 Y177 V178 Q184 | F176-G180 PolarHBondContact O-N 3.3Å; Y177-G180 PolarHBondContact O-N 2.89Å; V178-G180 VanDerWaalsContact C-N 3.31Å; V178-G180 PolarHBondContact O-N 2.84Å; G180-Q184 WeakPolarHBondContact O-CB 3.38Å; G180-Q184 PolarHBondContact O-N 3.07Å |
| 181 | K | 88.9 | Confident | 86.6 | Confident | 93 Ų | 93 | 76.6 Ų | 76.6 | 40% | 0.404 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.6 | -38.3 | 174.1 | -73.7 | -72.6 | 163.4 | -163.3 | 0 | 113.1 | Y177 V178 T179 Q184 M185 | Y177-K181 HydrophobicContact CE1-CG 4.25Å; Y177-K181 PolarHBondContact O-N 2.61Å; V178-K181 PolarHBondContact O-N 3.42Å; V178-K181 VanDerWaalsContact O-N 3.12Å; T179-K181 VanDerWaalsContact C-N 3.3Å; T179-K181 PolarHBondContact O-N 2.74Å; K181-Q184 PolarHBondContact O-N 3.22Å; K181-M185 WeakPolarHBondContact O-CB 3.28Å; K181-M185 PolarHBondContact O-N 2.92Å |
| 182 | F | 85.6 | Confident | 87.3 | Confident | 58 Ų | 58 | 79.9 Ų | 79.9 | 25% | 0.254 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 172.6 | -82.9 | -69.2 | 0 | 0 | 0 | 112.9 | L152 V154 V178 T179 M185 R186 A207 | L152-F182 HydrophobicContact CD2-CE1 4.33Å; L152-F182 HydrophobicContact CD2-CE2 3.75Å; L152-F182 HydrophobicContact CD2-CZ 3.31Å; V154-F182 HydrophobicContact CG2-CE2 4.43Å; V178-F182 HydrophobicContact CG1-CD2 3.84Å; V178-F182 HydrophobicContact CG1-CE2 3.69Å; V178-F182 VanDerWaalsContact O-CD2 3.31Å; V178-F182 WeakPolarHBondContact O-CD2 3.32Å; V178-F182 PolarHBondContact O-N 2.98Å; T179-F182 PolarHBondContact O-N 3.07Å; F182-M185 HydrophobicContact CD1-CE 3.85Å; F182-M185 HydrophobicContact CE1-CE 4.09Å; F182-M185 PolarHBondContact O-N 3.16Å; F182-R186 VanDerWaalsContact O-CB 3.29Å; F182-R186 WeakPolarHBondContact O-CB 3.05Å; F182-R186 PolarHBondContact O-N 2.86Å; F182-A207 HydrophobicContact CD1-CB 4.5Å |
| 183 | L | 86.3 | Confident | 87.8 | Confident | 96 Ų | 96 | 79 Ų | 79 | 50% | 0.503 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.6 | -37.6 | 176.2 | -67.1 | 174.5 | 0 | 0 | 0 | 112.3 | T179 R186 E187 | T179-L183 HydrophobicContact CG2-CD1 4.05Å; T179-L183 HydrophobicContact CG2-CG 4.42Å; T179-L183 WeakPolarHBondContact O-CG 3.47Å; T179-L183 PolarHBondContact O-N 2.86Å; L183-R186 PolarHBondContact O-N 3.18Å; L183-E187 PolarHBondContact O-N 3.42Å; L183-E187 VanDerWaalsContact O-N 3.14Å |
| 184 | Q | 90.4 | Very high | 87.9 | Confident | 86 Ų | 86 | 80.2 Ų | 80.2 | 40% | 0.402 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.2 | -54.2 | 171.9 | -176.5 | -171.2 | -19.8 | 0 | 0 | 110.8 | G180 K181 R186 E187 E188 | G180-Q184 WeakPolarHBondContact O-CB 3.38Å; G180-Q184 PolarHBondContact O-N 3.07Å; K181-Q184 PolarHBondContact O-N 3.22Å; Q184-R186 VanDerWaalsContact C-N 3.3Å; Q184-R186 PolarHBondContact O-N 2.91Å; Q184-E187 PolarHBondContact O-N 2.96Å; Q184-E188 WeakPolarHBondContact CG-OE1 3.42Å; Q184-E188 PolarHBondContact NE2-OE1 3.4Å; Q184-E188 WeakPolarHBondContact O-CG 3.42Å; Q184-E188 PolarHBondContact O-N 3.4Å |
| 185 | M | 88.7 | Confident | 88 | Confident | 46 Ų | 46 | 83.6 Ų | 83.6 | 23% | 0.227 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -57.2 | -41.4 | 179.1 | -176.2 | -167.5 | 80.6 | 0 | 0 | 112.1 | K181 F182 E187 E188 E189 M205 A207 | K181-M185 WeakPolarHBondContact O-CB 3.28Å; K181-M185 PolarHBondContact O-N 2.92Å; F182-M185 HydrophobicContact CD1-CE 3.85Å; F182-M185 HydrophobicContact CE1-CE 4.09Å; F182-M185 PolarHBondContact O-N 3.16Å; M185-E187 PolarHBondContact O-N 3.41Å; M185-E188 PolarHBondContact O-N 3.49Å; M185-E189 WeakPolarHBondContact O-CG 3.36Å; M185-E189 PolarHBondContact O-N 3.35Å; M185-M205 HydrophobicContact CE-CE 3.63Å; M185-M205 HydrophobicContact CE-CG 4.32Å; M185-M205 HydrophobicContact CE-SD 3.69Å; M185-M205 HydrophobicContact CG-CE 3.99Å; M185-M205 HydrophobicContact SD-CE 3.47Å; M185-M205 WeakPolarHBondContact SD-CE 3.03Å; M185-M205 HydrophobicContact SD-SD 4.18Å; M185-A207 HydrophobicContact CE-CB 3.8Å |
| 186 | R | 87.1 | Confident | 88.2 | Confident | 90 Ų | 90 | 83.2 Ų | 83.2 | 34% | 0.34 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 177.6 | -173.8 | -172.3 | -166.8 | -115.9 | 8.5 | 112.7 | F182 L183 Q184 K190 A207 N208 | F182-R186 VanDerWaalsContact O-CB 3.29Å; F182-R186 WeakPolarHBondContact O-CB 3.05Å; F182-R186 PolarHBondContact O-N 2.86Å; L183-R186 PolarHBondContact O-N 3.18Å; Q184-R186 VanDerWaalsContact C-N 3.3Å; Q184-R186 PolarHBondContact O-N 2.91Å; R186-K190 WeakPolarHBondContact O-CB 3.37Å; R186-K190 PolarHBondContact O-N 3.16Å; R186-A207 WeakPolarHBondContact CD-O 3.37Å; R186-A207 PolarHBondContact NE-O 3.48Å; R186-N208 PolarHBondContact NH2-OD1 2.63Å |
| 187 | E | 89.4 | Confident | 87.9 | Confident | 91 Ų | 91 | 83.6 Ų | 83.6 | 43% | 0.425 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -74.7 | -29.2 | 176.1 | -67.5 | -67.2 | 127.4 | 0 | 0 | 112 | L183 Q184 M185 K190 A191 | L183-E187 PolarHBondContact O-N 3.42Å; L183-E187 VanDerWaalsContact O-N 3.14Å; Q184-E187 PolarHBondContact O-N 2.96Å; M185-E187 PolarHBondContact O-N 3.41Å; E187-K190 VanDerWaalsContact OE1-CD 3.32Å; E187-K190 WeakPolarHBondContact OE1-CD 3.49Å; E187-K190 IonicContact OE1-NZ 2.77Å; E187-K190 PolarHBondContact OE1-NZ 3.12Å; E187-K190 WeakPolarHBondContact OE2-CD 3.47Å; E187-K190 IonicContact OE2-NZ 3.16Å; E187-K190 PolarHBondContact OE2-NZ 3.16Å; E187-A191 VanDerWaalsContact O-CB 3.23Å; E187-A191 WeakPolarHBondContact O-CB 3.17Å; E187-A191 PolarHBondContact O-N 3.02Å |
| 188 | E | 91.5 | Very high | 87.6 | Confident | 100 Ų | 100 | 81.7 Ų | 81.7 | 47% | 0.467 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.3 | -45.3 | 170.5 | -72.1 | 170.6 | -172.8 | 0 | 0 | 112.2 | Q184 M185 A191 K192 | Q184-E188 WeakPolarHBondContact CG-OE1 3.42Å; Q184-E188 PolarHBondContact NE2-OE1 3.4Å; Q184-E188 WeakPolarHBondContact O-CG 3.42Å; Q184-E188 PolarHBondContact O-N 3.4Å; M185-E188 PolarHBondContact O-N 3.49Å; E188-A191 WeakPolarHBondContact O-CB 3.17Å; E188-A191 PolarHBondContact O-N 2.81Å; E188-K192 PolarHBondContact O-N 3.12Å; E188-K192 VanDerWaalsContact O-N 3.08Å |
| 189 | E | 90 | Very high | 87.5 | Confident | 25 Ų | 25 | 82.2 Ų | 82.2 | 12% | 0.117 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 175 | -71.3 | -65.1 | 120.8 | 0 | 0 | 112.3 | M185 A191 K192 L193 M205 | M185-E189 WeakPolarHBondContact O-CG 3.36Å; M185-E189 PolarHBondContact O-N 3.35Å; E189-A191 VanDerWaalsContact C-N 3.26Å; E189-A191 PolarHBondContact O-N 2.93Å; E189-K192 WeakPolarHBondContact O-CB 3.43Å; E189-K192 PolarHBondContact O-N 2.64Å; E189-K192 WeakPolarHBondContact OE1-CE 3.22Å; E189-K192 IonicContact OE1-NZ 3.01Å; E189-K192 PolarHBondContact OE1-NZ 3.24Å; E189-K192 IonicContact OE2-NZ 3.2Å; E189-L193 PolarHBondContact O-N 3.17Å; E189-M205 WeakPolarHBondContact CB-O 3.41Å; E189-M205 HydrophobicContact CG-CB 4Å; E189-M205 HydrophobicContact CG-CE 4.13Å; E189-M205 PolarHBondContact OE2-N 2.93Å |
| 190 | K | 88.8 | Confident | 87.3 | Confident | 95 Ų | 95 | 82 Ų | 82 | 41% | 0.413 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.9 | -36.3 | 172.8 | 177 | -169.8 | 173.9 | -162.5 | 0 | 112 | R186 E187 L193 L194 | R186-K190 WeakPolarHBondContact O-CB 3.37Å; R186-K190 PolarHBondContact O-N 3.16Å; E187-K190 VanDerWaalsContact OE1-CD 3.32Å; E187-K190 WeakPolarHBondContact OE1-CD 3.49Å; E187-K190 IonicContact OE1-NZ 2.77Å; E187-K190 PolarHBondContact OE1-NZ 3.12Å; E187-K190 WeakPolarHBondContact OE2-CD 3.47Å; E187-K190 IonicContact OE2-NZ 3.16Å; E187-K190 PolarHBondContact OE2-NZ 3.16Å; K190-L193 PolarHBondContact O-N 3.14Å; K190-L194 HydrophobicContact CG-CD1 4.23Å; K190-L194 WeakPolarHBondContact O-CG 3.41Å; K190-L194 PolarHBondContact O-N 3.48Å; K190-L194 VanDerWaalsContact O-N 3.07Å |
| 191 | A | 90 | Very high | 87 | Confident | 40 Ų | 40 | 84 Ų | 84 | 33% | 0.331 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.3 | -31.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | E187 E188 E189 N195 | E187-A191 VanDerWaalsContact O-CB 3.23Å; E187-A191 WeakPolarHBondContact O-CB 3.17Å; E187-A191 PolarHBondContact O-N 3.02Å; E188-A191 WeakPolarHBondContact O-CB 3.17Å; E188-A191 PolarHBondContact O-N 2.81Å; E189-A191 VanDerWaalsContact C-N 3.26Å; E189-A191 PolarHBondContact O-N 2.93Å; A191-N195 WeakPolarHBondContact O-CB 3.16Å; A191-N195 PolarHBondContact O-N 3.21Å; A191-N195 VanDerWaalsContact O-N 3.15Å; A191-N195 PolarHBondContact O-ND2 3.03Å |
| 192 | K | 90 | Very high | 86.5 | Confident | 106 Ų | 106 | 80 Ų | 80 | 46% | 0.461 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.1 | -52.9 | 170.4 | -63.5 | 172.7 | -177.6 | 174 | 0 | 110.7 | E188 E189 L194 N195 D196 L199 V204 | E188-K192 PolarHBondContact O-N 3.12Å; E188-K192 VanDerWaalsContact O-N 3.08Å; E189-K192 WeakPolarHBondContact O-CB 3.43Å; E189-K192 PolarHBondContact O-N 2.64Å; E189-K192 WeakPolarHBondContact OE1-CE 3.22Å; E189-K192 IonicContact OE1-NZ 3.01Å; E189-K192 PolarHBondContact OE1-NZ 3.24Å; E189-K192 IonicContact OE2-NZ 3.2Å; K192-L194 PolarHBondContact O-N 3.25Å; K192-N195 PolarHBondContact O-N 2.97Å; K192-D196 PolarHBondContact O-N 2.91Å; K192-L199 HydrophobicContact CB-CD1 4.08Å; K192-V204 HydrophobicContact CB-CG1 4.38Å |
| 193 | L | 88 | Confident | 86.4 | Confident | 51 Ų | 51 | 81.1 Ų | 81.1 | 27% | 0.267 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.1 | -34.8 | 179.8 | -174.6 | 64.7 | 0 | 0 | 0 | 113.2 | E189 K190 L199 T200 V201 V204 | E189-L193 PolarHBondContact O-N 3.17Å; K190-L193 PolarHBondContact O-N 3.14Å; L193-L199 HydrophobicContact CD1-CB 4.19Å; L193-L199 WeakPolarHBondContact CD1-O 3.25Å; L193-T200 WeakPolarHBondContact CD1-O 3.31Å; L193-V201 HydrophobicContact CD2-CG2 4.16Å; L193-V204 HydrophobicContact CB-CG1 4.11Å; L193-V204 HydrophobicContact CB-CG2 4.1Å; L193-V204 HydrophobicContact CD1-CG2 4.4Å; L193-V204 HydrophobicContact CD2-CG2 4.05Å; L193-V204 HydrophobicContact CG-CG2 4.42Å |
| 194 | L | 87.3 | Confident | 86.3 | Confident | 122 Ų | 122 | 77.1 Ų | 77.1 | 64% | 0.639 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -78.9 | -21.8 | 178.3 | -71.6 | 174.2 | 0 | 0 | 0 | 114.2 | K190 K192 | K190-L194 HydrophobicContact CG-CD1 4.23Å; K190-L194 WeakPolarHBondContact O-CG 3.41Å; K190-L194 PolarHBondContact O-N 3.48Å; K190-L194 VanDerWaalsContact O-N 3.07Å; K192-L194 PolarHBondContact O-N 3.25Å |
| 195 | N | 87.8 | Confident | 85.8 | Confident | 133 Ų | 133 | 77 Ų | 77 | 71% | 0.711 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -102.6 | -22.4 | -177.6 | -73.3 | -61.6 | 0 | 0 | 0 | 113.8 | A191 K192 | A191-N195 WeakPolarHBondContact O-CB 3.16Å; A191-N195 PolarHBondContact O-N 3.21Å; A191-N195 VanDerWaalsContact O-N 3.15Å; A191-N195 PolarHBondContact O-ND2 3.03Å; K192-N195 PolarHBondContact O-N 2.97Å |
| 196 | D | 87.2 | Confident | 85.2 | Confident | 75 Ų | 75 | 78 Ų | 78 | 40% | 0.401 | 41% | 0.41 | S | S | . | . | trans | -117 | 104 | 179 | -169.9 | -13.1 | 0 | 0 | 0 | 111.1 | K192 C198 L199 | K192-D196 PolarHBondContact O-N 2.91Å; D196-C198 PolarHBondContact O-N 3.43Å; D196-C198 VanDerWaalsContact OD1-CB 3.31Å; D196-C198 WeakPolarHBondContact OD1-CB 3.41Å; D196-C198 PolarHBondContact OD1-N 2.93Å; D196-L199 HydrophobicContact CB-CD1 3.96Å; D196-L199 HydrophobicContact CB-CG 4Å; D196-L199 PolarHBondContact O-N 2.97Å | ||
| 197 | H | 80.2 | Confident | 84.4 | Confident | 174 Ų | 174 | 74.8 Ų | 74.8 | 81% | 0.806 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -1.4 | 179.8 | -56.7 | -35.9 | 0 | 0 | 0 | 114.1 | ||
| 198 | C | 84 | Confident | 83.4 | Confident | 114 Ų | 114 | 75 Ų | 75 | 77% | 0.77 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -11 | 169.8 | -66.8 | 0 | 0 | 0 | 0 | 113.2 | D196 | D196-C198 PolarHBondContact O-N 3.43Å; D196-C198 VanDerWaalsContact OD1-CB 3.31Å; D196-C198 WeakPolarHBondContact OD1-CB 3.41Å; D196-C198 PolarHBondContact OD1-N 2.93Å |
| 199 | L | 83 | Confident | 81.9 | Confident | 55 Ų | 55 | 75.9 Ų | 75.9 | 29% | 0.288 | 41% | 0.414 | S | S | . | . | trans | -89.4 | 134.2 | 177.8 | -58.9 | 179.4 | 0 | 0 | 0 | 111.5 | K192 L193 D196 D203 V204 | K192-L199 HydrophobicContact CB-CD1 4.08Å; L193-L199 HydrophobicContact CD1-CB 4.19Å; L193-L199 WeakPolarHBondContact CD1-O 3.25Å; D196-L199 HydrophobicContact CB-CD1 3.96Å; D196-L199 HydrophobicContact CB-CG 4Å; D196-L199 PolarHBondContact O-N 2.97Å; L199-D203 HydrophobicContact CB-CB 4.41Å; L199-D203 HydrophobicContact CD2-CB 4.02Å; L199-V204 HydrophobicContact CD1-CG1 4.02Å | ||
| 200 | T | 81.2 | Confident | 80.3 | Confident | 37 Ų | 37 | 79.5 Ų | 79.5 | 23% | 0.227 | 44% | 0.438 | C | S | . | . | trans | -86.9 | 172.3 | 165.6 | 74.9 | 0 | 0 | 0 | 0 | 110.4 | L193 G202 D203 E247 | L193-T200 WeakPolarHBondContact CD1-O 3.31Å; T200-G202 PolarHBondContact O-N 3.27Å; T200-G202 PolarHBondContact OG1-N 3.4Å; T200-G202 VanDerWaalsContact OG1-N 3.16Å; T200-D203 WeakPolarHBondContact CA-OD2 3.39Å; T200-D203 VanDerWaalsContact CB-OD2 3.29Å; T200-D203 WeakPolarHBondContact CB-OD2 3.45Å; T200-D203 PolarHBondContact N-OD2 3.04Å; T200-D203 PolarHBondContact O-N 3.16Å; T200-D203 PolarHBondContact OG1-OD2 2.98Å; T200-E247 HydrophobicContact CG2-CG 4.2Å | ||
| 201 | V | 81.3 | Confident | 78.3 | Confident | 77 Ų | 77 | 82 Ų | 82 | 47% | 0.467 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -58.6 | -34.9 | 170.8 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | R147 L193 D203 V204 | R147-V201 PolarHBondContact NH2-O 3.05Å; L193-V201 HydrophobicContact CD2-CG2 4.16Å; V201-D203 VanDerWaalsContact C-N 3.27Å; V201-D203 PolarHBondContact O-N 3.35Å; V201-V204 PolarHBondContact O-N 3.18Å |
| 202 | G | 79.4 | Confident | 75.9 | Confident | 10 Ų | 10 | 83.7 Ų | 83.7 | 10% | 0.103 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -60.4 | -33.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T200 V204 | T200-G202 PolarHBondContact O-N 3.27Å; T200-G202 PolarHBondContact OG1-N 3.4Å; T200-G202 VanDerWaalsContact OG1-N 3.16Å; G202-V204 VanDerWaalsContact C-N 3.34Å; G202-V204 PolarHBondContact O-N 3.49Å |
| 203 | D | 82.4 | Confident | 73.8 | Confident | 80 Ų | 80 | 82.1 Ų | 82.1 | 43% | 0.428 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -78.7 | -10.1 | -172.8 | -56.3 | -67.1 | 0 | 0 | 0 | 114.8 | L199 T200 V201 | L199-D203 HydrophobicContact CB-CB 4.41Å; L199-D203 HydrophobicContact CD2-CB 4.02Å; T200-D203 WeakPolarHBondContact CA-OD2 3.39Å; T200-D203 VanDerWaalsContact CB-OD2 3.29Å; T200-D203 WeakPolarHBondContact CB-OD2 3.45Å; T200-D203 PolarHBondContact N-OD2 3.04Å; T200-D203 PolarHBondContact O-N 3.16Å; T200-D203 PolarHBondContact OG1-OD2 2.98Å; V201-D203 VanDerWaalsContact C-N 3.27Å; V201-D203 PolarHBondContact O-N 3.35Å |
| 204 | V | 83.9 | Confident | 71.4 | Confident | 12 Ų | 12 | 88.3 Ų | 88.3 | 7% | 0.073 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -115.1 | 147 | 179.4 | -60 | 0 | 0 | 0 | 0 | 112.8 | R147 K192 L193 L199 V201 G202 S206 | R147-V204 PolarHBondContact NH2-O 2.95Å; K192-V204 HydrophobicContact CB-CG1 4.38Å; L193-V204 HydrophobicContact CB-CG1 4.11Å; L193-V204 HydrophobicContact CB-CG2 4.1Å; L193-V204 HydrophobicContact CD1-CG2 4.4Å; L193-V204 HydrophobicContact CD2-CG2 4.05Å; L193-V204 HydrophobicContact CG-CG2 4.42Å; L199-V204 HydrophobicContact CD1-CG1 4.02Å; V201-V204 PolarHBondContact O-N 3.18Å; G202-V204 VanDerWaalsContact C-N 3.34Å; G202-V204 PolarHBondContact O-N 3.49Å; V204-S206 PolarHBondContact O-N 2.72Å |
| 205 | M | 80.1 | Confident | 69.6 | Low | 85 Ų | 85 | 85.4 Ų | 85.4 | 42% | 0.419 | 47% | 0.467 | S | S | . | . | trans | -77.9 | 118.5 | -179.1 | 169.3 | 172.8 | 47.6 | 0 | 0 | 111.4 | M185 E189 | M185-M205 HydrophobicContact CE-CE 3.63Å; M185-M205 HydrophobicContact CE-CG 4.32Å; M185-M205 HydrophobicContact CE-SD 3.69Å; M185-M205 HydrophobicContact CG-CE 3.99Å; M185-M205 HydrophobicContact SD-CE 3.47Å; M185-M205 WeakPolarHBondContact SD-CE 3.03Å; M185-M205 HydrophobicContact SD-SD 4.18Å; E189-M205 WeakPolarHBondContact CB-O 3.41Å; E189-M205 HydrophobicContact CG-CB 4Å; E189-M205 HydrophobicContact CG-CE 4.13Å; E189-M205 PolarHBondContact OE2-N 2.93Å | ||
| 206 | S | 76.4 | Confident | 68 | Low | 66 Ų | 66 | 85.6 Ų | 85.6 | 46% | 0.462 | 46% | 0.463 | S | S | . | . | trans | -100.8 | 109.9 | 173.7 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | V204 | V204-S206 PolarHBondContact O-N 2.72Š| ||
| 207 | A | 70 | Confident | 66.6 | Low | 23 Ų | 23 | 89.2 Ų | 89.2 | 19% | 0.19 | 48% | 0.483 | C | S | . | . | trans | -98.5 | 112.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | F182 M185 R186 | F182-A207 HydrophobicContact CD1-CB 4.5Å; M185-A207 HydrophobicContact CE-CB 3.8Å; R186-A207 WeakPolarHBondContact CD-O 3.37Å; R186-A207 PolarHBondContact NE-O 3.48Å | ||
| 208 | N | 68.5 | Low | 65.7 | Low | 95 Ų | 95 | 85.4 Ų | 85.4 | 51% | 0.508 | 47% | 0.471 | S | S | . | . | trans | -116.7 | 120.4 | 170 | -71.1 | -30.8 | 0 | 0 | 0 | 108.6 | R186 T210 | R186-N208 PolarHBondContact NH2-OD1 2.63Å; N208-T210 HydrophobicContact CB-CG2 4.43Å; N208-T210 PolarHBondContact O-N 3.45Å; N208-T210 VanDerWaalsContact O-N 3.15Å | ||
| 209 | L | 60.1 | Low | 65.2 | Low | 118 Ų | 118 | 81.3 Ų | 81.3 | 62% | 0.618 | 44% | 0.443 | S | S | * | . | trans | -89.7 | 83.5 | -168.7 | -157.1 | 159.3 | 0 | 0 | 0 | 110.4 | T179 | T179-L209 HydrophobicContact CG2-CD1 4.43Š| ||
| 210 | T | 57.2 | Low | 65.3 | Low | 102 Ų | 102 | 83.1 Ų | 83.1 | 63% | 0.626 | 46% | 0.456 | S | S | * | . | trans | -123.1 | -33.3 | -168.8 | 54.9 | 0 | 0 | 0 | 0 | 115.7 | N208 | N208-T210 HydrophobicContact CB-CG2 4.43Å; N208-T210 PolarHBondContact O-N 3.45Å; N208-T210 VanDerWaalsContact O-N 3.15Å | ||
| 211 | M | 45.3 | Very low | 65.7 | Low | 146 Ų | 146 | 81.5 Ų | 81.5 | 72% | 0.719 | 45% | 0.446 | S | S | * | . | trans | -153.1 | 174 | 178.1 | -138.6 | 174.3 | -72.6 | 0 | 0 | 113.4 | W151 | W151-M211 HydrophobicContact CE3-CB 4.26Å; W151-M211 HydrophobicContact CZ3-CB 4.05Å | ||
| 212 | L | 40.4 | Very low | 66.2 | Low | 77 Ų | 77 | 80.5 Ų | 80.5 | 40% | 0.403 | 44% | 0.441 | S | S | . | . | trans | -142.2 | 84.5 | -157.4 | -66.6 | 178.4 | 0 | 0 | 0 | 113.3 | L152 K153 | L152-L212 WeakPolarHBondContact O-CD2 3.11Å; K153-L212 HydrophobicContact CB-CB 3.89Å; K153-L212 HydrophobicContact CB-CD2 4.07Å; K153-L212 HydrophobicContact CB-CG 4.49Å; K153-L212 HydrophobicContact CD-CB 3.93Å; K153-L212 HydrophobicContact CG-CB 4.11Å | ||
| 213 | S | 45 | Very low | 66.7 | Low | 73 Ų | 73 | 83 Ų | 83 | 51% | 0.51 | 45% | 0.452 | S | S | . | . | trans | -134.3 | -139.6 | -179.3 | 62.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 214 | K | 39.3 | Very low | 67 | Low | 180 Ų | 180 | 81.6 Ų | 81.6 | 78% | 0.783 | 45% | 0.449 | S | S | * | . | trans | -136.8 | 147.3 | -172.5 | 170.1 | -166.7 | 163.5 | -148.1 | 0 | 110.8 | ||||
| 215 | E | 47.8 | Very low | 67.1 | Low | 62 Ų | 62 | 85.6 Ų | 85.6 | 29% | 0.29 | 47% | 0.474 | S | S | . | . | trans | -84.1 | 165 | 177.9 | -80.1 | -175.9 | 90.5 | 0 | 0 | 118.4 | W150 | W150-E215 PolarHBondContact NE1-OE1 3.23Š| ||
| 216 | E | 54.7 | Low | 67.5 | Low | 137 Ų | 137 | 88.6 Ų | 88.6 | 64% | 0.64 | 49% | 0.491 | S | S | * | . | trans | -128.9 | 163.8 | 157.1 | -60.3 | -170.4 | 148.4 | 0 | 0 | 109.9 | ||||
| 217 | N | 58.2 | Low | 68.3 | Low | 151 Ų | 151 | 86.7 Ų | 86.7 | 81% | 0.807 | 48% | 0.476 | S | S | * | . | trans | -75.3 | 149.8 | -166.1 | -63.6 | -51.5 | 0 | 0 | 0 | 115 | ||||
| 218 | T | 60.6 | Low | 69.3 | Low | 93 Ų | 93 | 88.5 Ų | 88.5 | 57% | 0.571 | 48% | 0.482 | S | S | * | . | trans | -56 | 140.5 | 163 | 38.5 | 0 | 0 | 0 | 0 | 111.5 | S148 | S148-T218 WeakPolarHBondContact OG-CA 3.42Å; S148-T218 WeakPolarHBondContact OG-CG2 3.47Å; S148-T218 PolarHBondContact OG-N 2.77Å; S148-T218 VanDerWaalsContact OG-N 3.09Å | ||
| 219 | T | 73.3 | Confident | 70.5 | Confident | 29 Ų | 29 | 85.2 Ų | 85.2 | 18% | 0.178 | 46% | 0.463 | C | S | . | . | trans | -140.7 | 148.1 | 172.1 | 61.1 | 0 | 0 | 0 | 0 | 110.1 | R259 | T219-R259 WeakPolarHBondContact OG1-CB 3.4Š| ||
| 220 | V | 85.3 | Confident | 72.1 | Confident | 93 Ų | 93 | 80.2 Ų | 80.2 | 56% | 0.564 | 44% | 0.436 | S | S | * | . | B | Isolated β-bridge | trans | -143.3 | 132.6 | -164.5 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | Y144 A145 | Y144-V220 HydrophobicContact CD2-CG1 3.89Å; Y144-V220 HydrophobicContact CE2-CG1 4.03Å; A145-V220 HydrophobicContact CB-CB 4.3Å; A145-V220 HydrophobicContact CB-CG1 4.16Å; A145-V220 HydrophobicContact CB-CG2 3.9Å |
| 221 | S | 91.1 | Very high | 73.9 | Confident | 2 Ų | 2 | 80.3 Ų | 80.3 | 1% | 0.014 | 43% | 0.425 | C | S | . | . | trans | -88.3 | 147.3 | 173.9 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | Y144 N223 R259 A265 Y266 | Y144-S221 WeakPolarHBondContact O-CB 3.35Å; Y144-S221 PolarHBondContact O-N 2.91Å; S221-N223 PolarHBondContact O-N 2.96Å; S221-R259 WeakPolarHBondContact OG-CD 3.17Å; S221-A265 WeakPolarHBondContact CB-O 3.36Å; S221-A265 PolarHBondContact OG-N 2.76Å; S221-A265 PolarHBondContact OG-O 3.33Å; S221-Y266 VanDerWaalsContact CB-CE1 3.5Å | ||
| 222 | P | 91.3 | Very high | 76.1 | Confident | 56 Ų | 56 | 74 Ų | 74 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | trans | -74.9 | 109.3 | -174.8 | -15.7 | 31.9 | 0 | 0 | 0 | 112.8 | S224 N227 W230 D264 Y266 | P222-S224 VanDerWaalsContact C-N 3.29Å; P222-S224 PolarHBondContact O-N 3.34Å; P222-N227 HydrophobicContact CB-CB 4.04Å; P222-W230 WeakPolarHBondContact O-CB 3.46Å; P222-D264 VanDerWaalsContact CD-OD1 3.29Å; P222-D264 WeakPolarHBondContact CD-OD1 3.08Å; P222-Y266 PolarHBondContact O-OH 3.07Å | ||
| 223 | N | 89.1 | Confident | 78.6 | Confident | 62 Ų | 62 | 70.4 Ų | 70.4 | 33% | 0.332 | 38% | 0.375 | S | S | . | . | trans | -87.6 | 40.8 | -179.8 | 67.4 | -20.9 | 0 | 0 | 0 | 114.1 | Y144 S221 W230 | Y144-N223 HydrophobicContact CD1-CB 4.04Å; Y144-N223 HydrophobicContact CD2-CB 3.91Å; Y144-N223 WeakPolarHBondContact CE1-ND2 3.37Å; Y144-N223 HydrophobicContact CE2-CB 4.48Å; Y144-N223 HydrophobicContact CG-CB 3.67Å; S221-N223 PolarHBondContact O-N 2.96Å; N223-W230 HydrophobicContact CB-CD2 4.09Å; N223-W230 HydrophobicContact CB-CE3 4.26Å; N223-W230 HydrophobicContact CB-CH2 4.47Å; N223-W230 HydrophobicContact CB-CZ2 4.31Å; N223-W230 HydrophobicContact CB-CZ3 4.43Å; N223-W230 PolarHBondContact O-NE1 2.64Å | ||
| 224 | S | 88.4 | Confident | 80.9 | Confident | 52 Ų | 52 | 67 Ų | 67 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -126 | 153.9 | -176.6 | 76 | 0 | 0 | 0 | 0 | 113.1 | P222 N226 N227 | P222-S224 VanDerWaalsContact C-N 3.29Å; P222-S224 PolarHBondContact O-N 3.34Å; S224-N226 PolarHBondContact O-N 3Å; S224-N227 WeakPolarHBondContact O-CB 3.4Å; S224-N227 PolarHBondContact O-N 3.27Å |
| 225 | T | 86.7 | Confident | 83.4 | Confident | 96 Ų | 96 | 61.6 Ų | 61.6 | 59% | 0.589 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -9.2 | -179.4 | 52.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 226 | N | 89.1 | Confident | 85.5 | Confident | 148 Ų | 148 | 58.8 Ų | 58.8 | 79% | 0.791 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -20.6 | 172.1 | -66.5 | -28.5 | 0 | 0 | 0 | 112.6 | S224 | S224-N226 PolarHBondContact O-N 3Š|
| 227 | N | 92.8 | Very high | 87.3 | Confident | 25 Ų | 25 | 52.2 Ų | 52.2 | 13% | 0.134 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -84.1 | 137.3 | 174.4 | 176.9 | -75.5 | 0 | 0 | 0 | 110.2 | P222 S224 W229 W230 R231 D264 Y266 | P222-N227 HydrophobicContact CB-CB 4.04Å; S224-N227 WeakPolarHBondContact O-CB 3.4Å; S224-N227 PolarHBondContact O-N 3.27Å; N227-W229 PolarHBondContact OD1-N 3.49Å; N227-W230 HydrophobicContact CB-CB 4.22Å; N227-W230 PolarHBondContact OD1-N 3.42Å; N227-R231 WeakPolarHBondContact O-CB 3.47Å; N227-R231 PolarHBondContact O-N 3.44Å; N227-R231 VanDerWaalsContact O-N 3.16Å; N227-D264 PolarHBondContact ND2-OD2 3.37Å; N227-D264 PolarHBondContact OD1-OD2 2.79Å; N227-Y266 PolarHBondContact OD1-OH 3.13Å |
| 228 | L | 91.9 | Very high | 88.9 | Confident | 61 Ų | 61 | 50.4 Ų | 50.4 | 32% | 0.319 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.1 | -51.5 | -177.4 | 177 | 60.1 | 0 | 0 | 0 | 112 | R231 T232 A307 | L228-R231 PolarHBondContact O-N 2.86Å; L228-T232 PolarHBondContact O-N 2.76Å; L228-T232 PolarHBondContact O-OG1 2.76Å; L228-T232 VanDerWaalsContact O-OG1 3.09Å; L228-A307 HydrophobicContact CD1-CB 4.27Å |
| 229 | W | 92.8 | Very high | 90.4 | Very high | 26 Ų | 26 | 52.8 Ų | 52.8 | 10% | 0.098 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.9 | -49.1 | -172.9 | -50.7 | 126.5 | 0 | 0 | 0 | 111.7 | P67 G126 L127 N227 R231 T232 I233 Y266 L304 A307 C308 | P67-W229 HydrophobicContact CB-CZ2 4.46Å; G126-W229 VanDerWaalsContact CA-CZ2 3.47Å; G126-W229 PolarHBondContact O-NE1 2.81Å; L127-W229 HydrophobicContact CB-CB 4.29Å; L127-W229 HydrophobicContact CB-CD2 3.99Å; L127-W229 HydrophobicContact CB-CG 3.86Å; L127-W229 HydrophobicContact CD2-CB 4.24Å; L127-W229 HydrophobicContact CD2-CD2 3.49Å; L127-W229 VanDerWaalsContact CD2-CD2 3.49Å; L127-W229 HydrophobicContact CD2-CE3 3.22Å; L127-W229 HydrophobicContact CD2-CG 3.97Å; L127-W229 HydrophobicContact CD2-CH2 4.26Å; L127-W229 HydrophobicContact CD2-CZ3 3.64Å; L127-W229 HydrophobicContact CG-CD2 4.36Å; L127-W229 HydrophobicContact CG-CE3 4.48Å; L127-W229 HydrophobicContact CG-CG 4.49Å; N227-W229 PolarHBondContact OD1-N 3.49Å; W229-R231 VanDerWaalsContact C-N 3.31Å; W229-R231 PolarHBondContact O-N 3.05Å; W229-T232 PolarHBondContact O-N 2.79Å; W229-T232 VanDerWaalsContact O-N 3.09Å; W229-I233 VanDerWaalsContact O-CG1 3.31Å; W229-I233 WeakPolarHBondContact O-CG1 3.4Å; W229-I233 PolarHBondContact O-N 2.89Å; W229-Y266 HydrophobicContact CB-CE2 3.98Å; W229-L304 HydrophobicContact CE3-CD2 4.39Å; W229-A307 HydrophobicContact CZ3-CB 4.48Å; W229-C308 VanDerWaalsContact CH2-SG 3.52Å |
| 230 | W | 94.1 | Very high | 91.1 | Very high | 14 Ų | 14 | 53.6 Ų | 53.6 | 5% | 0.053 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.2 | -43.2 | 175.4 | -178.9 | -97.6 | 0 | 0 | 0 | 112.1 | V142 P222 N223 N227 T232 I233 A234 Y244 Y266 | V142-W230 HydrophobicContact CB-CH2 3.95Å; V142-W230 HydrophobicContact CB-CZ3 3.97Å; V142-W230 HydrophobicContact CG1-CH2 4.12Å; V142-W230 HydrophobicContact CG1-CZ3 3.62Å; P222-W230 WeakPolarHBondContact O-CB 3.46Å; N223-W230 HydrophobicContact CB-CD2 4.09Å; N223-W230 HydrophobicContact CB-CE3 4.26Å; N223-W230 HydrophobicContact CB-CH2 4.47Å; N223-W230 HydrophobicContact CB-CZ2 4.31Å; N223-W230 HydrophobicContact CB-CZ3 4.43Å; N223-W230 PolarHBondContact O-NE1 2.64Å; N227-W230 HydrophobicContact CB-CB 4.22Å; N227-W230 PolarHBondContact OD1-N 3.42Å; W230-T232 VanDerWaalsContact C-N 3.32Å; W230-T232 PolarHBondContact O-N 2.74Å; W230-I233 PolarHBondContact O-N 3.16Å; W230-A234 WeakPolarHBondContact O-CB 3.25Å; W230-A234 PolarHBondContact O-N 3.35Å; W230-Y244 HydrophobicContact CZ2-CE2 4.4Å; W230-Y266 HydrophobicContact CB-CE1 4.4Å; W230-Y266 HydrophobicContact CD2-CE1 4.43Å; W230-Y266 AromaticContact CE3-CD1 3.74Å; W230-Y266 HydrophobicContact CE3-CD1 3.74Å; W230-Y266 AromaticContact CE3-CE1 3.52Å; W230-Y266 HydrophobicContact CE3-CE1 3.52Å; W230-Y266 HydrophobicContact CZ3-CD1 4.05Å; W230-Y266 HydrophobicContact CZ3-CE1 4.23Å |
| 231 | R | 93.9 | Very high | 91.4 | Very high | 104 Ų | 104 | 58.2 Ų | 58.2 | 39% | 0.392 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 175.6 | -177.2 | -178.6 | 64.5 | -151.4 | 1.5 | 111.7 | N227 L228 W229 N235 | N227-R231 WeakPolarHBondContact O-CB 3.47Å; N227-R231 PolarHBondContact O-N 3.44Å; N227-R231 VanDerWaalsContact O-N 3.16Å; L228-R231 PolarHBondContact O-N 2.86Å; W229-R231 VanDerWaalsContact C-N 3.31Å; W229-R231 PolarHBondContact O-N 3.05Å; R231-N235 VanDerWaalsContact O-CB 3.3Å; R231-N235 WeakPolarHBondContact O-CB 3.37Å; R231-N235 PolarHBondContact O-N 3.09Å; R231-N235 PolarHBondContact O-ND2 2.83Å; R231-N235 PolarHBondContact O-OD1 3.21Å |
| 232 | T | 91.7 | Very high | 91.3 | Very high | 13 Ų | 13 | 60.2 Ų | 60.2 | 8% | 0.08 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.8 | -41 | 176.6 | -61.9 | 0 | 0 | 0 | 0 | 112 | L228 W229 W230 N235 V236 S303 L304 A307 | L228-T232 PolarHBondContact O-N 2.76Å; L228-T232 PolarHBondContact O-OG1 2.76Å; L228-T232 VanDerWaalsContact O-OG1 3.09Å; W229-T232 PolarHBondContact O-N 2.79Å; W229-T232 VanDerWaalsContact O-N 3.09Å; W230-T232 VanDerWaalsContact C-N 3.32Å; W230-T232 PolarHBondContact O-N 2.74Å; T232-N235 PolarHBondContact O-N 2.97Å; T232-V236 WeakPolarHBondContact O-CG2 3.32Å; T232-V236 PolarHBondContact O-N 3.25Å; T232-V236 VanDerWaalsContact O-N 3.08Å; T232-S303 WeakPolarHBondContact CG2-O 3.26Å; T232-L304 HydrophobicContact CG2-CD2 3.63Å; T232-L304 HydrophobicContact CG2-CG 4.08Å; T232-A307 HydrophobicContact CG2-CB 4.08Å; T232-A307 WeakPolarHBondContact OG1-CB 3.43Å |
| 233 | I | 93.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.9 | -49.7 | 173.6 | -65.1 | 166.6 | 0 | 0 | 0 | 110.5 | L129 V142 W229 W230 V236 F237 Y266 L300 L304 | L129-I233 HydrophobicContact CD2-CD1 4.22Å; V142-I233 HydrophobicContact CG1-CG2 4.12Å; W229-I233 VanDerWaalsContact O-CG1 3.31Å; W229-I233 WeakPolarHBondContact O-CG1 3.4Å; W229-I233 PolarHBondContact O-N 2.89Å; W230-I233 PolarHBondContact O-N 3.16Å; I233-V236 PolarHBondContact O-N 3.09Å; I233-F237 HydrophobicContact CG2-CD2 4.03Å; I233-F237 HydrophobicContact CG2-CE2 3.35Å; I233-F237 HydrophobicContact CG2-CZ 4.03Å; I233-F237 WeakPolarHBondContact O-CD2 3.17Å; I233-F237 PolarHBondContact O-N 2.89Å; I233-Y266 HydrophobicContact CD1-CD1 4.45Å; I233-Y266 HydrophobicContact CD1-CD2 3.66Å; I233-Y266 HydrophobicContact CD1-CE2 4.17Å; I233-Y266 HydrophobicContact CD1-CG 3.82Å; I233-L300 HydrophobicContact CB-CD1 4.47Å; I233-L300 HydrophobicContact CG1-CD1 4.21Å; I233-L300 HydrophobicContact CG2-CD1 4.47Å; I233-L304 HydrophobicContact CG1-CD2 4.06Å |
| 234 | A | 93.7 | Very high | 91.4 | Very high | 3 Ų | 3 | 63 Ų | 63 | 3% | 0.025 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.2 | -50.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | W230 V236 F237 E238 Y244 | W230-A234 WeakPolarHBondContact O-CB 3.25Å; W230-A234 PolarHBondContact O-N 3.35Å; A234-V236 VanDerWaalsContact C-N 3.26Å; A234-V236 PolarHBondContact O-N 2.68Å; A234-F237 PolarHBondContact O-N 3.15Å; A234-F237 VanDerWaalsContact O-N 3.14Å; A234-E238 WeakPolarHBondContact O-CG 3.32Å; A234-E238 PolarHBondContact O-N 2.67Å; A234-Y244 HydrophobicContact CB-CE2 4.13Å; A234-Y244 VanDerWaalsContact CB-OH 3.32Å; A234-Y244 WeakPolarHBondContact CB-OH 3.46Å |
| 235 | N | 92.5 | Very high | 91.5 | Very high | 65 Ų | 65 | 64.2 Ų | 64.2 | 35% | 0.348 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.6 | -37.5 | 178.6 | -73.3 | -7.8 | 0 | 0 | 0 | 112.5 | R231 T232 Q239 | R231-N235 VanDerWaalsContact O-CB 3.3Å; R231-N235 WeakPolarHBondContact O-CB 3.37Å; R231-N235 PolarHBondContact O-N 3.09Å; R231-N235 PolarHBondContact O-ND2 2.83Å; R231-N235 PolarHBondContact O-OD1 3.21Å; T232-N235 PolarHBondContact O-N 2.97Å; N235-Q239 VanDerWaalsContact O-CB 3.29Å; N235-Q239 WeakPolarHBondContact O-CB 2.97Å; N235-Q239 WeakPolarHBondContact O-CG 2.94Å; N235-Q239 PolarHBondContact O-N 2.7Å |
| 236 | V | 91 | Very high | 91.6 | Very high | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 177.8 | 168.5 | 0 | 0 | 0 | 0 | 111.2 | T232 I233 A234 Q239 L240 L300 S303 | T232-V236 WeakPolarHBondContact O-CG2 3.32Å; T232-V236 PolarHBondContact O-N 3.25Å; T232-V236 VanDerWaalsContact O-N 3.08Å; I233-V236 PolarHBondContact O-N 3.09Å; A234-V236 VanDerWaalsContact C-N 3.26Å; A234-V236 PolarHBondContact O-N 2.68Å; V236-Q239 PolarHBondContact O-N 3.06Å; V236-L240 HydrophobicContact CG1-CD1 3.85Å; V236-L240 WeakPolarHBondContact O-CB 3.47Å; V236-L240 VanDerWaalsContact O-CG 3.29Å; V236-L240 WeakPolarHBondContact O-CG 3.44Å; V236-L240 PolarHBondContact O-N 2.84Å; V236-L300 HydrophobicContact CB-CD1 4.11Å; V236-L300 HydrophobicContact CG1-CB 4.25Å; V236-L300 HydrophobicContact CG1-CD1 4.11Å; V236-L300 HydrophobicContact CG2-CD1 4.13Å; V236-S303 WeakPolarHBondContact CG2-OG 3.31Å |
| 237 | F | 92.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.5 | -35.4 | 179.6 | -58.8 | -37.7 | 0 | 0 | 0 | 112 | V142 I233 A234 L240 E241 F242 Y244 F268 I296 L300 | V142-F237 HydrophobicContact CG2-CD2 4.26Å; V142-F237 HydrophobicContact CG2-CE2 3.57Å; V142-F237 HydrophobicContact CG2-CZ 4.41Å; I233-F237 HydrophobicContact CG2-CD2 4.03Å; I233-F237 HydrophobicContact CG2-CE2 3.35Å; I233-F237 HydrophobicContact CG2-CZ 4.03Å; I233-F237 WeakPolarHBondContact O-CD2 3.17Å; I233-F237 PolarHBondContact O-N 2.89Å; A234-F237 PolarHBondContact O-N 3.15Å; A234-F237 VanDerWaalsContact O-N 3.14Å; F237-L240 PolarHBondContact O-N 3.33Å; F237-E241 PolarHBondContact O-N 3Å; F237-F242 HydrophobicContact CB-CB 4.27Å; F237-F242 AromaticContact CD1-CD2 4Å; F237-F242 HydrophobicContact CD1-CD2 4Å; F237-F242 PolarHBondContact O-N 3.44Å; F237-Y244 HydrophobicContact CB-CD1 3.55Å; F237-Y244 HydrophobicContact CB-CE1 4.17Å; F237-Y244 HydrophobicContact CB-CG 3.93Å; F237-Y244 HydrophobicContact CD2-CD1 4.26Å; F237-Y244 HydrophobicContact CD2-CD2 4.07Å; F237-Y244 AromaticContact CD2-CG 3.77Å; F237-Y244 HydrophobicContact CD2-CG 3.77Å; F237-Y244 HydrophobicContact CG-CD1 4.37Å; F237-Y244 HydrophobicContact CG-CG 4.26Å; F237-F268 HydrophobicContact CE1-CE1 4.47Å; F237-F268 AromaticContact CE1-CE2 3.93Å; F237-F268 HydrophobicContact CE1-CE2 3.93Å; F237-F268 AromaticContact CE1-CZ 3.77Å; F237-F268 HydrophobicContact CE1-CZ 3.77Å; F237-F268 HydrophobicContact CE2-CE2 4.26Å; F237-F268 AromaticContact CZ-CD2 3.88Å; F237-F268 HydrophobicContact CZ-CD2 3.88Å; F237-F268 HydrophobicContact CZ-CE1 4.3Å; F237-F268 AromaticContact CZ-CE2 3.42Å; F237-F268 HydrophobicContact CZ-CE2 3.42Å; F237-F268 VanDerWaalsContact CZ-CE2 3.42Å; F237-F268 HydrophobicContact CZ-CG 4.49Å; F237-F268 AromaticContact CZ-CZ 3.66Å; F237-F268 HydrophobicContact CZ-CZ 3.66Å; F237-I296 HydrophobicContact CE1-CG2 4.19Å; F237-L300 HydrophobicContact CZ-CD2 4.37Å |
| 238 | E | 92.7 | Very high | 91.2 | Very high | 113 Ų | 113 | 55.6 Ų | 55.6 | 53% | 0.528 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 172.2 | -69.2 | 173.5 | -160 | 0 | 0 | 112.3 | A234 L240 E241 Y244 | A234-E238 WeakPolarHBondContact O-CG 3.32Å; A234-E238 PolarHBondContact O-N 2.67Å; E238-L240 VanDerWaalsContact C-N 3.3Å; E238-L240 PolarHBondContact O-N 3.49Å; E238-E241 PolarHBondContact O-N 3.1Å; E238-Y244 HydrophobicContact CG-CE1 3.88Å; E238-Y244 PolarHBondContact OE1-OH 2.69Å |
| 239 | Q | 90.5 | Very high | 90.8 | Very high | 142 Ų | 142 | 53 Ų | 53 | 66% | 0.664 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -66.3 | -28.4 | 176.5 | -77.1 | 172.8 | 9.8 | 0 | 0 | 113.9 | N235 V236 E241 | N235-Q239 VanDerWaalsContact O-CB 3.29Å; N235-Q239 WeakPolarHBondContact O-CB 2.97Å; N235-Q239 WeakPolarHBondContact O-CG 2.94Å; N235-Q239 PolarHBondContact O-N 2.7Å; V236-Q239 PolarHBondContact O-N 3.06Å; Q239-E241 VanDerWaalsContact C-N 3.32Å |
| 240 | L | 89.5 | Confident | 90 | Very high | 47 Ų | 47 | 54.7 Ų | 54.7 | 25% | 0.246 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 8 | 176.6 | -64.1 | 174.2 | 0 | 0 | 0 | 113 | V236 F237 E238 F242 H299 | V236-L240 HydrophobicContact CG1-CD1 3.85Å; V236-L240 WeakPolarHBondContact O-CB 3.47Å; V236-L240 VanDerWaalsContact O-CG 3.29Å; V236-L240 WeakPolarHBondContact O-CG 3.44Å; V236-L240 PolarHBondContact O-N 2.84Å; F237-L240 PolarHBondContact O-N 3.33Å; E238-L240 VanDerWaalsContact C-N 3.3Å; E238-L240 PolarHBondContact O-N 3.49Å; L240-F242 HydrophobicContact CB-CD1 4.05Å; L240-F242 HydrophobicContact CB-CD2 3.81Å; L240-F242 HydrophobicContact CB-CE1 3.91Å; L240-F242 HydrophobicContact CB-CE2 3.64Å; L240-F242 HydrophobicContact CB-CG 4Å; L240-F242 HydrophobicContact CB-CZ 3.7Å; L240-F242 HydrophobicContact CD1-CD2 4.23Å; L240-F242 HydrophobicContact CD1-CE2 3.57Å; L240-F242 HydrophobicContact CD1-CZ 4.02Å; L240-F242 HydrophobicContact CG-CE2 4.24Å; L240-F242 HydrophobicContact CG-CZ 4.4Å; L240-F242 WeakPolarHBondContact O-CD1 3.32Å; L240-F242 VanDerWaalsContact O-CE1 3.25Å; L240-F242 WeakPolarHBondContact O-CE1 3.42Å; L240-F242 PolarHBondContact O-N 3.23Å; L240-H299 HydrophobicContact CD1-CB 4.13Å |
| 241 | E | 91.5 | Very high | 89.2 | Confident | 189 Ų | 189 | 55.1 Ų | 55.1 | 88% | 0.883 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 29.4 | -176.8 | -56 | -169.8 | 128.9 | 0 | 0 | 113.8 | F237 E238 Q239 | F237-E241 PolarHBondContact O-N 3Å; E238-E241 PolarHBondContact O-N 3.1Å; Q239-E241 VanDerWaalsContact C-N 3.32Å |
| 242 | F | 88.7 | Confident | 88.4 | Confident | 44 Ų | 44 | 51 Ų | 51 | 19% | 0.193 | 25% | 0.252 | C | S | . | . | trans | -90.1 | 137.6 | -179.6 | -63.7 | -14.4 | 0 | 0 | 0 | 112.3 | Y140 F237 L240 I296 | Y140-F242 HydrophobicContact CD2-CB 3.9Å; Y140-F242 AromaticContact CD2-CD2 3.89Å; Y140-F242 HydrophobicContact CD2-CD2 3.89Å; Y140-F242 AromaticContact CD2-CG 4Å; Y140-F242 HydrophobicContact CD2-CG 4Å; Y140-F242 HydrophobicContact CE2-CB 4.07Å; Y140-F242 HydrophobicContact CE2-CD1 4.18Å; Y140-F242 AromaticContact CE2-CD2 3.58Å; Y140-F242 HydrophobicContact CE2-CD2 3.58Å; Y140-F242 HydrophobicContact CE2-CE2 4.05Å; Y140-F242 AromaticContact CE2-CG 3.68Å; Y140-F242 HydrophobicContact CE2-CG 3.68Å; F237-F242 HydrophobicContact CB-CB 4.27Å; F237-F242 AromaticContact CD1-CD2 4Å; F237-F242 HydrophobicContact CD1-CD2 4Å; F237-F242 PolarHBondContact O-N 3.44Å; L240-F242 HydrophobicContact CB-CD1 4.05Å; L240-F242 HydrophobicContact CB-CD2 3.81Å; L240-F242 HydrophobicContact CB-CE1 3.91Å; L240-F242 HydrophobicContact CB-CE2 3.64Å; L240-F242 HydrophobicContact CB-CG 4Å; L240-F242 HydrophobicContact CB-CZ 3.7Å; L240-F242 HydrophobicContact CD1-CD2 4.23Å; L240-F242 HydrophobicContact CD1-CE2 3.57Å; L240-F242 HydrophobicContact CD1-CZ 4.02Å; L240-F242 HydrophobicContact CG-CE2 4.24Å; L240-F242 HydrophobicContact CG-CZ 4.4Å; L240-F242 WeakPolarHBondContact O-CD1 3.32Å; L240-F242 VanDerWaalsContact O-CE1 3.25Å; L240-F242 WeakPolarHBondContact O-CE1 3.42Å; L240-F242 PolarHBondContact O-N 3.23Å; F242-I296 HydrophobicContact CD2-CD1 4.39Å; F242-I296 HydrophobicContact CE2-CD1 3.47Å; F242-I296 VanDerWaalsContact CE2-CD1 3.47Å; F242-I296 HydrophobicContact CE2-CG1 3.6Å; F242-I296 HydrophobicContact CE2-CG2 4.21Å; F242-I296 HydrophobicContact CZ-CD1 3.78Å; F242-I296 HydrophobicContact CZ-CG1 3.87Å | ||
| 243 | K | 90.7 | Very high | 88.1 | Confident | 111 Ų | 111 | 50.4 Ų | 50.4 | 48% | 0.483 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 132.4 | 161.7 | -62.1 | 165.9 | 178 | 166.5 | 0 | 109 | D138 I139 Y140 | D138-K243 WeakPolarHBondContact OD1-CD 3.49Å; D138-K243 IonicContact OD1-NZ 2.72Å; D138-K243 PolarHBondContact OD1-NZ 2.66Å; D138-K243 IonicContact OD2-NZ 2.65Å; D138-K243 PolarHBondContact OD2-NZ 2.93Å; I139-K243 HydrophobicContact CB-CB 4.29Å; I139-K243 HydrophobicContact CG1-CB 3.99Å; I139-K243 HydrophobicContact CG1-CD 4.04Å; I139-K243 HydrophobicContact CG2-CB 4.19Å; Y140-K243 PolarHBondContact N-O 2.82Å |
| 244 | Y | 91.6 | Very high | 87.8 | Confident | 66 Ų | 66 | 50.4 Ų | 50.4 | 26% | 0.259 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 159.2 | 173.7 | 71.2 | -79.5 | 0 | 0 | 0 | 111.3 | Y140 W230 A234 F237 E238 | Y140-Y244 CarbonylContact O-C 3.51Å; Y140-Y244 WeakPolarHBondContact O-CA 3.49Å; W230-Y244 HydrophobicContact CZ2-CE2 4.4Å; A234-Y244 HydrophobicContact CB-CE2 4.13Å; A234-Y244 VanDerWaalsContact CB-OH 3.32Å; A234-Y244 WeakPolarHBondContact CB-OH 3.46Å; F237-Y244 HydrophobicContact CB-CD1 3.55Å; F237-Y244 HydrophobicContact CB-CE1 4.17Å; F237-Y244 HydrophobicContact CB-CG 3.93Å; F237-Y244 HydrophobicContact CD2-CD1 4.26Å; F237-Y244 HydrophobicContact CD2-CD2 4.07Å; F237-Y244 AromaticContact CD2-CG 3.77Å; F237-Y244 HydrophobicContact CD2-CG 3.77Å; F237-Y244 HydrophobicContact CG-CD1 4.37Å; F237-Y244 HydrophobicContact CG-CG 4.26Å; E238-Y244 HydrophobicContact CG-CE1 3.88Å; E238-Y244 PolarHBondContact OE1-OH 2.69Å |
| 245 | R | 90.6 | Very high | 87.5 | Confident | 77 Ų | 77 | 50.3 Ų | 50.3 | 29% | 0.291 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 146.3 | 170.5 | 73.6 | -172.2 | -162.7 | -158.2 | 14.6 | 112.1 | D137 I139 Y140 R141 V142 E247 | D137-R245 IonicContact OD2-NH1 2.69Å; I139-R245 HydrophobicContact CG2-CB 4.28Å; I139-R245 HydrophobicContact CG2-CG 4.18Å; Y140-R245 PolarHBondContact O-N 2.73Å; R141-R245 HydrophobicContact CG-CG 4.26Å; R141-R245 VanDerWaalsContact CZ-NH2 3.3Å; V142-R245 PolarHBondContact N-O 2.98Å; R245-E247 IonicContact CZ-OE2 3.29Å; R245-E247 IonicContact NE-OE2 3.55Å; R245-E247 PolarHBondContact NE-OE2 2.91Å; R245-E247 VanDerWaalsContact NH2-CD 3.27Å; R245-E247 IonicContact NH2-OE1 3.78Å; R245-E247 PolarHBondContact NH2-OE1 3.5Å; R245-E247 IonicContact NH2-OE2 3.06Å; R245-E247 PolarHBondContact NH2-OE2 2.95Å |
| 246 | S | 89.3 | Confident | 87.2 | Confident | 52 Ų | 52 | 49.2 Ų | 49.2 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 130.4 | 167.5 | 60.4 | 0 | 0 | 0 | 0 | 110 | V142 | V142-S246 WeakPolarHBondContact O-CA 3.46Å |
| 247 | E | 87.2 | Confident | 87 | Confident | 17 Ų | 17 | 50 Ų | 50 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 164.4 | -179.8 | -166.7 | 158.8 | -175.7 | 0 | 0 | 110.8 | R141 V142 Y143 Y144 T200 R245 | R141-E247 WeakPolarHBondContact CD-OE2 3.03Å; R141-E247 IonicContact NE-OE2 3.5Å; V142-E247 PolarHBondContact O-N 3.33Å; Y143-E247 VanDerWaalsContact CA-O 3.29Å; Y143-E247 WeakPolarHBondContact CA-O 3.36Å; Y143-E247 HydrophobicContact CD1-CB 4.03Å; Y143-E247 HydrophobicContact CD1-CG 4.47Å; Y143-E247 HydrophobicContact CE1-CB 4Å; Y143-E247 HydrophobicContact CE1-CG 4.19Å; Y144-E247 WeakPolarHBondContact CD1-O 3.24Å; Y144-E247 WeakPolarHBondContact CE1-O 3.39Å; Y144-E247 PolarHBondContact N-O 3.45Å; T200-E247 HydrophobicContact CG2-CG 4.2Å; R245-E247 IonicContact CZ-OE2 3.29Å; R245-E247 IonicContact NE-OE2 3.55Å; R245-E247 PolarHBondContact NE-OE2 2.91Å; R245-E247 VanDerWaalsContact NH2-CD 3.27Å; R245-E247 IonicContact NH2-OE1 3.78Å; R245-E247 PolarHBondContact NH2-OE1 3.5Å; R245-E247 IonicContact NH2-OE2 3.06Å; R245-E247 PolarHBondContact NH2-OE2 2.95Å |
| 248 | V | 85.6 | Confident | 86.9 | Confident | 20 Ų | 20 | 50 Ų | 50 | 12% | 0.121 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 125.7 | 172.4 | -179.1 | 0 | 0 | 0 | 0 | 108.3 | Y144 A145 | Y144-V248 HydrophobicContact CE1-CG2 4.24Å; A145-V248 HydrophobicContact CB-CG1 4.23Å; A145-V248 HydrophobicContact CB-CG2 4.4Å |
| 249 | F | 83.5 | Confident | 86.8 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 137.6 | 179.9 | -165.3 | -104.7 | 0 | 0 | 0 | 111.1 | E131 V133 Y143 A145 E146 R147 G251 T253 | E131-F249 HydrophobicContact CG-CZ 4.31Å; E131-F249 WeakPolarHBondContact OE1-CE1 3.33Å; E131-F249 WeakPolarHBondContact OE1-CZ 3.36Å; V133-F249 HydrophobicContact CG1-CD2 4.48Å; V133-F249 HydrophobicContact CG1-CE2 3.52Å; V133-F249 HydrophobicContact CG1-CZ 3.87Å; Y143-F249 HydrophobicContact CD1-CB 4.06Å; Y143-F249 AromaticContact CD1-CD2 3.95Å; Y143-F249 HydrophobicContact CD1-CD2 3.95Å; Y143-F249 AromaticContact CD2-CD2 3.89Å; Y143-F249 HydrophobicContact CD2-CD2 3.89Å; Y143-F249 HydrophobicContact CE1-CD2 4.22Å; Y143-F249 HydrophobicContact CE2-CD2 4.18Å; Y143-F249 HydrophobicContact CG-CB 4.09Å; Y143-F249 AromaticContact CG-CD2 3.78Å; Y143-F249 HydrophobicContact CG-CD2 3.78Å; Y143-F249 HydrophobicContact CG-CG 4.43Å; A145-F249 WeakPolarHBondContact O-CB 3.5Å; A145-F249 PolarHBondContact O-N 3.47Å; E146-F249 WeakPolarHBondContact CA-O 3.41Å; E146-F249 HydrophobicContact CB-CB 4.01Å; R147-F249 PolarHBondContact N-O 3.18Å; F249-G251 VanDerWaalsContact CD1-N 3.3Å; F249-T253 HydrophobicContact CB-CG2 4.29Å; F249-T253 HydrophobicContact CD1-CG2 3.31Å; F249-T253 HydrophobicContact CD2-CG2 4.4Å; F249-T253 HydrophobicContact CE1-CG2 3.58Å; F249-T253 HydrophobicContact CG-CG2 3.77Å; F249-T253 HydrophobicContact CZ-CG2 4.23Å |
| 250 | H | 77.1 | Confident | 86.5 | Confident | 61 Ų | 61 | 41.8 Ų | 41.8 | 28% | 0.282 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -85.6 | -15.8 | -171.2 | 59.7 | 50.6 | 0 | 0 | 0 | 114.7 | V133 R147 | V133-H250 WeakPolarHBondContact CG1-NE2 3.27Å; R147-H250 WeakPolarHBondContact CD-O 3.44Å; R147-H250 PolarHBondContact NH1-O 2.9Å |
| 251 | G | 76.1 | Confident | 86.4 | Confident | 22 Ų | 22 | 43.4 Ų | 43.4 | 23% | 0.227 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -97.2 | -143.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F249 | F249-G251 VanDerWaalsContact CD1-N 3.3Š|
| 252 | G | 78.3 | Confident | 86.3 | Confident | 17 Ų | 17 | 37.6 Ų | 37.6 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | trans | -140.7 | 136.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | R256 | G252-R256 PolarHBondContact O-NH1 3.09Å; G252-R256 VanDerWaalsContact O-NH1 3.13Å | ||
| 253 | T | 85 | Confident | 86.3 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | trans | -117.8 | 158.5 | -163.8 | 62.5 | 0 | 0 | 0 | 0 | 110.9 | D130 E131 E146 F249 A255 R256 R259 | D130-T253 WeakPolarHBondContact OD2-CB 2.95Å; E131-T253 HydrophobicContact CG-CG2 3.83Å; E146-T253 PolarHBondContact OE2-N 3.5Å; E146-T253 PolarHBondContact OE2-OG1 2.99Å; F249-T253 HydrophobicContact CB-CG2 4.29Å; F249-T253 HydrophobicContact CD1-CG2 3.31Å; F249-T253 HydrophobicContact CD2-CG2 4.4Å; F249-T253 HydrophobicContact CE1-CG2 3.58Å; F249-T253 HydrophobicContact CG-CG2 3.77Å; F249-T253 HydrophobicContact CZ-CG2 4.23Å; T253-A255 PolarHBondContact O-N 3.29Å; T253-A255 VanDerWaalsContact O-N 3.16Å; T253-R256 VanDerWaalsContact N-NH1 3.13Å; T253-R256 VanDerWaalsContact O-CB 3.32Å; T253-R256 WeakPolarHBondContact O-CB 3.13Å; T253-R256 WeakPolarHBondContact O-CD 3.46Å; T253-R256 WeakPolarHBondContact O-CG 3.48Å; T253-R256 PolarHBondContact O-N 3.35Å; T253-R256 PolarHBondContact O-NH1 2.87Å; T253-R259 PolarHBondContact OG1-NH2 3.15Å | ||
| 254 | D | 86.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -26.6 | 179.5 | -111.6 | -12.4 | 0 | 0 | 0 | 112.7 | L100 E103 S107 M111 D130 R256 Y257 | L100-D254 WeakPolarHBondContact CD1-OD2 3.36Å; E103-D254 HydrophobicContact CG-CB 4.32Å; S107-D254 WeakPolarHBondContact CB-OD1 3.26Å; S107-D254 PolarHBondContact OG-OD1 3Å; S107-D254 PolarHBondContact OG-OD2 3.35Å; M111-D254 HydrophobicContact CB-CB 4.36Å; M111-D254 VanDerWaalsContact CB-CG 3.42Å; M111-D254 WeakPolarHBondContact CB-OD1 3.36Å; M111-D254 HydrophobicContact CE-CB 3.83Å; M111-D254 HydrophobicContact CG-CB 4.22Å; D130-D254 PolarHBondContact OD2-N 2.89Å; D254-R256 PolarHBondContact O-N 2.67Å; D254-Y257 PolarHBondContact O-N 3.28Å |
| 255 | A | 87.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -54.9 | -18.5 | 170 | 0 | 0 | 0 | 0 | 0 | 114.5 | D130 T253 Y257 L258 R259 A265 | D130-A255 HydrophobicContact CB-CB 3.89Å; D130-A255 VanDerWaalsContact OD2-CB 3.26Å; D130-A255 WeakPolarHBondContact OD2-CB 3.47Å; D130-A255 PolarHBondContact OD2-N 2.99Å; T253-A255 PolarHBondContact O-N 3.29Å; T253-A255 VanDerWaalsContact O-N 3.16Å; A255-Y257 PolarHBondContact O-N 2.93Å; A255-L258 HydrophobicContact CB-CD2 4.48Å; A255-L258 PolarHBondContact O-N 2.69Å; A255-R259 WeakPolarHBondContact O-CB 3.4Å; A255-R259 WeakPolarHBondContact O-CG 3.4Å; A255-R259 PolarHBondContact O-N 2.76Å; A255-R259 PolarHBondContact O-NE 3.38Å; A255-A265 HydrophobicContact CB-CB 3.53Å |
| 256 | R | 85.6 | Confident | 86.5 | Confident | 42 Ų | 42 | 27.6 Ų | 27.6 | 16% | 0.158 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -54.7 | -41.1 | 169.1 | 71.9 | -165.4 | 164.9 | -100.6 | 1 | 112.1 | E103 G106 E146 G252 T253 D254 S260 | E103-R256 IonicContact OE1-CZ 2.74Å; E103-R256 IonicContact OE1-NH1 2.74Å; E103-R256 PolarHBondContact OE1-NH1 3.01Å; E103-R256 IonicContact OE1-NH2 3.05Å; E103-R256 PolarHBondContact OE1-NH2 2.74Å; G106-R256 PolarHBondContact O-NH2 3.49Å; E146-R256 WeakPolarHBondContact OE1-CA 3.37Å; E146-R256 WeakPolarHBondContact OE1-CB 3.4Å; G252-R256 PolarHBondContact O-NH1 3.09Å; G252-R256 VanDerWaalsContact O-NH1 3.13Å; T253-R256 VanDerWaalsContact N-NH1 3.13Å; T253-R256 VanDerWaalsContact O-CB 3.32Å; T253-R256 WeakPolarHBondContact O-CB 3.13Å; T253-R256 WeakPolarHBondContact O-CD 3.46Å; T253-R256 WeakPolarHBondContact O-CG 3.48Å; T253-R256 PolarHBondContact O-N 3.35Å; T253-R256 PolarHBondContact O-NH1 2.87Å; D254-R256 PolarHBondContact O-N 2.67Å; R256-S260 WeakPolarHBondContact O-CB 3.18Å; R256-S260 PolarHBondContact O-N 3Å |
| 257 | Y | 87.6 | Confident | 86.6 | Confident | 20 Ų | 20 | 25.2 Ų | 25.2 | 8% | 0.078 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -73.7 | -41 | -178.7 | -64.2 | -64.3 | 0 | 0 | 0 | 111.7 | G106 M111 D254 A255 S260 K261 | G106-Y257 PolarHBondContact O-OH 3Å; M111-Y257 HydrophobicContact CB-CD2 3.86Å; M111-Y257 HydrophobicContact CG-CD2 3.77Å; M111-Y257 HydrophobicContact CG-CG 4.12Å; D254-Y257 PolarHBondContact O-N 3.28Å; A255-Y257 PolarHBondContact O-N 2.93Å; Y257-S260 WeakPolarHBondContact O-CB 3.29Å; Y257-S260 PolarHBondContact O-N 3.26Å; Y257-S260 PolarHBondContact O-OG 3.46Å; Y257-K261 PolarHBondContact O-N 2.65Å |
| 258 | L | 90.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.2 | -49.7 | 174.7 | -76.1 | 8.3 | 0 | 0 | 0 | 111.2 | M111 V115 F120 C128 A255 S260 K261 G262 Y263 A265 | M111-L258 HydrophobicContact CE-CD1 3.87Å; M111-L258 HydrophobicContact CE-CD2 3.76Å; M111-L258 HydrophobicContact CG-CD1 4.4Å; M111-L258 HydrophobicContact SD-CD1 3.68Å; V115-L258 HydrophobicContact CG1-CD1 3.35Å; F120-L258 HydrophobicContact CE2-CD1 3.77Å; F120-L258 HydrophobicContact CZ-CD1 3.58Å; F120-L258 HydrophobicContact CZ-CG 4.35Å; C128-L258 HydrophobicContact CB-CD2 3.55Å; C128-L258 HydrophobicContact CB-CG 4.14Å; C128-L258 WeakPolarHBondContact SG-CD2 3.43Å; A255-L258 HydrophobicContact CB-CD2 4.48Å; A255-L258 PolarHBondContact O-N 2.69Å; L258-S260 VanDerWaalsContact C-N 3.28Å; L258-S260 PolarHBondContact O-N 3.15Å; L258-K261 PolarHBondContact O-N 3.01Å; L258-G262 PolarHBondContact O-N 2.79Å; L258-Y263 PolarHBondContact O-N 3.13Å; L258-Y263 VanDerWaalsContact O-N 3.16Å; L258-A265 HydrophobicContact CB-CB 4.08Å; L258-A265 HydrophobicContact CD2-CB 4.47Å |
| 259 | R | 90.1 | Very high | 87.1 | Confident | 16 Ų | 16 | 24.1 Ų | 24.1 | 6% | 0.06 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.9 | -34.3 | 176.9 | -70.6 | -177.3 | -74.3 | -100.3 | -4.6 | 111.9 | E146 T219 S221 T253 A255 K261 G262 Y263 A265 | E146-R259 IonicContact OE1-CZ 2.76Å; E146-R259 IonicContact OE1-NE 3.52Å; E146-R259 IonicContact OE1-NH2 3.35Å; E146-R259 PolarHBondContact OE1-NH2 3.34Å; E146-R259 IonicContact OE2-NH2 2.7Å; E146-R259 PolarHBondContact OE2-NH2 2.94Å; T219-R259 WeakPolarHBondContact OG1-CB 3.4Å; S221-R259 WeakPolarHBondContact OG-CD 3.17Å; T253-R259 PolarHBondContact OG1-NH2 3.15Å; A255-R259 WeakPolarHBondContact O-CB 3.4Å; A255-R259 WeakPolarHBondContact O-CG 3.4Å; A255-R259 PolarHBondContact O-N 2.76Å; A255-R259 PolarHBondContact O-NE 3.38Å; R259-K261 PolarHBondContact O-N 2.85Å; R259-G262 PolarHBondContact O-N 2.93Å; R259-Y263 WeakPolarHBondContact CA-O 3.47Å; R259-A265 HydrophobicContact CG-CB 3.98Å; R259-A265 PolarHBondContact NH1-O 2.98Å |
| 260 | S | 84.9 | Confident | 87.3 | Confident | 67 Ų | 67 | 24.3 Ų | 24.3 | 47% | 0.469 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -62.2 | -25.7 | 173.7 | 86.9 | 0 | 0 | 0 | 0 | 114.5 | R256 Y257 L258 | R256-S260 WeakPolarHBondContact O-CB 3.18Å; R256-S260 PolarHBondContact O-N 3Å; Y257-S260 WeakPolarHBondContact O-CB 3.29Å; Y257-S260 PolarHBondContact O-N 3.26Å; Y257-S260 PolarHBondContact O-OG 3.46Å; L258-S260 VanDerWaalsContact C-N 3.28Å; L258-S260 PolarHBondContact O-N 3.15Å |
| 261 | K | 87.4 | Confident | 87.9 | Confident | 81 Ų | 81 | 23.6 Ų | 23.6 | 35% | 0.352 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 1.5 | 175.4 | -57.4 | -60.7 | 172.5 | -179.2 | 0 | 113.4 | V115 E116 Y257 L258 R259 Y263 | V115-K261 HydrophobicContact CB-CG 4.08Å; V115-K261 HydrophobicContact CG2-CG 4.18Å; E116-K261 IonicContact OE1-NZ 3.82Å; E116-K261 PolarHBondContact OE1-NZ 3.44Å; E116-K261 IonicContact OE2-NZ 3.74Å; E116-K261 PolarHBondContact OE2-NZ 3Å; Y257-K261 PolarHBondContact O-N 2.65Å; L258-K261 PolarHBondContact O-N 3.01Å; R259-K261 PolarHBondContact O-N 2.85Å; K261-Y263 HydrophobicContact CB-CD2 3.7Å; K261-Y263 HydrophobicContact CB-CE2 3.65Å |
| 262 | G | 88.4 | Confident | 88.5 | Confident | 67 Ų | 67 | 23.1 Ų | 23.1 | 69% | 0.691 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | 15.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L258 R259 | L258-G262 PolarHBondContact O-N 2.79Å; R259-G262 PolarHBondContact O-N 2.93Å |
| 263 | Y | 89.3 | Confident | 89 | Confident | 62 Ų | 62 | 26.5 Ų | 26.5 | 24% | 0.243 | 16% | 0.156 | C | C | . | . | trans | -87.5 | 141.2 | 171.2 | -59.8 | -78.4 | 0 | 0 | 0 | 111 | F120 V125 L258 R259 K261 A265 | F120-Y263 HydrophobicContact CE1-CD2 4.15Å; F120-Y263 AromaticContact CE1-CE2 3.6Å; F120-Y263 HydrophobicContact CE1-CE2 3.6Å; F120-Y263 HydrophobicContact CZ-CD2 4.31Å; F120-Y263 HydrophobicContact CZ-CE2 4.18Å; V125-Y263 HydrophobicContact CB-CD1 3.96Å; V125-Y263 HydrophobicContact CB-CE1 4.03Å; V125-Y263 HydrophobicContact CG1-CD1 4.24Å; V125-Y263 WeakPolarHBondContact O-CD1 3.35Å; V125-Y263 WeakPolarHBondContact O-CE1 3.29Å; L258-Y263 PolarHBondContact O-N 3.13Å; L258-Y263 VanDerWaalsContact O-N 3.16Å; R259-Y263 WeakPolarHBondContact CA-O 3.47Å; K261-Y263 HydrophobicContact CB-CD2 3.7Å; K261-Y263 HydrophobicContact CB-CE2 3.65Å; Y263-A265 PolarHBondContact O-N 3.27Å | ||
| 264 | D | 92 | Very high | 89 | Confident | 26 Ų | 26 | 26.7 Ų | 26.7 | 14% | 0.139 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 128.4 | 168.3 | -87.8 | 29.9 | 0 | 0 | 0 | 110.1 | L127 C128 P222 N227 Y266 | L127-D264 CarbonylContact C-O 2.83Å; L127-D264 WeakPolarHBondContact CA-O 3.1Å; L127-D264 HydrophobicContact CB-CB 4.45Å; C128-D264 PolarHBondContact N-O 2.77Å; P222-D264 VanDerWaalsContact CD-OD1 3.29Å; P222-D264 WeakPolarHBondContact CD-OD1 3.08Å; N227-D264 PolarHBondContact ND2-OD2 3.37Å; N227-D264 PolarHBondContact OD1-OD2 2.79Å; D264-Y266 HydrophobicContact CB-CE2 3.91Å; D264-Y266 PolarHBondContact OD2-OH 3.29Å |
| 265 | A | 92 | Very high | 88.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 131 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | C128 S221 A255 L258 R259 Y263 | C128-A265 HydrophobicContact CB-CB 3.71Å; C128-A265 CarbonylContact O-C 3.48Å; C128-A265 WeakPolarHBondContact O-CA 3.32Å; S221-A265 WeakPolarHBondContact CB-O 3.36Å; S221-A265 PolarHBondContact OG-N 2.76Å; S221-A265 PolarHBondContact OG-O 3.33Å; A255-A265 HydrophobicContact CB-CB 3.53Å; L258-A265 HydrophobicContact CB-CB 4.08Å; L258-A265 HydrophobicContact CD2-CB 4.47Å; R259-A265 HydrophobicContact CG-CB 3.98Å; R259-A265 PolarHBondContact NH1-O 2.98Å; Y263-A265 PolarHBondContact O-N 3.27Å |
| 266 | Y | 93.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 117.9 | -173.3 | -57.4 | -85.8 | 0 | 0 | 0 | 110.2 | C128 L129 D130 Y143 S221 P222 N227 W229 W230 I233 D264 | C128-Y266 PolarHBondContact O-N 2.89Å; L129-Y266 VanDerWaalsContact CA-O 3.29Å; L129-Y266 WeakPolarHBondContact CA-O 3.45Å; D130-Y266 PolarHBondContact N-O 3.25Å; D130-Y266 VanDerWaalsContact N-O 3.11Å; Y143-Y266 CarbonylContact O-C 3.16Å; Y143-Y266 WeakPolarHBondContact O-CA 3.46Å; S221-Y266 VanDerWaalsContact CB-CE1 3.5Å; P222-Y266 PolarHBondContact O-OH 3.07Å; N227-Y266 PolarHBondContact OD1-OH 3.13Å; W229-Y266 HydrophobicContact CB-CE2 3.98Å; W230-Y266 HydrophobicContact CB-CE1 4.4Å; W230-Y266 HydrophobicContact CD2-CE1 4.43Å; W230-Y266 AromaticContact CE3-CD1 3.74Å; W230-Y266 HydrophobicContact CE3-CD1 3.74Å; W230-Y266 AromaticContact CE3-CE1 3.52Å; W230-Y266 HydrophobicContact CE3-CE1 3.52Å; W230-Y266 HydrophobicContact CZ3-CD1 4.05Å; W230-Y266 HydrophobicContact CZ3-CE1 4.23Å; I233-Y266 HydrophobicContact CD1-CD1 4.45Å; I233-Y266 HydrophobicContact CD1-CD2 3.66Å; I233-Y266 HydrophobicContact CD1-CE2 4.17Å; I233-Y266 HydrophobicContact CD1-CG 3.82Å; D264-Y266 HydrophobicContact CB-CE2 3.91Å; D264-Y266 PolarHBondContact OD2-OH 3.29Å |
| 267 | G | 91 | Very high | 88 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 134.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | D130 E131 Y143 | D130-G267 WeakPolarHBondContact O-CA 3.29Å; E131-G267 CarbonylContact O-C 3.52Å; E131-G267 VanDerWaalsContact O-C 3.3Å; E131-G267 WeakPolarHBondContact O-CA 3.14Å; Y143-G267 PolarHBondContact N-O 3.16Å; Y143-G267 PolarHBondContact O-N 3.25Å |
| 268 | F | 92.1 | Very high | 87.4 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 135.1 | 177.8 | 175.4 | -110.3 | 0 | 0 | 0 | 111.7 | D130 E131 Y140 V142 F237 P270 I296 Y297 L300 | D130-F268 PolarHBondContact O-N 3.03Å; E131-F268 PolarHBondContact O-N 3.15Å; Y140-F268 HydrophobicContact CD1-CE2 4.15Å; Y140-F268 HydrophobicContact CD1-CZ 4.24Å; Y140-F268 HydrophobicContact CG-CE2 4.45Å; V142-F268 HydrophobicContact CG2-CD2 4.36Å; F237-F268 HydrophobicContact CE1-CE1 4.47Å; F237-F268 AromaticContact CE1-CE2 3.93Å; F237-F268 HydrophobicContact CE1-CE2 3.93Å; F237-F268 AromaticContact CE1-CZ 3.77Å; F237-F268 HydrophobicContact CE1-CZ 3.77Å; F237-F268 HydrophobicContact CE2-CE2 4.26Å; F237-F268 AromaticContact CZ-CD2 3.88Å; F237-F268 HydrophobicContact CZ-CD2 3.88Å; F237-F268 HydrophobicContact CZ-CE1 4.3Å; F237-F268 AromaticContact CZ-CE2 3.42Å; F237-F268 HydrophobicContact CZ-CE2 3.42Å; F237-F268 VanDerWaalsContact CZ-CE2 3.42Å; F237-F268 HydrophobicContact CZ-CG 4.49Å; F237-F268 AromaticContact CZ-CZ 3.66Å; F237-F268 HydrophobicContact CZ-CZ 3.66Å; F268-P270 HydrophobicContact CE1-CB 4.02Å; F268-P270 HydrophobicContact CE1-CG 4.39Å; F268-P270 HydrophobicContact CZ-CB 3.99Å; F268-I296 HydrophobicContact CE1-CG2 4.01Å; F268-I296 HydrophobicContact CZ-CG2 3.93Å; F268-Y297 AromaticContact CD1-CE1 3.91Å; F268-Y297 HydrophobicContact CD1-CE1 3.91Å; F268-Y297 HydrophobicContact CE1-CE1 4.37Å; F268-Y297 PolarHBondContact O-OH 3.47Å; F268-L300 HydrophobicContact CD1-CD2 3.8Å; F268-L300 HydrophobicContact CE1-CD2 3.97Å; F268-L300 HydrophobicContact CG-CD2 4.49Å |
| 269 | S | 90 | Very high | 86.6 | Confident | 13 Ų | 13 | 39.8 Ų | 39.8 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | trans | -134.6 | 123.9 | 174.4 | -179.6 | 0 | 0 | 0 | 0 | 110.4 | G132 I271 | G132-S269 VanDerWaalsContact C-CB 3.42Å; G132-S269 WeakPolarHBondContact O-CB 3.17Å; G132-S269 PolarHBondContact O-OG 3.26Å; S269-I271 PolarHBondContact O-N 2.78Å; S269-I271 VanDerWaalsContact OG-CG1 3.31Å; S269-I271 WeakPolarHBondContact OG-CG1 3.37Å | ||
| 270 | P | 89.5 | Confident | 85.7 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 7% | 0.071 | 24% | 0.244 | C | C | . | . | trans | -81.6 | 18.2 | 178.6 | 34.9 | -36.9 | 0 | 0 | 0 | 113.1 | Y140 F268 G293 I296 Y297 | Y140-P270 HydrophobicContact CE1-CB 4.22Å; F268-P270 HydrophobicContact CE1-CB 4.02Å; F268-P270 HydrophobicContact CE1-CG 4.39Å; F268-P270 HydrophobicContact CZ-CB 3.99Å; P270-G293 VanDerWaalsContact CG-CA 3.48Å; P270-I296 HydrophobicContact CB-CB 4.36Å; P270-I296 HydrophobicContact CB-CD1 4.1Å; P270-I296 HydrophobicContact CB-CG2 4.5Å; P270-Y297 HydrophobicContact CG-CD2 3.99Å; P270-Y297 HydrophobicContact CG-CE2 3.58Å | ||
| 271 | I | 89.2 | Confident | 85.1 | Confident | 47 Ų | 47 | 43.9 Ų | 43.9 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | trans | -84.4 | 113.4 | 179.1 | -51.9 | 179.1 | 0 | 0 | 0 | 108.9 | A134 S135 S269 T274 I285 T289 | A134-I271 WeakPolarHBondContact CA-O 3.41Å; A134-I271 HydrophobicContact CB-CB 3.96Å; A134-I271 HydrophobicContact CB-CG2 3.59Å; S135-I271 PolarHBondContact N-O 2.8Å; S269-I271 PolarHBondContact O-N 2.78Å; S269-I271 VanDerWaalsContact OG-CG1 3.31Å; S269-I271 WeakPolarHBondContact OG-CG1 3.37Å; I271-T274 HydrophobicContact CG2-CG2 3.96Å; I271-I285 HydrophobicContact CD1-CD1 3.89Å; I271-I285 HydrophobicContact CG1-CD1 3.69Å; I271-I285 HydrophobicContact CG2-CD1 4.22Å; I271-I285 HydrophobicContact CG2-CG1 4.27Å; I271-T289 HydrophobicContact CG2-CG2 4.22Å | ||
| 272 | I | 89.1 | Confident | 84.6 | Confident | 11 Ų | 11 | 43.6 Ų | 43.6 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | trans | -137.5 | 156.3 | -167.8 | -161.2 | 161.4 | 0 | 0 | 0 | 110.7 | S135 D137 Y140 T274 T289 | S135-I272 CarbonylContact O-C 3.45Å; D137-I272 WeakPolarHBondContact O-CG1 3.39Å; Y140-I272 HydrophobicContact CD1-CB 4.46Å; Y140-I272 HydrophobicContact CD1-CD1 3.84Å; Y140-I272 HydrophobicContact CD2-CD1 3.68Å; Y140-I272 HydrophobicContact CE1-CB 3.87Å; Y140-I272 HydrophobicContact CE1-CD1 3.65Å; Y140-I272 HydrophobicContact CE1-CG1 4.35Å; Y140-I272 HydrophobicContact CE1-CG2 4.07Å; Y140-I272 HydrophobicContact CE2-CD1 3.51Å; Y140-I272 HydrophobicContact CG-CD1 3.84Å; Y140-I272 VanDerWaalsContact CZ-CD1 3.47Å; I272-T274 PolarHBondContact O-N 2.85Å; I272-T274 VanDerWaalsContact O-N 3.11Å; I272-T274 PolarHBondContact O-OG1 3.41Å; I272-T289 HydrophobicContact CG2-CG2 4.48Å | ||
| 273 | C | 87.8 | Confident | 84.2 | Confident | 88 Ų | 88 | 46 Ų | 46 | 60% | 0.595 | 24% | 0.239 | S | C | * | . | S | Bend | trans | 48.2 | 31 | -169.6 | -55.5 | 0 | 0 | 0 | 0 | 113.6 | S135 D137 | S135-C273 WeakPolarHBondContact O-CA 3.33Å; S135-C273 PolarHBondContact O-N 3.4Å; D137-C273 PolarHBondContact O-N 3.39Å |
| 274 | T | 85 | Confident | 84 | Confident | 6 Ų | 6 | 49 Ų | 49 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | trans | -125.5 | 132.8 | -172.6 | -54.3 | 0 | 0 | 0 | 0 | 109.3 | S135 I271 I272 | S135-T274 CarbonylContact C-O 3.46Å; S135-T274 PolarHBondContact O-N 3.17Å; I271-T274 HydrophobicContact CG2-CG2 3.96Å; I272-T274 PolarHBondContact O-N 2.85Å; I272-T274 VanDerWaalsContact O-N 3.11Å; I272-T274 PolarHBondContact O-OG1 3.41Å | ||
| 275 | P | 80.9 | Confident | 83.8 | Confident | 52 Ų | 52 | 50.1 Ų | 50.1 | 34% | 0.338 | 26% | 0.256 | S | S | . | . | trans | -58.5 | 144.1 | 177.3 | -25.2 | 35.8 | 0 | 0 | 0 | 112.8 | L277 Y284 | P275-L277 VanDerWaalsContact C-N 3.34Å; P275-L277 HydrophobicContact CB-CD1 4.16Å; P275-L277 HydrophobicContact CB-CG 4.02Å; P275-L277 PolarHBondContact O-N 2.84Å; P275-Y284 WeakPolarHBondContact CD-OH 3.35Å | ||
| 276 | M | 80.7 | Confident | 83.6 | Confident | 94 Ų | 94 | 55.1 Ų | 55.1 | 46% | 0.463 | 28% | 0.28 | S | S | . | . | trans | -77.2 | 82.2 | 178.7 | -170.5 | -179.3 | 71.2 | 0 | 0 | 110.9 | V133 L278 | V133-M276 HydrophobicContact CB-CG 4.43Å; V133-M276 HydrophobicContact CB-SD 4.29Å; V133-M276 HydrophobicContact CG2-SD 4.03Å; M276-L278 HydrophobicContact CG-CD2 3.82Å; M276-L278 HydrophobicContact CG-CG 4.46Å; M276-L278 HydrophobicContact SD-CD2 4.4Å | ||
| 277 | L | 77.2 | Confident | 83.4 | Confident | 36 Ų | 36 | 60.7 Ų | 60.7 | 19% | 0.188 | 30% | 0.301 | C | S | . | . | trans | -107.9 | 15.9 | -177.1 | -64.3 | 173.2 | 0 | 0 | 0 | 114.1 | P275 H279 D280 E283 Y284 | P275-L277 VanDerWaalsContact C-N 3.34Å; P275-L277 HydrophobicContact CB-CD1 4.16Å; P275-L277 HydrophobicContact CB-CG 4.02Å; P275-L277 PolarHBondContact O-N 2.84Å; L277-H279 PolarHBondContact O-N 2.59Å; L277-D280 WeakPolarHBondContact O-CB 3.34Å; L277-D280 PolarHBondContact O-N 3.47Å; L277-D280 VanDerWaalsContact O-N 3.08Å; L277-E283 WeakPolarHBondContact O-CB 3.21Å; L277-E283 WeakPolarHBondContact O-CG 3.32Å; L277-Y284 HydrophobicContact CD1-CD1 3.82Å; L277-Y284 HydrophobicContact CD1-CE1 3.66Å | ||
| 278 | L | 74.4 | Confident | 83.4 | Confident | 64 Ų | 64 | 63.9 Ų | 63.9 | 34% | 0.335 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 135.7 | 175.1 | 67.6 | 96.2 | 0 | 0 | 0 | 110.6 | V133 M276 D280 E283 | V133-L278 HydrophobicContact CB-CD2 3.78Å; V133-L278 HydrophobicContact CG1-CD2 3.28Å; M276-L278 HydrophobicContact CG-CD2 3.82Å; M276-L278 HydrophobicContact CG-CG 4.46Å; M276-L278 HydrophobicContact SD-CD2 4.4Å; L278-D280 PolarHBondContact O-N 3.2Å; L278-E283 WeakPolarHBondContact CA-OE2 3.44Å |
| 279 | H | 75 | Confident | 83.2 | Confident | 92 Ų | 92 | 64.5 Ų | 64.5 | 43% | 0.426 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 3.6 | 177.9 | -58.6 | -147.3 | 0 | 0 | 0 | 114.3 | V78 E104 L277 E283 | V78-H279 HydrophobicContact CG2-CB 3.57Å; E104-H279 IonicContact OE1-CE1 2.76Å; E104-H279 IonicContact OE1-NE2 3.97Å; E104-H279 IonicContact OE2-CE1 2.66Å; E104-H279 PolarHBondContact OE2-CE1 2.96Å; E104-H279 IonicContact OE2-ND1 3.84Å; E104-H279 IonicContact OE2-NE2 2.74Å; L277-H279 PolarHBondContact O-N 2.59Å; H279-E283 PolarHBondContact N-OE2 3.12Å |
| 280 | D | 70.7 | Confident | 83.2 | Confident | 70 Ų | 70 | 65.6 Ų | 65.6 | 37% | 0.374 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -96.6 | 152.8 | 175.6 | -155.6 | -5 | 0 | 0 | 0 | 112 | L277 L278 N282 E283 | L277-D280 WeakPolarHBondContact O-CB 3.34Å; L277-D280 PolarHBondContact O-N 3.47Å; L277-D280 VanDerWaalsContact O-N 3.08Å; L278-D280 PolarHBondContact O-N 3.2Å; D280-N282 WeakPolarHBondContact CB-OD1 3.32Å; D280-N282 PolarHBondContact O-N 3.01Å; D280-N282 PolarHBondContact OD2-OD1 3.01Å; D280-E283 WeakPolarHBondContact O-CB 3.04Å; D280-E283 PolarHBondContact O-N 3.39Å; D280-E283 VanDerWaalsContact O-N 3.12Å |
| 281 | H | 72.4 | Confident | 83.2 | Confident | 100 Ų | 100 | 66 Ų | 66 | 46% | 0.463 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -10 | -175.7 | 72.4 | -65 | 0 | 0 | 0 | 115.3 | L81 | L81-H281 HydrophobicContact CB-CB 4.24Å; L81-H281 VanDerWaalsContact O-CB 3.25Å; L81-H281 WeakPolarHBondContact O-CB 3.48Å |
| 282 | N | 76.1 | Confident | 83.2 | Confident | 74 Ų | 74 | 67.9 Ų | 67.9 | 40% | 0.396 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | 18 | -177.9 | 67 | -20.1 | 0 | 0 | 0 | 112.5 | D280 Y284 | D280-N282 WeakPolarHBondContact CB-OD1 3.32Å; D280-N282 PolarHBondContact O-N 3.01Å; D280-N282 PolarHBondContact OD2-OD1 3.01Å; N282-Y284 PolarHBondContact O-N 3.39Å |
| 283 | E | 79.6 | Confident | 83.2 | Confident | 119 Ų | 119 | 67.5 Ų | 67.5 | 56% | 0.556 | 34% | 0.336 | S | S | * | . | trans | -52.8 | 133.6 | 175.5 | -166.7 | -179.7 | 149.6 | 0 | 0 | 111.6 | L277 L278 H279 D280 | L277-E283 WeakPolarHBondContact O-CB 3.21Å; L277-E283 WeakPolarHBondContact O-CG 3.32Å; L278-E283 WeakPolarHBondContact CA-OE2 3.44Å; H279-E283 PolarHBondContact N-OE2 3.12Å; D280-E283 WeakPolarHBondContact O-CB 3.04Å; D280-E283 PolarHBondContact O-N 3.39Å; D280-E283 VanDerWaalsContact O-N 3.12Å | ||
| 284 | Y | 85.9 | Confident | 83.2 | Confident | 125 Ų | 125 | 64.1 Ų | 64.1 | 49% | 0.49 | 31% | 0.312 | S | S | . | . | trans | -150.4 | 159.8 | 179.2 | 76.5 | -87.8 | 0 | 0 | 0 | 112.3 | P275 L277 N282 | P275-Y284 WeakPolarHBondContact CD-OH 3.35Å; L277-Y284 HydrophobicContact CD1-CD1 3.82Å; L277-Y284 HydrophobicContact CD1-CE1 3.66Å; N282-Y284 PolarHBondContact O-N 3.39Å | ||
| 285 | I | 88.4 | Confident | 83.3 | Confident | 48 Ų | 48 | 67.8 Ų | 67.8 | 25% | 0.246 | 33% | 0.332 | C | S | . | . | trans | -133.1 | 139.4 | 166.6 | -170.7 | 176.5 | 0 | 0 | 0 | 109.2 | I271 T289 Y290 | I271-I285 HydrophobicContact CD1-CD1 3.89Å; I271-I285 HydrophobicContact CG1-CD1 3.69Å; I271-I285 HydrophobicContact CG2-CD1 4.22Å; I271-I285 HydrophobicContact CG2-CG1 4.27Å; I285-T289 HydrophobicContact CD1-CG2 4.21Å; I285-T289 HydrophobicContact CG1-CG2 4.16Å; I285-Y290 HydrophobicContact CD1-CD2 4.11Å; I285-Y290 HydrophobicContact CG2-CD2 4.37Å | ||
| 286 | E | 88.2 | Confident | 83.7 | Confident | 106 Ų | 106 | 65.5 Ų | 65.5 | 50% | 0.495 | 32% | 0.316 | S | S | . | . | trans | -69.1 | 145.1 | 172.9 | -60.2 | -159.5 | 150.8 | 0 | 0 | 111.8 | S288 T289 Y290 | E286-S288 VanDerWaalsContact CB-OG 3.26Å; E286-S288 WeakPolarHBondContact CB-OG 3.38Å; E286-S288 PolarHBondContact O-N 2.82Å; E286-S288 PolarHBondContact OE2-OG 3.3Å; E286-T289 PolarHBondContact O-N 3.1Å; E286-T289 VanDerWaalsContact O-N 3.1Å; E286-Y290 WeakPolarHBondContact O-CB 3.45Å; E286-Y290 PolarHBondContact O-N 2.99Å | ||
| 287 | R | 88.9 | Confident | 84 | Confident | 117 Ų | 117 | 63.7 Ų | 63.7 | 44% | 0.442 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -54.1 | -40.5 | 173.4 | -176.4 | -179.3 | 174.9 | 153.5 | 6.1 | 112.1 | D3 N4 V7 L291 | D3-R287 PolarHBondContact O-NH2 2.97Å; N4-R287 PolarHBondContact OD1-NH2 3.09Å; V7-R287 HydrophobicContact CG1-CG 4.23Å; V7-R287 HydrophobicContact CG2-CG 3.9Å; R287-L291 HydrophobicContact CG-CD1 3.94Å; R287-L291 HydrophobicContact CG-CG 4.44Å; R287-L291 WeakPolarHBondContact O-CB 3.31Å; R287-L291 VanDerWaalsContact O-CG 3.31Å; R287-L291 WeakPolarHBondContact O-CG 3.4Å; R287-L291 PolarHBondContact O-N 2.73Å |
| 288 | S | 89.5 | Confident | 84.4 | Confident | 68 Ų | 68 | 65 Ų | 65 | 48% | 0.476 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -53.9 | -56.9 | 172.3 | 17.5 | 0 | 0 | 0 | 0 | 111.7 | E286 L291 K292 | E286-S288 VanDerWaalsContact CB-OG 3.26Å; E286-S288 WeakPolarHBondContact CB-OG 3.38Å; E286-S288 PolarHBondContact O-N 2.82Å; E286-S288 PolarHBondContact OE2-OG 3.3Å; S288-L291 PolarHBondContact O-N 2.68Å; S288-K292 WeakPolarHBondContact O-CB 3.31Å; S288-K292 PolarHBondContact O-N 2.66Å |
| 289 | T | 89.5 | Confident | 84.9 | Confident | 14 Ų | 14 | 66.4 Ų | 66.4 | 9% | 0.086 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65 | -40.1 | -178.7 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | I271 I272 I285 E286 K292 G293 | I271-T289 HydrophobicContact CG2-CG2 4.22Å; I272-T289 HydrophobicContact CG2-CG2 4.48Å; I285-T289 HydrophobicContact CD1-CG2 4.21Å; I285-T289 HydrophobicContact CG1-CG2 4.16Å; E286-T289 PolarHBondContact O-N 3.1Å; E286-T289 VanDerWaalsContact O-N 3.1Å; T289-K292 PolarHBondContact O-N 2.91Å; T289-G293 PolarHBondContact O-N 3.17Å |
| 290 | Y | 89 | Confident | 85.5 | Confident | 36 Ų | 36 | 62 Ų | 62 | 14% | 0.141 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.9 | -53.1 | 175.1 | -172.2 | -101.4 | 0 | 0 | 0 | 112.2 | C6 F10 K91 V92 I285 E286 K292 G293 I294 | C6-Y290 WeakPolarHBondContact O-CE1 3.04Å; F10-Y290 VanDerWaalsContact CB-OH 3.24Å; F10-Y290 WeakPolarHBondContact CB-OH 3.48Å; F10-Y290 HydrophobicContact CD1-CE1 4.48Å; F10-Y290 AromaticContact CD1-CE2 3.88Å; F10-Y290 HydrophobicContact CD1-CE2 3.88Å; F10-Y290 AromaticContact CD1-CZ 3.82Å; F10-Y290 HydrophobicContact CE1-CD2 4.37Å; F10-Y290 AromaticContact CE1-CE2 3.98Å; F10-Y290 HydrophobicContact CE1-CE2 3.98Å; F10-Y290 HydrophobicContact CG-CE2 4.25Å; F10-Y290 HydrophobicContact CZ-CE2 4.4Å; K91-Y290 VanDerWaalsContact CA-OH 3.23Å; K91-Y290 WeakPolarHBondContact CA-OH 3.4Å; K91-Y290 PolarHBondContact N-OH 3.33Å; V92-Y290 HydrophobicContact CG2-CE1 4.23Å; V92-Y290 VanDerWaalsContact CG2-OH 3.27Å; V92-Y290 WeakPolarHBondContact CG2-OH 3.33Å; I285-Y290 HydrophobicContact CD1-CD2 4.11Å; I285-Y290 HydrophobicContact CG2-CD2 4.37Å; E286-Y290 WeakPolarHBondContact O-CB 3.45Å; E286-Y290 PolarHBondContact O-N 2.99Å; Y290-K292 VanDerWaalsContact C-N 3.32Å; Y290-K292 PolarHBondContact O-N 3.01Å; Y290-G293 WeakPolarHBondContact O-CA 3.47Å; Y290-G293 PolarHBondContact O-N 3.41Å; Y290-G293 VanDerWaalsContact O-N 3.08Å; Y290-I294 HydrophobicContact CD1-CD1 4.21Å; Y290-I294 HydrophobicContact CE1-CD1 4.05Å; Y290-I294 WeakPolarHBondContact O-CG1 2.95Å; Y290-I294 PolarHBondContact O-N 3.13Å |
| 291 | L | 89.3 | Confident | 86.3 | Confident | 20 Ų | 20 | 59.6 Ų | 59.6 | 11% | 0.105 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64 | -35.2 | 178.2 | -71.3 | 173.6 | 0 | 0 | 0 | 112.2 | D3 C6 V7 R287 S288 I294 N295 | D3-L291 HydrophobicContact CB-CD1 3.99Å; D3-L291 HydrophobicContact CB-CD2 4.18Å; C6-L291 HydrophobicContact CB-CD2 4Å; V7-L291 HydrophobicContact CG2-CD1 4.19Å; V7-L291 HydrophobicContact CG2-CD2 3.86Å; V7-L291 HydrophobicContact CG2-CG 4.08Å; R287-L291 HydrophobicContact CG-CD1 3.94Å; R287-L291 HydrophobicContact CG-CG 4.44Å; R287-L291 WeakPolarHBondContact O-CB 3.31Å; R287-L291 VanDerWaalsContact O-CG 3.31Å; R287-L291 WeakPolarHBondContact O-CG 3.4Å; R287-L291 PolarHBondContact O-N 2.73Å; S288-L291 PolarHBondContact O-N 2.68Å; L291-I294 HydrophobicContact CD2-CD1 3.81Å; L291-N295 PolarHBondContact O-N 2.88Å; L291-N295 PolarHBondContact O-ND2 2.72Å |
| 292 | K | 89.5 | Confident | 86.8 | Confident | 85 Ų | 85 | 57 Ų | 57 | 37% | 0.37 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 170.1 | -166.9 | -171.3 | -176.7 | -163.5 | 0 | 110.3 | Y140 S288 T289 Y290 I294 N295 I296 | Y140-K292 VanDerWaalsContact OH-CE 3.3Å; Y140-K292 WeakPolarHBondContact OH-CE 3.46Å; Y140-K292 PolarHBondContact OH-NZ 2.68Å; S288-K292 WeakPolarHBondContact O-CB 3.31Å; S288-K292 PolarHBondContact O-N 2.66Å; T289-K292 PolarHBondContact O-N 2.91Å; Y290-K292 VanDerWaalsContact C-N 3.32Å; Y290-K292 PolarHBondContact O-N 3.01Å; K292-I294 VanDerWaalsContact C-N 3.34Å; K292-I294 PolarHBondContact O-N 3.37Å; K292-N295 WeakPolarHBondContact O-CB 3.36Å; K292-N295 PolarHBondContact O-N 3.37Å; K292-I296 HydrophobicContact CD-CD1 4.38Å; K292-I296 HydrophobicContact CG-CD1 4.12Å; K292-I296 WeakPolarHBondContact O-CG1 3.39Å; K292-I296 PolarHBondContact O-N 2.89Å |
| 293 | G | 89.4 | Confident | 87.2 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.8 | -37.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P270 T289 Y290 N295 I296 Y297 | P270-G293 VanDerWaalsContact CG-CA 3.48Å; T289-G293 PolarHBondContact O-N 3.17Å; Y290-G293 WeakPolarHBondContact O-CA 3.47Å; Y290-G293 PolarHBondContact O-N 3.41Å; Y290-G293 VanDerWaalsContact O-N 3.08Å; G293-N295 VanDerWaalsContact C-N 3.35Å; G293-N295 PolarHBondContact O-N 3.49Å; G293-I296 PolarHBondContact O-N 3Å; G293-Y297 WeakPolarHBondContact O-CD2 3.25Å; G293-Y297 PolarHBondContact O-N 2.79Å |
| 294 | I | 87.8 | Confident | 87.5 | Confident | 16 Ų | 16 | 49.6 Ų | 49.6 | 8% | 0.082 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53 | -54.2 | 169.6 | -63.5 | 173.7 | 0 | 0 | 0 | 110.3 | C6 V92 Y290 L291 K292 I296 Y297 V298 | C6-I294 HydrophobicContact CB-CD1 3.89Å; V92-I294 HydrophobicContact CB-CD1 4.39Å; V92-I294 HydrophobicContact CB-CG1 4.06Å; V92-I294 HydrophobicContact CG1-CB 4.44Å; V92-I294 HydrophobicContact CG1-CG1 4.01Å; V92-I294 HydrophobicContact CG1-CG2 4.2Å; V92-I294 HydrophobicContact CG2-CD1 4.22Å; V92-I294 HydrophobicContact CG2-CG1 3.83Å; Y290-I294 HydrophobicContact CD1-CD1 4.21Å; Y290-I294 HydrophobicContact CE1-CD1 4.05Å; Y290-I294 WeakPolarHBondContact O-CG1 2.95Å; Y290-I294 PolarHBondContact O-N 3.13Å; L291-I294 HydrophobicContact CD2-CD1 3.81Å; K292-I294 VanDerWaalsContact C-N 3.34Å; K292-I294 PolarHBondContact O-N 3.37Å; I294-I296 VanDerWaalsContact C-N 3.28Å; I294-I296 PolarHBondContact O-N 3.35Å; I294-Y297 PolarHBondContact O-N 2.67Å; I294-V298 HydrophobicContact CG2-CG2 4.48Å; I294-V298 WeakPolarHBondContact O-CG2 2.97Å; I294-V298 PolarHBondContact O-N 2.86Å |
| 295 | N | 86.1 | Confident | 87.3 | Confident | 84 Ų | 84 | 46.3 Ų | 46.3 | 45% | 0.449 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64 | -35 | -176.6 | -73.8 | -80.7 | 0 | 0 | 0 | 111.8 | L291 K292 G293 V298 H299 | L291-N295 PolarHBondContact O-N 2.88Å; L291-N295 PolarHBondContact O-ND2 2.72Å; K292-N295 WeakPolarHBondContact O-CB 3.36Å; K292-N295 PolarHBondContact O-N 3.37Å; G293-N295 VanDerWaalsContact C-N 3.35Å; G293-N295 PolarHBondContact O-N 3.49Å; N295-V298 PolarHBondContact O-N 3.42Å; N295-H299 PolarHBondContact O-N 3.16Å; N295-H299 PolarHBondContact O-ND1 2.99Å |
| 296 | I | 89.5 | Confident | 86.9 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.4 | -47.2 | 175.7 | -61 | 176.9 | 0 | 0 | 0 | 111 | Y140 F237 F242 F268 P270 K292 G293 I294 V298 H299 L300 | Y140-I296 HydrophobicContact CE1-CD1 3.93Å; Y140-I296 HydrophobicContact CE2-CD1 4.23Å; Y140-I296 WeakPolarHBondContact OH-CD1 3.31Å; F237-I296 HydrophobicContact CE1-CG2 4.19Å; F242-I296 HydrophobicContact CD2-CD1 4.39Å; F242-I296 HydrophobicContact CE2-CD1 3.47Å; F242-I296 VanDerWaalsContact CE2-CD1 3.47Å; F242-I296 HydrophobicContact CE2-CG1 3.6Å; F242-I296 HydrophobicContact CE2-CG2 4.21Å; F242-I296 HydrophobicContact CZ-CD1 3.78Å; F242-I296 HydrophobicContact CZ-CG1 3.87Å; F268-I296 HydrophobicContact CE1-CG2 4.01Å; F268-I296 HydrophobicContact CZ-CG2 3.93Å; P270-I296 HydrophobicContact CB-CB 4.36Å; P270-I296 HydrophobicContact CB-CD1 4.1Å; P270-I296 HydrophobicContact CB-CG2 4.5Å; K292-I296 HydrophobicContact CD-CD1 4.38Å; K292-I296 HydrophobicContact CG-CD1 4.12Å; K292-I296 WeakPolarHBondContact O-CG1 3.39Å; K292-I296 PolarHBondContact O-N 2.89Å; G293-I296 PolarHBondContact O-N 3Å; I294-I296 VanDerWaalsContact C-N 3.28Å; I294-I296 PolarHBondContact O-N 3.35Å; I296-V298 VanDerWaalsContact C-N 3.34Å; I296-V298 PolarHBondContact O-N 2.85Å; I296-H299 PolarHBondContact O-N 3.36Å; I296-L300 VanDerWaalsContact O-CB 3.29Å; I296-L300 WeakPolarHBondContact O-CB 3.48Å; I296-L300 PolarHBondContact O-N 2.82Å |
| 297 | Y | 88.3 | Confident | 86.4 | Confident | 57 Ų | 57 | 46.8 Ų | 46.8 | 22% | 0.224 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 175.1 | -85 | -63.2 | 0 | 0 | 0 | 111.8 | F268 P270 G293 I294 H299 L300 I301 | F268-Y297 AromaticContact CD1-CE1 3.91Å; F268-Y297 HydrophobicContact CD1-CE1 3.91Å; F268-Y297 HydrophobicContact CE1-CE1 4.37Å; F268-Y297 PolarHBondContact O-OH 3.47Å; P270-Y297 HydrophobicContact CG-CD2 3.99Å; P270-Y297 HydrophobicContact CG-CE2 3.58Å; G293-Y297 WeakPolarHBondContact O-CD2 3.25Å; G293-Y297 PolarHBondContact O-N 2.79Å; I294-Y297 PolarHBondContact O-N 2.67Å; Y297-H299 VanDerWaalsContact C-N 3.33Å; Y297-H299 PolarHBondContact O-N 3Å; Y297-L300 PolarHBondContact O-N 2.66Å; Y297-I301 HydrophobicContact CD1-CD1 4.34Å; Y297-I301 WeakPolarHBondContact O-CB 3.23Å; Y297-I301 WeakPolarHBondContact O-CD1 3.04Å; Y297-I301 WeakPolarHBondContact O-CG1 3.25Å; Y297-I301 PolarHBondContact O-N 2.65Å |
| 298 | V | 86 | Confident | 85.1 | Confident | 63 Ų | 63 | 45 Ų | 45 | 38% | 0.382 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.3 | -45.7 | 177.3 | 169 | 0 | 0 | 0 | 0 | 111.9 | L93 I294 N295 I296 A302 | L93-V298 WeakPolarHBondContact O-CG2 3.26Å; I294-V298 HydrophobicContact CG2-CG2 4.48Å; I294-V298 WeakPolarHBondContact O-CG2 2.97Å; I294-V298 PolarHBondContact O-N 2.86Å; N295-V298 PolarHBondContact O-N 3.42Å; I296-V298 VanDerWaalsContact C-N 3.34Å; I296-V298 PolarHBondContact O-N 2.85Å; V298-A302 WeakPolarHBondContact O-CB 3.22Å; V298-A302 PolarHBondContact O-N 2.8Å |
| 299 | H | 84.7 | Confident | 84.8 | Confident | 93 Ų | 93 | 43.8 Ų | 43.8 | 43% | 0.431 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -69.2 | -44.9 | 176.8 | -70.5 | 82.5 | 0 | 0 | 0 | 112 | L240 N295 I296 Y297 A302 S303 | L240-H299 HydrophobicContact CD1-CB 4.13Å; N295-H299 PolarHBondContact O-N 3.16Å; N295-H299 PolarHBondContact O-ND1 2.99Å; I296-H299 PolarHBondContact O-N 3.36Å; Y297-H299 VanDerWaalsContact C-N 3.33Å; Y297-H299 PolarHBondContact O-N 3Å; H299-A302 PolarHBondContact O-N 3.22Å; H299-S303 WeakPolarHBondContact O-CB 3.43Å; H299-S303 PolarHBondContact O-N 3.49Å; H299-S303 PolarHBondContact O-OG 2.86Å; H299-S303 VanDerWaalsContact O-OG 3.12Å |
| 300 | L | 88 | Confident | 84.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.8 | -49.1 | -178.1 | -177.4 | 59.5 | 0 | 0 | 0 | 112.1 | L129 I233 V236 F237 F268 I296 Y297 S303 L304 | L129-L300 HydrophobicContact CD1-CD2 3.69Å; L129-L300 HydrophobicContact CD1-CG 4.12Å; I233-L300 HydrophobicContact CB-CD1 4.47Å; I233-L300 HydrophobicContact CG1-CD1 4.21Å; I233-L300 HydrophobicContact CG2-CD1 4.47Å; V236-L300 HydrophobicContact CB-CD1 4.11Å; V236-L300 HydrophobicContact CG1-CB 4.25Å; V236-L300 HydrophobicContact CG1-CD1 4.11Å; V236-L300 HydrophobicContact CG2-CD1 4.13Å; F237-L300 HydrophobicContact CZ-CD2 4.37Å; F268-L300 HydrophobicContact CD1-CD2 3.8Å; F268-L300 HydrophobicContact CE1-CD2 3.97Å; F268-L300 HydrophobicContact CG-CD2 4.49Å; I296-L300 VanDerWaalsContact O-CB 3.29Å; I296-L300 WeakPolarHBondContact O-CB 3.48Å; I296-L300 PolarHBondContact O-N 2.82Å; Y297-L300 PolarHBondContact O-N 2.66Å; L300-S303 PolarHBondContact O-N 3.06Å; L300-L304 HydrophobicContact CD1-CD1 3.96Å; L300-L304 HydrophobicContact CD1-CG 4.36Å; L300-L304 HydrophobicContact CG-CD1 3.91Å; L300-L304 WeakPolarHBondContact O-CB 3.32Å; L300-L304 WeakPolarHBondContact O-CD1 3.13Å; L300-L304 WeakPolarHBondContact O-CG 3.06Å; L300-L304 PolarHBondContact O-N 2.99Å |
| 301 | I | 85.6 | Confident | 84.4 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 10% | 0.097 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65 | -42.8 | 179.4 | -60.9 | 157.3 | 0 | 0 | 0 | 110.3 | L71 L94 S95 Y297 L304 A305 | L71-I301 HydrophobicContact CD1-CD1 3.82Å; L71-I301 HydrophobicContact CD1-CG1 4.14Å; L94-I301 WeakPolarHBondContact O-CD1 3.31Å; S95-I301 VanDerWaalsContact OG-CD1 3.23Å; S95-I301 WeakPolarHBondContact OG-CD1 2.84Å; Y297-I301 HydrophobicContact CD1-CD1 4.34Å; Y297-I301 WeakPolarHBondContact O-CB 3.23Å; Y297-I301 WeakPolarHBondContact O-CD1 3.04Å; Y297-I301 WeakPolarHBondContact O-CG1 3.25Å; Y297-I301 PolarHBondContact O-N 2.65Å; I301-L304 PolarHBondContact O-N 2.95Å; I301-A305 VanDerWaalsContact O-CB 3.27Å; I301-A305 WeakPolarHBondContact O-CB 3.48Å; I301-A305 PolarHBondContact O-N 3.5Å |
| 302 | A | 83.2 | Confident | 84.1 | Confident | 46 Ų | 46 | 47.4 Ų | 47.4 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V298 H299 A305 N306 | V298-A302 WeakPolarHBondContact O-CB 3.22Å; V298-A302 PolarHBondContact O-N 2.8Å; H299-A302 PolarHBondContact O-N 3.22Å; A302-A305 PolarHBondContact O-N 3.32Å; A302-N306 PolarHBondContact O-N 3.45Å; A302-N306 PolarHBondContact O-ND2 3.36Å |
| 303 | S | 85.7 | Confident | 83.7 | Confident | 38 Ų | 38 | 45.1 Ų | 45.1 | 27% | 0.266 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68 | -37.8 | 178.7 | -65.6 | 0 | 0 | 0 | 0 | 112.8 | T232 V236 H299 L300 N306 A307 | T232-S303 WeakPolarHBondContact CG2-O 3.26Å; V236-S303 WeakPolarHBondContact CG2-OG 3.31Å; H299-S303 WeakPolarHBondContact O-CB 3.43Å; H299-S303 PolarHBondContact O-N 3.49Å; H299-S303 PolarHBondContact O-OG 2.86Å; H299-S303 VanDerWaalsContact O-OG 3.12Å; L300-S303 PolarHBondContact O-N 3.06Å; S303-N306 PolarHBondContact O-N 3.44Å; S303-A307 PolarHBondContact O-N 2.98Å |
| 304 | L | 86 | Confident | 83.3 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64 | -42.3 | 172.7 | -68.3 | 165.3 | 0 | 0 | 0 | 111.3 | I69 L127 L129 W229 T232 I233 L300 I301 N306 A307 | I69-L304 HydrophobicContact CD1-CB 3.6Å; I69-L304 HydrophobicContact CG1-CB 4.4Å; L127-L304 HydrophobicContact CD1-CD1 4.14Å; L127-L304 HydrophobicContact CD2-CB 4.3Å; L127-L304 HydrophobicContact CD2-CD1 4.32Å; L127-L304 HydrophobicContact CD2-CD2 3.81Å; L127-L304 HydrophobicContact CD2-CG 4.36Å; L129-L304 HydrophobicContact CD1-CD1 4.03Å; L129-L304 HydrophobicContact CD2-CD1 4.5Å; L129-L304 HydrophobicContact CG-CD1 4.46Å; W229-L304 HydrophobicContact CE3-CD2 4.39Å; T232-L304 HydrophobicContact CG2-CD2 3.63Å; T232-L304 HydrophobicContact CG2-CG 4.08Å; I233-L304 HydrophobicContact CG1-CD2 4.06Å; L300-L304 HydrophobicContact CD1-CD1 3.96Å; L300-L304 HydrophobicContact CD1-CG 4.36Å; L300-L304 HydrophobicContact CG-CD1 3.91Å; L300-L304 WeakPolarHBondContact O-CB 3.32Å; L300-L304 WeakPolarHBondContact O-CD1 3.13Å; L300-L304 WeakPolarHBondContact O-CG 3.06Å; L300-L304 PolarHBondContact O-N 2.99Å; I301-L304 PolarHBondContact O-N 2.95Å; L304-N306 PolarHBondContact O-N 2.78Å; L304-A307 WeakPolarHBondContact O-CB 3.46Å; L304-A307 PolarHBondContact O-N 2.84Å; L304-A307 VanDerWaalsContact O-N 3.08Å |
| 305 | A | 80.8 | Confident | 83 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 46% | 0.463 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.9 | -18.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | I69 I301 A302 | I69-A305 VanDerWaalsContact CD1-CA 3.41Å; I69-A305 HydrophobicContact CD1-CB 3.87Å; I301-A305 VanDerWaalsContact O-CB 3.27Å; I301-A305 WeakPolarHBondContact O-CB 3.48Å; I301-A305 PolarHBondContact O-N 3.5Å; A302-A305 PolarHBondContact O-N 3.32Å |
| 306 | N | 80.1 | Confident | 82.8 | Confident | 139 Ų | 139 | 47.5 Ų | 47.5 | 74% | 0.743 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | 13.2 | 174.3 | -69.3 | -85.3 | 0 | 0 | 0 | 112.8 | A302 S303 L304 | A302-N306 PolarHBondContact O-N 3.45Å; A302-N306 PolarHBondContact O-ND2 3.36Å; S303-N306 PolarHBondContact O-N 3.44Å; L304-N306 PolarHBondContact O-N 2.78Å |
| 307 | A | 77.2 | Confident | 82.2 | Confident | 24 Ų | 24 | 51.2 Ų | 51.2 | 20% | 0.198 | 31% | 0.31 | C | S | . | . | trans | -95.9 | -11.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L228 W229 T232 S303 L304 | L228-A307 HydrophobicContact CD1-CB 4.27Å; W229-A307 HydrophobicContact CZ3-CB 4.48Å; T232-A307 HydrophobicContact CG2-CB 4.08Å; T232-A307 WeakPolarHBondContact OG1-CB 3.43Å; S303-A307 PolarHBondContact O-N 2.98Å; L304-A307 WeakPolarHBondContact O-CB 3.46Å; L304-A307 PolarHBondContact O-N 2.84Å; L304-A307 VanDerWaalsContact O-N 3.08Å | ||
| 308 | C | 61.2 | Low | 81.7 | Confident | 79 Ų | 79 | 50.6 Ų | 50.6 | 53% | 0.534 | 32% | 0.318 | S | S | . | . | trans | -82.7 | 0 | -178.6 | -54.4 | 0 | 0 | 0 | 0 | 112.7 | L66 W229 | L66-C308 HydrophobicContact CB-CB 4.19Å; L66-C308 HydrophobicContact CD1-CB 3.89Å; L66-C308 HydrophobicContact CG-CB 4.47Å; W229-C308 VanDerWaalsContact CH2-SG 3.52Å |
Retrieved 308 of 308 residues in 293.8 ms
(Link to these results)