| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.3 | Very low | 60 | Low | 37 Ų | 37 | 50.3 Ų | 50.3 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | 0 | 135.6 | 0 | -78 | -144.3 | -83.1 | 0 | 0 | 109.1 | V3 F83 A88 L91 V142 D144 W166 | M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 HydrophobicContact CB-CG2 4.29Å; M1-V3 PolarHBondContact O-N 2.9Å; M1-V3 VanDerWaalsContact O-N 3.15Å; M1-F83 HydrophobicContact CE-CB 3.27Å; M1-F83 HydrophobicContact CE-CD1 4.48Å; M1-F83 HydrophobicContact CE-CD2 3.37Å; M1-F83 HydrophobicContact CE-CE2 4.37Å; M1-F83 HydrophobicContact CE-CG 3.46Å; M1-F83 VanDerWaalsContact CE-CG 3.46Å; M1-A88 HydrophobicContact CE-CB 3.8Å; M1-A88 HydrophobicContact CG-CB 3.76Å; M1-A88 WeakPolarHBondContact SD-CA 3.43Å; M1-A88 HydrophobicContact SD-CB 3.37Å; M1-A88 WeakPolarHBondContact SD-CB 3.49Å; M1-L91 HydrophobicContact CE-CB 4.07Å; M1-L91 HydrophobicContact CE-CD1 3.65Å; M1-L91 HydrophobicContact CE-CG 4.46Å; M1-L91 HydrophobicContact SD-CB 4.32Å; M1-V142 HydrophobicContact CG-CG1 4.38Å; M1-V142 HydrophobicContact SD-CG1 4.4Å; M1-D144 WeakPolarHBondContact CA-OD2 3.29Å; M1-W166 CarbonylContact C-O 3.53Å; M1-W166 VanDerWaalsContact C-O 3.28Å | |||
| 2 | A | 48.5 | Very low | 61.4 | Low | 18 Ų | 18 | 46.8 Ų | 46.8 | 15% | 0.149 | 27% | 0.272 | C | S | . | . | trans | -75.8 | 87.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | V4 D144 H165 W166 | A2-V4 PolarHBondContact O-N 3.02Å; A2-D144 HydrophobicContact CB-CB 4.22Å; A2-D144 PolarHBondContact N-OD2 3.05Å; A2-H165 WeakPolarHBondContact CB-CE1 3.47Å; A2-H165 WeakPolarHBondContact CB-NE2 3.35Å; A2-W166 WeakPolarHBondContact CA-O 3.43Å; A2-W166 PolarHBondContact N-O 2.8Å | ||
| 3 | V | 49.2 | Very low | 62.5 | Low | 30 Ų | 30 | 47.3 Ų | 47.3 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | trans | -75.4 | 114.7 | 166.5 | -171 | 0 | 0 | 0 | 0 | 106 | M1 G5 | M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 HydrophobicContact CB-CG2 4.29Å; M1-V3 PolarHBondContact O-N 2.9Å; M1-V3 VanDerWaalsContact O-N 3.15Å; V3-G5 VanDerWaalsContact CG1-O 3.32Å; V3-G5 WeakPolarHBondContact CG1-O 3.41Å; V3-G5 PolarHBondContact O-N 3Å | ||
| 4 | V | 49.1 | Very low | 63.5 | Low | 73 Ų | 73 | 54.2 Ų | 54.2 | 44% | 0.442 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -69.1 | 108.4 | 166.9 | -179.2 | 0 | 0 | 0 | 0 | 106 | A2 H163 | A2-V4 PolarHBondContact O-N 3.02Å; V4-H163 HydrophobicContact CG1-CB 4.09Å; V4-H163 VanDerWaalsContact CG1-ND1 3.32Å; V4-H163 WeakPolarHBondContact CG1-ND1 3.21Å |
| 5 | G | 53.7 | Low | 64.2 | Low | 12 Ų | 12 | 52.3 Ų | 52.3 | 12% | 0.124 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 89.2 | 177.1 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | V3 | V3-G5 VanDerWaalsContact CG1-O 3.32Å; V3-G5 WeakPolarHBondContact CG1-O 3.41Å; V3-G5 PolarHBondContact O-N 3Å |
| 6 | H | 54.1 | Low | 64.7 | Low | 37 Ų | 37 | 49.3 Ų | 49.3 | 17% | 0.171 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -94.2 | -16.6 | -173 | -58.2 | -58.9 | 0 | 0 | 0 | 114.2 | F207 C208 I210 S211 | H6-F207 PolarHBondContact CE1-O 3.3Å; H6-F207 AromaticContact ND1-CD2 3.72Å; H6-F207 AromaticContact ND1-CE2 3.88Å; H6-F207 PolarHBondContact ND1-O 2.88Å; H6-F207 VanDerWaalsContact ND1-O 3.11Å; H6-C208 HydrophobicContact CB-CB 4.21Å; H6-C208 WeakPolarHBondContact ND1-CA 3.44Å; H6-I210 PolarHBondContact CD2-O 2.79Å; H6-I210 PolarHBondContact CE1-O 2.77Å; H6-I210 PolarHBondContact NE2-O 3.2Å; H6-S211 PolarHBondContact NE2-O 2.94Å |
| 7 | T | 62.3 | Low | 65.1 | Low | 118 Ų | 118 | 51.2 Ų | 51.2 | 72% | 0.724 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -134.6 | 136.3 | -173.9 | 44.7 | 0 | 0 | 0 | 0 | 109.2 | ||
| 8 | L | 68.9 | Low | 65.4 | Low | 26 Ų | 26 | 54.3 Ų | 54.3 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | trans | -61.2 | 140.7 | 168.7 | -75.2 | 178.7 | 0 | 0 | 0 | 109.6 | L12 L13 V16 F83 L91 | L8-L12 HydrophobicContact CB-CB 4.35Å; L8-L12 HydrophobicContact CD2-CB 4.12Å; L8-L12 HydrophobicContact CD2-CD1 4.21Å; L8-L13 HydrophobicContact CB-CB 4.23Å; L8-L13 HydrophobicContact CD1-CD1 4.29Å; L8-V16 HydrophobicContact CD1-CG2 4.22Å; L8-F83 HydrophobicContact CD1-CE1 3.5Å; L8-F83 VanDerWaalsContact CD1-CE1 3.5Å; L8-F83 HydrophobicContact CD1-CE2 4.16Å; L8-F83 HydrophobicContact CD1-CZ 3.18Å; L8-F83 HydrophobicContact CD2-CZ 4.28Å; L8-F83 HydrophobicContact CG-CE1 4.42Å; L8-F83 HydrophobicContact CG-CE2 4.23Å; L8-F83 HydrophobicContact CG-CZ 3.65Å; L8-L91 HydrophobicContact CD1-CD1 4.41Å; L8-L91 HydrophobicContact CD1-CD2 4.12Å; L8-L91 HydrophobicContact CD2-CB 4.46Å; L8-L91 HydrophobicContact CD2-CD2 4.23Å | ||
| 9 | E | 72.7 | Confident | 65.3 | Low | 57 Ų | 57 | 53.3 Ų | 53.3 | 27% | 0.266 | 28% | 0.277 | S | S | . | . | trans | -57.2 | 146.3 | 167.2 | -70.5 | -178.9 | -162.7 | 0 | 0 | 109.8 | Q11 L12 L13 K93 T386 | E9-Q11 PolarHBondContact O-N 2.86Å; E9-L12 PolarHBondContact O-N 3.15Å; E9-L13 PolarHBondContact O-N 3.5Å; E9-K93 IonicContact OE1-NZ 2.64Å; E9-K93 PolarHBondContact OE1-NZ 3.02Å; E9-T386 PolarHBondContact OE1-OG1 3.24Å; E9-T386 WeakPolarHBondContact OE2-CB 3.31Å; E9-T386 PolarHBondContact OE2-N 3.24Å; E9-T386 PolarHBondContact OE2-OG1 2.95Å | ||
| 10 | P | 75.3 | Confident | 65.3 | Low | 94 Ų | 94 | 51.3 Ų | 51.3 | 61% | 0.61 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -54.5 | -29.6 | -176.2 | -28.3 | 34.9 | 0 | 0 | 0 | 114.9 | R14 | P10-R14 WeakPolarHBondContact O-CB 3.43Å; P10-R14 WeakPolarHBondContact O-CG 3.49Å; P10-R14 PolarHBondContact O-N 2.88Å; P10-R14 VanDerWaalsContact O-N 3.1Å; P10-R14 PolarHBondContact O-NE 2.93Å |
| 11 | Q | 76.5 | Confident | 65.3 | Low | 51 Ų | 51 | 55.6 Ų | 55.6 | 24% | 0.238 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.1 | -46.5 | 175.2 | -71.7 | -176.4 | -30.4 | 0 | 0 | 112.2 | E9 L13 R14 M15 I385 F387 | E9-Q11 PolarHBondContact O-N 2.86Å; Q11-L13 VanDerWaalsContact C-N 3.35Å; Q11-R14 PolarHBondContact O-N 2.92Å; Q11-M15 WeakPolarHBondContact O-CG 3.35Å; Q11-M15 PolarHBondContact O-N 3.19Å; Q11-M15 VanDerWaalsContact O-N 3.11Å; Q11-I385 VanDerWaalsContact OE1-CG2 3.29Å; Q11-F387 HydrophobicContact CB-CE1 3.96Å; Q11-F387 HydrophobicContact CB-CZ 4.19Å; Q11-F387 PolarHBondContact NE2-O 3.36Å; Q11-F387 PolarHBondContact OE1-O 3.28Å |
| 12 | L | 77.4 | Confident | 65.9 | Low | 8 Ų | 8 | 58.1 Ų | 58.1 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.4 | -37.1 | 177.6 | -67.7 | 177.2 | 0 | 0 | 0 | 111.1 | L8 E9 M15 V16 L91 T386 F387 | L8-L12 HydrophobicContact CB-CB 4.35Å; L8-L12 HydrophobicContact CD2-CB 4.12Å; L8-L12 HydrophobicContact CD2-CD1 4.21Å; E9-L12 PolarHBondContact O-N 3.15Å; L12-M15 HydrophobicContact CD2-SD 4.24Å; L12-M15 WeakPolarHBondContact O-CB 3.5Å; L12-M15 PolarHBondContact O-N 3.33Å; L12-V16 WeakPolarHBondContact O-CG2 3.46Å; L12-V16 PolarHBondContact O-N 2.86Å; L12-L91 HydrophobicContact CB-CD2 4.19Å; L12-T386 HydrophobicContact CD1-CG2 4.44Å; L12-T386 HydrophobicContact CD2-CG2 4.23Å; L12-T386 HydrophobicContact CG-CG2 4.44Å; L12-F387 HydrophobicContact CD2-CE1 4.31Å |
| 13 | L | 75.6 | Confident | 66.2 | Low | 54 Ų | 54 | 60 Ų | 60 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.3 | -49 | 176.1 | -174.4 | 64.6 | 0 | 0 | 0 | 111.2 | L8 E9 Q11 M15 V16 E17 | L8-L13 HydrophobicContact CB-CB 4.23Å; L8-L13 HydrophobicContact CD1-CD1 4.29Å; E9-L13 PolarHBondContact O-N 3.5Å; Q11-L13 VanDerWaalsContact C-N 3.35Å; L13-M15 VanDerWaalsContact C-N 3.3Å; L13-M15 PolarHBondContact O-N 3.33Å; L13-V16 PolarHBondContact O-N 2.89Å; L13-E17 WeakPolarHBondContact O-CG 3.32Å; L13-E17 PolarHBondContact O-N 3.01Å |
| 14 | R | 76.8 | Confident | 66.3 | Low | 144 Ų | 144 | 61.9 Ų | 61.9 | 54% | 0.543 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.7 | -42.2 | 175.2 | -83.1 | -173.4 | -80.5 | 176.5 | -7.1 | 112.6 | P10 Q11 V16 E17 E18 | P10-R14 WeakPolarHBondContact O-CB 3.43Å; P10-R14 WeakPolarHBondContact O-CG 3.49Å; P10-R14 PolarHBondContact O-N 2.88Å; P10-R14 VanDerWaalsContact O-N 3.1Å; P10-R14 PolarHBondContact O-NE 2.93Å; Q11-R14 PolarHBondContact O-N 2.92Å; R14-V16 VanDerWaalsContact C-N 3.27Å; R14-V16 PolarHBondContact O-N 3.39Å; R14-E17 PolarHBondContact O-N 2.77Å; R14-E17 VanDerWaalsContact O-N 3.14Å; R14-E18 WeakPolarHBondContact O-CG 3.47Å; R14-E18 PolarHBondContact O-N 2.81Å |
| 15 | M | 73.9 | Confident | 66.4 | Low | 26 Ų | 26 | 60.6 Ų | 60.6 | 13% | 0.128 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.5 | -37.3 | 175.1 | -76.1 | 179.3 | 51 | 0 | 0 | 113.2 | Q11 L12 L13 Y19 K375 F387 | Q11-M15 WeakPolarHBondContact O-CG 3.35Å; Q11-M15 PolarHBondContact O-N 3.19Å; Q11-M15 VanDerWaalsContact O-N 3.11Å; L12-M15 HydrophobicContact CD2-SD 4.24Å; L12-M15 WeakPolarHBondContact O-CB 3.5Å; L12-M15 PolarHBondContact O-N 3.33Å; L13-M15 VanDerWaalsContact C-N 3.3Å; L13-M15 PolarHBondContact O-N 3.33Å; M15-Y19 VanDerWaalsContact O-CB 3.3Å; M15-Y19 WeakPolarHBondContact O-CB 3.46Å; M15-Y19 PolarHBondContact O-N 3.05Å; M15-Y19 VanDerWaalsContact O-N 3.15Å; M15-K375 HydrophobicContact SD-CD 4.37Å; M15-K375 PolarHBondContact SD-NZ 2.81Å; M15-F387 HydrophobicContact CG-CE1 4.4Å; M15-F387 HydrophobicContact CG-CZ 4.04Å; M15-F387 HydrophobicContact SD-CD1 4.31Å; M15-F387 HydrophobicContact SD-CE1 3.25Å; M15-F387 WeakPolarHBondContact SD-CE1 3.5Å; M15-F387 HydrophobicContact SD-CE2 4.36Å; M15-F387 HydrophobicContact SD-CZ 3.29Å; M15-F387 WeakPolarHBondContact SD-CZ 3.09Å |
| 16 | V | 71.3 | Confident | 66.1 | Low | 4 Ų | 4 | 68.8 Ų | 68.8 | 2% | 0.024 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -76.4 | -33.1 | 177.4 | -169.6 | 0 | 0 | 0 | 0 | 111.6 | L8 L12 L13 R14 Y19 A20 G32 F83 L91 | L8-V16 HydrophobicContact CD1-CG2 4.22Å; L12-V16 WeakPolarHBondContact O-CG2 3.46Å; L12-V16 PolarHBondContact O-N 2.86Å; L13-V16 PolarHBondContact O-N 2.89Å; R14-V16 VanDerWaalsContact C-N 3.27Å; R14-V16 PolarHBondContact O-N 3.39Å; V16-Y19 WeakPolarHBondContact O-CB 3.45Å; V16-Y19 PolarHBondContact O-N 2.87Å; V16-A20 VanDerWaalsContact O-CB 3.32Å; V16-A20 WeakPolarHBondContact O-CB 3.25Å; V16-A20 PolarHBondContact O-N 3.37Å; V16-G32 WeakPolarHBondContact CG1-O 3.07Å; V16-F83 HydrophobicContact CG1-CE1 4.5Å; V16-F83 HydrophobicContact CG2-CE1 4.31Å; V16-L91 HydrophobicContact CG2-CD1 3.86Å; V16-L91 HydrophobicContact CG2-CD2 3.32Å; V16-L91 HydrophobicContact CG2-CG 4.1Å |
| 17 | E | 72.8 | Confident | 65.9 | Low | 82 Ų | 82 | 68.8 Ų | 68.8 | 38% | 0.383 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.6 | -50.4 | 175.2 | -70.8 | 168.7 | 169.4 | 0 | 0 | 110.6 | L13 R14 Y19 A20 E21 | L13-E17 WeakPolarHBondContact O-CG 3.32Å; L13-E17 PolarHBondContact O-N 3.01Å; R14-E17 PolarHBondContact O-N 2.77Å; R14-E17 VanDerWaalsContact O-N 3.14Å; E17-Y19 VanDerWaalsContact C-N 3.28Å; E17-Y19 PolarHBondContact O-N 3.2Å; E17-A20 WeakPolarHBondContact O-CB 3.34Å; E17-A20 PolarHBondContact O-N 2.79Å; E17-E21 WeakPolarHBondContact O-CG 3.36Å; E17-E21 PolarHBondContact O-N 3.1Å |
| 18 | E | 69.8 | Low | 65.3 | Low | 106 Ų | 106 | 66.7 Ų | 66.7 | 50% | 0.495 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55.7 | -42.9 | 173.6 | -71.6 | 168.9 | -171.4 | 0 | 0 | 111.8 | R14 A20 E21 N22 | R14-E18 WeakPolarHBondContact O-CG 3.47Å; R14-E18 PolarHBondContact O-N 2.81Å; E18-A20 VanDerWaalsContact C-N 3.34Å; E18-A20 PolarHBondContact O-N 3.39Å; E18-E21 PolarHBondContact O-N 3.08Å; E18-N22 PolarHBondContact O-N 2.9Å; E18-N22 PolarHBondContact O-ND2 3.39Å |
| 19 | Y | 64.4 | Low | 64.5 | Low | 35 Ų | 35 | 67.9 Ų | 67.9 | 14% | 0.137 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 174.6 | 175 | -74.5 | 0 | 0 | 0 | 112.6 | M15 V16 E17 N23 S86 V87 F319 | M15-Y19 VanDerWaalsContact O-CB 3.3Å; M15-Y19 WeakPolarHBondContact O-CB 3.46Å; M15-Y19 PolarHBondContact O-N 3.05Å; M15-Y19 VanDerWaalsContact O-N 3.15Å; V16-Y19 WeakPolarHBondContact O-CB 3.45Å; V16-Y19 PolarHBondContact O-N 2.87Å; E17-Y19 VanDerWaalsContact C-N 3.28Å; E17-Y19 PolarHBondContact O-N 3.2Å; Y19-N23 PolarHBondContact O-N 3.35Å; Y19-N23 PolarHBondContact O-ND2 3.16Å; Y19-S86 VanDerWaalsContact OH-CB 3.3Å; Y19-S86 WeakPolarHBondContact OH-CB 3.33Å; Y19-S86 PolarHBondContact OH-OG 3.25Å; Y19-V87 HydrophobicContact CD1-CG1 3.49Å; Y19-V87 VanDerWaalsContact CD1-CG1 3.49Å; Y19-V87 HydrophobicContact CD2-CG1 3.75Å; Y19-V87 HydrophobicContact CE1-CG1 3.27Å; Y19-V87 HydrophobicContact CE2-CG1 3.39Å; Y19-V87 HydrophobicContact CG-CG1 3.77Å; Y19-F319 HydrophobicContact CD2-CB 3.44Å; Y19-F319 VanDerWaalsContact CD2-CB 3.44Å; Y19-F319 HydrophobicContact CD2-CD2 4.39Å; Y19-F319 HydrophobicContact CD2-CG 4.08Å; Y19-F319 HydrophobicContact CE1-CB 4.42Å; Y19-F319 HydrophobicContact CE1-CD1 4.38Å; Y19-F319 HydrophobicContact CE1-CG 4.36Å; Y19-F319 HydrophobicContact CE2-CB 2.91Å; Y19-F319 AromaticContact CE2-CD1 3.85Å; Y19-F319 HydrophobicContact CE2-CD1 3.85Å; Y19-F319 AromaticContact CE2-CD2 3.2Å; Y19-F319 HydrophobicContact CE2-CD2 3.2Å; Y19-F319 HydrophobicContact CE2-CE2 4.05Å; Y19-F319 AromaticContact CE2-CG 3.05Å; Y19-F319 HydrophobicContact CE2-CG 3.05Å; Y19-F319 HydrophobicContact CG-CB 4.41Å; Y19-F319 VanDerWaalsContact CZ-CB 3.45Å; Y19-F319 AromaticContact CZ-CD1 3.45Å; Y19-F319 VanDerWaalsContact CZ-CD1 3.45Å; Y19-F319 AromaticContact CZ-CD2 3.5Å; Y19-F319 AromaticContact CZ-CE1 3.97Å; Y19-F319 AromaticContact CZ-CE2 3.98Å; Y19-F319 AromaticContact CZ-CG 3.19Å; Y19-F319 WeakPolarHBondContact OH-CD1 3.46Å; Y19-F319 WeakPolarHBondContact OH-CD2 3.4Å; Y19-F319 WeakPolarHBondContact OH-CE1 3.24Å; Y19-F319 WeakPolarHBondContact OH-CE2 3.49Å; Y19-F319 WeakPolarHBondContact OH-CG 3.41Å; Y19-F319 WeakPolarHBondContact OH-CZ 3.29Å |
| 20 | A | 63.9 | Low | 63.5 | Low | 13 Ų | 13 | 65.5 Ų | 65.5 | 11% | 0.107 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -71.8 | -34.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V16 E17 E18 N23 S24 | V16-A20 VanDerWaalsContact O-CB 3.32Å; V16-A20 WeakPolarHBondContact O-CB 3.25Å; V16-A20 PolarHBondContact O-N 3.37Å; E17-A20 WeakPolarHBondContact O-CB 3.34Å; E17-A20 PolarHBondContact O-N 2.79Å; E18-A20 VanDerWaalsContact C-N 3.34Å; E18-A20 PolarHBondContact O-N 3.39Å; A20-N23 PolarHBondContact O-N 2.97Å; A20-S24 PolarHBondContact O-N 2.8Å; A20-S24 VanDerWaalsContact O-N 3.09Å |
| 21 | E | 66.3 | Low | 62.6 | Low | 142 Ų | 142 | 68.1 Ų | 68.1 | 66% | 0.664 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.8 | -43.7 | 174.1 | -72.2 | 175.8 | 178.7 | 0 | 0 | 111.6 | E17 E18 N23 S24 | E17-E21 WeakPolarHBondContact O-CG 3.36Å; E17-E21 PolarHBondContact O-N 3.1Å; E18-E21 PolarHBondContact O-N 3.08Å; E21-N23 PolarHBondContact O-N 3.02Å; E21-S24 PolarHBondContact O-OG 2.78Å |
| 22 | N | 61.4 | Low | 61.9 | Low | 91 Ų | 91 | 66 Ų | 66 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.6 | -18.1 | 178.6 | -71.3 | -28.5 | 0 | 0 | 0 | 114.1 | E18 | E18-N22 PolarHBondContact O-N 2.9Å; E18-N22 PolarHBondContact O-ND2 3.39Å |
| 23 | N | 55.7 | Low | 61.8 | Low | 57 Ų | 57 | 68.4 Ų | 68.4 | 31% | 0.305 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 3.2 | -175 | -70.4 | -70.4 | 0 | 0 | 0 | 114.2 | Y19 A20 E21 G25 F319 | Y19-N23 PolarHBondContact O-N 3.35Å; Y19-N23 PolarHBondContact O-ND2 3.16Å; A20-N23 PolarHBondContact O-N 2.97Å; E21-N23 PolarHBondContact O-N 3.02Å; N23-G25 PolarHBondContact O-N 2.83Å; N23-F319 PolarHBondContact ND2-O 2.73Å |
| 24 | S | 51 | Low | 61.8 | Low | 70 Ų | 70 | 66.4 Ų | 66.4 | 49% | 0.49 | 35% | 0.353 | S | S | . | . | trans | -72.3 | 99.4 | 175.5 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | A20 E21 | A20-S24 PolarHBondContact O-N 2.8Å; A20-S24 VanDerWaalsContact O-N 3.09Å; E21-S24 PolarHBondContact O-OG 2.78Å | ||
| 25 | G | 50.2 | Low | 62.1 | Low | 46 Ų | 46 | 59.9 Ų | 59.9 | 47% | 0.474 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -72.3 | -166.7 | 150.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | N23 V27 | N23-G25 PolarHBondContact O-N 2.83Å; G25-V27 PolarHBondContact O-N 2.81Å |
| 26 | D | 47.4 | Very low | 62.3 | Low | 184 Ų | 184 | 61.6 Ų | 61.6 | 98% | 0.984 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -61.5 | 15.5 | 173.5 | -71.6 | -38.1 | 0 | 0 | 0 | 114.8 | ||
| 27 | V | 50.1 | Low | 63 | Low | 37 Ų | 37 | 61.4 Ų | 61.4 | 22% | 0.224 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -101.2 | 128.9 | -171.3 | -173.8 | 0 | 0 | 0 | 0 | 108.2 | G25 S29 F36 F37 | G25-V27 PolarHBondContact O-N 2.81Å; V27-S29 PolarHBondContact O-N 3.11Å; V27-F36 HydrophobicContact CB-CE2 4.06Å; V27-F36 HydrophobicContact CB-CZ 4.3Å; V27-F36 HydrophobicContact CG1-CD2 4.47Å; V27-F36 HydrophobicContact CG1-CE2 4.37Å; V27-F36 HydrophobicContact CG2-CE1 4.32Å; V27-F36 HydrophobicContact CG2-CE2 3.87Å; V27-F36 HydrophobicContact CG2-CZ 3.64Å; V27-F37 VanDerWaalsContact CG1-C 3.45Å; V27-F37 WeakPolarHBondContact CG1-O 3.34Å |
| 28 | V | 50.1 | Low | 63.6 | Low | 74 Ų | 74 | 59.1 Ų | 59.1 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | trans | -60 | 94.3 | 179.1 | -175.3 | 0 | 0 | 0 | 0 | 109.5 | A30 L77 | V28-A30 PolarHBondContact O-N 3.23Å; V28-L77 HydrophobicContact CB-CD2 3.84Å; V28-L77 HydrophobicContact CG1-CD2 3.48Å; V28-L77 VanDerWaalsContact CG1-CD2 3.48Å; V28-L77 HydrophobicContact CG1-CG 4.28Å; V28-L77 HydrophobicContact CG2-CD2 4.48Å | ||
| 29 | S | 51.9 | Low | 64.5 | Low | 50 Ų | 50 | 60.2 Ų | 60.2 | 35% | 0.35 | 33% | 0.325 | S | S | . | . | trans | -66.4 | 123.9 | 171.3 | 64.4 | 0 | 0 | 0 | 0 | 107.3 | V27 Q31 | V27-S29 PolarHBondContact O-N 3.11Å; S29-Q31 VanDerWaalsContact C-N 3.29Å; S29-Q31 PolarHBondContact O-N 2.88Å | ||
| 30 | A | 51.5 | Low | 65.5 | Low | 7 Ų | 7 | 63.3 Ų | 63.3 | 6% | 0.058 | 34% | 0.34 | C | S | . | . | trans | -68.5 | 95.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | V28 G32 R33 F37 | V28-A30 PolarHBondContact O-N 3.23Å; A30-G32 PolarHBondContact O-N 3.05Å; A30-R33 PolarHBondContact O-N 3.45Å; A30-F37 HydrophobicContact CB-CD2 3.98Å; A30-F37 HydrophobicContact CB-CE2 3.66Å | ||
| 31 | Q | 55.8 | Low | 66.6 | Low | 150 Ų | 150 | 66.8 Ų | 66.8 | 70% | 0.701 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 9.8 | 76.5 | 168 | -69.7 | 179.8 | -29.1 | 0 | 0 | 114.4 | S29 R33 | S29-Q31 VanDerWaalsContact C-N 3.29Å; S29-Q31 PolarHBondContact O-N 2.88Å; Q31-R33 PolarHBondContact O-N 3.29Å |
| 32 | G | 62.8 | Low | 67.5 | Low | 6 Ų | 6 | 61.2 Ų | 61.2 | 6% | 0.062 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 40.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | V16 A30 | V16-G32 WeakPolarHBondContact CG1-O 3.07Å; A30-G32 PolarHBondContact O-N 3.05Å |
| 33 | R | 75.4 | Confident | 68.5 | Low | 58 Ų | 58 | 61.4 Ų | 61.4 | 22% | 0.219 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -118.5 | 1.4 | 172.8 | -56.5 | -61.5 | 174.6 | -137.1 | 3.2 | 115 | A30 Q31 H35 F83 C84 | A30-R33 PolarHBondContact O-N 3.45Å; Q31-R33 PolarHBondContact O-N 3.29Å; R33-H35 VanDerWaalsContact C-N 3.31Å; R33-H35 PolarHBondContact O-N 2.83Å; R33-F83 HydrophobicContact CB-CD1 4.34Å; R33-F83 VanDerWaalsContact NH1-CE1 3.35Å; R33-C84 PolarHBondContact O-N 2.73Å |
| 34 | G | 75.8 | Confident | 69.9 | Low | 12 Ų | 12 | 66.3 Ų | 66.3 | 12% | 0.124 | 37% | 0.372 | C | S | . | . | trans | 72.8 | 12.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | C84 S86 | G34-C84 VanDerWaalsContact C-CB 3.49Å; G34-C84 WeakPolarHBondContact O-CB 3.44Å; G34-S86 PolarHBondContact O-OG 3.39Å | ||
| 35 | H | 81.9 | Confident | 71.7 | Confident | 8 Ų | 8 | 68.1 Ų | 68.1 | 4% | 0.037 | 38% | 0.382 | C | S | . | . | trans | -85.4 | 140.5 | 176.6 | -70 | -77.7 | 0 | 0 | 0 | 112 | R33 F37 C65 C68 F70 S82 C84 | R33-H35 VanDerWaalsContact C-N 3.31Å; R33-H35 PolarHBondContact O-N 2.83Å; H35-F37 HydrophobicContact CB-CD2 3.54Å; H35-F37 HydrophobicContact CB-CE1 4.48Å; H35-F37 HydrophobicContact CB-CE2 3.23Å; H35-F37 HydrophobicContact CB-CG 4.3Å; H35-F37 HydrophobicContact CB-CZ 3.76Å; H35-F37 AromaticContact CD2-CE2 3.96Å; H35-F37 AromaticContact CG-CE2 3.64Å; H35-F37 AromaticContact CG-CZ 3.75Å; H35-C65 HydrophobicContact CB-CB 4.25Å; H35-C65 PolarHBondContact ND1-SG 2.84Å; H35-C65 VanDerWaalsContact ND1-SG 3.42Å; H35-C68 VanDerWaalsContact CE1-SG 3.56Å; H35-F70 AromaticContact CE1-CG 3.88Å; H35-S82 PolarHBondContact NE2-O 3.14Å; H35-C84 PolarHBondContact NE2-N 2.98Å | ||
| 36 | F | 79 | Confident | 73.6 | Confident | 61 Ų | 61 | 67 Ų | 67 | 27% | 0.268 | 37% | 0.366 | S | S | . | . | trans | -105.7 | 86.9 | 173.4 | -169 | -101.5 | 0 | 0 | 0 | 110.6 | V27 V38 C65 E66 | V27-F36 HydrophobicContact CB-CE2 4.06Å; V27-F36 HydrophobicContact CB-CZ 4.3Å; V27-F36 HydrophobicContact CG1-CD2 4.47Å; V27-F36 HydrophobicContact CG1-CE2 4.37Å; V27-F36 HydrophobicContact CG2-CE1 4.32Å; V27-F36 HydrophobicContact CG2-CE2 3.87Å; V27-F36 HydrophobicContact CG2-CZ 3.64Å; F36-V38 HydrophobicContact CD1-CG1 4.25Å; F36-V38 HydrophobicContact CE1-CG1 3.98Å; F36-V38 PolarHBondContact O-N 2.83Å; F36-C65 PolarHBondContact N-SG 2.91Å; F36-C65 VanDerWaalsContact O-CA 3.28Å; F36-C65 WeakPolarHBondContact O-CA 3.27Å; F36-E66 HydrophobicContact CD1-CB 4.28Å; F36-E66 HydrophobicContact CD1-CG 4.18Å; F36-E66 WeakPolarHBondContact CD1-OE2 3.44Å; F36-E66 WeakPolarHBondContact CE1-OE2 3.33Å; F36-E66 PolarHBondContact O-N 3.15Å; F36-E66 VanDerWaalsContact O-N 3.1Å | ||
| 37 | F | 85.9 | Confident | 75.6 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 104.3 | -167.3 | -82.8 | -63.8 | 0 | 0 | 0 | 114.4 | V27 A30 H35 Y63 I64 C65 F70 L77 V80 | V27-F37 VanDerWaalsContact CG1-C 3.45Å; V27-F37 WeakPolarHBondContact CG1-O 3.34Å; A30-F37 HydrophobicContact CB-CD2 3.98Å; A30-F37 HydrophobicContact CB-CE2 3.66Å; H35-F37 HydrophobicContact CB-CD2 3.54Å; H35-F37 HydrophobicContact CB-CE1 4.48Å; H35-F37 HydrophobicContact CB-CE2 3.23Å; H35-F37 HydrophobicContact CB-CG 4.3Å; H35-F37 HydrophobicContact CB-CZ 3.76Å; H35-F37 AromaticContact CD2-CE2 3.96Å; H35-F37 AromaticContact CG-CE2 3.64Å; H35-F37 AromaticContact CG-CZ 3.75Å; F37-Y63 HydrophobicContact CB-CD1 4.03Å; F37-I64 CarbonylContact C-O 3.53Å; F37-I64 WeakPolarHBondContact CA-O 3.38Å; F37-C65 HydrophobicContact CD1-CB 4.2Å; F37-C65 HydrophobicContact CE1-CB 4.05Å; F37-F70 HydrophobicContact CE1-CB 4.42Å; F37-F70 AromaticContact CE1-CD1 3.79Å; F37-F70 HydrophobicContact CE1-CD1 3.79Å; F37-F70 WeakPolarHBondContact CE1-O 3.15Å; F37-F70 AromaticContact CZ-CD1 3.64Å; F37-F70 HydrophobicContact CZ-CD1 3.64Å; F37-F70 HydrophobicContact CZ-CE1 4.26Å; F37-F70 HydrophobicContact CZ-CG 4.38Å; F37-L77 HydrophobicContact CB-CD1 3.99Å; F37-L77 HydrophobicContact CD1-CD1 4.03Å; F37-L77 HydrophobicContact CD2-CD1 3.32Å; F37-L77 HydrophobicContact CE1-CD1 4.33Å; F37-L77 HydrophobicContact CE2-CD1 3.66Å; F37-L77 HydrophobicContact CG-CD1 3.52Å; F37-L77 HydrophobicContact CZ-CD1 4.17Å; F37-V80 HydrophobicContact CZ-CG2 4.39Å |
| 38 | V | 86 | Confident | 77.6 | Confident | 34 Ų | 34 | 58.5 Ų | 58.5 | 21% | 0.206 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 143.3 | 171.6 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | F36 Y63 I64 E66 | F36-V38 HydrophobicContact CD1-CG1 4.25Å; F36-V38 HydrophobicContact CE1-CG1 3.98Å; F36-V38 PolarHBondContact O-N 2.83Å; V38-Y63 CarbonylContact O-C 3.58Å; V38-Y63 WeakPolarHBondContact O-CA 3.47Å; V38-I64 HydrophobicContact CG2-CG2 3.66Å; V38-I64 PolarHBondContact N-O 2.84Å; V38-I64 PolarHBondContact O-N 2.87Å; V38-E66 HydrophobicContact CB-CG 4.35Å; V38-E66 HydrophobicContact CG1-CG 3.86Å; V38-E66 HydrophobicContact CG2-CG 3.56Å |
| 39 | R | 88.7 | Confident | 79.4 | Confident | 129 Ų | 129 | 55.7 Ų | 55.7 | 49% | 0.487 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 131.7 | 174.7 | -169.8 | 175.2 | -80.3 | -163.9 | -7.3 | 109 | Y63 E74 | R39-Y63 HydrophobicContact CB-CD1 4.4Å; R39-Y63 HydrophobicContact CB-CE1 4.12Å; R39-Y63 PolarHBondContact NE-OH 2.8Å; R39-Y63 PolarHBondContact NH2-OH 3.14Å; R39-E74 IonicContact NH2-OE1 2.83Å; R39-E74 PolarHBondContact NH2-OE1 2.87Å |
| 40 | K | 85.6 | Confident | 81.1 | Confident | 100 Ų | 100 | 53.9 Ų | 53.9 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 144.2 | -174.8 | -172.8 | 164.9 | -173.8 | 164.4 | 0 | 112.9 | F42 G62 I64 | K40-F42 HydrophobicContact CB-CE1 4.48Å; K40-F42 HydrophobicContact CB-CE2 4.28Å; K40-F42 HydrophobicContact CB-CZ 4.05Å; K40-F42 HydrophobicContact CD-CE1 4.08Å; K40-F42 HydrophobicContact CD-CZ 4.44Å; K40-F42 HydrophobicContact CG-CE1 4.25Å; K40-F42 HydrophobicContact CG-CZ 4.3Å; K40-G62 PolarHBondContact N-O 2.83Å; K40-I64 HydrophobicContact CB-CG2 3.82Å; K40-I64 HydrophobicContact CD-CG2 3.6Å; K40-I64 HydrophobicContact CG-CG2 4.35Å |
| 41 | N | 85.6 | Confident | 82.8 | Confident | 86 Ų | 86 | 55.6 Ų | 55.6 | 46% | 0.46 | 30% | 0.296 | S | S | . | . | trans | -93.5 | 126.4 | 168.3 | -61.5 | -12.6 | 0 | 0 | 0 | 108.8 | S60 | N41-S60 WeakPolarHBondContact OD1-CA 3.29Å; N41-S60 PolarHBondContact OD1-N 3.35Å | ||
| 42 | F | 85.5 | Confident | 84.2 | Confident | 25 Ų | 25 | 49.8 Ų | 49.8 | 11% | 0.11 | 27% | 0.272 | C | S | . | . | trans | -101.6 | 114.5 | 179.7 | -55.3 | -90 | 0 | 0 | 0 | 109.9 | K40 K44 T46 L55 Q61 I64 V71 | K40-F42 HydrophobicContact CB-CE1 4.48Å; K40-F42 HydrophobicContact CB-CE2 4.28Å; K40-F42 HydrophobicContact CB-CZ 4.05Å; K40-F42 HydrophobicContact CD-CE1 4.08Å; K40-F42 HydrophobicContact CD-CZ 4.44Å; K40-F42 HydrophobicContact CG-CE1 4.25Å; K40-F42 HydrophobicContact CG-CZ 4.3Å; F42-K44 PolarHBondContact O-N 2.74Å; F42-K44 VanDerWaalsContact O-N 3.15Å; F42-T46 WeakPolarHBondContact CB-OG1 3.33Å; F42-T46 HydrophobicContact CD1-CG2 3.89Å; F42-T46 HydrophobicContact CE1-CG2 4.1Å; F42-T46 HydrophobicContact CG-CG2 4.21Å; F42-L55 HydrophobicContact CD2-CD2 4.18Å; F42-L55 HydrophobicContact CE2-CD2 3.76Å; F42-Q61 VanDerWaalsContact CB-OE1 3.27Å; F42-Q61 HydrophobicContact CD2-CB 4.2Å; F42-Q61 PolarHBondContact O-OE1 3.38Å; F42-Q61 VanDerWaalsContact O-OE1 3.05Å; F42-I64 HydrophobicContact CE1-CB 4.47Å; F42-I64 HydrophobicContact CE1-CD1 4.35Å; F42-I64 HydrophobicContact CZ-CB 4.17Å; F42-V71 HydrophobicContact CE1-CG1 4.08Å; F42-V71 HydrophobicContact CE1-CG2 3.92Å; F42-V71 HydrophobicContact CE2-CG1 3.99Å; F42-V71 HydrophobicContact CZ-CB 4.41Å; F42-V71 HydrophobicContact CZ-CG1 3.51Å; F42-V71 HydrophobicContact CZ-CG2 4.01Å | ||
| 43 | G | 83 | Confident | 85.3 | Confident | 95 Ų | 95 | 55.5 Ų | 55.5 | 98% | 0.979 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -71.7 | 0.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 44 | K | 85.5 | Confident | 86 | Confident | 159 Ų | 159 | 56.1 Ų | 56.1 | 69% | 0.691 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -138.9 | 153 | 178.8 | 63.6 | -178.1 | 179.3 | -178.6 | 0 | 110.6 | F42 T46 | F42-K44 PolarHBondContact O-N 2.74Å; F42-K44 VanDerWaalsContact O-N 3.15Å; K44-T46 PolarHBondContact O-N 3.45Å; K44-T46 PolarHBondContact O-OG1 2.87Å |
| 45 | P | 87.7 | Confident | 86.7 | Confident | 109 Ų | 109 | 55.8 Ų | 55.8 | 71% | 0.708 | 30% | 0.3 | S | S | * | . | trans | -50.2 | 115.7 | 175.4 | -27.1 | 35.6 | 0 | 0 | 0 | 111 | L54 | P45-L54 HydrophobicContact CB-CD1 3.83Š| ||
| 46 | T | 89.8 | Confident | 86.6 | Confident | 21 Ų | 21 | 66 Ų | 66 | 13% | 0.129 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.8 | -175.7 | -58.8 | 0 | 0 | 0 | 0 | 108.8 | F42 K44 L55 V71 | F42-T46 WeakPolarHBondContact CB-OG1 3.33Å; F42-T46 HydrophobicContact CD1-CG2 3.89Å; F42-T46 HydrophobicContact CE1-CG2 4.1Å; F42-T46 HydrophobicContact CG-CG2 4.21Å; K44-T46 PolarHBondContact O-N 3.45Å; K44-T46 PolarHBondContact O-OG1 2.87Å; T46-L55 HydrophobicContact CG2-CD1 4.47Å; T46-L55 WeakPolarHBondContact O-CB 3.4Å; T46-L55 WeakPolarHBondContact O-CD1 3.39Å; T46-L55 PolarHBondContact O-N 3.45Å; T46-V71 HydrophobicContact CG2-CB 4.35Å; T46-V71 HydrophobicContact CG2-CG1 3.87Å; T46-V71 HydrophobicContact CG2-CG2 4.26Å |
| 47 | H | 90.9 | Very high | 86.4 | Confident | 44 Ų | 44 | 64.3 Ų | 64.3 | 20% | 0.204 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 147.3 | -175.9 | -65.3 | 78.4 | 0 | 0 | 0 | 111.6 | H49 C52 E188 | H47-H49 PolarHBondContact O-N 2.83Å; H47-C52 PolarHBondContact CD2-O 2.86Å; H47-E188 HydrophobicContact CB-CB 4.22Å; H47-E188 WeakPolarHBondContact ND1-CB 3.42Å |
| 48 | C | 90.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 38% | 0.379 | C | S | . | . | trans | -76.6 | 121.2 | 179.2 | 176.3 | 0 | 0 | 0 | 0 | 109.2 | R50 C51 C52 E53 L55 C72 H73 | C48-R50 PolarHBondContact O-N 2.89Å; C48-R50 VanDerWaalsContact O-N 3.11Å; C48-R50 PolarHBondContact SG-N 2.85Å; C48-R50 VanDerWaalsContact SG-N 3.44Å; C48-C51 VanDerWaalsContact CB-SG 3.57Å; C48-C51 PolarHBondContact SG-N 2.84Å; C48-C51 PolarHBondContact SG-SG 3.16Å; C48-C52 WeakPolarHBondContact O-CA 3.47Å; C48-C52 PolarHBondContact O-N 3.3Å; C48-E53 WeakPolarHBondContact CB-O 3.25Å; C48-E53 PolarHBondContact N-O 3.45Å; C48-L55 HydrophobicContact CB-CD1 3.84Å; C48-C72 VanDerWaalsContact SG-CA 3.5Å; C48-H73 WeakPolarHBondContact CB-CE1 3.23Å; C48-H73 WeakPolarHBondContact CB-ND1 3.37Å; C48-H73 PolarHBondContact SG-ND1 3.14Å; C48-H73 VanDerWaalsContact SG-ND1 3.41Å | ||
| 49 | H | 89 | Confident | 85 | Confident | 14 Ų | 14 | 77 Ų | 77 | 7% | 0.065 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -15.4 | 176.7 | -64.5 | 81.7 | 0 | 0 | 0 | 112.4 | H47 F70 V71 | H47-H49 PolarHBondContact O-N 2.83Å; H49-F70 HydrophobicContact CB-CD1 4.34Å; H49-F70 HydrophobicContact CB-CD2 3.95Å; H49-F70 HydrophobicContact CB-CE1 4.05Å; H49-F70 HydrophobicContact CB-CE2 3.58Å; H49-F70 HydrophobicContact CB-CG 4.31Å; H49-F70 HydrophobicContact CB-CZ 3.64Å; H49-V71 WeakPolarHBondContact CB-O 3.43Å; H49-V71 PolarHBondContact N-O 2.85Å; H49-V71 WeakPolarHBondContact ND1-CB 3.28Å; H49-V71 PolarHBondContact ND1-N 3.12Å; H49-V71 PolarHBondContact ND1-O 2.78Å; H49-V71 VanDerWaalsContact ND1-O 3.11Å |
| 50 | R | 87.4 | Confident | 83.9 | Confident | 12 Ų | 12 | 73.4 Ų | 73.4 | 5% | 0.045 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -50.9 | 179.1 | -175.1 | 54.3 | 174.9 | 173.5 | 0.3 | 113.4 | C48 F70 C72 C76 T79 V80 T81 | C48-R50 PolarHBondContact O-N 2.89Å; C48-R50 VanDerWaalsContact O-N 3.11Å; C48-R50 PolarHBondContact SG-N 2.85Å; C48-R50 VanDerWaalsContact SG-N 3.44Å; R50-F70 HydrophobicContact CB-CE1 4.45Å; R50-F70 HydrophobicContact CB-CZ 4.29Å; R50-C72 HydrophobicContact CB-CB 4.32Å; R50-C76 HydrophobicContact CB-CB 3.99Å; R50-C76 HydrophobicContact CG-CB 3.96Å; R50-T79 PolarHBondContact NE-O 2.85Å; R50-T79 PolarHBondContact NH2-O 2.79Å; R50-V80 HydrophobicContact CG-CG2 4.5Å; R50-T81 VanDerWaalsContact CZ-OG1 3.3Å; R50-T81 PolarHBondContact NH1-OG1 2.85Å; R50-T81 PolarHBondContact NH2-OG1 2.91Å |
| 51 | C | 86.5 | Confident | 83.7 | Confident | 43 Ų | 43 | 70.8 Ų | 70.8 | 29% | 0.291 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -3.6 | -175.7 | 67.1 | 0 | 0 | 0 | 0 | 114 | C48 E53 H73 | C48-C51 VanDerWaalsContact CB-SG 3.57Å; C48-C51 PolarHBondContact SG-N 2.84Å; C48-C51 PolarHBondContact SG-SG 3.16Å; C51-E53 PolarHBondContact O-N 3.34Å; C51-E53 VanDerWaalsContact O-N 3.14Å; C51-H73 PolarHBondContact SG-CE1 3.17Å; C51-H73 PolarHBondContact SG-ND1 2.9Å |
| 52 | C | 85.4 | Confident | 83.8 | Confident | 28 Ų | 28 | 66.7 Ų | 66.7 | 19% | 0.189 | 36% | 0.364 | C | S | . | . | trans | 66.2 | -0 | -178.4 | -48.1 | 0 | 0 | 0 | 0 | 115.5 | H47 C48 A191 | H47-C52 PolarHBondContact CD2-O 2.86Å; C48-C52 WeakPolarHBondContact O-CA 3.47Å; C48-C52 PolarHBondContact O-N 3.3Å; C52-A191 WeakPolarHBondContact SG-CB 3.2Å | ||
| 53 | E | 87.5 | Confident | 84.1 | Confident | 127 Ų | 127 | 66.3 Ų | 66.3 | 59% | 0.593 | 36% | 0.362 | S | S | * | . | trans | -80.6 | 153.2 | 177.9 | -59.8 | -60.8 | 154.6 | 0 | 0 | 111.9 | C48 C51 H73 | C48-E53 WeakPolarHBondContact CB-O 3.25Å; C48-E53 PolarHBondContact N-O 3.45Å; C51-E53 PolarHBondContact O-N 3.34Å; C51-E53 VanDerWaalsContact O-N 3.14Å; E53-H73 PolarHBondContact O-CE1 3.24Å | ||
| 54 | L | 89.8 | Confident | 84.5 | Confident | 70 Ų | 70 | 62.6 Ų | 62.6 | 37% | 0.366 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 137.9 | 177.6 | -172.9 | 69.3 | 0 | 0 | 0 | 111.2 | P45 W56 H73 | P45-L54 HydrophobicContact CB-CD1 3.83Å; L54-W56 PolarHBondContact O-N 2.84Å; L54-H73 PolarHBondContact O-NE2 3.07Å |
| 55 | L | 88.8 | Confident | 84.6 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 108.6 | 165.1 | -70.9 | 86.2 | 0 | 0 | 0 | 107.7 | F42 T46 C48 Q61 V71 | F42-L55 HydrophobicContact CD2-CD2 4.18Å; F42-L55 HydrophobicContact CE2-CD2 3.76Å; T46-L55 HydrophobicContact CG2-CD1 4.47Å; T46-L55 WeakPolarHBondContact O-CB 3.4Å; T46-L55 WeakPolarHBondContact O-CD1 3.39Å; T46-L55 PolarHBondContact O-N 3.45Å; C48-L55 HydrophobicContact CB-CD1 3.84Å; L55-Q61 HydrophobicContact CB-CB 4.29Å; L55-V71 HydrophobicContact CD1-CG1 3.85Å; L55-V71 HydrophobicContact CD2-CG1 3.68Å; L55-V71 HydrophobicContact CG-CG1 4.48Å |
| 56 | W | 80.6 | Confident | 84.3 | Confident | 224 Ų | 224 | 54.9 Ų | 54.9 | 85% | 0.848 | 28% | 0.277 | S | S | * | . | trans | -122.8 | 139.6 | -177.7 | -174.3 | 81.6 | 0 | 0 | 0 | 111 | L54 | L54-W56 PolarHBondContact O-N 2.84Š| ||
| 57 | G | 74.6 | Confident | 83.9 | Confident | 25 Ų | 25 | 56.2 Ų | 56.2 | 26% | 0.258 | 29% | 0.285 | S | S | . | . | trans | 151.7 | 161.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q61 | G57-Q61 WeakPolarHBondContact O-CG 3.35Å; G57-Q61 PolarHBondContact O-NE2 3.36Å | ||
| 58 | I | 69.1 | Low | 83.7 | Confident | 169 Ų | 169 | 54.1 Ų | 54.1 | 87% | 0.867 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -84.2 | -33.6 | -175 | -59.5 | 170.2 | 0 | 0 | 0 | 111.4 | ||
| 59 | L | 72.8 | Confident | 83.7 | Confident | 132 Ų | 132 | 56 Ų | 56 | 69% | 0.691 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -142.5 | 149.8 | 179.7 | -69.6 | 168.5 | 0 | 0 | 0 | 110.6 | Q61 | L59-Q61 PolarHBondContact O-N 2.85Š|
| 60 | S | 65.9 | Low | 83.8 | Confident | 54 Ų | 54 | 55.3 Ų | 55.3 | 38% | 0.378 | 28% | 0.282 | S | S | . | . | trans | 50.2 | 50.6 | 177.4 | -65 | 0 | 0 | 0 | 0 | 114.3 | N41 G62 | N41-S60 WeakPolarHBondContact OD1-CA 3.29Å; N41-S60 PolarHBondContact OD1-N 3.35Å; S60-G62 PolarHBondContact O-N 3.35Å; S60-G62 VanDerWaalsContact O-N 3.16Å | ||
| 61 | Q | 81.2 | Confident | 84 | Confident | 44 Ų | 44 | 55.1 Ų | 55.1 | 21% | 0.206 | 28% | 0.282 | C | S | . | . | trans | -61.6 | -26 | -171.6 | -68 | 168.1 | -26.2 | 0 | 0 | 114.3 | F42 L55 G57 L59 | F42-Q61 VanDerWaalsContact CB-OE1 3.27Å; F42-Q61 HydrophobicContact CD2-CB 4.2Å; F42-Q61 PolarHBondContact O-OE1 3.38Å; F42-Q61 VanDerWaalsContact O-OE1 3.05Å; L55-Q61 HydrophobicContact CB-CB 4.29Å; G57-Q61 WeakPolarHBondContact O-CG 3.35Å; G57-Q61 PolarHBondContact O-NE2 3.36Å; L59-Q61 PolarHBondContact O-N 2.85Å | ||
| 62 | G | 89.5 | Confident | 84.2 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.5 | -156.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K40 S60 | K40-G62 PolarHBondContact N-O 2.83Å; S60-G62 PolarHBondContact O-N 3.35Å; S60-G62 VanDerWaalsContact O-N 3.16Å |
| 63 | Y | 91.2 | Very high | 84.4 | Confident | 17 Ų | 17 | 52.7 Ų | 52.7 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 144.4 | -174.3 | -70.8 | -98.3 | 0 | 0 | 0 | 111.2 | F37 V38 R39 V71 C72 E74 L77 | F37-Y63 HydrophobicContact CB-CD1 4.03Å; V38-Y63 CarbonylContact O-C 3.58Å; V38-Y63 WeakPolarHBondContact O-CA 3.47Å; R39-Y63 HydrophobicContact CB-CD1 4.4Å; R39-Y63 HydrophobicContact CB-CE1 4.12Å; R39-Y63 PolarHBondContact NE-OH 2.8Å; R39-Y63 PolarHBondContact NH2-OH 3.14Å; Y63-V71 CarbonylContact O-C 3.59Å; Y63-V71 VanDerWaalsContact O-CA 3.31Å; Y63-V71 WeakPolarHBondContact O-CA 3.3Å; Y63-C72 PolarHBondContact N-O 3.15Å; Y63-C72 PolarHBondContact O-N 2.98Å; Y63-E74 HydrophobicContact CD2-CB 4.21Å; Y63-E74 HydrophobicContact CE2-CB 3.76Å; Y63-E74 HydrophobicContact CE2-CG 3.81Å; Y63-L77 HydrophobicContact CD1-CD2 4.3Å; Y63-L77 HydrophobicContact CD2-CD2 4.23Å; Y63-L77 HydrophobicContact CE1-CD2 4.23Å; Y63-L77 HydrophobicContact CE2-CD2 4.19Å; Y63-L77 HydrophobicContact CG-CD1 4.28Å; Y63-L77 HydrophobicContact CG-CD2 4.29Å |
| 64 | I | 90.5 | Very high | 84.4 | Confident | 16 Ų | 16 | 51.9 Ų | 51.9 | 8% | 0.082 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 136.7 | 172 | -173 | 167.2 | 0 | 0 | 0 | 110.3 | F37 V38 K40 F42 N69 F70 V71 | F37-I64 CarbonylContact C-O 3.53Å; F37-I64 WeakPolarHBondContact CA-O 3.38Å; V38-I64 HydrophobicContact CG2-CG2 3.66Å; V38-I64 PolarHBondContact N-O 2.84Å; V38-I64 PolarHBondContact O-N 2.87Å; K40-I64 HydrophobicContact CB-CG2 3.82Å; K40-I64 HydrophobicContact CD-CG2 3.6Å; K40-I64 HydrophobicContact CG-CG2 4.35Å; F42-I64 HydrophobicContact CE1-CB 4.47Å; F42-I64 HydrophobicContact CE1-CD1 4.35Å; F42-I64 HydrophobicContact CZ-CB 4.17Å; I64-N69 HydrophobicContact CD1-CB 4.29Å; I64-F70 CarbonylContact C-O 3.35Å; I64-F70 VanDerWaalsContact CA-O 3.3Å; I64-F70 WeakPolarHBondContact CA-O 3.31Å; I64-V71 HydrophobicContact CB-CG2 4.17Å; I64-V71 HydrophobicContact CD1-CG2 3.88Å; I64-V71 HydrophobicContact CG1-CG2 3.83Å |
| 65 | C | 87.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 119.1 | 168.5 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | H35 F36 F37 T67 C68 N69 F70 | H35-C65 HydrophobicContact CB-CB 4.25Å; H35-C65 PolarHBondContact ND1-SG 2.84Å; H35-C65 VanDerWaalsContact ND1-SG 3.42Å; F36-C65 PolarHBondContact N-SG 2.91Å; F36-C65 VanDerWaalsContact O-CA 3.28Å; F36-C65 WeakPolarHBondContact O-CA 3.27Å; F37-C65 HydrophobicContact CD1-CB 4.2Å; F37-C65 HydrophobicContact CE1-CB 4.05Å; C65-T67 PolarHBondContact O-N 2.83Å; C65-C68 VanDerWaalsContact SG-SG 3.69Å; C65-N69 WeakPolarHBondContact O-CA 3.38Å; C65-N69 PolarHBondContact O-N 2.9Å; C65-F70 HydrophobicContact CB-CB 3.92Å; C65-F70 PolarHBondContact N-O 3.24Å |
| 66 | E | 82.8 | Confident | 84.3 | Confident | 106 Ų | 106 | 56.7 Ų | 56.7 | 50% | 0.495 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -23.7 | -178.8 | -64.2 | -166.6 | 140.6 | 0 | 0 | 113.1 | F36 V38 | F36-E66 HydrophobicContact CD1-CB 4.28Å; F36-E66 HydrophobicContact CD1-CG 4.18Å; F36-E66 WeakPolarHBondContact CD1-OE2 3.44Å; F36-E66 WeakPolarHBondContact CE1-OE2 3.33Å; F36-E66 PolarHBondContact O-N 3.15Å; F36-E66 VanDerWaalsContact O-N 3.1Å; V38-E66 HydrophobicContact CB-CG 4.35Å; V38-E66 HydrophobicContact CG1-CG 3.86Å; V38-E66 HydrophobicContact CG2-CG 3.56Å |
| 67 | T | 79.4 | Confident | 84.6 | Confident | 49 Ų | 49 | 46.4 Ų | 46.4 | 30% | 0.301 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -56.1 | -178.3 | -46.2 | 0 | 0 | 0 | 0 | 112.7 | C65 | C65-T67 PolarHBondContact O-N 2.83Š|
| 68 | C | 87.2 | Confident | 84.9 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 2.5 | -173.1 | 72.4 | 0 | 0 | 0 | 0 | 114 | H35 C65 F70 C84 S85 C114 R115 | H35-C68 VanDerWaalsContact CE1-SG 3.56Å; C65-C68 VanDerWaalsContact SG-SG 3.69Å; C68-F70 PolarHBondContact O-N 2.91Å; C68-C84 VanDerWaalsContact SG-SG 3.67Å; C68-S85 WeakPolarHBondContact CB-OG 3.37Å; C68-C114 CarbonylContact O-C 3.51Å; C68-C114 VanDerWaalsContact O-C 3.23Å; C68-R115 WeakPolarHBondContact O-CB 3.31Å; C68-R115 WeakPolarHBondContact O-CD 3.27Å; C68-R115 VanDerWaalsContact O-CG 3.27Å; C68-R115 WeakPolarHBondContact O-CG 3.35Å |
| 69 | N | 90.8 | Very high | 85.5 | Confident | 39 Ų | 39 | 48.6 Ų | 48.6 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | trans | 58.5 | 26.2 | -174.5 | -50.8 | -80 | 0 | 0 | 0 | 114.4 | I64 C65 V71 C114 K116 | I64-N69 HydrophobicContact CD1-CB 4.29Å; C65-N69 WeakPolarHBondContact O-CA 3.38Å; C65-N69 PolarHBondContact O-N 2.9Å; N69-V71 PolarHBondContact O-N 2.94Å; N69-C114 WeakPolarHBondContact CB-O 3.34Å; N69-C114 PolarHBondContact ND2-O 2.89Å; N69-K116 WeakPolarHBondContact ND2-CE 3.38Å | ||
| 70 | F | 90.9 | Very high | 86 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -63.6 | 118.9 | 171.1 | -168.4 | -80.7 | 0 | 0 | 0 | 109.7 | H35 F37 H49 R50 I64 C65 C68 C72 V80 | H35-F70 AromaticContact CE1-CG 3.88Å; F37-F70 HydrophobicContact CE1-CB 4.42Å; F37-F70 AromaticContact CE1-CD1 3.79Å; F37-F70 HydrophobicContact CE1-CD1 3.79Å; F37-F70 WeakPolarHBondContact CE1-O 3.15Å; F37-F70 AromaticContact CZ-CD1 3.64Å; F37-F70 HydrophobicContact CZ-CD1 3.64Å; F37-F70 HydrophobicContact CZ-CE1 4.26Å; F37-F70 HydrophobicContact CZ-CG 4.38Å; H49-F70 HydrophobicContact CB-CD1 4.34Å; H49-F70 HydrophobicContact CB-CD2 3.95Å; H49-F70 HydrophobicContact CB-CE1 4.05Å; H49-F70 HydrophobicContact CB-CE2 3.58Å; H49-F70 HydrophobicContact CB-CG 4.31Å; H49-F70 HydrophobicContact CB-CZ 3.64Å; R50-F70 HydrophobicContact CB-CE1 4.45Å; R50-F70 HydrophobicContact CB-CZ 4.29Å; I64-F70 CarbonylContact C-O 3.35Å; I64-F70 VanDerWaalsContact CA-O 3.3Å; I64-F70 WeakPolarHBondContact CA-O 3.31Å; C65-F70 HydrophobicContact CB-CB 3.92Å; C65-F70 PolarHBondContact N-O 3.24Å; C68-F70 PolarHBondContact O-N 2.91Å; F70-C72 HydrophobicContact CD1-CB 4.31Å; F70-C72 HydrophobicContact CE1-CB 3.86Å; F70-V80 HydrophobicContact CE1-CG1 3.94Å; F70-V80 HydrophobicContact CE1-CG2 3.83Å; F70-V80 HydrophobicContact CZ-CG1 3.92Å; F70-V80 HydrophobicContact CZ-CG2 4.35Å | ||
| 71 | V | 91.4 | Very high | 86.6 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 134 | 178.1 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | F42 T46 H49 L55 Y63 I64 N69 | F42-V71 HydrophobicContact CE1-CG1 4.08Å; F42-V71 HydrophobicContact CE1-CG2 3.92Å; F42-V71 HydrophobicContact CE2-CG1 3.99Å; F42-V71 HydrophobicContact CZ-CB 4.41Å; F42-V71 HydrophobicContact CZ-CG1 3.51Å; F42-V71 HydrophobicContact CZ-CG2 4.01Å; T46-V71 HydrophobicContact CG2-CB 4.35Å; T46-V71 HydrophobicContact CG2-CG1 3.87Å; T46-V71 HydrophobicContact CG2-CG2 4.26Å; H49-V71 WeakPolarHBondContact CB-O 3.43Å; H49-V71 PolarHBondContact N-O 2.85Å; H49-V71 WeakPolarHBondContact ND1-CB 3.28Å; H49-V71 PolarHBondContact ND1-N 3.12Å; H49-V71 PolarHBondContact ND1-O 2.78Å; H49-V71 VanDerWaalsContact ND1-O 3.11Å; L55-V71 HydrophobicContact CD1-CG1 3.85Å; L55-V71 HydrophobicContact CD2-CG1 3.68Å; L55-V71 HydrophobicContact CG-CG1 4.48Å; Y63-V71 CarbonylContact O-C 3.59Å; Y63-V71 VanDerWaalsContact O-CA 3.31Å; Y63-V71 WeakPolarHBondContact O-CA 3.3Å; I64-V71 HydrophobicContact CB-CG2 4.17Å; I64-V71 HydrophobicContact CD1-CG2 3.88Å; I64-V71 HydrophobicContact CG1-CG2 3.83Å; N69-V71 PolarHBondContact O-N 2.94Å |
| 72 | C | 90.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 161.5 | 171.7 | 67.7 | 0 | 0 | 0 | 0 | 114.1 | C48 R50 Y63 F70 C76 | C48-C72 VanDerWaalsContact SG-CA 3.5Å; R50-C72 HydrophobicContact CB-CB 4.32Å; Y63-C72 PolarHBondContact N-O 3.15Å; Y63-C72 PolarHBondContact O-N 2.98Å; F70-C72 HydrophobicContact CD1-CB 4.31Å; F70-C72 HydrophobicContact CE1-CB 3.86Å; C72-C76 HydrophobicContact CB-CB 4.09Å |
| 73 | H | 90.3 | Very high | 86.3 | Confident | 21 Ų | 21 | 41.7 Ų | 41.7 | 10% | 0.097 | 21% | 0.205 | C | C | . | . | trans | -67.1 | 155 | 169.7 | -55.7 | 103.4 | 0 | 0 | 0 | 111 | C48 C51 E53 L54 K75 C76 L77 | C48-H73 WeakPolarHBondContact CB-CE1 3.23Å; C48-H73 WeakPolarHBondContact CB-ND1 3.37Å; C48-H73 PolarHBondContact SG-ND1 3.14Å; C48-H73 VanDerWaalsContact SG-ND1 3.41Å; C51-H73 PolarHBondContact SG-CE1 3.17Å; C51-H73 PolarHBondContact SG-ND1 2.9Å; E53-H73 PolarHBondContact O-CE1 3.24Å; L54-H73 PolarHBondContact O-NE2 3.07Å; H73-K75 VanDerWaalsContact C-N 3.28Å; H73-K75 HydrophobicContact CB-CG 3.74Å; H73-K75 PolarHBondContact O-N 3.1Å; H73-C76 HydrophobicContact CB-CB 4.16Å; H73-C76 WeakPolarHBondContact O-CA 3.47Å; H73-C76 WeakPolarHBondContact O-CB 3.42Å; H73-C76 PolarHBondContact O-N 3.14Å; H73-L77 PolarHBondContact O-N 3.29Å; H73-L77 VanDerWaalsContact O-N 3.13Å | ||
| 74 | E | 87.7 | Confident | 85.9 | Confident | 109 Ų | 109 | 40.9 Ų | 40.9 | 51% | 0.509 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -52.2 | -45.7 | 169.6 | -176.3 | 163 | -154.3 | 0 | 0 | 112.2 | R39 Y63 C76 L77 | R39-E74 IonicContact NH2-OE1 2.83Å; R39-E74 PolarHBondContact NH2-OE1 2.87Å; Y63-E74 HydrophobicContact CD2-CB 4.21Å; Y63-E74 HydrophobicContact CE2-CB 3.76Å; Y63-E74 HydrophobicContact CE2-CG 3.81Å; E74-C76 PolarHBondContact O-N 2.9Å; E74-L77 VanDerWaalsContact O-CB 3.25Å; E74-L77 WeakPolarHBondContact O-CB 3.29Å; E74-L77 PolarHBondContact O-N 2.79Å |
| 75 | K | 87.8 | Confident | 85.4 | Confident | 165 Ų | 165 | 41.1 Ų | 41.1 | 72% | 0.717 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -61.9 | -26.9 | 175.1 | 65.5 | 179.2 | 178.4 | -176.7 | 0 | 114.1 | H73 | H73-K75 VanDerWaalsContact C-N 3.28Å; H73-K75 HydrophobicContact CB-CG 3.74Å; H73-K75 PolarHBondContact O-N 3.1Å |
| 76 | C | 88.8 | Confident | 84.8 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 7% | 0.074 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -86.2 | -20.7 | -177.9 | -71.1 | 0 | 0 | 0 | 0 | 112.5 | R50 C72 H73 E74 K78 T79 V80 | R50-C76 HydrophobicContact CB-CB 3.99Å; R50-C76 HydrophobicContact CG-CB 3.96Å; C72-C76 HydrophobicContact CB-CB 4.09Å; H73-C76 HydrophobicContact CB-CB 4.16Å; H73-C76 WeakPolarHBondContact O-CA 3.47Å; H73-C76 WeakPolarHBondContact O-CB 3.42Å; H73-C76 PolarHBondContact O-N 3.14Å; E74-C76 PolarHBondContact O-N 2.9Å; C76-K78 VanDerWaalsContact C-N 3.34Å; C76-K78 PolarHBondContact O-N 2.92Å; C76-T79 PolarHBondContact O-N 3.22Å; C76-T79 PolarHBondContact O-OG1 3.17Å; C76-V80 PolarHBondContact O-N 3.48Å |
| 77 | L | 86 | Confident | 84.6 | Confident | 9 Ų | 9 | 36.9 Ų | 36.9 | 5% | 0.047 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -51.7 | -47.8 | -171.6 | -169.3 | 65.2 | 0 | 0 | 0 | 113 | V28 F37 Y63 H73 E74 T79 V80 | V28-L77 HydrophobicContact CB-CD2 3.84Å; V28-L77 HydrophobicContact CG1-CD2 3.48Å; V28-L77 VanDerWaalsContact CG1-CD2 3.48Å; V28-L77 HydrophobicContact CG1-CG 4.28Å; V28-L77 HydrophobicContact CG2-CD2 4.48Å; F37-L77 HydrophobicContact CB-CD1 3.99Å; F37-L77 HydrophobicContact CD1-CD1 4.03Å; F37-L77 HydrophobicContact CD2-CD1 3.32Å; F37-L77 HydrophobicContact CE1-CD1 4.33Å; F37-L77 HydrophobicContact CE2-CD1 3.66Å; F37-L77 HydrophobicContact CG-CD1 3.52Å; F37-L77 HydrophobicContact CZ-CD1 4.17Å; Y63-L77 HydrophobicContact CD1-CD2 4.3Å; Y63-L77 HydrophobicContact CD2-CD2 4.23Å; Y63-L77 HydrophobicContact CE1-CD2 4.23Å; Y63-L77 HydrophobicContact CE2-CD2 4.19Å; Y63-L77 HydrophobicContact CG-CD1 4.28Å; Y63-L77 HydrophobicContact CG-CD2 4.29Å; H73-L77 PolarHBondContact O-N 3.29Å; H73-L77 VanDerWaalsContact O-N 3.13Å; E74-L77 VanDerWaalsContact O-CB 3.25Å; E74-L77 WeakPolarHBondContact O-CB 3.29Å; E74-L77 PolarHBondContact O-N 2.79Å; L77-T79 PolarHBondContact O-N 2.75Å; L77-V80 PolarHBondContact O-N 2.71Å |
| 78 | K | 81.2 | Confident | 84.7 | Confident | 171 Ų | 171 | 34.7 Ų | 34.7 | 74% | 0.743 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -14 | 179.4 | -63.2 | -173.6 | -179.9 | -177.1 | 0 | 114.3 | C76 | C76-K78 VanDerWaalsContact C-N 3.34Å; C76-K78 PolarHBondContact O-N 2.92Å |
| 79 | T | 82.2 | Confident | 84.3 | Confident | 68 Ų | 68 | 35.9 Ų | 35.9 | 42% | 0.417 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -2.9 | -176.6 | 68.4 | 0 | 0 | 0 | 0 | 112.9 | R50 C76 L77 T81 | R50-T79 PolarHBondContact NE-O 2.85Å; R50-T79 PolarHBondContact NH2-O 2.79Å; C76-T79 PolarHBondContact O-N 3.22Å; C76-T79 PolarHBondContact O-OG1 3.17Å; L77-T79 PolarHBondContact O-N 2.75Å; T79-T81 PolarHBondContact O-N 2.81Å |
| 80 | V | 82.9 | Confident | 83.7 | Confident | 8 Ų | 8 | 37 Ų | 37 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | trans | -58.5 | 123.1 | -176.6 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | F37 R50 F70 C76 L77 | F37-V80 HydrophobicContact CZ-CG2 4.39Å; R50-V80 HydrophobicContact CG-CG2 4.5Å; F70-V80 HydrophobicContact CE1-CG1 3.94Å; F70-V80 HydrophobicContact CE1-CG2 3.83Å; F70-V80 HydrophobicContact CZ-CG1 3.92Å; F70-V80 HydrophobicContact CZ-CG2 4.35Å; C76-V80 PolarHBondContact O-N 3.48Å; L77-V80 PolarHBondContact O-N 2.71Å | ||
| 81 | T | 78.1 | Confident | 83.1 | Confident | 43 Ų | 43 | 37.7 Ų | 37.7 | 26% | 0.264 | 19% | 0.187 | S | C | . | . | trans | -107 | -16.9 | 175.2 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | R50 T79 T204 | R50-T81 VanDerWaalsContact CZ-OG1 3.3Å; R50-T81 PolarHBondContact NH1-OG1 2.85Å; R50-T81 PolarHBondContact NH2-OG1 2.91Å; T79-T81 PolarHBondContact O-N 2.81Å; T81-T204 PolarHBondContact OG1-O 2.97Å | ||
| 82 | S | 80.7 | Confident | 82.5 | Confident | 13 Ų | 13 | 38 Ų | 38 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -71.1 | 132 | 174.6 | -54.2 | 0 | 0 | 0 | 0 | 109.5 | H35 E168 | H35-S82 PolarHBondContact NE2-O 3.14Å; S82-E168 PolarHBondContact OG-OE1 2.79Å; S82-E168 VanDerWaalsContact OG-OE1 3.08Å |
| 83 | F | 82.8 | Confident | 82 | Confident | 23 Ų | 23 | 40.3 Ų | 40.3 | 10% | 0.101 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -79.5 | 153.2 | 174.2 | -66.8 | -86.4 | 0 | 0 | 0 | 111.7 | M1 L8 V16 R33 V87 L91 | M1-F83 HydrophobicContact CE-CB 3.27Å; M1-F83 HydrophobicContact CE-CD1 4.48Å; M1-F83 HydrophobicContact CE-CD2 3.37Å; M1-F83 HydrophobicContact CE-CE2 4.37Å; M1-F83 HydrophobicContact CE-CG 3.46Å; M1-F83 VanDerWaalsContact CE-CG 3.46Å; L8-F83 HydrophobicContact CD1-CE1 3.5Å; L8-F83 VanDerWaalsContact CD1-CE1 3.5Å; L8-F83 HydrophobicContact CD1-CE2 4.16Å; L8-F83 HydrophobicContact CD1-CZ 3.18Å; L8-F83 HydrophobicContact CD2-CZ 4.28Å; L8-F83 HydrophobicContact CG-CE1 4.42Å; L8-F83 HydrophobicContact CG-CE2 4.23Å; L8-F83 HydrophobicContact CG-CZ 3.65Å; V16-F83 HydrophobicContact CG1-CE1 4.5Å; V16-F83 HydrophobicContact CG2-CE1 4.31Å; R33-F83 HydrophobicContact CB-CD1 4.34Å; R33-F83 VanDerWaalsContact NH1-CE1 3.35Å; F83-V87 HydrophobicContact CB-CG2 4.09Å; F83-V87 HydrophobicContact CD1-CG2 4.22Å; F83-L91 HydrophobicContact CB-CD1 4.2Å; F83-L91 HydrophobicContact CD1-CD1 3.34Å; F83-L91 HydrophobicContact CD2-CD1 4.14Å; F83-L91 HydrophobicContact CE1-CD1 3.67Å; F83-L91 HydrophobicContact CE2-CD1 4.42Å; F83-L91 HydrophobicContact CG-CD1 3.62Å; F83-L91 HydrophobicContact CZ-CD1 4.22Å |
| 84 | C | 83.7 | Confident | 81.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 148.4 | 172.3 | -169 | 0 | 0 | 0 | 0 | 110.9 | R33 G34 H35 C68 S86 V87 A88 | R33-C84 PolarHBondContact O-N 2.73Å; G34-C84 VanDerWaalsContact C-CB 3.49Å; G34-C84 WeakPolarHBondContact O-CB 3.44Å; H35-C84 PolarHBondContact NE2-N 2.98Å; C68-C84 VanDerWaalsContact SG-SG 3.67Å; C84-S86 WeakPolarHBondContact CB-OG 3.46Å; C84-S86 PolarHBondContact O-N 2.75Å; C84-S86 VanDerWaalsContact O-N 3.16Å; C84-S86 PolarHBondContact SG-OG 3.03Å; C84-V87 HydrophobicContact CB-CG2 4.37Å; C84-V87 WeakPolarHBondContact O-CG2 2.97Å; C84-V87 PolarHBondContact O-N 3.08Å; C84-A88 VanDerWaalsContact O-CB 3.3Å; C84-A88 WeakPolarHBondContact O-CB 3.32Å; C84-A88 PolarHBondContact O-N 2.82Å |
| 85 | S | 81.2 | Confident | 81.3 | Confident | 20 Ų | 20 | 35.5 Ų | 35.5 | 14% | 0.14 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.2 | -26.1 | 174.8 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | C68 V87 V113 | C68-S85 WeakPolarHBondContact CB-OG 3.37Å; S85-V87 PolarHBondContact O-N 3.03Å; S85-V113 PolarHBondContact OG-O 3.27Å |
| 86 | S | 75.1 | Confident | 81.2 | Confident | 13 Ų | 13 | 28.6 Ų | 28.6 | 9% | 0.091 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.7 | -34.3 | 177.1 | 51.6 | 0 | 0 | 0 | 0 | 115 | Y19 G34 C84 F319 | Y19-S86 VanDerWaalsContact OH-CB 3.3Å; Y19-S86 WeakPolarHBondContact OH-CB 3.33Å; Y19-S86 PolarHBondContact OH-OG 3.25Å; G34-S86 PolarHBondContact O-OG 3.39Å; C84-S86 WeakPolarHBondContact CB-OG 3.46Å; C84-S86 PolarHBondContact O-N 2.75Å; C84-S86 VanDerWaalsContact O-N 3.16Å; C84-S86 PolarHBondContact SG-OG 3.03Å; S86-F319 VanDerWaalsContact CB-CE2 3.47Å |
| 87 | V | 78.3 | Confident | 81 | Confident | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.024 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -100.6 | -18.8 | 177.9 | -65 | 0 | 0 | 0 | 0 | 111.9 | Y19 F83 C84 S85 M89 Q90 L91 | Y19-V87 HydrophobicContact CD1-CG1 3.49Å; Y19-V87 VanDerWaalsContact CD1-CG1 3.49Å; Y19-V87 HydrophobicContact CD2-CG1 3.75Å; Y19-V87 HydrophobicContact CE1-CG1 3.27Å; Y19-V87 HydrophobicContact CE2-CG1 3.39Å; Y19-V87 HydrophobicContact CG-CG1 3.77Å; F83-V87 HydrophobicContact CB-CG2 4.09Å; F83-V87 HydrophobicContact CD1-CG2 4.22Å; C84-V87 HydrophobicContact CB-CG2 4.37Å; C84-V87 WeakPolarHBondContact O-CG2 2.97Å; C84-V87 PolarHBondContact O-N 3.08Å; S85-V87 PolarHBondContact O-N 3.03Å; V87-M89 VanDerWaalsContact C-N 3.33Å; V87-M89 PolarHBondContact O-N 2.94Å; V87-Q90 WeakPolarHBondContact O-CA 3.41Å; V87-Q90 WeakPolarHBondContact O-CB 3.44Å; V87-Q90 PolarHBondContact O-N 3.47Å; V87-L91 HydrophobicContact CG2-CD1 4.21Å; V87-L91 WeakPolarHBondContact O-CG 3.45Å; V87-L91 PolarHBondContact O-N 3.16Å |
| 88 | A | 81.3 | Confident | 81.2 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 3% | 0.025 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.6 | -43.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | M1 C84 Q90 L91 V142 | M1-A88 HydrophobicContact CE-CB 3.8Å; M1-A88 HydrophobicContact CG-CB 3.76Å; M1-A88 WeakPolarHBondContact SD-CA 3.43Å; M1-A88 HydrophobicContact SD-CB 3.37Å; M1-A88 WeakPolarHBondContact SD-CB 3.49Å; C84-A88 VanDerWaalsContact O-CB 3.3Å; C84-A88 WeakPolarHBondContact O-CB 3.32Å; C84-A88 PolarHBondContact O-N 2.82Å; A88-Q90 PolarHBondContact O-N 2.92Å; A88-L91 PolarHBondContact O-N 3.5Å; A88-V142 HydrophobicContact CB-CG2 3.63Å |
| 89 | M | 79.1 | Confident | 81.7 | Confident | 27 Ų | 27 | 20.7 Ų | 20.7 | 13% | 0.133 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -59.9 | -33 | 177.6 | -169.3 | 176.1 | -70.1 | 0 | 0 | 111.9 | V87 L91 L426 | V87-M89 VanDerWaalsContact C-N 3.33Å; V87-M89 PolarHBondContact O-N 2.94Å; M89-L91 VanDerWaalsContact C-N 3.26Å; M89-L91 PolarHBondContact O-N 3.32Å; M89-L426 HydrophobicContact CG-CB 4Å; M89-L426 HydrophobicContact CG-CD1 4.1Å; M89-L426 HydrophobicContact SD-CB 4.06Å |
| 90 | Q | 76.9 | Confident | 82.1 | Confident | 61 Ų | 61 | 19.4 Ų | 19.4 | 29% | 0.285 | 10% | 0.103 | S | C | . | . | G | 310 helix | trans | -77.2 | -9.8 | 179.1 | -62.7 | -60.1 | -14.5 | 0 | 0 | 114 | V87 A88 L457 R460 | V87-Q90 WeakPolarHBondContact O-CA 3.41Å; V87-Q90 WeakPolarHBondContact O-CB 3.44Å; V87-Q90 PolarHBondContact O-N 3.47Å; A88-Q90 PolarHBondContact O-N 2.92Å; Q90-L457 PolarHBondContact NE2-O 3.2Å; Q90-R460 PolarHBondContact O-NH2 3.01Å; Q90-R460 VanDerWaalsContact OE1-NH2 3.08Å |
| 91 | L | 79 | Confident | 82.4 | Confident | 16 Ų | 16 | 19.6 Ų | 19.6 | 8% | 0.084 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -101 | -2.8 | -177.3 | -60.4 | 171.8 | 0 | 0 | 0 | 113.8 | M1 L8 L12 V16 F83 V87 A88 M89 K93 | M1-L91 HydrophobicContact CE-CB 4.07Å; M1-L91 HydrophobicContact CE-CD1 3.65Å; M1-L91 HydrophobicContact CE-CG 4.46Å; M1-L91 HydrophobicContact SD-CB 4.32Å; L8-L91 HydrophobicContact CD1-CD1 4.41Å; L8-L91 HydrophobicContact CD1-CD2 4.12Å; L8-L91 HydrophobicContact CD2-CB 4.46Å; L8-L91 HydrophobicContact CD2-CD2 4.23Å; L12-L91 HydrophobicContact CB-CD2 4.19Å; V16-L91 HydrophobicContact CG2-CD1 3.86Å; V16-L91 HydrophobicContact CG2-CD2 3.32Å; V16-L91 HydrophobicContact CG2-CG 4.1Å; F83-L91 HydrophobicContact CB-CD1 4.2Å; F83-L91 HydrophobicContact CD1-CD1 3.34Å; F83-L91 HydrophobicContact CD2-CD1 4.14Å; F83-L91 HydrophobicContact CE1-CD1 3.67Å; F83-L91 HydrophobicContact CE2-CD1 4.42Å; F83-L91 HydrophobicContact CG-CD1 3.62Å; F83-L91 HydrophobicContact CZ-CD1 4.22Å; V87-L91 HydrophobicContact CG2-CD1 4.21Å; V87-L91 WeakPolarHBondContact O-CG 3.45Å; V87-L91 PolarHBondContact O-N 3.16Å; A88-L91 PolarHBondContact O-N 3.5Å; M89-L91 VanDerWaalsContact C-N 3.26Å; M89-L91 PolarHBondContact O-N 3.32Å; L91-K93 PolarHBondContact O-N 3.4Å |
| 92 | I | 79.7 | Confident | 82.9 | Confident | 13 Ų | 13 | 21.4 Ų | 21.4 | 7% | 0.067 | 11% | 0.11 | C | C | . | . | trans | -70.4 | 128 | 175.9 | -49.6 | 173 | 0 | 0 | 0 | 108.6 | N94 P95 V142 R460 | I92-N94 WeakPolarHBondContact CG2-O 3.44Å; I92-P95 HydrophobicContact CG2-CB 4.46Å; I92-V142 HydrophobicContact CD1-CB 4.36Å; I92-V142 HydrophobicContact CD1-CG1 3.3Å; I92-V142 HydrophobicContact CG1-CG1 3.55Å; I92-R460 PolarHBondContact O-NH1 3.08Å | ||
| 93 | K | 78.3 | Confident | 83.5 | Confident | 48 Ų | 48 | 23.6 Ų | 23.6 | 21% | 0.209 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -78.6 | -50.8 | 174.5 | -176.3 | 167 | -174 | 166.8 | 0 | 111.6 | E9 L91 T386 Y462 | E9-K93 IonicContact OE1-NZ 2.64Å; E9-K93 PolarHBondContact OE1-NZ 3.02Å; L91-K93 PolarHBondContact O-N 3.4Å; K93-T386 HydrophobicContact CG-CG2 4.24Å; K93-Y462 PolarHBondContact O-OH 3.42Å |
| 94 | N | 80.5 | Confident | 83.9 | Confident | 24 Ų | 24 | 25.4 Ų | 25.4 | 13% | 0.128 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -123 | 105.4 | -179.3 | -63.6 | -24.8 | 0 | 0 | 0 | 108.7 | I92 V96 G379 W380 | I92-N94 WeakPolarHBondContact CG2-O 3.44Å; N94-V96 PolarHBondContact O-N 2.84Å; N94-G379 WeakPolarHBondContact OD1-CA 3.47Å; N94-G379 PolarHBondContact OD1-O 3.33Å; N94-W380 PolarHBondContact OD1-N 2.97Å |
| 95 | P | 83.6 | Confident | 84.3 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.032 | 16% | 0.163 | C | C | . | . | trans | -70.4 | 132.1 | -179.9 | 28.7 | -34.6 | 0 | 0 | 0 | 110.2 | I92 S143 W380 V424 L426 Y462 | I92-P95 HydrophobicContact CG2-CB 4.46Å; P95-S143 CarbonylContact C-O 3.49Å; P95-S143 WeakPolarHBondContact CA-O 3.43Å; P95-W380 HydrophobicContact CG-CH2 4.11Å; P95-W380 HydrophobicContact CG-CZ2 3.86Å; P95-V424 HydrophobicContact CG-CG1 3.75Å; P95-L426 HydrophobicContact CB-CD2 3.89Å; P95-L426 HydrophobicContact CG-CD2 3.93Å; P95-Y462 WeakPolarHBondContact CD-OH 3.35Å; P95-Y462 HydrophobicContact CG-CE2 4.42Å | ||
| 96 | V | 85.2 | Confident | 84.8 | Confident | 21 Ų | 21 | 31.2 Ų | 31.2 | 13% | 0.127 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -130.4 | 117.7 | 176.3 | -170.7 | 0 | 0 | 0 | 0 | 108.5 | N94 S143 C145 E147 | N94-V96 PolarHBondContact O-N 2.84Å; V96-S143 PolarHBondContact N-O 3.07Å; V96-S143 CarbonylContact O-C 3.46Å; V96-C145 HydrophobicContact CB-CB 4.12Å; V96-C145 WeakPolarHBondContact CB-O 3.48Å; V96-C145 HydrophobicContact CG1-CB 3.87Å; V96-C145 WeakPolarHBondContact O-CB 3.39Å; V96-C145 PolarHBondContact O-N 3.18Å; V96-C145 VanDerWaalsContact O-N 3.08Å; V96-E147 HydrophobicContact CG2-CG 3.51Å |
| 97 | A | 85.9 | Confident | 85.6 | Confident | 12 Ų | 12 | 38.7 Ų | 38.7 | 10% | 0.099 | 19% | 0.192 | C | C | . | . | trans | -55.7 | 139 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | C145 R428 V430 | A97-C145 WeakPolarHBondContact O-CB 3.46Å; A97-R428 WeakPolarHBondContact CA-O 3.29Å; A97-R428 WeakPolarHBondContact CB-O 3.44Å; A97-V430 HydrophobicContact CB-CG2 4.37Å | ||
| 98 | H | 89.9 | Confident | 86.2 | Confident | 12 Ų | 12 | 48.6 Ų | 48.6 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | trans | -81.3 | 149.7 | 165.2 | -67.9 | -72.7 | 0 | 0 | 0 | 110 | W100 C126 C129 Y131 V142 D144 C145 | H98-W100 HydrophobicContact CB-CD2 4.06Å; H98-W100 VanDerWaalsContact CB-CE2 3.46Å; H98-W100 HydrophobicContact CB-CH2 4.06Å; H98-W100 HydrophobicContact CB-CZ2 3.49Å; H98-W100 VanDerWaalsContact CB-CZ2 3.49Å; H98-W100 AromaticContact CD2-CZ2 3.62Å; H98-W100 AromaticContact CG-CZ2 3.69Å; H98-C126 HydrophobicContact CB-CB 4.17Å; H98-C126 PolarHBondContact ND1-SG 3.25Å; H98-C126 VanDerWaalsContact ND1-SG 3.43Å; H98-C129 VanDerWaalsContact CE1-SG 3.59Å; H98-C129 PolarHBondContact ND1-SG 2.95Å; H98-Y131 AromaticContact CE1-CD2 3.33Å; H98-Y131 WeakPolarHBondContact CE1-CD2 3.18Å; H98-Y131 AromaticContact CE1-CG 3.76Å; H98-Y131 AromaticContact NE2-CD2 3.37Å; H98-Y131 WeakPolarHBondContact NE2-CD2 3.49Å; H98-Y131 AromaticContact NE2-CE2 3.7Å; H98-Y131 AromaticContact NE2-CG 3.91Å; H98-V142 PolarHBondContact CD2-O 2.86Å; H98-V142 PolarHBondContact NE2-O 3.22Å; H98-D144 IonicContact CE1-OD1 3.49Å; H98-D144 IonicContact NE2-OD1 3.76Å; H98-C145 PolarHBondContact CE1-N 3.24Å; H98-C145 WeakPolarHBondContact ND1-CB 3.39Å | ||
| 99 | C | 90.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | trans | -100.3 | 103.2 | 170.3 | -55.2 | 0 | 0 | 0 | 0 | 108.4 | C126 E127 V128 I244 | C99-C126 CarbonylContact O-C 3.23Å; C99-C126 WeakPolarHBondContact O-CA 3.36Å; C99-E127 PolarHBondContact O-N 3.39Å; C99-V128 HydrophobicContact CB-CG2 4.2Å; C99-I244 HydrophobicContact CB-CD1 3.4Å | ||
| 100 | W | 90.6 | Very high | 87.7 | Confident | 40 Ų | 40 | 50.3 Ų | 50.3 | 15% | 0.152 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -84.1 | 138.3 | -170.7 | -62.1 | 107.9 | 0 | 0 | 0 | 112.6 | H98 M124 C126 Y131 V133 L138 A141 | H98-W100 HydrophobicContact CB-CD2 4.06Å; H98-W100 VanDerWaalsContact CB-CE2 3.46Å; H98-W100 HydrophobicContact CB-CH2 4.06Å; H98-W100 HydrophobicContact CB-CZ2 3.49Å; H98-W100 VanDerWaalsContact CB-CZ2 3.49Å; H98-W100 AromaticContact CD2-CZ2 3.62Å; H98-W100 AromaticContact CG-CZ2 3.69Å; W100-M124 HydrophobicContact CB-SD 4.48Å; W100-M124 HydrophobicContact CE3-CB 4.09Å; W100-C126 HydrophobicContact CE3-CB 4.46Å; W100-C126 HydrophobicContact CZ3-CB 4.27Å; W100-Y131 AromaticContact CH2-CD1 3.6Å; W100-Y131 HydrophobicContact CH2-CD1 3.6Å; W100-Y131 HydrophobicContact CH2-CE1 4.2Å; W100-Y131 HydrophobicContact CH2-CG 4.11Å; W100-Y131 HydrophobicContact CZ3-CD1 4.19Å; W100-V133 HydrophobicContact CE3-CG2 4.19Å; W100-V133 HydrophobicContact CH2-CG1 4.09Å; W100-V133 HydrophobicContact CH2-CG2 3.78Å; W100-V133 HydrophobicContact CZ2-CG2 4.43Å; W100-V133 HydrophobicContact CZ3-CG2 3.64Å; W100-L138 HydrophobicContact CD2-CD1 3.75Å; W100-L138 HydrophobicContact CE3-CD1 4.46Å; W100-L138 HydrophobicContact CG-CD1 4.07Å; W100-L138 HydrophobicContact CH2-CD1 4.35Å; W100-L138 HydrophobicContact CZ2-CD1 3.62Å; W100-A141 HydrophobicContact CH2-CB 4.13Å; W100-A141 HydrophobicContact CZ2-CB 3.76Å |
| 101 | S | 89.9 | Confident | 88.5 | Confident | 12 Ų | 12 | 47.4 Ų | 47.4 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 169.3 | 168.1 | 71.5 | 0 | 0 | 0 | 0 | 111.7 | E125 | S101-E125 WeakPolarHBondContact CB-O 3.39Å; S101-E125 PolarHBondContact N-O 2.84Å; S101-E125 WeakPolarHBondContact OG-CG 3.3Å; S101-E125 PolarHBondContact OG-N 2.84Å; S101-E125 PolarHBondContact OG-O 2.9Å |
| 102 | Q | 88.3 | Confident | 89.2 | Confident | 82 Ų | 82 | 47.6 Ų | 47.6 | 38% | 0.383 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -60.4 | 150.6 | 163.8 | -67.3 | -59.2 | -48.4 | 0 | 0 | 111.6 | V104 T247 | Q102-V104 PolarHBondContact O-N 3.13Å; Q102-T247 VanDerWaalsContact NE2-N 3.14Å; Q102-T247 PolarHBondContact NE2-OG1 3.15Å; Q102-T247 PolarHBondContact OE1-OG1 3.27Å |
| 103 | P | 93.4 | Very high | 89.7 | Confident | 59 Ų | 59 | 47.1 Ų | 47.1 | 38% | 0.383 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -59.7 | 127.2 | 175 | -25.8 | 35.3 | 0 | 0 | 0 | 112.8 | S123 M124 V135 | P103-S123 WeakPolarHBondContact CA-O 3.33Å; P103-M124 HydrophobicContact CB-CG 4.4Å; P103-M124 HydrophobicContact CG-CG 4.15Å; P103-M124 HydrophobicContact CG-SD 4.13Å; P103-V135 HydrophobicContact CB-CG2 3.82Å; P103-V135 HydrophobicContact CG-CG2 4.06Å |
| 104 | V | 90.9 | Very high | 90.3 | Very high | 61 Ų | 61 | 45.6 Ų | 45.6 | 37% | 0.37 | 22% | 0.215 | S | C | . | . | B | Isolated β-bridge | trans | -146.2 | 160.3 | -178.8 | -68.3 | 0 | 0 | 0 | 0 | 111.3 | Q102 L106 S123 | Q102-V104 PolarHBondContact O-N 3.13Å; V104-L106 HydrophobicContact CG2-CD2 3.44Å; V104-L106 VanDerWaalsContact CG2-CD2 3.44Å; V104-L106 HydrophobicContact CG2-CG 3.9Å; V104-L106 PolarHBondContact O-N 2.94Å; V104-S123 PolarHBondContact N-O 2.8Å; V104-S123 PolarHBondContact O-N 3.28Å |
| 105 | F | 93.3 | Very high | 90.9 | Very high | 126 Ų | 126 | 45.2 Ų | 45.2 | 55% | 0.553 | 21% | 0.212 | S | C | * | . | trans | -82.9 | 106.2 | 172.3 | -66 | -80 | 0 | 0 | 0 | 110.2 | L122 | F105-L122 HydrophobicContact CD1-CD2 4.4Å; F105-L122 HydrophobicContact CD2-CD2 3.91Å; F105-L122 HydrophobicContact CE1-CD2 4.05Å; F105-L122 HydrophobicContact CE1-CG 4.09Å; F105-L122 HydrophobicContact CE2-CD2 3.52Å; F105-L122 HydrophobicContact CE2-CG 4.27Å; F105-L122 HydrophobicContact CG-CD2 4.34Å; F105-L122 HydrophobicContact CZ-CD2 3.59Å; F105-L122 HydrophobicContact CZ-CG 3.82Å | ||
| 106 | L | 92 | Very high | 91.3 | Very high | 16 Ų | 16 | 50.8 Ų | 50.8 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | trans | -92.9 | 110 | -175.7 | -62.5 | 176.9 | 0 | 0 | 0 | 110.4 | V104 K109 T118 D119 E125 Y132 | V104-L106 HydrophobicContact CG2-CD2 3.44Å; V104-L106 VanDerWaalsContact CG2-CD2 3.44Å; V104-L106 HydrophobicContact CG2-CG 3.9Å; V104-L106 PolarHBondContact O-N 2.94Å; L106-K109 HydrophobicContact CB-CB 4.41Å; L106-K109 HydrophobicContact CB-CG 4.33Å; L106-T118 CarbonylContact O-C 3.55Å; L106-T118 VanDerWaalsContact O-C 3.24Å; L106-T118 PolarHBondContact O-OG1 2.78Å; L106-D119 WeakPolarHBondContact O-CA 3.41Å; L106-D119 PolarHBondContact O-N 2.79Å; L106-E125 HydrophobicContact CD1-CB 3.89Å; L106-E125 HydrophobicContact CD1-CG 3.74Å; L106-E125 HydrophobicContact CD2-CG 4.14Å; L106-E125 VanDerWaalsContact CD2-OE1 3.24Å; L106-E125 WeakPolarHBondContact CD2-OE1 3.35Å; L106-Y132 HydrophobicContact CD1-CD1 3.81Å; L106-Y132 HydrophobicContact CD1-CE1 4.4Å | ||
| 107 | K | 91.9 | Very high | 91.7 | Very high | 170 Ų | 170 | 54.4 Ų | 54.4 | 74% | 0.739 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 141.2 | 178.1 | -66.2 | -171.2 | 177.4 | -176.9 | 0 | 111.7 | K109 | K107-K109 PolarHBondContact O-N 2.89Š|
| 108 | R | 90.8 | Very high | 92.2 | Very high | 211 Ų | 211 | 53.9 Ų | 53.9 | 80% | 0.796 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 32.7 | 173.6 | -55.7 | 176 | 173.7 | 179 | -3.1 | 113.9 | D119 | R108-D119 PolarHBondContact N-OD1 2.79Å; R108-D119 PolarHBondContact N-OD2 2.8Å |
| 109 | K | 95.1 | Very high | 92.4 | Very high | 51 Ų | 51 | 55.3 Ų | 55.3 | 22% | 0.222 | 25% | 0.25 | C | S | . | . | trans | -119.9 | 158.6 | 172.5 | -56.2 | -68.8 | -178.2 | 167.1 | 0 | 109.6 | L106 K107 R117 T118 Y132 | L106-K109 HydrophobicContact CB-CB 4.41Å; L106-K109 HydrophobicContact CB-CG 4.33Å; K107-K109 PolarHBondContact O-N 2.89Å; K109-R117 WeakPolarHBondContact O-CA 3.23Å; K109-T118 VanDerWaalsContact CB-OG1 3.31Å; K109-T118 WeakPolarHBondContact CB-OG1 3.49Å; K109-T118 PolarHBondContact O-N 3.17Å; K109-T118 PolarHBondContact O-OG1 2.91Å; K109-Y132 HydrophobicContact CB-CD1 4.1Å; K109-Y132 HydrophobicContact CB-CG 4.31Å; K109-Y132 HydrophobicContact CD-CD1 4.16Å; K109-Y132 HydrophobicContact CD-CD2 4.45Å; K109-Y132 HydrophobicContact CD-CE1 3.76Å; K109-Y132 HydrophobicContact CD-CE2 4.07Å; K109-Y132 HydrophobicContact CD-CG 4.49Å; K109-Y132 WeakPolarHBondContact CE-OH 3.49Å; K109-Y132 HydrophobicContact CG-CD1 3.92Å; K109-Y132 HydrophobicContact CG-CE1 3.84Å; K109-Y132 HydrophobicContact CG-CG 4.48Å; K109-Y132 PolarHBondContact NZ-OH 2.85Å | ||
| 110 | F | 95.1 | Very high | 92.4 | Very high | 15 Ų | 15 | 61.9 Ų | 61.9 | 7% | 0.066 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -114.5 | 142.1 | 171.5 | -61.3 | -87.5 | 0 | 0 | 0 | 109.8 | R115 K116 R117 H170 S187 E188 L190 | F110-R115 WeakPolarHBondContact CD1-O 3.09Å; F110-K116 CarbonylContact C-O 3.5Å; F110-K116 WeakPolarHBondContact CA-O 3.34Å; F110-R117 HydrophobicContact CD1-CG 3.92Å; F110-R117 HydrophobicContact CE1-CG 3.55Å; F110-R117 HydrophobicContact CZ-CG 4.26Å; F110-H170 PolarHBondContact N-NE2 2.96Å; F110-H170 VanDerWaalsContact N-NE2 3.17Å; F110-H170 PolarHBondContact O-CE1 3.41Å; F110-H170 PolarHBondContact O-NE2 3.12Å; F110-S187 WeakPolarHBondContact CZ-O 3.41Å; F110-E188 VanDerWaalsContact CZ-C 3.46Å; F110-E188 WeakPolarHBondContact CZ-O 3.39Å; F110-L190 HydrophobicContact CB-CD1 3.84Å; F110-L190 HydrophobicContact CB-CD2 3.7Å; F110-L190 HydrophobicContact CB-CG 3.52Å; F110-L190 HydrophobicContact CD2-CD2 4.24Å; F110-L190 HydrophobicContact CD2-CG 4.22Å; F110-L190 HydrophobicContact CG-CD2 4.29Å; F110-L190 HydrophobicContact CG-CG 3.97Å |
| 111 | C | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -69.1 | 128.1 | 169.3 | 169.3 | 0 | 0 | 0 | 0 | 109.6 | V113 C114 R115 K116 T118 Y132 H134 | C111-V113 PolarHBondContact O-N 3.12Å; C111-V113 PolarHBondContact SG-N 2.91Å; C111-V113 VanDerWaalsContact SG-N 3.4Å; C111-C114 PolarHBondContact SG-N 3.38Å; C111-R115 WeakPolarHBondContact O-CA 3.41Å; C111-R115 PolarHBondContact O-N 2.87Å; C111-K116 PolarHBondContact N-O 3.03Å; C111-T118 HydrophobicContact CB-CG2 4.23Å; C111-Y132 CarbonylContact C-O 3.56Å; C111-Y132 WeakPolarHBondContact CA-O 3.17Å; C111-H134 VanDerWaalsContact CB-CE1 3.41Å; C111-H134 WeakPolarHBondContact CB-CE1 3.43Å; C111-H134 VanDerWaalsContact CB-ND1 3.3Å; C111-H134 WeakPolarHBondContact CB-ND1 3.36Å | ||
| 112 | L | 93.1 | Very high | 92.9 | Very high | 20 Ų | 20 | 65.6 Ų | 65.6 | 11% | 0.105 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -11.5 | -179.1 | -75.1 | 167.5 | 0 | 0 | 0 | 114.2 | Y131 Y132 E168 L190 | L112-Y131 HydrophobicContact CB-CD1 4.19Å; L112-Y131 HydrophobicContact CB-CE1 3.64Å; L112-Y131 HydrophobicContact CD1-CD1 3.6Å; L112-Y131 HydrophobicContact CD1-CD2 3.84Å; L112-Y131 HydrophobicContact CD1-CE1 3.84Å; L112-Y131 HydrophobicContact CD1-CE2 4.1Å; L112-Y131 HydrophobicContact CD1-CG 3.58Å; L112-Y131 HydrophobicContact CG-CD1 4.47Å; L112-Y131 HydrophobicContact CG-CE1 4.38Å; L112-Y132 PolarHBondContact N-O 3.1Å; L112-E168 WeakPolarHBondContact CD2-O 3.3Å; L112-L190 HydrophobicContact CD2-CD1 4.06Å; L112-L190 HydrophobicContact CD2-CD2 3.95Å |
| 113 | V | 90.8 | Very high | 93.3 | Very high | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.024 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -60.7 | 175.9 | 174.8 | 0 | 0 | 0 | 0 | 110.3 | S85 C111 V133 C137 L140 | S85-V113 PolarHBondContact OG-O 3.27Å; C111-V113 PolarHBondContact O-N 3.12Å; C111-V113 PolarHBondContact SG-N 2.91Å; C111-V113 VanDerWaalsContact SG-N 3.4Å; V113-V133 HydrophobicContact CG2-CG1 3.97Å; V113-C137 HydrophobicContact CB-CB 3.92Å; V113-C137 HydrophobicContact CG1-CB 4.1Å; V113-C137 HydrophobicContact CG2-CB 4.27Å; V113-L140 HydrophobicContact CG1-CB 3.62Å; V113-L140 HydrophobicContact CG1-CD1 3.97Å; V113-L140 HydrophobicContact CG1-CG 4.44Å; V113-L140 HydrophobicContact CG2-CB 4.37Å |
| 114 | C | 91.5 | Very high | 93.4 | Very high | 16 Ų | 16 | 59.4 Ų | 59.4 | 11% | 0.108 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -4.6 | -173.1 | 79.4 | 0 | 0 | 0 | 0 | 114.3 | C68 N69 C111 K116 H134 | C68-C114 CarbonylContact O-C 3.51Å; C68-C114 VanDerWaalsContact O-C 3.23Å; N69-C114 WeakPolarHBondContact CB-O 3.34Å; N69-C114 PolarHBondContact ND2-O 2.89Å; C111-C114 PolarHBondContact SG-N 3.38Å; C114-K116 PolarHBondContact O-N 3.28Å; C114-H134 PolarHBondContact SG-CE1 3.13Å; C114-H134 PolarHBondContact SG-ND1 3.03Å |
| 115 | R | 92.4 | Very high | 93.5 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 6% | 0.06 | 26% | 0.263 | C | S | . | . | trans | 61.5 | 6.2 | 179.4 | -53.8 | -177.3 | 170.9 | -102.5 | -7.9 | 115.9 | C68 F110 C111 E168 L190 | C68-R115 WeakPolarHBondContact O-CB 3.31Å; C68-R115 WeakPolarHBondContact O-CD 3.27Å; C68-R115 VanDerWaalsContact O-CG 3.27Å; C68-R115 WeakPolarHBondContact O-CG 3.35Å; F110-R115 WeakPolarHBondContact CD1-O 3.09Å; C111-R115 WeakPolarHBondContact O-CA 3.41Å; C111-R115 PolarHBondContact O-N 2.87Å; R115-E168 IonicContact CZ-OE1 2.69Å; R115-E168 IonicContact CZ-OE2 2.89Å; R115-E168 VanDerWaalsContact NH1-CD 3.3Å; R115-E168 IonicContact NH1-OE1 3.54Å; R115-E168 PolarHBondContact NH1-OE1 3.36Å; R115-E168 IonicContact NH1-OE2 3.92Å; R115-E168 PolarHBondContact NH1-OE2 2.92Å; R115-E168 IonicContact NH2-OE1 3.61Å; R115-E168 PolarHBondContact NH2-OE1 3.28Å; R115-E168 IonicContact NH2-OE2 2.65Å; R115-E168 PolarHBondContact NH2-OE2 3.44Å; R115-L190 HydrophobicContact CB-CD1 4.12Å; R115-L190 HydrophobicContact CG-CD1 3.92Å | ||
| 116 | K | 92.5 | Very high | 93.5 | Very high | 122 Ų | 122 | 51.7 Ų | 51.7 | 53% | 0.53 | 24% | 0.236 | S | C | . | . | trans | -82.4 | 158.9 | 174.6 | -62.6 | 174.5 | -177.3 | 171.6 | 0 | 111.1 | N69 F110 C111 C114 | N69-K116 WeakPolarHBondContact ND2-CE 3.38Å; F110-K116 CarbonylContact C-O 3.5Å; F110-K116 WeakPolarHBondContact CA-O 3.34Å; C111-K116 PolarHBondContact N-O 3.03Å; C114-K116 PolarHBondContact O-N 3.28Å | ||
| 117 | R | 93.7 | Very high | 93.6 | Very high | 97 Ų | 97 | 51.3 Ų | 51.3 | 37% | 0.366 | 23% | 0.234 | S | C | . | . | B | Isolated β-bridge | trans | -62.7 | 148.6 | 175.6 | -72.1 | -171.5 | -177.6 | -79.1 | 1.1 | 111.6 | K109 F110 D119 H134 S187 E188 | K109-R117 WeakPolarHBondContact O-CA 3.23Å; F110-R117 HydrophobicContact CD1-CG 3.92Å; F110-R117 HydrophobicContact CE1-CG 3.55Å; F110-R117 HydrophobicContact CZ-CG 4.26Å; R117-D119 WeakPolarHBondContact CB-OD2 3.49Å; R117-H134 PolarHBondContact O-CE1 2.95Å; R117-H134 PolarHBondContact O-NE2 3.44Å; R117-S187 PolarHBondContact NH1-O 3.46Å; R117-S187 PolarHBondContact NH2-O 3.14Å; R117-E188 IonicContact NH2-OE2 2.71Å; R117-E188 PolarHBondContact NH2-OE2 3.12Å |
| 118 | T | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -100.2 | -0.8 | 179.2 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | L106 K109 C111 D120 V121 S123 | L106-T118 CarbonylContact O-C 3.55Å; L106-T118 VanDerWaalsContact O-C 3.24Å; L106-T118 PolarHBondContact O-OG1 2.78Å; K109-T118 VanDerWaalsContact CB-OG1 3.31Å; K109-T118 WeakPolarHBondContact CB-OG1 3.49Å; K109-T118 PolarHBondContact O-N 3.17Å; K109-T118 PolarHBondContact O-OG1 2.91Å; C111-T118 HydrophobicContact CB-CG2 4.23Å; T118-D120 VanDerWaalsContact C-N 3.32Å; T118-D120 PolarHBondContact O-N 3.03Å; T118-V121 PolarHBondContact O-N 2.88Å; T118-S123 VanDerWaalsContact CB-OG 3.27Å; T118-S123 WeakPolarHBondContact CB-OG 3.41Å; T118-S123 WeakPolarHBondContact CG2-OG 3.18Å | ||
| 119 | D | 93.4 | Very high | 93.7 | Very high | 42 Ų | 42 | 33.2 Ų | 33.2 | 23% | 0.225 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -39.7 | -170.3 | -60.7 | -115 | 0 | 0 | 0 | 113.5 | L106 R108 R117 | L106-D119 WeakPolarHBondContact O-CA 3.41Å; L106-D119 PolarHBondContact O-N 2.79Å; R108-D119 PolarHBondContact N-OD1 2.79Å; R108-D119 PolarHBondContact N-OD2 2.8Å; R117-D119 WeakPolarHBondContact CB-OD2 3.49Å |
| 120 | D | 92 | Very high | 93.5 | Very high | 139 Ų | 139 | 32.2 Ų | 32.2 | 74% | 0.743 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.2 | 11.2 | -173.7 | -51.8 | -49.5 | 0 | 0 | 0 | 113.5 | T118 | T118-D120 VanDerWaalsContact C-N 3.32Å; T118-D120 PolarHBondContact O-N 3.03Å |
| 121 | V | 93.8 | Very high | 93.5 | Very high | 49 Ų | 49 | 31.8 Ų | 31.8 | 30% | 0.297 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -133.5 | 132.6 | -175.7 | -178.4 | 0 | 0 | 0 | 0 | 109.3 | T118 S123 H134 | T118-V121 PolarHBondContact O-N 2.88Å; V121-S123 PolarHBondContact O-N 2.85Å; V121-S123 PolarHBondContact O-OG 3.32Å; V121-H134 HydrophobicContact CG1-CB 4.24Å; V121-H134 VanDerWaalsContact CG1-CD2 3.5Å; V121-H134 WeakPolarHBondContact CG1-CD2 3.49Å |
| 122 | L | 96.7 | Very high | 93.5 | Very high | 81 Ų | 81 | 32.1 Ų | 32.1 | 42% | 0.424 | 16% | 0.157 | S | C | . | . | trans | -53.7 | 127.4 | 175.8 | -74.4 | 176 | 0 | 0 | 0 | 110.2 | F105 V135 | F105-L122 HydrophobicContact CD1-CD2 4.4Å; F105-L122 HydrophobicContact CD2-CD2 3.91Å; F105-L122 HydrophobicContact CE1-CD2 4.05Å; F105-L122 HydrophobicContact CE1-CG 4.09Å; F105-L122 HydrophobicContact CE2-CD2 3.52Å; F105-L122 HydrophobicContact CE2-CG 4.27Å; F105-L122 HydrophobicContact CG-CD2 4.34Å; F105-L122 HydrophobicContact CZ-CD2 3.59Å; F105-L122 HydrophobicContact CZ-CG 3.82Å; L122-V135 HydrophobicContact CB-CG2 3.97Å; L122-V135 WeakPolarHBondContact O-CG2 3.34Å; L122-V135 PolarHBondContact O-N 2.81Å | ||
| 123 | S | 97 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 156.1 | -170.5 | -61.5 | 0 | 0 | 0 | 0 | 110.2 | P103 V104 T118 V121 V133 H134 | P103-S123 WeakPolarHBondContact CA-O 3.33Å; V104-S123 PolarHBondContact N-O 2.8Å; V104-S123 PolarHBondContact O-N 3.28Å; T118-S123 VanDerWaalsContact CB-OG 3.27Å; T118-S123 WeakPolarHBondContact CB-OG 3.41Å; T118-S123 WeakPolarHBondContact CG2-OG 3.18Å; V121-S123 PolarHBondContact O-N 2.85Å; V121-S123 PolarHBondContact O-OG 3.32Å; S123-V133 CarbonylContact C-O 3.57Å; S123-V133 WeakPolarHBondContact CA-O 3.34Å; S123-V133 VanDerWaalsContact CB-O 3.22Å; S123-V133 WeakPolarHBondContact CB-O 3.3Å; S123-H134 PolarHBondContact OG-CD2 3.36Å; S123-H134 VanDerWaalsContact OG-CD2 3.29Å |
| 124 | M | 94.7 | Very high | 93.7 | Very high | 11 Ų | 11 | 31.5 Ų | 31.5 | 5% | 0.054 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 157.9 | 174.7 | -66.6 | 174.4 | -62.2 | 0 | 0 | 109.1 | W100 P103 V133 V135 L138 | W100-M124 HydrophobicContact CB-SD 4.48Å; W100-M124 HydrophobicContact CE3-CB 4.09Å; P103-M124 HydrophobicContact CB-CG 4.4Å; P103-M124 HydrophobicContact CG-CG 4.15Å; P103-M124 HydrophobicContact CG-SD 4.13Å; M124-V133 HydrophobicContact CB-CG2 4.36Å; M124-V133 HydrophobicContact CE-CG2 4.48Å; M124-V133 PolarHBondContact N-O 3.05Å; M124-V133 PolarHBondContact O-N 2.85Å; M124-V135 HydrophobicContact CE-CB 4.48Å; M124-V135 HydrophobicContact CE-CG2 4.18Å; M124-V135 HydrophobicContact CG-CG2 4.29Å; M124-V135 HydrophobicContact SD-CG2 4.49Å; M124-L138 HydrophobicContact CE-CB 3.63Å; M124-L138 HydrophobicContact CE-CD1 3.84Å; M124-L138 HydrophobicContact CE-CD2 3.29Å; M124-L138 HydrophobicContact CE-CG 3.72Å; M124-L138 HydrophobicContact SD-CD2 4.31Å |
| 125 | E | 94 | Very high | 93.8 | Very high | 26 Ų | 26 | 32.7 Ų | 32.7 | 12% | 0.121 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 145.1 | 178.2 | 42.5 | 172.2 | 173 | 0 | 0 | 110.5 | S101 L106 Y131 Y132 R583 K587 | S101-E125 WeakPolarHBondContact CB-O 3.39Å; S101-E125 PolarHBondContact N-O 2.84Å; S101-E125 WeakPolarHBondContact OG-CG 3.3Å; S101-E125 PolarHBondContact OG-N 2.84Å; S101-E125 PolarHBondContact OG-O 2.9Å; L106-E125 HydrophobicContact CD1-CB 3.89Å; L106-E125 HydrophobicContact CD1-CG 3.74Å; L106-E125 HydrophobicContact CD2-CG 4.14Å; L106-E125 VanDerWaalsContact CD2-OE1 3.24Å; L106-E125 WeakPolarHBondContact CD2-OE1 3.35Å; E125-Y131 CarbonylContact C-O 3.51Å; E125-Y131 VanDerWaalsContact CA-O 3.25Å; E125-Y131 WeakPolarHBondContact CA-O 3.21Å; E125-Y132 HydrophobicContact CB-CD1 3.6Å; E125-Y132 HydrophobicContact CB-CE1 3.75Å; E125-Y132 HydrophobicContact CB-CG 4.47Å; E125-Y132 HydrophobicContact CG-CE1 4.42Å; E125-Y132 WeakPolarHBondContact OE2-CE1 3.48Å; E125-R583 IonicContact OE1-CZ 2.84Å; E125-R583 IonicContact OE1-NH1 3.52Å; E125-R583 PolarHBondContact OE1-NH1 3.1Å; E125-R583 IonicContact OE1-NH2 2.85Å; E125-R583 IonicContact OE2-CZ 2.9Å; E125-R583 IonicContact OE2-NH1 3.26Å; E125-R583 PolarHBondContact OE2-NH1 3.33Å; E125-R583 VanDerWaalsContact OE2-NH1 3.1Å; E125-R583 IonicContact OE2-NH2 3.91Å; E125-R583 PolarHBondContact OE2-NH2 2.93Å; E125-K587 IonicContact OE2-NZ 3.81Å |
| 126 | C | 93.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -69.7 | 137 | 178.1 | -177.1 | 0 | 0 | 0 | 0 | 109.7 | H98 C99 W100 V128 C129 Y131 R583 K587 | H98-C126 HydrophobicContact CB-CB 4.17Å; H98-C126 PolarHBondContact ND1-SG 3.25Å; H98-C126 VanDerWaalsContact ND1-SG 3.43Å; C99-C126 CarbonylContact O-C 3.23Å; C99-C126 WeakPolarHBondContact O-CA 3.36Å; W100-C126 HydrophobicContact CE3-CB 4.46Å; W100-C126 HydrophobicContact CZ3-CB 4.27Å; C126-V128 VanDerWaalsContact C-N 3.28Å; C126-V128 PolarHBondContact SG-N 3.19Å; C126-V128 VanDerWaalsContact SG-N 3.42Å; C126-C129 VanDerWaalsContact O-O 3.08Å; C126-C129 PolarHBondContact SG-N 3.32Å; C126-C129 VanDerWaalsContact SG-SG 3.69Å; C126-Y131 PolarHBondContact N-O 3.41Å; C126-R583 PolarHBondContact O-NH2 3.45Å; C126-K587 VanDerWaalsContact O-CE 3.25Å; C126-K587 WeakPolarHBondContact O-CE 3.25Å |
| 127 | E | 92.6 | Very high | 93.4 | Very high | 7 Ų | 7 | 30 Ų | 30 | 3% | 0.033 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -80.4 | -10.9 | 176.2 | -64.9 | -156.6 | -162.9 | 0 | 0 | 113.8 | C99 I244 R583 R586 | C99-E127 PolarHBondContact O-N 3.39Å; E127-I244 HydrophobicContact CB-CD1 4.04Å; E127-I244 HydrophobicContact CG-CG2 4.44Å; E127-R583 HydrophobicContact CB-CG 4.24Å; E127-R583 HydrophobicContact CG-CG 4.4Å; E127-R586 WeakPolarHBondContact O-CB 3.43Å; E127-R586 IonicContact OE2-NH1 2.68Å |
| 128 | V | 92.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -110.5 | -25.4 | -175.6 | 179.6 | 0 | 0 | 0 | 0 | 112.7 | C99 C126 R146 L242 I244 P591 | C99-V128 HydrophobicContact CB-CG2 4.2Å; C126-V128 VanDerWaalsContact C-N 3.28Å; C126-V128 PolarHBondContact SG-N 3.19Å; C126-V128 VanDerWaalsContact SG-N 3.42Å; V128-R146 PolarHBondContact O-NE 3.21Å; V128-R146 PolarHBondContact O-NH2 3.35Å; V128-L242 HydrophobicContact CG2-CD1 3.57Å; V128-I244 HydrophobicContact CG2-CD1 4.39Å; V128-P591 HydrophobicContact CG1-CB 4.1Å; V128-P591 HydrophobicContact CG1-CG 3.78Å; V128-P591 HydrophobicContact CG2-CB 4.32Å |
| 129 | C | 93.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -142.6 | 174.3 | 176.9 | 72.2 | 0 | 0 | 0 | 0 | 111.9 | H98 C126 Y131 R146 E196 | H98-C129 VanDerWaalsContact CE1-SG 3.59Å; H98-C129 PolarHBondContact ND1-SG 2.95Å; C126-C129 VanDerWaalsContact O-O 3.08Å; C126-C129 PolarHBondContact SG-N 3.32Å; C126-C129 VanDerWaalsContact SG-SG 3.69Å; C129-Y131 PolarHBondContact O-N 3.43Å; C129-R146 HydrophobicContact CB-CG 4.45Å; C129-E196 WeakPolarHBondContact CB-OE2 3.41Å |
| 130 | E | 91 | Very high | 91.8 | Very high | 30 Ų | 30 | 29 Ų | 29 | 14% | 0.14 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -82.7 | 57.4 | 177.1 | -66.2 | -154.7 | 177 | 0 | 0 | 112.7 | Y132 R194 E196 K587 | E130-Y132 HydrophobicContact CB-CE2 4Å; E130-R194 IonicContact OE1-CZ 3.8Å; E130-R194 IonicContact OE1-NH1 3.55Å; E130-R194 PolarHBondContact OE1-NH1 3.03Å; E130-R194 IonicContact OE2-NH1 2.8Å; E130-R194 PolarHBondContact OE2-NH1 3.16Å; E130-E196 PolarHBondContact N-OE2 3.48Å; E130-K587 HydrophobicContact CG-CD 4.31Å |
| 131 | Y | 93.7 | Very high | 91.6 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 2% | 0.024 | 12% | 0.119 | C | C | . | . | trans | -103 | 128 | 171.4 | -149.3 | -63.7 | 0 | 0 | 0 | 111.1 | H98 W100 L112 E125 C126 C129 V133 A141 V142 D144 R167 | H98-Y131 AromaticContact CE1-CD2 3.33Å; H98-Y131 WeakPolarHBondContact CE1-CD2 3.18Å; H98-Y131 AromaticContact CE1-CG 3.76Å; H98-Y131 AromaticContact NE2-CD2 3.37Å; H98-Y131 WeakPolarHBondContact NE2-CD2 3.49Å; H98-Y131 AromaticContact NE2-CE2 3.7Å; H98-Y131 AromaticContact NE2-CG 3.91Å; W100-Y131 AromaticContact CH2-CD1 3.6Å; W100-Y131 HydrophobicContact CH2-CD1 3.6Å; W100-Y131 HydrophobicContact CH2-CE1 4.2Å; W100-Y131 HydrophobicContact CH2-CG 4.11Å; W100-Y131 HydrophobicContact CZ3-CD1 4.19Å; L112-Y131 HydrophobicContact CB-CD1 4.19Å; L112-Y131 HydrophobicContact CB-CE1 3.64Å; L112-Y131 HydrophobicContact CD1-CD1 3.6Å; L112-Y131 HydrophobicContact CD1-CD2 3.84Å; L112-Y131 HydrophobicContact CD1-CE1 3.84Å; L112-Y131 HydrophobicContact CD1-CE2 4.1Å; L112-Y131 HydrophobicContact CD1-CG 3.58Å; L112-Y131 HydrophobicContact CG-CD1 4.47Å; L112-Y131 HydrophobicContact CG-CE1 4.38Å; E125-Y131 CarbonylContact C-O 3.51Å; E125-Y131 VanDerWaalsContact CA-O 3.25Å; E125-Y131 WeakPolarHBondContact CA-O 3.21Å; C126-Y131 PolarHBondContact N-O 3.41Å; C129-Y131 PolarHBondContact O-N 3.43Å; Y131-V133 HydrophobicContact CD1-CG1 3.72Å; Y131-V133 HydrophobicContact CE1-CG1 3.36Å; Y131-A141 HydrophobicContact CE1-CB 4.23Å; Y131-V142 HydrophobicContact CE2-CB 4.38Å; Y131-V142 PolarHBondContact OH-N 3.46Å; Y131-V142 VanDerWaalsContact OH-N 3.1Å; Y131-D144 WeakPolarHBondContact CE2-OD1 3.46Å; Y131-R167 VanDerWaalsContact CD2-CZ 3.43Å | ||
| 132 | Y | 95.4 | Very high | 91.3 | Very high | 7 Ų | 7 | 20.4 Ų | 20.4 | 3% | 0.027 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 131.7 | -177.6 | -60.6 | -89.1 | 0 | 0 | 0 | 110.5 | L106 K109 C111 L112 E125 E130 H170 | L106-Y132 HydrophobicContact CD1-CD1 3.81Å; L106-Y132 HydrophobicContact CD1-CE1 4.4Å; K109-Y132 HydrophobicContact CB-CD1 4.1Å; K109-Y132 HydrophobicContact CB-CG 4.31Å; K109-Y132 HydrophobicContact CD-CD1 4.16Å; K109-Y132 HydrophobicContact CD-CD2 4.45Å; K109-Y132 HydrophobicContact CD-CE1 3.76Å; K109-Y132 HydrophobicContact CD-CE2 4.07Å; K109-Y132 HydrophobicContact CD-CG 4.49Å; K109-Y132 WeakPolarHBondContact CE-OH 3.49Å; K109-Y132 HydrophobicContact CG-CD1 3.92Å; K109-Y132 HydrophobicContact CG-CE1 3.84Å; K109-Y132 HydrophobicContact CG-CG 4.48Å; K109-Y132 PolarHBondContact NZ-OH 2.85Å; C111-Y132 CarbonylContact C-O 3.56Å; C111-Y132 WeakPolarHBondContact CA-O 3.17Å; L112-Y132 PolarHBondContact N-O 3.1Å; E125-Y132 HydrophobicContact CB-CD1 3.6Å; E125-Y132 HydrophobicContact CB-CE1 3.75Å; E125-Y132 HydrophobicContact CB-CG 4.47Å; E125-Y132 HydrophobicContact CG-CE1 4.42Å; E125-Y132 WeakPolarHBondContact OE2-CE1 3.48Å; E130-Y132 HydrophobicContact CB-CE2 4Å; Y132-H170 AromaticContact CD2-CD2 3.84Å; Y132-H170 AromaticContact CD2-CE1 3.38Å; Y132-H170 WeakPolarHBondContact CD2-CE1 3.47Å; Y132-H170 AromaticContact CD2-CG 3.91Å; Y132-H170 AromaticContact CD2-ND1 3.68Å; Y132-H170 AromaticContact CD2-NE2 3.46Å; Y132-H170 WeakPolarHBondContact CD2-NE2 3.38Å; Y132-H170 HydrophobicContact CE2-CB 4.37Å; Y132-H170 AromaticContact CE2-CG 3.93Å; Y132-H170 AromaticContact CG-NE2 3.92Å |
| 133 | V | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 148.6 | 178.4 | -65.3 | 0 | 0 | 0 | 0 | 112.3 | W100 V113 S123 M124 Y131 C137 L138 A141 | W100-V133 HydrophobicContact CE3-CG2 4.19Å; W100-V133 HydrophobicContact CH2-CG1 4.09Å; W100-V133 HydrophobicContact CH2-CG2 3.78Å; W100-V133 HydrophobicContact CZ2-CG2 4.43Å; W100-V133 HydrophobicContact CZ3-CG2 3.64Å; V113-V133 HydrophobicContact CG2-CG1 3.97Å; S123-V133 CarbonylContact C-O 3.57Å; S123-V133 WeakPolarHBondContact CA-O 3.34Å; S123-V133 VanDerWaalsContact CB-O 3.22Å; S123-V133 WeakPolarHBondContact CB-O 3.3Å; M124-V133 HydrophobicContact CB-CG2 4.36Å; M124-V133 HydrophobicContact CE-CG2 4.48Å; M124-V133 PolarHBondContact N-O 3.05Å; M124-V133 PolarHBondContact O-N 2.85Å; Y131-V133 HydrophobicContact CD1-CG1 3.72Å; Y131-V133 HydrophobicContact CE1-CG1 3.36Å; V133-C137 HydrophobicContact CB-CB 4.45Å; V133-L138 HydrophobicContact CG2-CB 4.38Å; V133-L138 HydrophobicContact CG2-CD1 4.04Å; V133-A141 HydrophobicContact CG1-CB 4.06Å |
| 134 | H | 94.9 | Very high | 90.4 | Very high | 11 Ų | 11 | 17 Ų | 17 | 5% | 0.051 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 152.1 | 160.3 | -58.6 | 119.1 | 0 | 0 | 0 | 109.6 | C111 C114 R117 V121 S123 D136 C137 L138 | C111-H134 VanDerWaalsContact CB-CE1 3.41Å; C111-H134 WeakPolarHBondContact CB-CE1 3.43Å; C111-H134 VanDerWaalsContact CB-ND1 3.3Å; C111-H134 WeakPolarHBondContact CB-ND1 3.36Å; C114-H134 PolarHBondContact SG-CE1 3.13Å; C114-H134 PolarHBondContact SG-ND1 3.03Å; R117-H134 PolarHBondContact O-CE1 2.95Å; R117-H134 PolarHBondContact O-NE2 3.44Å; V121-H134 HydrophobicContact CG1-CB 4.24Å; V121-H134 VanDerWaalsContact CG1-CD2 3.5Å; V121-H134 WeakPolarHBondContact CG1-CD2 3.49Å; S123-H134 PolarHBondContact OG-CD2 3.36Å; S123-H134 VanDerWaalsContact OG-CD2 3.29Å; H134-D136 PolarHBondContact O-N 3.42Å; H134-C137 HydrophobicContact CB-CB 4.03Å; H134-C137 CarbonylContact O-C 3.57Å; H134-C137 WeakPolarHBondContact O-CA 3.27Å; H134-C137 PolarHBondContact O-N 2.93Å; H134-L138 PolarHBondContact O-N 2.85Å; H134-L138 VanDerWaalsContact O-N 3.13Å |
| 135 | V | 92.2 | Very high | 90.3 | Very high | 41 Ų | 41 | 16.7 Ų | 16.7 | 25% | 0.248 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -53 | -44.9 | 172.9 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | P103 L122 M124 C137 L138 | P103-V135 HydrophobicContact CB-CG2 3.82Å; P103-V135 HydrophobicContact CG-CG2 4.06Å; L122-V135 HydrophobicContact CB-CG2 3.97Å; L122-V135 WeakPolarHBondContact O-CG2 3.34Å; L122-V135 PolarHBondContact O-N 2.81Å; M124-V135 HydrophobicContact CE-CB 4.48Å; M124-V135 HydrophobicContact CE-CG2 4.18Å; M124-V135 HydrophobicContact CG-CG2 4.29Å; M124-V135 HydrophobicContact SD-CG2 4.49Å; V135-C137 PolarHBondContact O-N 2.94Å; V135-L138 VanDerWaalsContact O-CB 3.26Å; V135-L138 WeakPolarHBondContact O-CB 3.35Å; V135-L138 PolarHBondContact O-N 3.37Å; V135-L138 VanDerWaalsContact O-N 3.15Å |
| 136 | D | 86.7 | Confident | 90.1 | Very high | 66 Ų | 66 | 15.5 Ų | 15.5 | 35% | 0.353 | 8% | 0.082 | S | C | . | . | G | 310 helix | trans | -68.5 | -20.5 | 179.8 | -50.9 | -17.1 | 0 | 0 | 0 | 113.4 | H134 P255 | H134-D136 PolarHBondContact O-N 3.42Å; D136-P255 HydrophobicContact CB-CB 4.12Å; D136-P255 WeakPolarHBondContact OD1-CB 3.2Å |
| 137 | C | 89.7 | Confident | 89.8 | Confident | 17 Ų | 17 | 18 Ų | 18 | 12% | 0.115 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -93.1 | -7.8 | 178.4 | -70 | 0 | 0 | 0 | 0 | 113 | V113 V133 H134 V135 E139 L140 A141 | V113-C137 HydrophobicContact CB-CB 3.92Å; V113-C137 HydrophobicContact CG1-CB 4.1Å; V113-C137 HydrophobicContact CG2-CB 4.27Å; V133-C137 HydrophobicContact CB-CB 4.45Å; H134-C137 HydrophobicContact CB-CB 4.03Å; H134-C137 CarbonylContact O-C 3.57Å; H134-C137 WeakPolarHBondContact O-CA 3.27Å; H134-C137 PolarHBondContact O-N 2.93Å; V135-C137 PolarHBondContact O-N 2.94Å; C137-E139 VanDerWaalsContact C-N 3.25Å; C137-E139 PolarHBondContact O-N 2.69Å; C137-L140 PolarHBondContact O-N 2.68Å; C137-L140 VanDerWaalsContact O-N 3.08Å; C137-A141 PolarHBondContact O-N 2.89Å |
| 138 | L | 88.4 | Confident | 89.7 | Confident | 30 Ų | 30 | 17.9 Ų | 17.9 | 16% | 0.157 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -55.7 | -40.7 | -173.7 | 175.3 | 62.4 | 0 | 0 | 0 | 112.1 | W100 M124 V133 H134 V135 L140 A141 M251 | W100-L138 HydrophobicContact CD2-CD1 3.75Å; W100-L138 HydrophobicContact CE3-CD1 4.46Å; W100-L138 HydrophobicContact CG-CD1 4.07Å; W100-L138 HydrophobicContact CH2-CD1 4.35Å; W100-L138 HydrophobicContact CZ2-CD1 3.62Å; M124-L138 HydrophobicContact CE-CB 3.63Å; M124-L138 HydrophobicContact CE-CD1 3.84Å; M124-L138 HydrophobicContact CE-CD2 3.29Å; M124-L138 HydrophobicContact CE-CG 3.72Å; M124-L138 HydrophobicContact SD-CD2 4.31Å; V133-L138 HydrophobicContact CG2-CB 4.38Å; V133-L138 HydrophobicContact CG2-CD1 4.04Å; H134-L138 PolarHBondContact O-N 2.85Å; H134-L138 VanDerWaalsContact O-N 3.13Å; V135-L138 VanDerWaalsContact O-CB 3.26Å; V135-L138 WeakPolarHBondContact O-CB 3.35Å; V135-L138 PolarHBondContact O-N 3.37Å; V135-L138 VanDerWaalsContact O-N 3.15Å; L138-L140 PolarHBondContact O-N 3.32Å; L138-L140 VanDerWaalsContact O-N 3.15Å; L138-A141 HydrophobicContact CD1-CB 4.43Å; L138-A141 WeakPolarHBondContact O-CB 3.41Å; L138-A141 PolarHBondContact O-N 3.33Å; L138-M251 HydrophobicContact CD2-CE 3.88Å |
| 139 | E | 79.2 | Confident | 89.5 | Confident | 51 Ų | 51 | 19.3 Ų | 19.3 | 24% | 0.238 | 10% | 0.104 | C | C | . | . | G | 310 helix | trans | -64.4 | -19.2 | -178.1 | 60 | 165.5 | -173.4 | 0 | 0 | 114.3 | C137 R295 K454 | C137-E139 VanDerWaalsContact C-N 3.25Å; C137-E139 PolarHBondContact O-N 2.69Å; E139-R295 VanDerWaalsContact CD-NH2 3.3Å; E139-R295 IonicContact OE1-CZ 3.26Å; E139-R295 VanDerWaalsContact OE1-CZ 3.26Å; E139-R295 IonicContact OE1-NH1 3.66Å; E139-R295 PolarHBondContact OE1-NH1 2.93Å; E139-R295 IonicContact OE1-NH2 3.86Å; E139-R295 PolarHBondContact OE1-NH2 3.09Å; E139-R295 IonicContact OE2-NH2 3.42Å; E139-R295 PolarHBondContact OE2-NH2 2.82Å; E139-K454 IonicContact OE2-NZ 3.2Å; E139-K454 PolarHBondContact OE2-NZ 3.41Å |
| 140 | L | 81.7 | Confident | 89.2 | Confident | 36 Ų | 36 | 20.3 Ų | 20.3 | 19% | 0.188 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -103.3 | 4.3 | 176.5 | -56.2 | 177.4 | 0 | 0 | 0 | 111.7 | V113 C137 L138 V142 H317 | V113-L140 HydrophobicContact CG1-CB 3.62Å; V113-L140 HydrophobicContact CG1-CD1 3.97Å; V113-L140 HydrophobicContact CG1-CG 4.44Å; V113-L140 HydrophobicContact CG2-CB 4.37Å; C137-L140 PolarHBondContact O-N 2.68Å; C137-L140 VanDerWaalsContact O-N 3.08Å; L138-L140 PolarHBondContact O-N 3.32Å; L138-L140 VanDerWaalsContact O-N 3.15Å; L140-V142 PolarHBondContact O-N 2.96Å; L140-H317 VanDerWaalsContact CD1-NE2 3.27Å; L140-H317 WeakPolarHBondContact CD1-NE2 3.17Å; L140-H317 VanDerWaalsContact CD2-CD2 3.43Å; L140-H317 WeakPolarHBondContact CD2-CD2 3.25Å |
| 141 | A | 88.1 | Confident | 88.9 | Confident | 3 Ų | 3 | 19.5 Ų | 19.5 | 3% | 0.025 | 11% | 0.106 | C | C | . | . | trans | -62.5 | 132.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | W100 Y131 V133 C137 L138 S143 | W100-A141 HydrophobicContact CH2-CB 4.13Å; W100-A141 HydrophobicContact CZ2-CB 3.76Å; Y131-A141 HydrophobicContact CE1-CB 4.23Å; V133-A141 HydrophobicContact CG1-CB 4.06Å; C137-A141 PolarHBondContact O-N 2.89Å; L138-A141 HydrophobicContact CD1-CB 4.43Å; L138-A141 WeakPolarHBondContact O-CB 3.41Å; L138-A141 PolarHBondContact O-N 3.33Å; A141-S143 PolarHBondContact O-N 3.05Å | ||
| 142 | V | 87.5 | Confident | 88 | Confident | 4 Ų | 4 | 20.1 Ų | 20.1 | 2% | 0.024 | 11% | 0.11 | C | C | . | . | trans | -76.3 | 119.5 | 179.2 | -179.7 | 0 | 0 | 0 | 0 | 107.7 | M1 A88 I92 H98 Y131 L140 D144 | M1-V142 HydrophobicContact CG-CG1 4.38Å; M1-V142 HydrophobicContact SD-CG1 4.4Å; A88-V142 HydrophobicContact CB-CG2 3.63Å; I92-V142 HydrophobicContact CD1-CB 4.36Å; I92-V142 HydrophobicContact CD1-CG1 3.3Å; I92-V142 HydrophobicContact CG1-CG1 3.55Å; H98-V142 PolarHBondContact CD2-O 2.86Å; H98-V142 PolarHBondContact NE2-O 3.22Å; Y131-V142 HydrophobicContact CE2-CB 4.38Å; Y131-V142 PolarHBondContact OH-N 3.46Å; Y131-V142 VanDerWaalsContact OH-N 3.1Å; L140-V142 PolarHBondContact O-N 2.96Å; V142-D144 HydrophobicContact CG1-CB 3.9Å; V142-D144 PolarHBondContact O-N 2.74Å; V142-D144 VanDerWaalsContact O-OD1 3.09Å | ||
| 143 | S | 87.2 | Confident | 86.9 | Confident | 4 Ų | 4 | 23.1 Ų | 23.1 | 3% | 0.028 | 13% | 0.132 | C | C | . | . | trans | -73.3 | 66 | 176.8 | -62.1 | 0 | 0 | 0 | 0 | 112.1 | P95 V96 A141 L426 S427 | P95-S143 CarbonylContact C-O 3.49Å; P95-S143 WeakPolarHBondContact CA-O 3.43Å; V96-S143 PolarHBondContact N-O 3.07Å; V96-S143 CarbonylContact O-C 3.46Å; A141-S143 PolarHBondContact O-N 3.05Å; S143-L426 WeakPolarHBondContact CB-O 3.42Å; S143-L426 PolarHBondContact OG-O 3.32Å; S143-S427 PolarHBondContact OG-O 3.43Å | ||
| 144 | D | 88.4 | Confident | 85.7 | Confident | 6 Ų | 6 | 27.1 Ų | 27.1 | 3% | 0.032 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -122.2 | 43.4 | -179.3 | 69.8 | -6.7 | 0 | 0 | 0 | 111 | M1 A2 H98 Y131 V142 H165 R167 | M1-D144 WeakPolarHBondContact CA-OD2 3.29Å; A2-D144 HydrophobicContact CB-CB 4.22Å; A2-D144 PolarHBondContact N-OD2 3.05Å; H98-D144 IonicContact CE1-OD1 3.49Å; H98-D144 IonicContact NE2-OD1 3.76Å; Y131-D144 WeakPolarHBondContact CE2-OD1 3.46Å; V142-D144 HydrophobicContact CG1-CB 3.9Å; V142-D144 PolarHBondContact O-N 2.74Å; V142-D144 VanDerWaalsContact O-OD1 3.09Å; D144-H165 PolarHBondContact O-CE1 3.27Å; D144-H165 PolarHBondContact O-NE2 2.83Å; D144-R167 PolarHBondContact O-NH2 2.93Å; D144-R167 IonicContact OD1-CZ 3.21Å; D144-R167 VanDerWaalsContact OD1-CZ 3.24Å; D144-R167 IonicContact OD1-NH1 3.83Å; D144-R167 PolarHBondContact OD1-NH1 2.77Å; D144-R167 IonicContact OD1-NH2 3.55Å; D144-R167 PolarHBondContact OD1-NH2 2.77Å; D144-R167 IonicContact OD2-CZ 3.85Å; D144-R167 IonicContact OD2-NH1 2.81Å; D144-R167 PolarHBondContact OD2-NH1 2.99Å; D144-R167 IonicContact OD2-NH2 2.73Å |
| 145 | C | 91.1 | Very high | 84.5 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 3% | 0.027 | 17% | 0.172 | C | C | . | . | trans | -63.4 | 168 | 171.8 | -161.2 | 0 | 0 | 0 | 0 | 110.9 | V96 A97 H98 E147 H165 | V96-C145 HydrophobicContact CB-CB 4.12Å; V96-C145 WeakPolarHBondContact CB-O 3.48Å; V96-C145 HydrophobicContact CG1-CB 3.87Å; V96-C145 WeakPolarHBondContact O-CB 3.39Å; V96-C145 PolarHBondContact O-N 3.18Å; V96-C145 VanDerWaalsContact O-N 3.08Å; A97-C145 WeakPolarHBondContact O-CB 3.46Å; H98-C145 PolarHBondContact CE1-N 3.24Å; H98-C145 WeakPolarHBondContact ND1-CB 3.39Å; C145-E147 PolarHBondContact O-N 3.27Å; C145-H165 PolarHBondContact O-CE1 2.77Å | ||
| 146 | R | 90.4 | Very high | 83.5 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | trans | -66.8 | 128 | 179.2 | -75.2 | -169.4 | -73 | 158.4 | 24.6 | 110.9 | V128 C129 A148 H165 E196 W197 R586 K587 L589 | V128-R146 PolarHBondContact O-NE 3.21Å; V128-R146 PolarHBondContact O-NH2 3.35Å; C129-R146 HydrophobicContact CB-CG 4.45Å; R146-A148 PolarHBondContact O-N 3.02Å; R146-H165 HydrophobicContact CG-CB 4.44Å; R146-E196 WeakPolarHBondContact CD-O 3.27Å; R146-E196 HydrophobicContact CG-CB 3.87Å; R146-E196 PolarHBondContact NH1-O 3.45Å; R146-W197 HydrophobicContact CB-CH2 4.48Å; R146-W197 HydrophobicContact CB-CZ2 3.84Å; R146-W197 HydrophobicContact CG-CZ2 4.29Å; R146-R586 PolarHBondContact NH2-O 2.75Å; R146-K587 PolarHBondContact NH1-O 3.37Å; R146-K587 VanDerWaalsContact NH1-O 3.1Å; R146-K587 PolarHBondContact NH2-O 2.87Å; R146-L589 PolarHBondContact NH1-O 3.08Å; R146-L589 PolarHBondContact NH2-O 2.98Å; R146-L589 VanDerWaalsContact NH2-O 3.08Å | ||
| 147 | E | 87.9 | Confident | 82.8 | Confident | 53 Ų | 53 | 33.8 Ų | 33.8 | 25% | 0.248 | 19% | 0.193 | C | C | . | . | trans | -67.9 | 96.5 | 169.9 | -67.9 | -179 | -118.6 | 0 | 0 | 109.9 | V96 C145 T150 W197 P226 | V96-E147 HydrophobicContact CG2-CG 3.51Å; C145-E147 PolarHBondContact O-N 3.27Å; E147-T150 HydrophobicContact CB-CG2 3.48Å; E147-T150 VanDerWaalsContact CB-CG2 3.48Å; E147-T150 HydrophobicContact CG-CG2 4.39Å; E147-W197 WeakPolarHBondContact O-CZ2 3.34Å; E147-P226 VanDerWaalsContact O-CB 3.3Å; E147-P226 WeakPolarHBondContact O-CB 3.4Å; E147-P226 WeakPolarHBondContact O-CG 3.42Å | ||
| 148 | A | 90.6 | Very high | 81.8 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | trans | -84 | -16.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | R146 L229 N590 P591 F592 | R146-A148 PolarHBondContact O-N 3.02Å; A148-L229 WeakPolarHBondContact O-CD2 3.5Å; A148-N590 PolarHBondContact O-ND2 3.41Å; A148-P591 HydrophobicContact CB-CG 3.58Å; A148-F592 HydrophobicContact CB-CD2 3.83Å; A148-F592 HydrophobicContact CB-CE2 3.81Å | ||
| 149 | S | 88.8 | Confident | 81 | Confident | 32 Ų | 32 | 40.8 Ų | 40.8 | 22% | 0.224 | 24% | 0.237 | C | C | . | . | trans | -136.2 | 124.1 | 174.6 | 101.7 | 0 | 0 | 0 | 0 | 108 | L229 T231 | S149-L229 WeakPolarHBondContact CB-O 3.26Å; S149-T231 PolarHBondContact OG-N 3.45Å; S149-T231 PolarHBondContact OG-OG1 3.03Å | ||
| 150 | T | 85.8 | Confident | 80.8 | Confident | 20 Ų | 20 | 39 Ų | 39 | 12% | 0.123 | 23% | 0.228 | C | C | . | . | trans | -143.9 | 10.9 | -175 | 68.3 | 0 | 0 | 0 | 0 | 112.8 | E147 I152 P226 N227 L229 R382 | E147-T150 HydrophobicContact CB-CG2 3.48Å; E147-T150 VanDerWaalsContact CB-CG2 3.48Å; E147-T150 HydrophobicContact CG-CG2 4.39Å; T150-I152 PolarHBondContact O-N 3.19Å; T150-P226 HydrophobicContact CG2-CB 4.02Å; T150-P226 PolarHBondContact N-O 3.25Å; T150-N227 WeakPolarHBondContact OG1-CA 3.49Å; T150-N227 PolarHBondContact OG1-N 3.26Å; T150-L229 PolarHBondContact N-O 2.85Å; T150-R382 PolarHBondContact O-NH2 3.41Å; T150-R382 PolarHBondContact OG1-NH2 3.18Å; T150-R382 VanDerWaalsContact OG1-NH2 3.09Å | ||
| 151 | F | 84.4 | Confident | 80.8 | Confident | 13 Ų | 13 | 44.8 Ų | 44.8 | 6% | 0.057 | 25% | 0.248 | C | C | . | . | trans | -58.3 | 132.2 | 177.5 | 172.7 | -94.7 | 0 | 0 | 0 | 110.8 | N227 L229 T230 Q554 M557 | F151-N227 WeakPolarHBondContact CB-O 3.46Å; F151-N227 VanDerWaalsContact CD2-O 3.32Å; F151-N227 WeakPolarHBondContact CD2-O 3.28Å; F151-L229 WeakPolarHBondContact CB-O 3Å; F151-L229 PolarHBondContact N-O 3.39Å; F151-T230 HydrophobicContact CB-CG2 3.64Å; F151-T230 HydrophobicContact CD1-CG2 3.23Å; F151-T230 HydrophobicContact CE1-CG2 4.12Å; F151-T230 HydrophobicContact CG-CG2 3.74Å; F151-Q554 HydrophobicContact CD1-CG 4.18Å; F151-Q554 HydrophobicContact CD2-CB 4.28Å; F151-Q554 HydrophobicContact CD2-CG 3.83Å; F151-Q554 HydrophobicContact CE1-CG 4.13Å; F151-Q554 HydrophobicContact CE2-CB 4.19Å; F151-Q554 HydrophobicContact CE2-CG 3.81Å; F151-Q554 HydrophobicContact CG-CG 3.99Å; F151-Q554 HydrophobicContact CZ-CG 3.94Å; F151-M557 HydrophobicContact CD2-CE 4.24Å; F151-M557 HydrophobicContact CD2-CG 3.88Å; F151-M557 HydrophobicContact CD2-SD 4.34Å; F151-M557 HydrophobicContact CE2-CE 4.39Å; F151-M557 HydrophobicContact CE2-CG 3.75Å; F151-M557 HydrophobicContact CE2-SD 3.98Å | ||
| 152 | I | 75.3 | Confident | 80.8 | Confident | 20 Ų | 20 | 46.3 Ų | 46.3 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | trans | -124.8 | 122.8 | 173.4 | -61.5 | 179.4 | 0 | 0 | 0 | 107.3 | T150 S154 L155 Q160 R382 | T150-I152 PolarHBondContact O-N 3.19Å; I152-S154 VanDerWaalsContact CG2-OG 3.23Å; I152-S154 WeakPolarHBondContact CG2-OG 3.46Å; I152-L155 HydrophobicContact CB-CB 4.35Å; I152-L155 HydrophobicContact CB-CD1 4.01Å; I152-L155 HydrophobicContact CB-CG 4.17Å; I152-L155 HydrophobicContact CD1-CD1 3.88Å; I152-L155 HydrophobicContact CG1-CD1 4.49Å; I152-L155 HydrophobicContact CG2-CB 4.29Å; I152-L155 HydrophobicContact CG2-CD1 4.05Å; I152-L155 HydrophobicContact CG2-CG 3.82Å; I152-L155 PolarHBondContact O-N 2.87Å; I152-Q160 PolarHBondContact O-NE2 2.77Å; I152-R382 HydrophobicContact CD1-CB 4.28Å; I152-R382 VanDerWaalsContact CD1-CD 3.49Å; I152-R382 HydrophobicContact CD1-CG 3.5Å; I152-R382 VanDerWaalsContact CD1-CG 3.5Å; I152-R382 VanDerWaalsContact CD1-NE 3.28Å | ||
| 153 | S | 72 | Confident | 80.9 | Confident | 70 Ų | 70 | 49.5 Ų | 49.5 | 49% | 0.49 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -34.4 | -175.9 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | L155 | S153-L155 VanDerWaalsContact C-N 3.28Å; S153-L155 PolarHBondContact O-N 2.91Å |
| 154 | S | 68.9 | Low | 81.1 | Confident | 84 Ų | 84 | 49.7 Ų | 49.7 | 59% | 0.587 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -12.1 | -178.8 | 55.7 | 0 | 0 | 0 | 0 | 114.3 | I152 | I152-S154 VanDerWaalsContact CG2-OG 3.23Å; I152-S154 WeakPolarHBondContact CG2-OG 3.46Å |
| 155 | L | 70.4 | Confident | 81.3 | Confident | 57 Ų | 57 | 50 Ų | 50 | 30% | 0.298 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -100.2 | 131.5 | -179.5 | -68.3 | -179.6 | 0 | 0 | 0 | 111.7 | I152 S153 Q160 R382 | I152-L155 HydrophobicContact CB-CB 4.35Å; I152-L155 HydrophobicContact CB-CD1 4.01Å; I152-L155 HydrophobicContact CB-CG 4.17Å; I152-L155 HydrophobicContact CD1-CD1 3.88Å; I152-L155 HydrophobicContact CG1-CD1 4.49Å; I152-L155 HydrophobicContact CG2-CB 4.29Å; I152-L155 HydrophobicContact CG2-CD1 4.05Å; I152-L155 HydrophobicContact CG2-CG 3.82Å; I152-L155 PolarHBondContact O-N 2.87Å; S153-L155 VanDerWaalsContact C-N 3.28Å; S153-L155 PolarHBondContact O-N 2.91Å; L155-Q160 HydrophobicContact CB-CG 3.94Å; L155-Q160 HydrophobicContact CD1-CG 4.33Å; L155-Q160 PolarHBondContact O-NE2 3.37Å; L155-R382 HydrophobicContact CD1-CB 4.36Å |
| 156 | E | 71 | Confident | 81.3 | Confident | 135 Ų | 135 | 50 Ų | 50 | 63% | 0.631 | 27% | 0.27 | S | S | * | . | trans | -59.7 | 141.1 | 173.7 | -70.6 | -178.6 | -178.8 | 0 | 0 | 111.4 | T158 T159 | E156-T158 PolarHBondContact O-N 3.32Å; E156-T158 VanDerWaalsContact O-N 3.12Å; E156-T159 HydrophobicContact CB-CG2 4.1Å; E156-T159 PolarHBondContact O-N 2.92Å; E156-T159 PolarHBondContact O-OG1 3.12Å | ||
| 157 | P | 71.4 | Confident | 81.3 | Confident | 65 Ų | 65 | 50 Ų | 50 | 42% | 0.422 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -54 | -37.5 | -175.8 | -26 | 33.1 | 0 | 0 | 0 | 114.4 | T159 Q160 M557 | P157-T159 VanDerWaalsContact C-N 3.26Å; P157-T159 PolarHBondContact O-N 2.9Å; P157-Q160 PolarHBondContact O-N 2.98Å; P157-M557 HydrophobicContact CB-CE 3.96Å; P157-M557 HydrophobicContact CB-SD 3.83Å; P157-M557 HydrophobicContact CG-CE 4.37Å; P157-M557 HydrophobicContact CG-SD 3.72Å |
| 158 | T | 69.3 | Low | 81.4 | Confident | 120 Ų | 120 | 48 Ų | 48 | 74% | 0.736 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -68.6 | -21.9 | -179.1 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | E156 | E156-T158 PolarHBondContact O-N 3.32Å; E156-T158 VanDerWaalsContact O-N 3.12Å |
| 159 | T | 71.4 | Confident | 81.4 | Confident | 75 Ų | 75 | 47.9 Ų | 47.9 | 46% | 0.46 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -84.8 | -20.4 | 179.6 | 67.2 | 0 | 0 | 0 | 0 | 112.7 | E156 P157 R161 | E156-T159 HydrophobicContact CB-CG2 4.1Å; E156-T159 PolarHBondContact O-N 2.92Å; E156-T159 PolarHBondContact O-OG1 3.12Å; P157-T159 VanDerWaalsContact C-N 3.26Å; P157-T159 PolarHBondContact O-N 2.9Å; T159-R161 PolarHBondContact O-N 2.92Å; T159-R161 VanDerWaalsContact O-N 3.12Å |
| 160 | Q | 75.8 | Confident | 81.5 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | trans | -82.8 | 93.8 | -175.4 | -60.4 | -170.5 | 32.6 | 0 | 0 | 111 | I152 L155 P157 N227 | I152-Q160 PolarHBondContact O-NE2 2.77Å; L155-Q160 HydrophobicContact CB-CG 3.94Å; L155-Q160 HydrophobicContact CD1-CG 4.33Å; L155-Q160 PolarHBondContact O-NE2 3.37Å; P157-Q160 PolarHBondContact O-N 2.98Å; Q160-N227 HydrophobicContact CB-CB 4.4Å | ||
| 161 | R | 80.6 | Confident | 81.8 | Confident | 159 Ų | 159 | 46.9 Ų | 46.9 | 60% | 0.6 | 25% | 0.25 | S | S | * | . | P | Polyproline II helix | trans | -87.8 | 142.8 | 175.5 | -59.6 | -171.2 | -175.6 | -167.6 | 5.9 | 112.1 | T159 D213 | T159-R161 PolarHBondContact O-N 2.92Å; T159-R161 VanDerWaalsContact O-N 3.12Å; R161-D213 IonicContact NH1-OD2 2.72Å; R161-D213 PolarHBondContact NH1-OD2 2.89Å |
| 162 | Q | 89 | Confident | 82.1 | Confident | 35 Ų | 35 | 48.5 Ų | 48.5 | 16% | 0.164 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -88.7 | 124.3 | 170.5 | 177.7 | 65.3 | 36.7 | 0 | 0 | 109.4 | D213 C214 F216 | Q162-D213 CarbonylContact O-C 3.59Å; Q162-D213 WeakPolarHBondContact O-CA 3.44Å; Q162-C214 HydrophobicContact CG-CB 4.09Å; Q162-C214 PolarHBondContact O-N 2.94Å; Q162-F216 HydrophobicContact CB-CE2 4.48Å; Q162-F216 HydrophobicContact CB-CZ 4.04Å; Q162-F216 HydrophobicContact CG-CE1 3.66Å; Q162-F216 HydrophobicContact CG-CE2 4.26Å; Q162-F216 HydrophobicContact CG-CZ 3.5Å |
| 163 | H | 89.4 | Confident | 82.7 | Confident | 71 Ų | 71 | 51.8 Ų | 51.8 | 33% | 0.329 | 29% | 0.287 | S | S | . | . | B | Isolated β-bridge | trans | -96.6 | 158.1 | 173.5 | -62.8 | 157 | 0 | 0 | 0 | 112.5 | V4 T212 D213 | V4-H163 HydrophobicContact CG1-CB 4.09Å; V4-H163 VanDerWaalsContact CG1-ND1 3.32Å; V4-H163 WeakPolarHBondContact CG1-ND1 3.21Å; H163-T212 VanDerWaalsContact CA-O 3.29Å; H163-T212 WeakPolarHBondContact CA-O 3.33Å; H163-D213 IonicContact CD2-OD1 3.6Å; H163-D213 IonicContact NE2-OD1 3.29Å |
| 164 | H | 92.4 | Very high | 83.6 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 3% | 0.032 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 140.6 | 170 | -70.3 | -69.2 | 0 | 0 | 0 | 111.8 | W166 C195 C198 M200 S211 T212 D213 C214 | H164-W166 HydrophobicContact CB-CD2 4.47Å; H164-W166 HydrophobicContact CB-CZ2 4.15Å; H164-W166 VanDerWaalsContact CB-NE1 3.34Å; H164-W166 AromaticContact CG-CZ2 3.98Å; H164-C195 HydrophobicContact CB-CB 4.45Å; H164-C195 PolarHBondContact ND1-SG 3.17Å; H164-C198 PolarHBondContact CE1-SG 2.65Å; H164-C198 PolarHBondContact ND1-SG 3.2Å; H164-M200 WeakPolarHBondContact CE1-CE 3.27Å; H164-S211 PolarHBondContact CD2-O 2.97Å; H164-T212 PolarHBondContact CD2-O 2.89Å; H164-T212 PolarHBondContact N-O 3.39Å; H164-D213 PolarHBondContact NE2-O 3.15Å; H164-D213 VanDerWaalsContact NE2-O 3.09Å; H164-C214 HydrophobicContact CB-CB 4.32Å; H164-C214 VanDerWaalsContact ND1-CB 3.34Å; H164-C214 WeakPolarHBondContact ND1-CB 3.36Å |
| 165 | H | 92 | Very high | 84.8 | Confident | 14 Ų | 14 | 50.9 Ų | 50.9 | 7% | 0.065 | 27% | 0.271 | C | S | . | . | trans | -105.9 | 94.4 | 171.5 | -165.7 | 94.2 | 0 | 0 | 0 | 110.5 | A2 D144 C145 R146 R167 C195 E196 | A2-H165 WeakPolarHBondContact CB-CE1 3.47Å; A2-H165 WeakPolarHBondContact CB-NE2 3.35Å; D144-H165 PolarHBondContact O-CE1 3.27Å; D144-H165 PolarHBondContact O-NE2 2.83Å; C145-H165 PolarHBondContact O-CE1 2.77Å; R146-H165 HydrophobicContact CG-CB 4.44Å; H165-R167 PolarHBondContact NE2-NH2 3.21Å; H165-C195 PolarHBondContact N-SG 3.24Å; H165-C195 CarbonylContact O-C 3.58Å; H165-C195 WeakPolarHBondContact O-CA 3.32Å; H165-E196 HydrophobicContact CB-CB 4.31Å; H165-E196 PolarHBondContact O-N 3.01Å | ||
| 166 | W | 90.8 | Very high | 86 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 131.7 | -171.5 | -67.3 | 104.3 | 0 | 0 | 0 | 113.7 | M1 A2 H164 M193 R194 C195 M200 F207 I210 | M1-W166 CarbonylContact C-O 3.53Å; M1-W166 VanDerWaalsContact C-O 3.28Å; A2-W166 WeakPolarHBondContact CA-O 3.43Å; A2-W166 PolarHBondContact N-O 2.8Å; H164-W166 HydrophobicContact CB-CD2 4.47Å; H164-W166 HydrophobicContact CB-CZ2 4.15Å; H164-W166 VanDerWaalsContact CB-NE1 3.34Å; H164-W166 AromaticContact CG-CZ2 3.98Å; W166-M193 HydrophobicContact CB-CE 3.77Å; W166-M193 HydrophobicContact CE3-CB 3.73Å; W166-M193 HydrophobicContact CZ3-CB 4.23Å; W166-R194 CarbonylContact C-O 3.58Å; W166-R194 WeakPolarHBondContact CA-O 3.3Å; W166-R194 VanDerWaalsContact CE3-C 3.46Å; W166-C195 HydrophobicContact CE3-CB 4.24Å; W166-C195 HydrophobicContact CH2-CB 4.34Å; W166-C195 HydrophobicContact CZ3-CB 4.13Å; W166-M200 HydrophobicContact CH2-CB 4.43Å; W166-M200 HydrophobicContact CH2-CG 4.45Å; W166-M200 HydrophobicContact CH2-SD 4.41Å; W166-M200 WeakPolarHBondContact CZ3-O 3.07Å; W166-F207 HydrophobicContact CD2-CD2 4.13Å; W166-F207 HydrophobicContact CG-CD2 4.18Å; W166-F207 HydrophobicContact CG-CE2 4.46Å; W166-F207 HydrophobicContact CH2-CB 4.45Å; W166-F207 HydrophobicContact CZ2-CB 4.45Å; W166-F207 AromaticContact NE1-CD2 3.93Å; W166-I210 HydrophobicContact CH2-CD1 3.61Å; W166-I210 HydrophobicContact CZ2-CB 4.48Å; W166-I210 HydrophobicContact CZ2-CD1 3.91Å; W166-I210 HydrophobicContact CZ2-CG2 4.29Å |
| 167 | R | 90.7 | Very high | 87.1 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140 | 172.9 | -170.6 | 62.6 | 60.1 | -159.7 | -3 | 109.9 | Y131 D144 H165 M193 R194 E196 | Y131-R167 VanDerWaalsContact CD2-CZ 3.43Å; D144-R167 PolarHBondContact O-NH2 2.93Å; D144-R167 IonicContact OD1-CZ 3.21Å; D144-R167 VanDerWaalsContact OD1-CZ 3.24Å; D144-R167 IonicContact OD1-NH1 3.83Å; D144-R167 PolarHBondContact OD1-NH1 2.77Å; D144-R167 IonicContact OD1-NH2 3.55Å; D144-R167 PolarHBondContact OD1-NH2 2.77Å; D144-R167 IonicContact OD2-CZ 3.85Å; D144-R167 IonicContact OD2-NH1 2.81Å; D144-R167 PolarHBondContact OD2-NH1 2.99Å; D144-R167 IonicContact OD2-NH2 2.73Å; H165-R167 PolarHBondContact NE2-NH2 3.21Å; R167-M193 CarbonylContact O-C 3.48Å; R167-M193 VanDerWaalsContact O-CA 3.26Å; R167-M193 WeakPolarHBondContact O-CA 3.47Å; R167-R194 PolarHBondContact N-O 3.08Å; R167-R194 PolarHBondContact O-N 3.45Å; R167-E196 HydrophobicContact CB-CG 3.87Å; R167-E196 WeakPolarHBondContact CB-OE1 3.19Å |
| 168 | E | 89.4 | Confident | 88.2 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 134.4 | 179.9 | -176.3 | 179.7 | -162.6 | 0 | 0 | 110.2 | S82 L112 R115 G192 M193 | S82-E168 PolarHBondContact OG-OE1 2.79Å; S82-E168 VanDerWaalsContact OG-OE1 3.08Å; L112-E168 WeakPolarHBondContact CD2-O 3.3Å; R115-E168 IonicContact CZ-OE1 2.69Å; R115-E168 IonicContact CZ-OE2 2.89Å; R115-E168 VanDerWaalsContact NH1-CD 3.3Å; R115-E168 IonicContact NH1-OE1 3.54Å; R115-E168 PolarHBondContact NH1-OE1 3.36Å; R115-E168 IonicContact NH1-OE2 3.92Å; R115-E168 PolarHBondContact NH1-OE2 2.92Å; R115-E168 IonicContact NH2-OE1 3.61Å; R115-E168 PolarHBondContact NH2-OE1 3.28Å; R115-E168 IonicContact NH2-OE2 2.65Å; R115-E168 PolarHBondContact NH2-OE2 3.44Å; E168-G192 CarbonylContact C-O 3.56Å; E168-G192 WeakPolarHBondContact CA-O 3.45Å; E168-M193 HydrophobicContact CB-SD 3.96Å; E168-M193 HydrophobicContact CG-SD 4.24Å |
| 169 | G | 90.2 | Very high | 89.4 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 80.5 | -166.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | L171 A191 G192 | G169-L171 WeakPolarHBondContact O-CD2 3.45Å; G169-L171 PolarHBondContact O-N 3.21Å; G169-A191 WeakPolarHBondContact CA-O 3.42Å; G169-G192 PolarHBondContact N-O 3.33Å |
| 170 | H | 91 | Very high | 90.4 | Very high | 25 Ų | 25 | 40.3 Ų | 40.3 | 12% | 0.116 | 21% | 0.208 | C | C | . | . | trans | 52.3 | 22.2 | 179.6 | -52.4 | 102.9 | 0 | 0 | 0 | 116 | F110 Y132 L190 | F110-H170 PolarHBondContact N-NE2 2.96Å; F110-H170 VanDerWaalsContact N-NE2 3.17Å; F110-H170 PolarHBondContact O-CE1 3.41Å; F110-H170 PolarHBondContact O-NE2 3.12Å; Y132-H170 AromaticContact CD2-CD2 3.84Å; Y132-H170 AromaticContact CD2-CE1 3.38Å; Y132-H170 WeakPolarHBondContact CD2-CE1 3.47Å; Y132-H170 AromaticContact CD2-CG 3.91Å; Y132-H170 AromaticContact CD2-ND1 3.68Å; Y132-H170 AromaticContact CD2-NE2 3.46Å; Y132-H170 WeakPolarHBondContact CD2-NE2 3.38Å; Y132-H170 HydrophobicContact CE2-CB 4.37Å; Y132-H170 AromaticContact CE2-CG 3.93Å; Y132-H170 AromaticContact CG-NE2 3.92Å; H170-L190 VanDerWaalsContact CE1-CD2 3.45Å; H170-L190 WeakPolarHBondContact CE1-CD2 3.43Å | ||
| 171 | L | 92.7 | Very high | 91.3 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | trans | -62.1 | 149.6 | 179.9 | -51.3 | -171.2 | 0 | 0 | 0 | 111.3 | G169 S175 C184 Y185 R194 T201 | G169-L171 WeakPolarHBondContact O-CD2 3.45Å; G169-L171 PolarHBondContact O-N 3.21Å; L171-S175 WeakPolarHBondContact CB-OG 3.47Å; L171-C184 HydrophobicContact CD1-CB 4.43Å; L171-C184 WeakPolarHBondContact CD1-O 3.37Å; L171-Y185 HydrophobicContact CB-CD2 4.12Å; L171-Y185 WeakPolarHBondContact O-CD2 3.26Å; L171-Y185 WeakPolarHBondContact O-CE2 3.44Å; L171-R194 HydrophobicContact CD2-CB 3.52Å; L171-R194 HydrophobicContact CD2-CG 4.36Å; L171-T201 HydrophobicContact CD1-CG2 4.42Å; L171-T201 HydrophobicContact CD2-CG2 3.95Å | ||
| 172 | P | 90.1 | Very high | 91.9 | Very high | 48 Ų | 48 | 45.3 Ų | 45.3 | 31% | 0.312 | 23% | 0.234 | S | C | . | . | trans | -57 | 149.8 | 165.2 | -27.4 | 34.7 | 0 | 0 | 0 | 112.4 | N174 S175 Y185 | P172-N174 VanDerWaalsContact CB-OD1 3.27Å; P172-N174 WeakPolarHBondContact CB-OD1 3.3Å; P172-N174 PolarHBondContact O-N 3.45Å; P172-N174 VanDerWaalsContact O-N 3.14Å; P172-S175 VanDerWaalsContact CD-OG 3.27Å; P172-S175 WeakPolarHBondContact CD-OG 3.49Å; P172-S175 VanDerWaalsContact O-CB 3.23Å; P172-S175 WeakPolarHBondContact O-CB 3.25Å; P172-S175 PolarHBondContact O-N 2.87Å; P172-S175 PolarHBondContact O-OG 3.13Å; P172-Y185 WeakPolarHBondContact O-CB 3.45Å | ||
| 173 | S | 89.2 | Confident | 92 | Very high | 88 Ų | 88 | 47.9 Ų | 47.9 | 62% | 0.615 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.7 | -174.8 | 57.4 | 0 | 0 | 0 | 0 | 114.9 | Y185 | S173-Y185 VanDerWaalsContact CA-CD1 3.48Š|
| 174 | N | 90.2 | Very high | 92.2 | Very high | 126 Ų | 126 | 44.6 Ų | 44.6 | 67% | 0.674 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 7.7 | 176.2 | 63.3 | -17.5 | 0 | 0 | 0 | 113.8 | P172 K176 | P172-N174 VanDerWaalsContact CB-OD1 3.27Å; P172-N174 WeakPolarHBondContact CB-OD1 3.3Å; P172-N174 PolarHBondContact O-N 3.45Å; P172-N174 VanDerWaalsContact O-N 3.14Å; N174-K176 PolarHBondContact O-N 3.41Å |
| 175 | S | 93.9 | Very high | 92.1 | Very high | 9 Ų | 9 | 48 Ų | 48 | 6% | 0.063 | 25% | 0.25 | C | C | . | . | trans | -66.3 | 129.3 | -175.3 | -59.4 | 0 | 0 | 0 | 0 | 113 | L171 P172 T183 C184 | L171-S175 WeakPolarHBondContact CB-OG 3.47Å; P172-S175 VanDerWaalsContact CD-OG 3.27Å; P172-S175 WeakPolarHBondContact CD-OG 3.49Å; P172-S175 VanDerWaalsContact O-CB 3.23Å; P172-S175 WeakPolarHBondContact O-CB 3.25Å; P172-S175 PolarHBondContact O-N 2.87Å; P172-S175 PolarHBondContact O-OG 3.13Å; S175-T183 WeakPolarHBondContact O-CA 3.42Å; S175-C184 PolarHBondContact O-N 2.97Å; S175-C184 VanDerWaalsContact O-N 3.15Å | ||
| 176 | K | 94.7 | Very high | 92 | Very high | 139 Ų | 139 | 48.3 Ų | 48.3 | 60% | 0.604 | 25% | 0.254 | S | S | * | . | B | Isolated β-bridge | trans | -118.9 | 137 | 177.2 | -64.2 | -177.3 | -177 | -178.9 | 0 | 110.5 | N174 A178 T201 | N174-K176 PolarHBondContact O-N 3.41Å; K176-A178 PolarHBondContact O-N 3.35Å; K176-T201 PolarHBondContact O-OG1 3.29Å |
| 177 | C | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -63 | 128 | 178.6 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | V179 K181 K182 C184 T201 H203 C206 | C177-V179 PolarHBondContact O-N 2.96Å; C177-V179 VanDerWaalsContact O-N 3.13Å; C177-V179 PolarHBondContact SG-N 3.46Å; C177-V179 VanDerWaalsContact SG-N 3.38Å; C177-K181 WeakPolarHBondContact O-CA 3.49Å; C177-K181 PolarHBondContact O-N 2.98Å; C177-K182 PolarHBondContact N-O 3.4Å; C177-C184 HydrophobicContact CB-CB 4.15Å; C177-C184 PolarHBondContact N-SG 3.47Å; C177-T201 CarbonylContact C-O 3.1Å; C177-T201 WeakPolarHBondContact CA-O 3.45Å; C177-H203 WeakPolarHBondContact CB-ND1 3.43Å; C177-C206 WeakPolarHBondContact SG-CB 3.36Å | ||
| 178 | A | 94.2 | Very high | 92 | Very high | 13 Ų | 13 | 54.9 Ų | 54.9 | 11% | 0.107 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -30.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K176 K181 M200 T201 I210 P919 | K176-A178 PolarHBondContact O-N 3.35Å; A178-K181 WeakPolarHBondContact O-CE 3.45Å; A178-K181 PolarHBondContact O-NZ 3.42Å; A178-M200 HydrophobicContact CB-CG 3.68Å; A178-M200 HydrophobicContact CB-SD 3.66Å; A178-T201 PolarHBondContact N-O 3.3Å; A178-I210 HydrophobicContact CB-CD1 4.27Å; A178-P919 HydrophobicContact CB-CB 4.46Å; A178-P919 HydrophobicContact CB-CG 4.14Å; A178-P919 WeakPolarHBondContact O-CG 3.44Å |
| 179 | V | 94.2 | Very high | 91.9 | Very high | 29 Ų | 29 | 54.5 Ų | 54.5 | 18% | 0.176 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -64.8 | -177 | -177.3 | 0 | 0 | 0 | 0 | 112.1 | C177 C206 Q209 I210 L921 | C177-V179 PolarHBondContact O-N 2.96Å; C177-V179 VanDerWaalsContact O-N 3.13Å; C177-V179 PolarHBondContact SG-N 3.46Å; C177-V179 VanDerWaalsContact SG-N 3.38Å; V179-C206 HydrophobicContact CB-CB 3.91Å; V179-C206 HydrophobicContact CG1-CB 4.4Å; V179-C206 HydrophobicContact CG2-CB 4.03Å; V179-C206 WeakPolarHBondContact CG2-O 3.37Å; V179-Q209 HydrophobicContact CG1-CB 4.39Å; V179-Q209 HydrophobicContact CG2-CB 4.35Å; V179-I210 HydrophobicContact CG2-CD1 4.19Å; V179-I210 HydrophobicContact CG2-CG1 3.73Å; V179-L921 HydrophobicContact CG1-CD2 4.39Å; V179-L921 HydrophobicContact CG2-CD2 4.08Å |
| 180 | C | 93.9 | Very high | 91.8 | Very high | 50 Ų | 50 | 54.4 Ų | 54.4 | 34% | 0.338 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -4.4 | -173.1 | 76.6 | 0 | 0 | 0 | 0 | 114.4 | K182 H203 | C180-K182 PolarHBondContact O-N 3.3Å; C180-H203 PolarHBondContact SG-CE1 2.98Å; C180-H203 PolarHBondContact SG-ND1 3.05Å |
| 181 | K | 94.4 | Very high | 91.5 | Very high | 122 Ų | 122 | 53.3 Ų | 53.3 | 53% | 0.53 | 28% | 0.283 | S | S | . | . | trans | 62.8 | 0.3 | -179.5 | -49.9 | -55 | -172.8 | -173.3 | 0 | 116.4 | C177 A178 | C177-K181 WeakPolarHBondContact O-CA 3.49Å; C177-K181 PolarHBondContact O-N 2.98Å; A178-K181 WeakPolarHBondContact O-CE 3.45Å; A178-K181 PolarHBondContact O-NZ 3.42Å | ||
| 182 | K | 92.9 | Very high | 91.3 | Very high | 154 Ų | 154 | 53.1 Ų | 53.1 | 67% | 0.67 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -79.3 | 158.4 | 173.6 | -59.1 | 179.8 | -178.8 | -179.2 | 0 | 111.4 | C177 C180 C184 | C177-K182 PolarHBondContact N-O 3.4Å; C180-K182 PolarHBondContact O-N 3.3Å; K182-C184 PolarHBondContact O-N 3.19Å |
| 183 | T | 91.8 | Very high | 91.4 | Very high | 88 Ų | 88 | 51.3 Ų | 51.3 | 54% | 0.54 | 27% | 0.27 | S | S | . | . | B | Isolated β-bridge | trans | -56.6 | 131.8 | 174.5 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | S175 H203 | S175-T183 WeakPolarHBondContact O-CA 3.42Å; T183-H203 PolarHBondContact O-CE1 3.25Å; T183-H203 PolarHBondContact O-NE2 3.24Å |
| 184 | C | 92.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | trans | -120.3 | 5.1 | 177.7 | 57.9 | 0 | 0 | 0 | 0 | 114.1 | L171 S175 C177 K182 H203 | L171-C184 HydrophobicContact CD1-CB 4.43Å; L171-C184 WeakPolarHBondContact CD1-O 3.37Å; S175-C184 PolarHBondContact O-N 2.97Å; S175-C184 VanDerWaalsContact O-N 3.15Å; C177-C184 HydrophobicContact CB-CB 4.15Å; C177-C184 PolarHBondContact N-SG 3.47Å; K182-C184 PolarHBondContact O-N 3.19Å; C184-H203 WeakPolarHBondContact CA-NE2 3.34Å; C184-H203 VanDerWaalsContact CB-CD2 3.46Å; C184-H203 WeakPolarHBondContact CB-CD2 3.39Å; C184-H203 WeakPolarHBondContact CB-NE2 3.39Å | ||
| 185 | Y | 91.3 | Very high | 91.8 | Very high | 78 Ų | 78 | 42.9 Ų | 42.9 | 31% | 0.306 | 22% | 0.215 | S | C | . | . | trans | -82.7 | 151.4 | 174.2 | 164.5 | -103.1 | 0 | 0 | 0 | 112.9 | L171 P172 S173 S187 | L171-Y185 HydrophobicContact CB-CD2 4.12Å; L171-Y185 WeakPolarHBondContact O-CD2 3.26Å; L171-Y185 WeakPolarHBondContact O-CE2 3.44Å; P172-Y185 WeakPolarHBondContact O-CB 3.45Å; S173-Y185 VanDerWaalsContact CA-CD1 3.48Å; Y185-S187 WeakPolarHBondContact OH-CB 3.43Å | ||
| 186 | S | 90.4 | Very high | 91.8 | Very high | 21 Ų | 21 | 43 Ų | 43 | 15% | 0.147 | 22% | 0.215 | C | C | . | . | trans | -142.7 | 139.9 | 163.9 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | E188 C189 | S186-E188 PolarHBondContact OG-N 3.13Å; S186-E188 VanDerWaalsContact OG-N 3.08Å; S186-C189 PolarHBondContact OG-N 3.34Å | ||
| 187 | S | 89.8 | Confident | 91.8 | Very high | 52 Ų | 52 | 36.9 Ų | 36.9 | 36% | 0.364 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -83.4 | -14.8 | 168.1 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | F110 R117 Y185 | F110-S187 WeakPolarHBondContact CZ-O 3.41Å; R117-S187 PolarHBondContact NH1-O 3.46Å; R117-S187 PolarHBondContact NH2-O 3.14Å; Y185-S187 WeakPolarHBondContact OH-CB 3.43Å |
| 188 | E | 89.9 | Confident | 91.8 | Very high | 90 Ų | 90 | 37.5 Ų | 37.5 | 42% | 0.421 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -97.1 | -23.4 | -167.7 | -58.9 | -48.6 | 128.9 | 0 | 0 | 113.5 | H47 F110 R117 S186 | H47-E188 HydrophobicContact CB-CB 4.22Å; H47-E188 WeakPolarHBondContact ND1-CB 3.42Å; F110-E188 VanDerWaalsContact CZ-C 3.46Å; F110-E188 WeakPolarHBondContact CZ-O 3.39Å; R117-E188 IonicContact NH2-OE2 2.71Å; R117-E188 PolarHBondContact NH2-OE2 3.12Å; S186-E188 PolarHBondContact OG-N 3.13Å; S186-E188 VanDerWaalsContact OG-N 3.08Å |
| 189 | C | 88.8 | Confident | 91.8 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.02 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -155.4 | 165.8 | 179.1 | 62.9 | 0 | 0 | 0 | 0 | 111.7 | S186 A191 | S186-C189 PolarHBondContact OG-N 3.34Å; C189-A191 PolarHBondContact O-N 2.92Å; C189-A191 VanDerWaalsContact O-N 3.14Å |
| 190 | L | 88.4 | Confident | 91.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -64.2 | 112.2 | 167.6 | -73.5 | 166.6 | 0 | 0 | 0 | 109.4 | F110 L112 R115 H170 | F110-L190 HydrophobicContact CB-CD1 3.84Å; F110-L190 HydrophobicContact CB-CD2 3.7Å; F110-L190 HydrophobicContact CB-CG 3.52Å; F110-L190 HydrophobicContact CD2-CD2 4.24Å; F110-L190 HydrophobicContact CD2-CG 4.22Å; F110-L190 HydrophobicContact CG-CD2 4.29Å; F110-L190 HydrophobicContact CG-CG 3.97Å; L112-L190 HydrophobicContact CD2-CD1 4.06Å; L112-L190 HydrophobicContact CD2-CD2 3.95Å; R115-L190 HydrophobicContact CB-CD1 4.12Å; R115-L190 HydrophobicContact CG-CD1 3.92Å; H170-L190 VanDerWaalsContact CE1-CD2 3.45Å; H170-L190 WeakPolarHBondContact CE1-CD2 3.43Å | ||
| 191 | A | 83.4 | Confident | 91.9 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | trans | -141.2 | 139.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | C52 G169 C189 | C52-A191 WeakPolarHBondContact SG-CB 3.2Å; G169-A191 WeakPolarHBondContact CA-O 3.42Å; C189-A191 PolarHBondContact O-N 2.92Å; C189-A191 VanDerWaalsContact O-N 3.14Å | ||
| 192 | G | 89.6 | Confident | 91.8 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 72.8 | 175.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E168 G169 A202 | E168-G192 CarbonylContact C-O 3.56Å; E168-G192 WeakPolarHBondContact CA-O 3.45Å; G169-G192 PolarHBondContact N-O 3.33Å; G192-A202 CarbonylContact C-O 3.56Å; G192-A202 WeakPolarHBondContact CA-O 3.33Å |
| 193 | M | 91.6 | Very high | 91.7 | Very high | 10 Ų | 10 | 26.2 Ų | 26.2 | 5% | 0.049 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 141.7 | -176.8 | -54.6 | -66.7 | -68.1 | 0 | 0 | 108.9 | W166 R167 E168 T201 A202 T204 F207 | W166-M193 HydrophobicContact CB-CE 3.77Å; W166-M193 HydrophobicContact CE3-CB 3.73Å; W166-M193 HydrophobicContact CZ3-CB 4.23Å; R167-M193 CarbonylContact O-C 3.48Å; R167-M193 VanDerWaalsContact O-CA 3.26Å; R167-M193 WeakPolarHBondContact O-CA 3.47Å; E168-M193 HydrophobicContact CB-SD 3.96Å; E168-M193 HydrophobicContact CG-SD 4.24Å; M193-T201 CarbonylContact O-C 3.56Å; M193-T201 WeakPolarHBondContact O-CA 3.36Å; M193-A202 PolarHBondContact N-O 2.99Å; M193-A202 PolarHBondContact O-N 3.42Å; M193-T204 HydrophobicContact CG-CG2 4.36Å; M193-T204 HydrophobicContact SD-CG2 4.02Å; M193-F207 HydrophobicContact CB-CB 4.39Å; M193-F207 HydrophobicContact CB-CG 4.45Å; M193-F207 HydrophobicContact CE-CE1 4.32Å; M193-F207 HydrophobicContact CE-CZ 4.38Å; M193-F207 HydrophobicContact CG-CB 4.4Å; M193-F207 HydrophobicContact CG-CD1 3.7Å; M193-F207 HydrophobicContact CG-CE1 4.18Å; M193-F207 HydrophobicContact CG-CG 4.1Å |
| 194 | R | 93.3 | Very high | 91.3 | Very high | 38 Ų | 38 | 22.3 Ų | 22.3 | 14% | 0.143 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 137.3 | 173.3 | -173.4 | 173.3 | 179.5 | -159.8 | -5.4 | 110.5 | E130 W166 R167 L171 M200 T201 | E130-R194 IonicContact OE1-CZ 3.8Å; E130-R194 IonicContact OE1-NH1 3.55Å; E130-R194 PolarHBondContact OE1-NH1 3.03Å; E130-R194 IonicContact OE2-NH1 2.8Å; E130-R194 PolarHBondContact OE2-NH1 3.16Å; W166-R194 CarbonylContact C-O 3.58Å; W166-R194 WeakPolarHBondContact CA-O 3.3Å; W166-R194 VanDerWaalsContact CE3-C 3.46Å; R167-R194 PolarHBondContact N-O 3.08Å; R167-R194 PolarHBondContact O-N 3.45Å; L171-R194 HydrophobicContact CD2-CB 3.52Å; L171-R194 HydrophobicContact CD2-CG 4.36Å; R194-M200 CarbonylContact C-O 3.56Å; R194-M200 VanDerWaalsContact CA-O 3.29Å; R194-M200 WeakPolarHBondContact CA-O 3.45Å; R194-T201 HydrophobicContact CB-CG2 4.33Å; R194-T201 HydrophobicContact CG-CG2 4.14Å |
| 195 | C | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 123.6 | 167.3 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | H164 H165 W166 W197 C198 G199 M200 | H164-C195 HydrophobicContact CB-CB 4.45Å; H164-C195 PolarHBondContact ND1-SG 3.17Å; H165-C195 PolarHBondContact N-SG 3.24Å; H165-C195 CarbonylContact O-C 3.58Å; H165-C195 WeakPolarHBondContact O-CA 3.32Å; W166-C195 HydrophobicContact CE3-CB 4.24Å; W166-C195 HydrophobicContact CH2-CB 4.34Å; W166-C195 HydrophobicContact CZ3-CB 4.13Å; C195-W197 PolarHBondContact O-N 3.42Å; C195-W197 PolarHBondContact SG-N 2.8Å; C195-C198 WeakPolarHBondContact CB-SG 3.49Å; C195-C198 VanDerWaalsContact SG-SG 3.64Å; C195-G199 WeakPolarHBondContact O-CA 3.02Å; C195-G199 PolarHBondContact O-N 3.5Å; C195-M200 HydrophobicContact CB-CB 4.49Å; C195-M200 PolarHBondContact N-O 3.4Å |
| 196 | E | 94.2 | Very high | 90.8 | Very high | 11 Ų | 11 | 23.5 Ų | 23.5 | 5% | 0.051 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -3.7 | 179 | -59.9 | -68.3 | 115.6 | 0 | 0 | 113.2 | C129 E130 R146 H165 R167 | C129-E196 WeakPolarHBondContact CB-OE2 3.41Å; E130-E196 PolarHBondContact N-OE2 3.48Å; R146-E196 WeakPolarHBondContact CD-O 3.27Å; R146-E196 HydrophobicContact CG-CB 3.87Å; R146-E196 PolarHBondContact NH1-O 3.45Å; H165-E196 HydrophobicContact CB-CB 4.31Å; H165-E196 PolarHBondContact O-N 3.01Å; R167-E196 HydrophobicContact CB-CG 3.87Å; R167-E196 WeakPolarHBondContact CB-OE1 3.19Å |
| 197 | W | 94.7 | Very high | 90.6 | Very high | 10 Ų | 10 | 23 Ų | 23 | 4% | 0.038 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -61.7 | 173.8 | -73.8 | 119.2 | 0 | 0 | 0 | 112.2 | R146 E147 C195 F216 M223 P226 N590 | R146-W197 HydrophobicContact CB-CH2 4.48Å; R146-W197 HydrophobicContact CB-CZ2 3.84Å; R146-W197 HydrophobicContact CG-CZ2 4.29Å; E147-W197 WeakPolarHBondContact O-CZ2 3.34Å; C195-W197 PolarHBondContact O-N 3.42Å; C195-W197 PolarHBondContact SG-N 2.8Å; W197-F216 HydrophobicContact CB-CD1 4.13Å; W197-F216 HydrophobicContact CD2-CD1 4.45Å; W197-F216 HydrophobicContact CD2-CE1 4.26Å; W197-F216 HydrophobicContact CE3-CD1 4.2Å; W197-F216 HydrophobicContact CE3-CE1 4.15Å; W197-F216 HydrophobicContact CG-CD1 4.46Å; W197-F216 HydrophobicContact CG-CE1 4.46Å; W197-M223 HydrophobicContact CE3-CE 4.31Å; W197-M223 HydrophobicContact CE3-SD 4.2Å; W197-M223 HydrophobicContact CZ3-SD 4.04Å; W197-P226 HydrophobicContact CH2-CG 3.61Å; W197-P226 HydrophobicContact CZ2-CG 3.54Å; W197-P226 HydrophobicContact CZ3-CG 4.3Å; W197-N590 HydrophobicContact CH2-CB 4.43Å; W197-N590 HydrophobicContact CZ3-CB 4.24Å |
| 198 | C | 95.4 | Very high | 90.3 | Very high | 13 Ų | 13 | 21.9 Ų | 21.9 | 9% | 0.088 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -7.6 | -176.8 | 66.8 | 0 | 0 | 0 | 0 | 114.6 | H164 C195 M200 F216 G217 | H164-C198 PolarHBondContact CE1-SG 2.65Å; H164-C198 PolarHBondContact ND1-SG 3.2Å; C195-C198 WeakPolarHBondContact CB-SG 3.49Å; C195-C198 VanDerWaalsContact SG-SG 3.64Å; C198-M200 PolarHBondContact O-N 2.91Å; C198-M200 WeakPolarHBondContact SG-CB 3.46Å; C198-F216 VanDerWaalsContact CB-C 3.47Å; C198-G217 VanDerWaalsContact CB-N 3.35Å |
| 199 | G | 94 | Very high | 90.2 | Very high | 31 Ų | 31 | 20.8 Ų | 20.8 | 32% | 0.32 | 11% | 0.114 | S | C | . | . | trans | 73.7 | -0.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | C195 T201 | C195-G199 WeakPolarHBondContact O-CA 3.02Å; C195-G199 PolarHBondContact O-N 3.5Å; G199-T201 PolarHBondContact O-N 2.79Å | ||
| 200 | M | 94.4 | Very high | 90.3 | Very high | 39 Ų | 39 | 20.8 Ų | 20.8 | 19% | 0.192 | 11% | 0.113 | C | C | . | . | trans | -57.1 | 137.6 | 179.7 | -169.3 | -177 | -19.9 | 0 | 0 | 111 | H164 W166 A178 R194 C195 C198 I210 P919 | H164-M200 WeakPolarHBondContact CE1-CE 3.27Å; W166-M200 HydrophobicContact CH2-CB 4.43Å; W166-M200 HydrophobicContact CH2-CG 4.45Å; W166-M200 HydrophobicContact CH2-SD 4.41Å; W166-M200 WeakPolarHBondContact CZ3-O 3.07Å; A178-M200 HydrophobicContact CB-CG 3.68Å; A178-M200 HydrophobicContact CB-SD 3.66Å; R194-M200 CarbonylContact C-O 3.56Å; R194-M200 VanDerWaalsContact CA-O 3.29Å; R194-M200 WeakPolarHBondContact CA-O 3.45Å; C195-M200 HydrophobicContact CB-CB 4.49Å; C195-M200 PolarHBondContact N-O 3.4Å; C198-M200 PolarHBondContact O-N 2.91Å; C198-M200 WeakPolarHBondContact SG-CB 3.46Å; M200-I210 HydrophobicContact CE-CG2 4.05Å; M200-I210 HydrophobicContact SD-CD1 3.8Å; M200-I210 HydrophobicContact SD-CG1 4.48Å; M200-I210 HydrophobicContact SD-CG2 3.85Å; M200-P919 HydrophobicContact SD-CB 4.35Å | ||
| 201 | T | 95.1 | Very high | 90.4 | Very high | 17 Ų | 17 | 22.3 Ų | 22.3 | 10% | 0.104 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 147.9 | 179.3 | 65.3 | 0 | 0 | 0 | 0 | 112.3 | L171 K176 C177 A178 M193 R194 G199 | L171-T201 HydrophobicContact CD1-CG2 4.42Å; L171-T201 HydrophobicContact CD2-CG2 3.95Å; K176-T201 PolarHBondContact O-OG1 3.29Å; C177-T201 CarbonylContact C-O 3.1Å; C177-T201 WeakPolarHBondContact CA-O 3.45Å; A178-T201 PolarHBondContact N-O 3.3Å; M193-T201 CarbonylContact O-C 3.56Å; M193-T201 WeakPolarHBondContact O-CA 3.36Å; R194-T201 HydrophobicContact CB-CG2 4.33Å; R194-T201 HydrophobicContact CG-CG2 4.14Å; G199-T201 PolarHBondContact O-N 2.79Å |
| 202 | A | 93.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 157.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G192 M193 C206 F207 I210 | G192-A202 CarbonylContact C-O 3.56Å; G192-A202 WeakPolarHBondContact CA-O 3.33Å; M193-A202 PolarHBondContact N-O 2.99Å; M193-A202 PolarHBondContact O-N 3.42Å; A202-C206 HydrophobicContact CB-CB 4.49Å; A202-F207 HydrophobicContact CB-CB 3.74Å; A202-I210 HydrophobicContact CB-CD1 3.78Å |
| 203 | H | 90.3 | Very high | 90.6 | Very high | 45 Ų | 45 | 27.2 Ų | 27.2 | 21% | 0.208 | 15% | 0.152 | C | C | . | . | trans | -64 | 153.2 | 164.7 | -61.3 | 98 | 0 | 0 | 0 | 110.4 | C177 C180 T183 C184 I205 C206 F207 | C177-H203 WeakPolarHBondContact CB-ND1 3.43Å; C180-H203 PolarHBondContact SG-CE1 2.98Å; C180-H203 PolarHBondContact SG-ND1 3.05Å; T183-H203 PolarHBondContact O-CE1 3.25Å; T183-H203 PolarHBondContact O-NE2 3.24Å; C184-H203 WeakPolarHBondContact CA-NE2 3.34Å; C184-H203 VanDerWaalsContact CB-CD2 3.46Å; C184-H203 WeakPolarHBondContact CB-CD2 3.39Å; C184-H203 WeakPolarHBondContact CB-NE2 3.39Å; H203-I205 PolarHBondContact O-N 3.14Å; H203-C206 HydrophobicContact CB-CB 4.02Å; H203-C206 PolarHBondContact O-N 3.11Å; H203-F207 PolarHBondContact O-N 3.29Å | ||
| 204 | T | 83.8 | Confident | 90.6 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20.7 | 179.7 | -39 | 0 | 0 | 0 | 0 | 113.9 | T81 M193 F207 | T81-T204 PolarHBondContact OG1-O 2.97Å; M193-T204 HydrophobicContact CG-CG2 4.36Å; M193-T204 HydrophobicContact SD-CG2 4.02Å; T204-F207 WeakPolarHBondContact O-CD1 3.4Å; T204-F207 WeakPolarHBondContact O-CE1 3.35Å |
| 205 | I | 82.4 | Confident | 90.6 | Very high | 88 Ų | 88 | 28 Ų | 28 | 45% | 0.451 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -36.4 | 172.5 | -59.6 | 156.6 | 0 | 0 | 0 | 111.1 | H203 | H203-I205 PolarHBondContact O-N 3.14Š|
| 206 | C | 89.1 | Confident | 90.7 | Very high | 17 Ų | 17 | 28.9 Ų | 28.9 | 12% | 0.115 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -33.1 | -172.9 | -70 | 0 | 0 | 0 | 0 | 112.7 | C177 V179 A202 H203 C208 Q209 | C177-C206 WeakPolarHBondContact SG-CB 3.36Å; V179-C206 HydrophobicContact CB-CB 3.91Å; V179-C206 HydrophobicContact CG1-CB 4.4Å; V179-C206 HydrophobicContact CG2-CB 4.03Å; V179-C206 WeakPolarHBondContact CG2-O 3.37Å; A202-C206 HydrophobicContact CB-CB 4.49Å; H203-C206 HydrophobicContact CB-CB 4.02Å; H203-C206 PolarHBondContact O-N 3.11Å; C206-C208 PolarHBondContact O-N 2.77Å; C206-C208 VanDerWaalsContact O-N 3.08Å; C206-Q209 WeakPolarHBondContact O-CB 3.47Å; C206-Q209 PolarHBondContact O-N 3.1Å |
| 207 | F | 87.7 | Confident | 90.8 | Very high | 11 Ų | 11 | 29.1 Ų | 29.1 | 5% | 0.048 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -60.4 | -26.1 | -173.3 | 88.8 | -85.8 | 0 | 0 | 0 | 112.9 | H6 W166 M193 A202 H203 T204 Q209 I210 | H6-F207 PolarHBondContact CE1-O 3.3Å; H6-F207 AromaticContact ND1-CD2 3.72Å; H6-F207 AromaticContact ND1-CE2 3.88Å; H6-F207 PolarHBondContact ND1-O 2.88Å; H6-F207 VanDerWaalsContact ND1-O 3.11Å; W166-F207 HydrophobicContact CD2-CD2 4.13Å; W166-F207 HydrophobicContact CG-CD2 4.18Å; W166-F207 HydrophobicContact CG-CE2 4.46Å; W166-F207 HydrophobicContact CH2-CB 4.45Å; W166-F207 HydrophobicContact CZ2-CB 4.45Å; W166-F207 AromaticContact NE1-CD2 3.93Å; M193-F207 HydrophobicContact CB-CB 4.39Å; M193-F207 HydrophobicContact CB-CG 4.45Å; M193-F207 HydrophobicContact CE-CE1 4.32Å; M193-F207 HydrophobicContact CE-CZ 4.38Å; M193-F207 HydrophobicContact CG-CB 4.4Å; M193-F207 HydrophobicContact CG-CD1 3.7Å; M193-F207 HydrophobicContact CG-CE1 4.18Å; M193-F207 HydrophobicContact CG-CG 4.1Å; A202-F207 HydrophobicContact CB-CB 3.74Å; H203-F207 PolarHBondContact O-N 3.29Å; T204-F207 WeakPolarHBondContact O-CD1 3.4Å; T204-F207 WeakPolarHBondContact O-CE1 3.35Å; F207-Q209 PolarHBondContact O-N 3.21Å; F207-Q209 VanDerWaalsContact O-N 3.08Å; F207-I210 HydrophobicContact CB-CD1 4.28Å; F207-I210 WeakPolarHBondContact O-CB 3.43Å; F207-I210 PolarHBondContact O-N 3.48Å; F207-I210 VanDerWaalsContact O-N 3.11Å |
| 208 | C | 82.1 | Confident | 90.8 | Very high | 28 Ų | 28 | 30.4 Ų | 30.4 | 19% | 0.189 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -65 | -3.6 | 173.6 | -59.2 | 0 | 0 | 0 | 0 | 115.2 | H6 C206 | H6-C208 HydrophobicContact CB-CB 4.21Å; H6-C208 WeakPolarHBondContact ND1-CA 3.44Å; C206-C208 PolarHBondContact O-N 2.77Å; C206-C208 VanDerWaalsContact O-N 3.08Å |
| 209 | Q | 88.5 | Confident | 90.9 | Very high | 68 Ų | 68 | 30 Ų | 30 | 32% | 0.318 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -102.6 | -10.6 | 175.8 | -56.8 | 178 | 23 | 0 | 0 | 112.4 | V179 C206 F207 S922 | V179-Q209 HydrophobicContact CG1-CB 4.39Å; V179-Q209 HydrophobicContact CG2-CB 4.35Å; C206-Q209 WeakPolarHBondContact O-CB 3.47Å; C206-Q209 PolarHBondContact O-N 3.1Å; F207-Q209 PolarHBondContact O-N 3.21Å; F207-Q209 VanDerWaalsContact O-N 3.08Å; Q209-S922 PolarHBondContact O-N 3.23Å; Q209-S922 PolarHBondContact O-OG 3.45Å |
| 210 | I | 89.9 | Confident | 91.1 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -74.7 | 158.8 | 177.6 | -57.7 | 173.3 | 0 | 0 | 0 | 108 | H6 W166 A178 V179 M200 A202 F207 | H6-I210 PolarHBondContact CD2-O 2.79Å; H6-I210 PolarHBondContact CE1-O 2.77Å; H6-I210 PolarHBondContact NE2-O 3.2Å; W166-I210 HydrophobicContact CH2-CD1 3.61Å; W166-I210 HydrophobicContact CZ2-CB 4.48Å; W166-I210 HydrophobicContact CZ2-CD1 3.91Å; W166-I210 HydrophobicContact CZ2-CG2 4.29Å; A178-I210 HydrophobicContact CB-CD1 4.27Å; V179-I210 HydrophobicContact CG2-CD1 4.19Å; V179-I210 HydrophobicContact CG2-CG1 3.73Å; M200-I210 HydrophobicContact CE-CG2 4.05Å; M200-I210 HydrophobicContact SD-CD1 3.8Å; M200-I210 HydrophobicContact SD-CG1 4.48Å; M200-I210 HydrophobicContact SD-CG2 3.85Å; A202-I210 HydrophobicContact CB-CD1 3.78Å; F207-I210 HydrophobicContact CB-CD1 4.28Å; F207-I210 WeakPolarHBondContact O-CB 3.43Å; F207-I210 PolarHBondContact O-N 3.48Å; F207-I210 VanDerWaalsContact O-N 3.11Å |
| 211 | S | 90.3 | Very high | 91.2 | Very high | 32 Ų | 32 | 34.4 Ų | 34.4 | 22% | 0.224 | 19% | 0.187 | C | C | . | . | trans | -61.2 | 154.9 | 166.4 | -179.4 | 0 | 0 | 0 | 0 | 111 | H6 H164 D213 V920 | H6-S211 PolarHBondContact NE2-O 2.94Å; H164-S211 PolarHBondContact CD2-O 2.97Å; S211-D213 VanDerWaalsContact C-N 3.3Å; S211-D213 PolarHBondContact OG-N 3.35Å; S211-V920 PolarHBondContact N-O 2.51Å | ||
| 212 | T | 87.3 | Confident | 91.4 | Very high | 52 Ų | 52 | 33.7 Ų | 33.7 | 32% | 0.319 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -73.7 | -26.6 | 170.1 | 50.9 | 0 | 0 | 0 | 0 | 112.3 | H163 H164 | H163-T212 VanDerWaalsContact CA-O 3.29Å; H163-T212 WeakPolarHBondContact CA-O 3.33Å; H164-T212 PolarHBondContact CD2-O 2.89Å; H164-T212 PolarHBondContact N-O 3.39Å |
| 213 | D | 90.6 | Very high | 91.6 | Very high | 55 Ų | 55 | 33.7 Ų | 33.7 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | B | Isolated β-bridge | trans | -80.9 | 127.3 | -173.2 | -65.3 | -12 | 0 | 0 | 0 | 111.1 | R161 Q162 H163 H164 S211 | R161-D213 IonicContact NH1-OD2 2.72Å; R161-D213 PolarHBondContact NH1-OD2 2.89Å; Q162-D213 CarbonylContact O-C 3.59Å; Q162-D213 WeakPolarHBondContact O-CA 3.44Å; H163-D213 IonicContact CD2-OD1 3.6Å; H163-D213 IonicContact NE2-OD1 3.29Å; H164-D213 PolarHBondContact NE2-O 3.15Å; H164-D213 VanDerWaalsContact NE2-O 3.09Å; S211-D213 VanDerWaalsContact C-N 3.3Å; S211-D213 PolarHBondContact OG-N 3.35Å |
| 214 | C | 92.7 | Very high | 92 | Very high | 9 Ų | 9 | 31.6 Ų | 31.6 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | trans | -104.5 | 128.6 | -179.3 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | Q162 H164 F216 | Q162-C214 HydrophobicContact CG-CB 4.09Å; Q162-C214 PolarHBondContact O-N 2.94Å; H164-C214 HydrophobicContact CB-CB 4.32Å; H164-C214 VanDerWaalsContact ND1-CB 3.34Å; H164-C214 WeakPolarHBondContact ND1-CB 3.36Å; C214-F216 PolarHBondContact SG-N 3.43Å; C214-F216 VanDerWaalsContact SG-N 3.45Å | ||
| 215 | D | 92.6 | Very high | 92.5 | Very high | 56 Ų | 56 | 31.6 Ų | 31.6 | 30% | 0.299 | 17% | 0.173 | S | C | . | . | trans | -97.9 | 7.2 | 179.7 | 69.8 | -15.1 | 0 | 0 | 0 | 113.6 | G217 R220 | D215-G217 PolarHBondContact O-N 2.92Å; D215-G217 WeakPolarHBondContact OD1-CA 3.4Å; D215-G217 PolarHBondContact OD1-N 3.35Å; D215-R220 WeakPolarHBondContact O-CB 3.35Å; D215-R220 VanDerWaalsContact O-CD 3.25Å; D215-R220 WeakPolarHBondContact O-CD 3.36Å; D215-R220 WeakPolarHBondContact O-CG 3.47Å | ||
| 216 | F | 96 | Very high | 93 | Very high | 18 Ų | 18 | 27.4 Ų | 27.4 | 8% | 0.079 | 15% | 0.151 | C | C | . | . | trans | 65.9 | 5.8 | -173.3 | -48.3 | -74.6 | 0 | 0 | 0 | 115.3 | Q162 W197 C198 C214 L219 R220 M223 P225 | Q162-F216 HydrophobicContact CB-CE2 4.48Å; Q162-F216 HydrophobicContact CB-CZ 4.04Å; Q162-F216 HydrophobicContact CG-CE1 3.66Å; Q162-F216 HydrophobicContact CG-CE2 4.26Å; Q162-F216 HydrophobicContact CG-CZ 3.5Å; W197-F216 HydrophobicContact CB-CD1 4.13Å; W197-F216 HydrophobicContact CD2-CD1 4.45Å; W197-F216 HydrophobicContact CD2-CE1 4.26Å; W197-F216 HydrophobicContact CE3-CD1 4.2Å; W197-F216 HydrophobicContact CE3-CE1 4.15Å; W197-F216 HydrophobicContact CG-CD1 4.46Å; W197-F216 HydrophobicContact CG-CE1 4.46Å; C198-F216 VanDerWaalsContact CB-C 3.47Å; C214-F216 PolarHBondContact SG-N 3.43Å; C214-F216 VanDerWaalsContact SG-N 3.45Å; F216-L219 PolarHBondContact O-N 2.81Å; F216-R220 HydrophobicContact CB-CB 4.23Å; F216-M223 HydrophobicContact CB-CB 4.15Å; F216-M223 HydrophobicContact CB-CE 4.4Å; F216-M223 HydrophobicContact CB-CG 4.12Å; F216-M223 HydrophobicContact CD1-CE 4.33Å; F216-M223 HydrophobicContact CD1-CG 3.62Å; F216-M223 HydrophobicContact CD1-SD 4.43Å; F216-M223 HydrophobicContact CD2-CB 4.42Å; F216-M223 HydrophobicContact CD2-CG 4.18Å; F216-M223 HydrophobicContact CE1-CG 3.97Å; F216-M223 HydrophobicContact CE2-CG 4.5Å; F216-M223 HydrophobicContact CG-CB 4.14Å; F216-M223 HydrophobicContact CG-CG 3.72Å; F216-M223 HydrophobicContact CZ-CG 4.39Å; F216-P225 HydrophobicContact CE2-CB 4.03Å; F216-P225 HydrophobicContact CE2-CG 4.2Å; F216-P225 HydrophobicContact CZ-CB 3.95Å | ||
| 217 | G | 95.7 | Very high | 93.1 | Very high | 15 Ų | 15 | 27.7 Ų | 27.7 | 16% | 0.155 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | 57.2 | -141.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | C198 D215 L219 R220 | C198-G217 VanDerWaalsContact CB-N 3.35Å; D215-G217 PolarHBondContact O-N 2.92Å; D215-G217 WeakPolarHBondContact OD1-CA 3.4Å; D215-G217 PolarHBondContact OD1-N 3.35Å; G217-L219 PolarHBondContact O-N 2.68Å; G217-L219 VanDerWaalsContact O-N 3.07Å; G217-R220 VanDerWaalsContact O-CB 3.25Å; G217-R220 WeakPolarHBondContact O-CB 3.45Å; G217-R220 PolarHBondContact O-N 3.48Å |
| 218 | P | 95.6 | Very high | 93.3 | Very high | 37 Ų | 37 | 27.2 Ų | 27.2 | 24% | 0.24 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -61.2 | -21 | -175.3 | -23.9 | 33.8 | 0 | 0 | 0 | 115 | I682 | P218-I682 WeakPolarHBondContact O-CD1 3.23Š|
| 219 | L | 97.9 | Very high | 93.7 | Very high | 6 Ų | 6 | 25.9 Ų | 25.9 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -93.4 | -0.6 | -179.1 | -59.7 | -175.9 | 0 | 0 | 0 | 113.2 | F216 G217 P221 I222 M223 L588 L589 L675 L678 I682 | F216-L219 PolarHBondContact O-N 2.81Å; G217-L219 PolarHBondContact O-N 2.68Å; G217-L219 VanDerWaalsContact O-N 3.07Å; L219-P221 VanDerWaalsContact C-N 3.3Å; L219-P221 VanDerWaalsContact O-N 3.15Å; L219-I222 HydrophobicContact CB-CG1 4.5Å; L219-I222 HydrophobicContact CD2-CD1 4.29Å; L219-I222 WeakPolarHBondContact O-CG1 3.14Å; L219-I222 PolarHBondContact O-N 3.19Å; L219-M223 HydrophobicContact CB-CE 4.29Å; L219-M223 PolarHBondContact O-N 2.98Å; L219-L588 HydrophobicContact CD1-CB 4.1Å; L219-L588 WeakPolarHBondContact CD1-O 3.27Å; L219-L589 HydrophobicContact CD1-CD2 4.18Å; L219-L675 HydrophobicContact CD1-CD1 3.88Å; L219-L675 HydrophobicContact CD2-CD1 3.9Å; L219-L675 HydrophobicContact CG-CD1 3.92Å; L219-L678 HydrophobicContact CD1-CD1 3.74Å; L219-L678 HydrophobicContact CD2-CB 3.59Å; L219-L678 HydrophobicContact CD2-CD1 4.1Å; L219-I682 HydrophobicContact CD2-CD1 4.27Å |
| 220 | R | 97.2 | Very high | 93.7 | Very high | 112 Ų | 112 | 22.8 Ų | 22.8 | 42% | 0.423 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | -43.3 | -45.8 | 177.8 | -177.1 | -177.5 | 175.1 | 168.3 | -1.4 | 114.5 | D215 F216 G217 I222 M223 | D215-R220 WeakPolarHBondContact O-CB 3.35Å; D215-R220 VanDerWaalsContact O-CD 3.25Å; D215-R220 WeakPolarHBondContact O-CD 3.36Å; D215-R220 WeakPolarHBondContact O-CG 3.47Å; F216-R220 HydrophobicContact CB-CB 4.23Å; G217-R220 VanDerWaalsContact O-CB 3.25Å; G217-R220 WeakPolarHBondContact O-CB 3.45Å; G217-R220 PolarHBondContact O-N 3.48Å; R220-I222 PolarHBondContact O-N 3.05Å; R220-I222 VanDerWaalsContact O-N 3.13Å; R220-M223 PolarHBondContact O-N 3.08Å |
| 221 | P | 98.1 | Very high | 93.5 | Very high | 49 Ų | 49 | 24 Ų | 24 | 32% | 0.318 | 13% | 0.134 | S | C | . | . | G | 310 helix | trans | -64.3 | -19.7 | -175.9 | -23.3 | 36.3 | 0 | 0 | 0 | 114.5 | L219 Q563 I682 | L219-P221 VanDerWaalsContact C-N 3.3Å; L219-P221 VanDerWaalsContact O-N 3.15Å; P221-Q563 PolarHBondContact O-N 3.34Å; P221-I682 HydrophobicContact CB-CG2 4.09Å; P221-I682 HydrophobicContact CG-CD1 4.39Å; P221-I682 HydrophobicContact CG-CG2 4.08Å |
| 222 | I | 98.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -122.9 | 3.2 | -175.9 | 59.8 | 163 | 0 | 0 | 0 | 113.8 | L219 R220 Q563 P564 L565 L589 Q593 L678 I682 | L219-I222 HydrophobicContact CB-CG1 4.5Å; L219-I222 HydrophobicContact CD2-CD1 4.29Å; L219-I222 WeakPolarHBondContact O-CG1 3.14Å; L219-I222 PolarHBondContact O-N 3.19Å; R220-I222 PolarHBondContact O-N 3.05Å; R220-I222 VanDerWaalsContact O-N 3.13Å; I222-Q563 WeakPolarHBondContact CA-O 3.23Å; I222-P564 WeakPolarHBondContact O-CA 3.17Å; I222-L565 HydrophobicContact CB-CB 3.86Å; I222-L565 HydrophobicContact CD1-CB 4.21Å; I222-L565 HydrophobicContact CD1-CD2 3.89Å; I222-L565 HydrophobicContact CG2-CB 4.38Å; I222-L565 PolarHBondContact O-N 3.45Å; I222-L589 HydrophobicContact CD1-CD2 4.28Å; I222-L589 HydrophobicContact CG1-CD2 4.47Å; I222-Q593 PolarHBondContact O-NE2 3.48Å; I222-L678 HydrophobicContact CD1-CB 4.12Å; I222-L678 HydrophobicContact CD1-CD2 4.31Å; I222-I682 HydrophobicContact CB-CG1 4.43Å; I222-I682 HydrophobicContact CD1-CD1 4.15Å; I222-I682 HydrophobicContact CD1-CG1 3.95Å; I222-I682 HydrophobicContact CG1-CD1 3.99Å; I222-I682 HydrophobicContact CG1-CG1 3.93Å; I222-I682 HydrophobicContact CG2-CG1 3.74Å |
| 223 | M | 98.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | trans | -75.2 | 136.3 | 178.9 | -175.2 | 63.3 | 66.8 | 0 | 0 | 109.8 | W197 F216 L219 R220 P225 V562 L588 L589 N590 | W197-M223 HydrophobicContact CE3-CE 4.31Å; W197-M223 HydrophobicContact CE3-SD 4.2Å; W197-M223 HydrophobicContact CZ3-SD 4.04Å; F216-M223 HydrophobicContact CB-CB 4.15Å; F216-M223 HydrophobicContact CB-CE 4.4Å; F216-M223 HydrophobicContact CB-CG 4.12Å; F216-M223 HydrophobicContact CD1-CE 4.33Å; F216-M223 HydrophobicContact CD1-CG 3.62Å; F216-M223 HydrophobicContact CD1-SD 4.43Å; F216-M223 HydrophobicContact CD2-CB 4.42Å; F216-M223 HydrophobicContact CD2-CG 4.18Å; F216-M223 HydrophobicContact CE1-CG 3.97Å; F216-M223 HydrophobicContact CE2-CG 4.5Å; F216-M223 HydrophobicContact CG-CB 4.14Å; F216-M223 HydrophobicContact CG-CG 3.72Å; F216-M223 HydrophobicContact CZ-CG 4.39Å; L219-M223 HydrophobicContact CB-CE 4.29Å; L219-M223 PolarHBondContact O-N 2.98Å; R220-M223 PolarHBondContact O-N 3.08Å; M223-P225 VanDerWaalsContact O-CD 3.23Å; M223-P225 WeakPolarHBondContact O-CD 3.39Å; M223-V562 WeakPolarHBondContact O-CG1 3.27Å; M223-L588 WeakPolarHBondContact CE-O 3.41Å; M223-L589 HydrophobicContact CE-CD2 4.22Å; M223-N590 HydrophobicContact SD-CB 4.26Å; M223-N590 PolarHBondContact SD-N 2.83Å; M223-N590 VanDerWaalsContact SD-N 3.41Å | ||
| 224 | L | 97.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -86.2 | 106.2 | 164.4 | -178.6 | 61.2 | 0 | 0 | 0 | 108.3 | C228 L229 I553 I558 P564 N590 Q593 F609 | L224-C228 HydrophobicContact CD1-CB 4.28Å; L224-L229 HydrophobicContact CD2-CD1 4.1Å; L224-I553 HydrophobicContact CD1-CD1 4.37Å; L224-I553 HydrophobicContact CD1-CG2 4.2Å; L224-I553 HydrophobicContact CD2-CD1 3.89Å; L224-I553 HydrophobicContact CD2-CG1 4.18Å; L224-I558 HydrophobicContact CD1-CD1 4.42Å; L224-P564 HydrophobicContact CB-CB 4.18Å; L224-P564 HydrophobicContact CD1-CB 4.22Å; L224-P564 HydrophobicContact CD1-CG 4.05Å; L224-N590 HydrophobicContact CB-CB 4.25Å; L224-N590 WeakPolarHBondContact O-CB 3.44Å; L224-N590 PolarHBondContact O-ND2 2.79Å; L224-Q593 HydrophobicContact CB-CG 3.5Å; L224-Q593 HydrophobicContact CD2-CG 4.09Å; L224-Q593 HydrophobicContact CG-CG 4.48Å; L224-Q593 VanDerWaalsContact N-CD 3.27Å; L224-F609 HydrophobicContact CD2-CZ 4.37Å | ||
| 225 | P | 95.3 | Very high | 89 | Confident | 6 Ų | 6 | 25.6 Ų | 25.6 | 4% | 0.039 | 13% | 0.13 | C | C | . | . | trans | -63.7 | 138.2 | -175.2 | -22.9 | 37.1 | 0 | 0 | 0 | 110.9 | F216 M223 N227 C228 | F216-P225 HydrophobicContact CE2-CB 4.03Å; F216-P225 HydrophobicContact CE2-CG 4.2Å; F216-P225 HydrophobicContact CZ-CB 3.95Å; M223-P225 VanDerWaalsContact O-CD 3.23Å; M223-P225 WeakPolarHBondContact O-CD 3.39Å; P225-N227 WeakPolarHBondContact CB-OD1 3.41Å; P225-N227 PolarHBondContact O-N 3.49Å; P225-N227 VanDerWaalsContact O-N 3.15Å; P225-C228 WeakPolarHBondContact O-CB 3.45Å; P225-C228 PolarHBondContact O-N 3.15Å | ||
| 226 | P | 93.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -57.2 | -30.9 | -179.2 | -29.4 | 37 | 0 | 0 | 0 | 114.5 | E147 T150 W197 C228 L229 | E147-P226 VanDerWaalsContact O-CB 3.3Å; E147-P226 WeakPolarHBondContact O-CB 3.4Å; E147-P226 WeakPolarHBondContact O-CG 3.42Å; T150-P226 HydrophobicContact CG2-CB 4.02Å; T150-P226 PolarHBondContact N-O 3.25Å; W197-P226 HydrophobicContact CH2-CG 3.61Å; W197-P226 HydrophobicContact CZ2-CG 3.54Å; W197-P226 HydrophobicContact CZ3-CG 4.3Å; P226-C228 PolarHBondContact O-N 3.47Å; P226-L229 PolarHBondContact O-N 3.4Å |
| 227 | N | 90.3 | Very high | 87.2 | Confident | 23 Ų | 23 | 24.2 Ų | 24.2 | 12% | 0.123 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -73.3 | -4 | 177.4 | 69.2 | -25 | 0 | 0 | 0 | 113.6 | T150 F151 Q160 P225 | T150-N227 WeakPolarHBondContact OG1-CA 3.49Å; T150-N227 PolarHBondContact OG1-N 3.26Å; F151-N227 WeakPolarHBondContact CB-O 3.46Å; F151-N227 VanDerWaalsContact CD2-O 3.32Å; F151-N227 WeakPolarHBondContact CD2-O 3.28Å; Q160-N227 HydrophobicContact CB-CB 4.4Å; P225-N227 WeakPolarHBondContact CB-OD1 3.41Å; P225-N227 PolarHBondContact O-N 3.49Å; P225-N227 VanDerWaalsContact O-N 3.15Å |
| 228 | C | 91.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -96.9 | -3.1 | 173 | -54.4 | 0 | 0 | 0 | 0 | 112.3 | L224 P225 P226 I553 Q554 M557 I558 | L224-C228 HydrophobicContact CD1-CB 4.28Å; P225-C228 WeakPolarHBondContact O-CB 3.45Å; P225-C228 PolarHBondContact O-N 3.15Å; P226-C228 PolarHBondContact O-N 3.47Å; C228-I553 CarbonylContact O-C 3.56Å; C228-I553 WeakPolarHBondContact O-CA 3.33Å; C228-Q554 PolarHBondContact O-N 2.79Å; C228-M557 HydrophobicContact CB-CB 3.97Å; C228-M557 VanDerWaalsContact SG-CB 3.53Å; C228-M557 PolarHBondContact SG-O 3.5Å; C228-I558 HydrophobicContact CB-CG1 4.08Å |
| 229 | L | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 138.5 | -171.3 | -166.1 | 77.5 | 0 | 0 | 0 | 110.4 | A148 S149 T150 F151 L224 P226 P551 I553 F592 | A148-L229 WeakPolarHBondContact O-CD2 3.5Å; S149-L229 WeakPolarHBondContact CB-O 3.26Å; T150-L229 PolarHBondContact N-O 2.85Å; F151-L229 WeakPolarHBondContact CB-O 3Å; F151-L229 PolarHBondContact N-O 3.39Å; L224-L229 HydrophobicContact CD2-CD1 4.1Å; P226-L229 PolarHBondContact O-N 3.4Å; L229-P551 HydrophobicContact CD1-CB 3.92Å; L229-P551 HydrophobicContact CD1-CG 4.36Å; L229-P551 HydrophobicContact CD2-CB 4.35Å; L229-P551 HydrophobicContact CG-CB 4.22Å; L229-I553 HydrophobicContact CD1-CG1 3.61Å; L229-F592 HydrophobicContact CD2-CB 3.57Å; L229-F592 HydrophobicContact CD2-CD1 4.46Å; L229-F592 HydrophobicContact CD2-CD2 3.19Å; L229-F592 HydrophobicContact CD2-CE2 3.96Å; L229-F592 HydrophobicContact CD2-CG 3.5Å; L229-F592 VanDerWaalsContact CD2-CG 3.5Å |
| 230 | T | 87.9 | Confident | 85 | Confident | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.025 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 139.7 | 165.5 | 59.6 | 0 | 0 | 0 | 0 | 110.2 | F151 P469 H470 P551 N552 | F151-T230 HydrophobicContact CB-CG2 3.64Å; F151-T230 HydrophobicContact CD1-CG2 3.23Å; F151-T230 HydrophobicContact CE1-CG2 4.12Å; F151-T230 HydrophobicContact CG-CG2 3.74Å; T230-P469 WeakPolarHBondContact CG2-O 3.46Å; T230-H470 PolarHBondContact O-ND1 3.24Å; T230-H470 VanDerWaalsContact O-ND1 3.11Å; T230-H470 WeakPolarHBondContact OG1-CA 3.24Å; T230-H470 PolarHBondContact OG1-ND1 3.42Å; T230-P551 WeakPolarHBondContact O-CA 3.18Å; T230-P551 WeakPolarHBondContact O-CB 3.18Å; T230-N552 PolarHBondContact N-O 2.98Å; T230-N552 PolarHBondContact O-N 3.19Å; T230-N552 WeakPolarHBondContact OG1-CB 3.07Å; T230-N552 PolarHBondContact OG1-O 3.34Å |
| 231 | T | 84.6 | Confident | 84.3 | Confident | 27 Ų | 27 | 22.6 Ų | 22.6 | 17% | 0.166 | 12% | 0.117 | C | C | . | . | trans | -110 | 140 | 168.5 | 47.8 | 0 | 0 | 0 | 0 | 108.6 | S149 R233 P551 F592 | S149-T231 PolarHBondContact OG-N 3.45Å; S149-T231 PolarHBondContact OG-OG1 3.03Å; T231-R233 PolarHBondContact O-N 3.36Å; T231-P551 HydrophobicContact CG2-CB 4.31Å; T231-F592 HydrophobicContact CG2-CD2 4.39Å; T231-F592 HydrophobicContact CG2-CE1 4.01Å; T231-F592 HydrophobicContact CG2-CE2 3.51Å; T231-F592 HydrophobicContact CG2-CZ 3.29Å | ||
| 232 | P | 73.5 | Confident | 83.7 | Confident | 4 Ų | 4 | 20.6 Ų | 20.6 | 3% | 0.026 | 10% | 0.104 | C | C | . | . | trans | -51.7 | 133.2 | 174 | -24.8 | 33.7 | 0 | 0 | 0 | 110.2 | A234 H470 V474 | P232-A234 HydrophobicContact CB-CB 4.14Å; P232-A234 PolarHBondContact O-N 3.15Å; P232-H470 VanDerWaalsContact CD-CE1 3.47Å; P232-H470 WeakPolarHBondContact CD-CE1 3.36Å; P232-V474 HydrophobicContact CB-CB 4.47Å; P232-V474 HydrophobicContact CB-CG1 3.78Å; P232-V474 HydrophobicContact CB-CG2 3.9Å; P232-V474 HydrophobicContact CG-CG1 3.75Å; P232-V474 HydrophobicContact CG-CG2 4.46Å | ||
| 233 | R | 69 | Low | 82.9 | Confident | 74 Ų | 74 | 22.3 Ų | 22.3 | 28% | 0.279 | 12% | 0.116 | S | C | . | . | trans | -76.1 | 36.1 | 166.6 | -60 | -169.4 | -157.8 | 146.1 | 8.9 | 111.6 | T231 E465 E467 D468 P469 | T231-R233 PolarHBondContact O-N 3.36Å; R233-E465 PolarHBondContact NH1-O 3.21Å; R233-E467 PolarHBondContact NH1-O 3.46Å; R233-E467 VanDerWaalsContact NH1-O 3.11Å; R233-E467 PolarHBondContact NH2-O 3.4Å; R233-D468 WeakPolarHBondContact CB-OD2 3.37Å; R233-D468 PolarHBondContact N-OD2 3.11Å; R233-P469 VanDerWaalsContact CZ-CD 3.46Å; R233-P469 VanDerWaalsContact NE-CD 3.27Å; R233-P469 VanDerWaalsContact NH2-CG 3.3Å | ||
| 234 | A | 59.3 | Low | 82 | Confident | 9 Ų | 9 | 22.7 Ų | 22.7 | 7% | 0.074 | 12% | 0.117 | C | C | . | . | trans | -59.6 | 137.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | P232 L236 T529 | P232-A234 HydrophobicContact CB-CB 4.14Å; P232-A234 PolarHBondContact O-N 3.15Å; A234-L236 HydrophobicContact CB-CB 4.24Å; A234-L236 HydrophobicContact CB-CD1 3.76Å; A234-L236 HydrophobicContact CB-CG 3.79Å; A234-L236 PolarHBondContact O-N 3.25Å; A234-T529 WeakPolarHBondContact CA-OG1 3.5Å; A234-T529 WeakPolarHBondContact CB-OG1 3.39Å | ||
| 235 | E | 65.8 | Low | 80.7 | Confident | 94 Ų | 94 | 30 Ų | 30 | 44% | 0.439 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -62.3 | 21.7 | 173.1 | -63.1 | 164.6 | -174.9 | 0 | 0 | 112.7 | T529 | E235-T529 HydrophobicContact CB-CG2 4.49Š|
| 236 | L | 73.9 | Confident | 78.9 | Confident | 12 Ų | 12 | 31.9 Ų | 31.9 | 6% | 0.063 | 16% | 0.161 | C | C | . | . | trans | -78.3 | 128.9 | -180 | -66.6 | 173.6 | 0 | 0 | 0 | 109.9 | A234 I240 L241 T529 C532 L533 C549 | A234-L236 HydrophobicContact CB-CB 4.24Å; A234-L236 HydrophobicContact CB-CD1 3.76Å; A234-L236 HydrophobicContact CB-CG 3.79Å; A234-L236 PolarHBondContact O-N 3.25Å; L236-I240 HydrophobicContact CD2-CD1 4.18Å; L236-I240 HydrophobicContact CD2-CG2 4.38Å; L236-L241 HydrophobicContact CB-CD2 4.31Å; L236-L241 HydrophobicContact CB-CG 4.48Å; L236-L241 HydrophobicContact CD1-CD2 4.25Å; L236-T529 HydrophobicContact CD2-CG2 3.83Å; L236-T529 HydrophobicContact CG-CG2 4.04Å; L236-C532 HydrophobicContact CD1-CB 4.24Å; L236-L533 HydrophobicContact CD2-CD1 4.33Å; L236-L533 HydrophobicContact CD2-CD2 3.64Å; L236-L533 HydrophobicContact CD2-CG 3.8Å; L236-C549 HydrophobicContact CD1-CB 3.86Å | ||
| 237 | P | 76.4 | Confident | 76.5 | Confident | 34 Ų | 34 | 36.5 Ų | 36.5 | 22% | 0.221 | 19% | 0.189 | C | C | . | . | trans | -53.4 | 146.2 | 168.5 | -28.1 | 35.8 | 0 | 0 | 0 | 112.7 | E239 I240 L241 | P237-E239 HydrophobicContact CB-CG 3.76Å; P237-E239 PolarHBondContact O-N 3.27Å; P237-E239 VanDerWaalsContact O-N 3.14Å; P237-I240 HydrophobicContact CB-CG1 4.37Å; P237-I240 HydrophobicContact CG-CD1 4.36Å; P237-I240 WeakPolarHBondContact O-CB 3.4Å; P237-I240 PolarHBondContact O-N 3.38Å; P237-L241 PolarHBondContact O-N 3.5Å | ||
| 238 | M | 79.7 | Confident | 74.1 | Confident | 37 Ų | 37 | 44 Ų | 44 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.2 | -31.2 | 178.5 | -81.7 | -68.5 | -67 | 0 | 0 | 113.5 | I240 L241 L242 F592 | M238-I240 VanDerWaalsContact C-N 3.3Å; M238-I240 PolarHBondContact O-N 3.22Å; M238-L241 PolarHBondContact O-N 2.86Å; M238-L241 HydrophobicContact SD-CD1 4.08Å; M238-L242 HydrophobicContact CE-CD1 4Å; M238-L242 HydrophobicContact CE-CG 4.42Å; M238-L242 WeakPolarHBondContact O-CB 3.43Å; M238-L242 WeakPolarHBondContact O-CG 3.46Å; M238-L242 PolarHBondContact O-N 2.88Å; M238-F592 HydrophobicContact CE-CE2 4.24Å; M238-F592 HydrophobicContact CE-CZ 4.22Å |
| 239 | E | 80.7 | Confident | 71.3 | Confident | 46 Ų | 46 | 53.1 Ų | 53.1 | 22% | 0.215 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.2 | -35.2 | 174.4 | 57.2 | -168.3 | -135.7 | 0 | 0 | 112.8 | P237 S243 I244 T246 | P237-E239 HydrophobicContact CB-CG 3.76Å; P237-E239 PolarHBondContact O-N 3.27Å; P237-E239 VanDerWaalsContact O-N 3.14Å; E239-S243 CarbonylContact O-C 3.59Å; E239-S243 WeakPolarHBondContact O-CA 3.07Å; E239-S243 PolarHBondContact O-N 2.7Å; E239-I244 HydrophobicContact CB-CB 4.11Å; E239-I244 PolarHBondContact O-N 3.28Å; E239-T246 HydrophobicContact CG-CG2 4.46Å; E239-T246 WeakPolarHBondContact OE1-CG2 3.35Å; E239-T246 PolarHBondContact OE1-OG1 3.15Å; E239-T246 VanDerWaalsContact OE2-CG2 3.24Å; E239-T246 WeakPolarHBondContact OE2-CG2 3.44Å |
| 240 | I | 82.5 | Confident | 68.5 | Low | 34 Ų | 34 | 61.4 Ų | 61.4 | 17% | 0.174 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.3 | -46.4 | 174.9 | -57 | -170.4 | 0 | 0 | 0 | 109.9 | L236 P237 M238 L242 S243 L533 Q536 | L236-I240 HydrophobicContact CD2-CD1 4.18Å; L236-I240 HydrophobicContact CD2-CG2 4.38Å; P237-I240 HydrophobicContact CB-CG1 4.37Å; P237-I240 HydrophobicContact CG-CD1 4.36Å; P237-I240 WeakPolarHBondContact O-CB 3.4Å; P237-I240 PolarHBondContact O-N 3.38Å; M238-I240 VanDerWaalsContact C-N 3.3Å; M238-I240 PolarHBondContact O-N 3.22Å; I240-L242 PolarHBondContact O-N 2.8Å; I240-S243 PolarHBondContact O-N 3.23Å; I240-S243 VanDerWaalsContact O-N 3.12Å; I240-L533 HydrophobicContact CD1-CD2 3.78Å; I240-Q536 VanDerWaalsContact CG2-NE2 3.27Å |
| 241 | L | 83.9 | Confident | 65.9 | Low | 18 Ų | 18 | 68.8 Ų | 68.8 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.8 | -34.7 | 177.9 | -64.4 | -179 | 0 | 0 | 0 | 112.5 | L236 P237 M238 C549 F592 | L236-L241 HydrophobicContact CB-CD2 4.31Å; L236-L241 HydrophobicContact CB-CG 4.48Å; L236-L241 HydrophobicContact CD1-CD2 4.25Å; P237-L241 PolarHBondContact O-N 3.5Å; M238-L241 PolarHBondContact O-N 2.86Å; M238-L241 HydrophobicContact SD-CD1 4.08Å; L241-C549 HydrophobicContact CD2-CB 3.74Å; L241-F592 HydrophobicContact CB-CE1 4.32Å; L241-F592 HydrophobicContact CB-CZ 4.39Å |
| 242 | L | 84.9 | Confident | 63.2 | Low | 8 Ų | 8 | 72.1 Ų | 72.1 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 3 | 179.1 | -65.9 | 177 | 0 | 0 | 0 | 113.8 | V128 M238 I240 I244 R586 P591 F592 | V128-L242 HydrophobicContact CG2-CD1 3.57Å; M238-L242 HydrophobicContact CE-CD1 4Å; M238-L242 HydrophobicContact CE-CG 4.42Å; M238-L242 WeakPolarHBondContact O-CB 3.43Å; M238-L242 WeakPolarHBondContact O-CG 3.46Å; M238-L242 PolarHBondContact O-N 2.88Å; I240-L242 PolarHBondContact O-N 2.8Å; L242-I244 HydrophobicContact CB-CD1 3.74Å; L242-I244 HydrophobicContact CB-CG1 3.99Å; L242-I244 HydrophobicContact CD1-CD1 4.03Å; L242-I244 PolarHBondContact O-N 2.82Å; L242-R586 PolarHBondContact O-NH2 3.11Å; L242-P591 HydrophobicContact CD1-CB 3.96Å; L242-P591 HydrophobicContact CD1-CG 4.3Å; L242-P591 HydrophobicContact CD2-CB 3.87Å; L242-P591 HydrophobicContact CD2-CG 4.33Å; L242-F592 HydrophobicContact CD2-CD1 3.68Å; L242-F592 HydrophobicContact CD2-CD2 4.36Å; L242-F592 HydrophobicContact CD2-CE1 3.52Å; L242-F592 HydrophobicContact CD2-CE2 4.22Å; L242-F592 HydrophobicContact CD2-CG 4.11Å; L242-F592 HydrophobicContact CD2-CZ 3.8Å; L242-F592 HydrophobicContact CG-CE1 4.34Å; L242-F592 HydrophobicContact CG-CZ 4.37Å |
| 243 | S | 82.4 | Confident | 61.2 | Low | 37 Ų | 37 | 75.1 Ų | 75.1 | 26% | 0.259 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 38.9 | -177.3 | -47.2 | 0 | 0 | 0 | 0 | 113.7 | E239 I240 L548 | E239-S243 CarbonylContact O-C 3.59Å; E239-S243 WeakPolarHBondContact O-CA 3.07Å; E239-S243 PolarHBondContact O-N 2.7Å; I240-S243 PolarHBondContact O-N 3.23Å; I240-S243 VanDerWaalsContact O-N 3.12Å; S243-L548 WeakPolarHBondContact OG-CD2 3.45Å |
| 244 | I | 79.3 | Confident | 59.6 | Low | 9 Ų | 9 | 73.8 Ų | 73.8 | 5% | 0.046 | 39% | 0.389 | C | S | . | . | trans | -88.5 | 118 | 175.2 | -65.5 | 165.1 | 0 | 0 | 0 | 107.3 | C99 E127 V128 E239 L242 T246 | C99-I244 HydrophobicContact CB-CD1 3.4Å; E127-I244 HydrophobicContact CB-CD1 4.04Å; E127-I244 HydrophobicContact CG-CG2 4.44Å; V128-I244 HydrophobicContact CG2-CD1 4.39Å; E239-I244 HydrophobicContact CB-CB 4.11Å; E239-I244 PolarHBondContact O-N 3.28Å; L242-I244 HydrophobicContact CB-CD1 3.74Å; L242-I244 HydrophobicContact CB-CG1 3.99Å; L242-I244 HydrophobicContact CD1-CD1 4.03Å; L242-I244 PolarHBondContact O-N 2.82Å; I244-T246 PolarHBondContact O-N 3.03Å | ||
| 245 | K | 69.9 | Low | 58.3 | Low | 154 Ų | 154 | 75.9 Ų | 75.9 | 67% | 0.67 | 40% | 0.403 | S | S | * | . | trans | -75.6 | 105.8 | -178.8 | -67.6 | -177.4 | -178 | 173.7 | 0 | 110.4 | N599 | K245-N599 PolarHBondContact NZ-OD1 3.5Š| ||
| 246 | T | 56 | Low | 56.8 | Low | 45 Ų | 45 | 76.8 Ų | 76.8 | 28% | 0.276 | 41% | 0.405 | S | S | . | . | trans | -85.2 | 122.1 | 158.7 | 46.3 | 0 | 0 | 0 | 0 | 107.5 | E239 I244 E248 | E239-T246 HydrophobicContact CG-CG2 4.46Å; E239-T246 WeakPolarHBondContact OE1-CG2 3.35Å; E239-T246 PolarHBondContact OE1-OG1 3.15Å; E239-T246 VanDerWaalsContact OE2-CG2 3.24Å; E239-T246 WeakPolarHBondContact OE2-CG2 3.44Å; I244-T246 PolarHBondContact O-N 3.03Å; T246-E248 PolarHBondContact O-N 2.87Å | ||
| 247 | T | 43.5 | Very low | 54.8 | Low | 97 Ų | 97 | 84.3 Ų | 84.3 | 60% | 0.595 | 44% | 0.437 | S | S | * | . | trans | -77.3 | 111 | 168.7 | 4.6 | 0 | 0 | 0 | 0 | 106.7 | Q102 K249 | Q102-T247 VanDerWaalsContact NE2-N 3.14Å; Q102-T247 PolarHBondContact NE2-OG1 3.15Å; Q102-T247 PolarHBondContact OE1-OG1 3.27Å; T247-K249 PolarHBondContact O-N 3.36Å | ||
| 248 | E | 39.4 | Very low | 52.8 | Low | 181 Ų | 181 | 89.1 Ų | 89.1 | 85% | 0.846 | 46% | 0.461 | S | S | * | . | trans | -70.9 | 47.5 | 176.9 | -65.1 | -166.3 | 158.1 | 0 | 0 | 112.9 | T246 E250 | T246-E248 PolarHBondContact O-N 2.87Å; E248-E250 PolarHBondContact O-N 2.88Å | ||
| 249 | K | 33.4 | Very low | 50.5 | Low | 191 Ų | 191 | 90.8 Ų | 90.8 | 83% | 0.83 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -76.9 | 89.1 | 158.2 | -87.9 | -170.3 | 175.1 | -177.5 | 0 | 107.1 | T247 M251 | T247-K249 PolarHBondContact O-N 3.36Å; K249-M251 PolarHBondContact O-N 3.12Å |
| 250 | E | 32.9 | Very low | 48.1 | Very low | 175 Ų | 175 | 95.4 Ų | 95.4 | 82% | 0.818 | 50% | 0.502 | S | S | * | . | trans | 20.7 | 88.6 | 158.2 | -64.4 | -174.3 | 166.1 | 0 | 0 | 113.5 | E248 S252 | E248-E250 PolarHBondContact O-N 2.88Å; E250-S252 PolarHBondContact O-N 3.17Å | ||
| 251 | M | 32.4 | Very low | 45.4 | Very low | 158 Ų | 158 | 101.5 Ų | 101.5 | 78% | 0.778 | 53% | 0.53 | S | S | * | . | trans | -66.1 | 76.2 | 160.5 | -83 | 161.7 | 55 | 0 | 0 | 107.8 | L138 K249 A253 | L138-M251 HydrophobicContact CD2-CE 3.88Å; K249-M251 PolarHBondContact O-N 3.12Å; M251-A253 VanDerWaalsContact C-N 3.28Å; M251-A253 PolarHBondContact O-N 3.46Å | ||
| 252 | S | 29.2 | Very low | 42.7 | Very low | 97 Ų | 97 | 108.4 Ų | 108.4 | 68% | 0.678 | 56% | 0.562 | S | S | * | * | trans | -62.8 | 98.3 | 162.2 | 56.4 | 0 | 0 | 0 | 0 | 106.6 | E250 S254 | E250-S252 PolarHBondContact O-N 3.17Å; S252-S254 VanDerWaalsContact C-N 3.28Å; S252-S254 PolarHBondContact O-N 2.86Å | ||
| 253 | A | 31.6 | Very low | 39.9 | Very low | 67 Ų | 67 | 117.6 Ų | 117.6 | 55% | 0.554 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -65.1 | 88.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109 | M251 | M251-A253 VanDerWaalsContact C-N 3.28Å; M251-A253 PolarHBondContact O-N 3.46Å |
| 254 | S | 34 | Very low | 37.4 | Very low | 46 Ų | 46 | 121.8 Ų | 121.8 | 32% | 0.322 | 63% | 0.625 | S | S | . | * | trans | -158.9 | 74.4 | 153 | 39.9 | 0 | 0 | 0 | 0 | 110.2 | S252 F256 K257 | S252-S254 VanDerWaalsContact C-N 3.28Å; S252-S254 PolarHBondContact O-N 2.86Å; S254-F256 PolarHBondContact O-N 2.91Å; S254-K257 PolarHBondContact O-N 2.83Å | ||
| 255 | P | 32.9 | Very low | 35 | Very low | 54 Ų | 54 | 124 Ų | 124 | 35% | 0.351 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.7 | -13.7 | 179.8 | -9.6 | 26.2 | 0 | 0 | 0 | 113.3 | D136 K257 | D136-P255 HydrophobicContact CB-CB 4.12Å; D136-P255 WeakPolarHBondContact OD1-CB 3.2Å; P255-K257 PolarHBondContact O-N 3.31Å; P255-K257 VanDerWaalsContact O-N 3.16Å |
| 256 | F | 34.5 | Very low | 33.2 | Very low | 112 Ų | 112 | 119 Ų | 119 | 49% | 0.491 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.9 | 36.2 | 167.2 | -78.1 | -80.9 | 0 | 0 | 0 | 113 | S254 N258 | S254-F256 PolarHBondContact O-N 2.91Å; F256-N258 PolarHBondContact O-N 3.02Å; F256-N258 VanDerWaalsContact O-N 3.11Å |
| 257 | K | 30.9 | Very low | 32.2 | Very low | 170 Ų | 170 | 121.8 Ų | 121.8 | 74% | 0.739 | 65% | 0.645 | S | S | * | * | trans | -73.3 | 85.2 | 140.5 | -77.7 | -175.9 | -178.5 | 174 | 0 | 105.9 | S254 P255 S259 | S254-K257 PolarHBondContact O-N 2.83Å; P255-K257 PolarHBondContact O-N 3.31Å; P255-K257 VanDerWaalsContact O-N 3.16Å; K257-S259 PolarHBondContact O-N 2.88Å | ||
| 258 | N | 35.3 | Very low | 31.9 | Very low | 136 Ų | 136 | 124.7 Ų | 124.7 | 73% | 0.727 | 65% | 0.652 | S | S | * | * | trans | -56.2 | 93.2 | 143 | -90.6 | -6 | 0 | 0 | 0 | 104.7 | F256 | F256-N258 PolarHBondContact O-N 3.02Å; F256-N258 VanDerWaalsContact O-N 3.11Å | ||
| 259 | S | 30.4 | Very low | 31.8 | Very low | 71 Ų | 71 | 120.2 Ų | 120.2 | 50% | 0.497 | 63% | 0.634 | S | S | . | * | trans | -44.5 | 134.4 | 135.5 | 47.5 | 0 | 0 | 0 | 0 | 105.4 | K257 H261 | K257-S259 PolarHBondContact O-N 2.88Å; S259-H261 PolarHBondContact O-N 3.21Å; S259-H261 PolarHBondContact OG-CD2 2.8Å; S259-H261 VanDerWaalsContact OG-CD2 3.28Å | ||
| 260 | D | 31.4 | Very low | 31.8 | Very low | 143 Ų | 143 | 113.8 Ų | 113.8 | 77% | 0.765 | 61% | 0.608 | S | S | * | * | trans | -65.4 | 51.6 | -178.3 | -66.3 | -60.8 | 0 | 0 | 0 | 111.7 | E262 | D260-E262 VanDerWaalsContact C-N 3.25Å; D260-E262 PolarHBondContact O-N 2.68Å | ||
| 261 | H | 26.1 | Very low | 32 | Very low | 162 Ų | 162 | 109.7 Ų | 109.7 | 75% | 0.75 | 60% | 0.595 | S | S | * | * | trans | -82 | 80.3 | 174.4 | -82.3 | -49.9 | 0 | 0 | 0 | 109.3 | S259 R263 | S259-H261 PolarHBondContact O-N 3.21Å; S259-H261 PolarHBondContact OG-CD2 2.8Å; S259-H261 VanDerWaalsContact OG-CD2 3.28Å; H261-R263 PolarHBondContact O-N 2.86Å; H261-R263 VanDerWaalsContact O-N 3.15Å | ||
| 262 | E | 26.3 | Very low | 32.3 | Very low | 164 Ų | 164 | 111.4 Ų | 111.4 | 77% | 0.766 | 59% | 0.592 | S | S | * | * | trans | -29.3 | 104.6 | 155.5 | -64.9 | 172.2 | 161.5 | 0 | 0 | 112.2 | D260 | D260-E262 VanDerWaalsContact C-N 3.25Å; D260-E262 PolarHBondContact O-N 2.68Å | ||
| 263 | R | 25.7 | Very low | 33 | Very low | 200 Ų | 200 | 113.6 Ų | 113.6 | 76% | 0.755 | 59% | 0.592 | S | S | * | * | trans | -96.5 | 107.9 | 164.3 | -89.6 | -174.5 | 175.7 | -172.2 | -0.9 | 109.7 | H261 S265 | H261-R263 PolarHBondContact O-N 2.86Å; H261-R263 VanDerWaalsContact O-N 3.15Å; R263-S265 VanDerWaalsContact C-N 3.27Å; R263-S265 PolarHBondContact O-N 3.34Å | ||
| 264 | S | 30.5 | Very low | 33.8 | Very low | 126 Ų | 126 | 117.2 Ų | 117.2 | 88% | 0.881 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 48.1 | 22.9 | 139.6 | 71.3 | 0 | 0 | 0 | 0 | 120.2 | ||
| 265 | S | 28 | Very low | 34.7 | Very low | 54 Ų | 54 | 121 Ų | 121 | 38% | 0.378 | 61% | 0.608 | S | S | . | * | trans | -91.2 | 145 | 158.2 | 38 | 0 | 0 | 0 | 0 | 109.4 | R263 L270 | R263-S265 VanDerWaalsContact C-N 3.27Å; R263-S265 PolarHBondContact O-N 3.34Å; S265-L270 VanDerWaalsContact OG-CG 3.29Å; S265-L270 WeakPolarHBondContact OG-CG 3.47Å | ||
| 266 | S | 33.2 | Very low | 36.4 | Very low | 50 Ų | 50 | 124.1 Ų | 124.1 | 35% | 0.35 | 62% | 0.622 | S | S | . | * | trans | -57.7 | 148.9 | 174.9 | 71.4 | 0 | 0 | 0 | 0 | 109.6 | E268 D269 L270 | S266-E268 PolarHBondContact O-N 3.12Å; S266-D269 PolarHBondContact O-N 3.32Å; S266-D269 VanDerWaalsContact O-N 3.13Å; S266-D269 PolarHBondContact OG-N 2.9Å; S266-D269 PolarHBondContact OG-OD2 3.11Å; S266-L270 PolarHBondContact O-N 3.49Å | ||
| 267 | P | 34.5 | Very low | 38.5 | Very low | 104 Ų | 104 | 121.6 Ų | 121.6 | 68% | 0.675 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -53.7 | -29.5 | 177.8 | -24.5 | 32.6 | 0 | 0 | 0 | 112.8 | L270 V271 | P267-L270 PolarHBondContact O-N 3.4Å; P267-V271 VanDerWaalsContact O-CG2 3.31Å; P267-V271 WeakPolarHBondContact O-CG2 3.46Å; P267-V271 PolarHBondContact O-N 3.23Å; P267-V271 VanDerWaalsContact O-N 3.16Å |
| 268 | E | 37.9 | Very low | 40.7 | Very low | 158 Ų | 158 | 114.7 Ų | 114.7 | 74% | 0.738 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -72.3 | -37.2 | -178.5 | -63.5 | -179.8 | 163.8 | 0 | 0 | 112.9 | S266 R272 | S266-E268 PolarHBondContact O-N 3.12Å; E268-R272 PolarHBondContact O-N 3.1Å |
| 269 | D | 37 | Very low | 43 | Very low | 87 Ų | 87 | 109.6 Ų | 109.6 | 47% | 0.465 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -71.1 | -34.6 | 174.9 | -69.5 | -46.1 | 0 | 0 | 0 | 111.7 | S266 R272 E273 | S266-D269 PolarHBondContact O-N 3.32Å; S266-D269 VanDerWaalsContact O-N 3.13Å; S266-D269 PolarHBondContact OG-N 2.9Å; S266-D269 PolarHBondContact OG-OD2 3.11Å; D269-R272 PolarHBondContact O-N 3.04Å; D269-E273 PolarHBondContact O-N 3.22Å; D269-E273 VanDerWaalsContact O-N 3.09Å |
| 270 | L | 33.4 | Very low | 45.6 | Very low | 56 Ų | 56 | 106.2 Ų | 106.2 | 29% | 0.293 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.4 | -34 | 177.1 | -80.6 | 160.9 | 0 | 0 | 0 | 113.1 | S265 S266 P267 K274 | S265-L270 VanDerWaalsContact OG-CG 3.29Å; S265-L270 WeakPolarHBondContact OG-CG 3.47Å; S266-L270 PolarHBondContact O-N 3.49Å; P267-L270 PolarHBondContact O-N 3.4Å; L270-K274 VanDerWaalsContact O-CB 3.31Å; L270-K274 WeakPolarHBondContact O-CB 3.43Å; L270-K274 WeakPolarHBondContact O-CG 3.47Å; L270-K274 PolarHBondContact O-N 3.22Å |
| 271 | V | 37.3 | Very low | 48.3 | Very low | 89 Ų | 89 | 103.1 Ų | 103.1 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.7 | -42.3 | 176.8 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | P267 | P267-V271 VanDerWaalsContact O-CG2 3.31Å; P267-V271 WeakPolarHBondContact O-CG2 3.46Å; P267-V271 PolarHBondContact O-N 3.23Å; P267-V271 VanDerWaalsContact O-N 3.16Å |
| 272 | R | 38.6 | Very low | 51.4 | Low | 193 Ų | 193 | 95.4 Ų | 95.4 | 73% | 0.728 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -69 | -41.2 | 179.2 | -88.7 | 176.6 | 62.6 | -158 | -2.9 | 113.8 | E268 D269 | E268-R272 PolarHBondContact O-N 3.1Å; D269-R272 PolarHBondContact O-N 3.04Å |
| 273 | E | 43.4 | Very low | 54.6 | Low | 143 Ų | 143 | 87.6 Ų | 87.6 | 67% | 0.668 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -73.7 | -28.1 | 179.1 | -75.8 | -167.4 | 161.2 | 0 | 0 | 113.6 | D269 E275 T277 | D269-E273 PolarHBondContact O-N 3.22Å; D269-E273 VanDerWaalsContact O-N 3.09Å; E273-E275 VanDerWaalsContact C-N 3.3Å; E273-E275 PolarHBondContact O-N 2.82Å; E273-T277 PolarHBondContact O-OG1 3.02Å |
| 274 | K | 48.1 | Very low | 57.7 | Low | 144 Ų | 144 | 78.3 Ų | 78.3 | 63% | 0.626 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -70.9 | -22.4 | 177.2 | -86.1 | -177.6 | 175.2 | 174.8 | 0 | 113.6 | L270 | L270-K274 VanDerWaalsContact O-CB 3.31Å; L270-K274 WeakPolarHBondContact O-CB 3.43Å; L270-K274 WeakPolarHBondContact O-CG 3.47Å; L270-K274 PolarHBondContact O-N 3.22Å |
| 275 | E | 53.6 | Low | 60.6 | Low | 125 Ų | 125 | 72.3 Ų | 72.3 | 58% | 0.584 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -78.6 | -31.4 | -177.1 | -75.7 | -170.7 | 161.8 | 0 | 0 | 113.4 | E273 R301 | E273-E275 VanDerWaalsContact C-N 3.3Å; E273-E275 PolarHBondContact O-N 2.82Å; E275-R301 PolarHBondContact O-NE 3.04Å; E275-R301 PolarHBondContact O-NH1 3.05Å; E275-R301 PolarHBondContact O-NH2 3.02Å |
| 276 | D | 69.4 | Low | 63.6 | Low | 120 Ų | 120 | 72.4 Ų | 72.4 | 64% | 0.642 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -98.9 | -10.3 | -173.8 | -73.6 | -20.1 | 0 | 0 | 0 | 115.1 | A300 R301 | D276-A300 WeakPolarHBondContact O-CA 3.37Å; D276-R301 PolarHBondContact O-N 2.96Å |
| 277 | T | 76.7 | Confident | 66.3 | Low | 59 Ų | 59 | 73.1 Ų | 73.1 | 36% | 0.362 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 154.8 | -178.5 | 61.6 | 0 | 0 | 0 | 0 | 112.7 | E273 T298 A299 | E273-T277 PolarHBondContact O-OG1 3.02Å; T277-T298 HydrophobicContact CG2-CG2 4.39Å; T277-A299 CarbonylContact C-O 3.56Å; T277-A299 WeakPolarHBondContact CA-O 3.48Å |
| 278 | E | 78.6 | Confident | 68.9 | Low | 25 Ų | 25 | 68.4 Ų | 68.4 | 12% | 0.117 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 143.9 | 173.6 | -171.7 | 150.8 | -166.2 | 0 | 0 | 110.3 | F280 T298 A299 R301 W348 R351 | E278-F280 HydrophobicContact CB-CE2 4.06Å; E278-F280 HydrophobicContact CB-CZ 4.31Å; E278-F280 HydrophobicContact CG-CE2 4.1Å; E278-F280 HydrophobicContact CG-CZ 4.05Å; E278-T298 WeakPolarHBondContact O-CA 3.5Å; E278-A299 PolarHBondContact N-O 2.92Å; E278-A299 PolarHBondContact O-N 3.19Å; E278-R301 HydrophobicContact CB-CG 4.2Å; E278-W348 HydrophobicContact CB-CH2 4.44Å; E278-W348 HydrophobicContact CB-CZ3 3.73Å; E278-W348 HydrophobicContact CG-CZ3 4.18Å; E278-W348 WeakPolarHBondContact OE2-CZ3 3.04Å; E278-R351 IonicContact OE1-NE 2.82Å |
| 279 | A | 82.4 | Confident | 71.2 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 23% | 0.231 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 124.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111 | T296 L297 | A279-T296 HydrophobicContact CB-CG2 4.13Å; A279-L297 CarbonylContact C-O 3.59Å; A279-L297 VanDerWaalsContact CA-O 3.28Å; A279-L297 WeakPolarHBondContact CA-O 3.41Å |
| 280 | F | 85.8 | Confident | 73.7 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 144.9 | 179.3 | -56.8 | -95.2 | 0 | 0 | 0 | 109.8 | E278 T296 L297 A299 L308 W348 C358 L360 | E278-F280 HydrophobicContact CB-CE2 4.06Å; E278-F280 HydrophobicContact CB-CZ 4.31Å; E278-F280 HydrophobicContact CG-CE2 4.1Å; E278-F280 HydrophobicContact CG-CZ 4.05Å; F280-T296 WeakPolarHBondContact O-CA 3.47Å; F280-L297 HydrophobicContact CB-CB 4.34Å; F280-L297 HydrophobicContact CB-CD2 4.44Å; F280-L297 HydrophobicContact CD2-CD2 3.67Å; F280-L297 HydrophobicContact CE2-CD2 4.4Å; F280-L297 HydrophobicContact CG-CD2 4.38Å; F280-L297 PolarHBondContact N-O 3.1Å; F280-L297 PolarHBondContact O-N 2.93Å; F280-A299 HydrophobicContact CE2-CB 4.47Å; F280-L308 HydrophobicContact CD2-CD2 4.34Å; F280-L308 HydrophobicContact CE2-CD2 4.01Å; F280-L308 HydrophobicContact CZ-CD1 4.48Å; F280-W348 AromaticContact CE2-CH2 3.96Å; F280-W348 HydrophobicContact CE2-CH2 3.96Å; F280-W348 HydrophobicContact CE2-CZ3 4.17Å; F280-W348 HydrophobicContact CZ-CE3 4.43Å; F280-W348 AromaticContact CZ-CH2 3.61Å; F280-W348 HydrophobicContact CZ-CH2 3.61Å; F280-W348 HydrophobicContact CZ-CZ2 4.45Å; F280-W348 AromaticContact CZ-CZ3 3.59Å; F280-W348 HydrophobicContact CZ-CZ3 3.59Å; F280-C358 HydrophobicContact CD1-CB 3.72Å; F280-C358 HydrophobicContact CE1-CB 3.91Å; F280-L360 HydrophobicContact CB-CD1 3.99Å; F280-L360 HydrophobicContact CB-CG 4.39Å; F280-L360 HydrophobicContact CD1-CD1 3.71Å; F280-L360 HydrophobicContact CD1-CG 4.09Å; F280-L360 HydrophobicContact CE1-CD1 4.44Å; F280-L360 HydrophobicContact CG-CD1 3.94Å |
| 281 | R | 88.9 | Confident | 76.2 | Confident | 77 Ų | 77 | 65.5 Ų | 65.5 | 29% | 0.291 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 125 | 162.9 | -65.3 | -173.4 | 177.3 | 166 | 0.9 | 107.8 | F283 F294 C358 Q359 L360 | R281-F283 HydrophobicContact CB-CE2 4.21Å; R281-F294 HydrophobicContact CB-CB 4.24Å; R281-F294 HydrophobicContact CB-CD2 3.8Å; R281-F294 HydrophobicContact CB-CE2 4.36Å; R281-F294 HydrophobicContact CB-CG 3.99Å; R281-F294 HydrophobicContact CG-CD2 3.59Å; R281-F294 HydrophobicContact CG-CE2 3.64Å; R281-F294 HydrophobicContact CG-CG 4.1Å; R281-F294 HydrophobicContact CG-CZ 4.17Å; R281-C358 PolarHBondContact N-O 3.15Å; R281-Q359 HydrophobicContact CB-CG 4.31Å; R281-Q359 CarbonylContact O-C 3.53Å; R281-Q359 WeakPolarHBondContact O-CA 3.13Å; R281-L360 PolarHBondContact O-N 2.85Å |
| 282 | I | 90.7 | Very high | 78.5 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.1 | 178.2 | -167.8 | 170.2 | 0 | 0 | 0 | 111.3 | F294 R295 L297 A312 L315 F316 L327 L360 L362 | I282-F294 CarbonylContact O-C 3.6Å; I282-F294 VanDerWaalsContact O-CA 3.26Å; I282-F294 WeakPolarHBondContact O-CA 3.45Å; I282-F294 VanDerWaalsContact O-CB 3.28Å; I282-F294 WeakPolarHBondContact O-CB 3.22Å; I282-R295 HydrophobicContact CG2-CB 3.98Å; I282-R295 WeakPolarHBondContact CG2-O 3.42Å; I282-R295 PolarHBondContact N-O 3.43Å; I282-R295 PolarHBondContact O-N 3.17Å; I282-L297 HydrophobicContact CD1-CD1 4.46Å; I282-L297 HydrophobicContact CG2-CB 4.19Å; I282-A312 HydrophobicContact CD1-CB 3.15Å; I282-L315 HydrophobicContact CG2-CD1 4.39Å; I282-F316 HydrophobicContact CB-CE2 4.22Å; I282-F316 HydrophobicContact CD1-CE2 4.16Å; I282-F316 HydrophobicContact CG1-CE2 3.88Å; I282-F316 HydrophobicContact CG2-CE2 3.59Å; I282-F316 HydrophobicContact CG2-CZ 4.09Å; I282-F316 WeakPolarHBondContact O-CZ 3.45Å; I282-L327 HydrophobicContact CD1-CD2 3.66Å; I282-L360 VanDerWaalsContact CA-O 3.31Å; I282-L360 WeakPolarHBondContact CA-O 3.3Å; I282-L360 HydrophobicContact CB-CB 4.5Å; I282-L360 HydrophobicContact CG1-CB 4.21Å; I282-L362 HydrophobicContact CD1-CB 4.46Å |
| 283 | F | 92 | Very high | 80.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 151.9 | 178.9 | -64.5 | -83.5 | 0 | 0 | 0 | 109.4 | R281 S288 Y289 F294 I330 Q359 L360 M361 L362 | R281-F283 HydrophobicContact CB-CE2 4.21Å; F283-S288 WeakPolarHBondContact CB-OG 3.49Å; F283-Y289 VanDerWaalsContact CD1-CA 3.48Å; F283-Y289 HydrophobicContact CD1-CD2 4.26Å; F283-Y289 HydrophobicContact CD2-CD2 4.05Å; F283-Y289 HydrophobicContact CE1-CD2 4.01Å; F283-Y289 AromaticContact CE2-CD2 3.82Å; F283-Y289 HydrophobicContact CE2-CD2 3.82Å; F283-Y289 HydrophobicContact CE2-CE2 4.34Å; F283-Y289 HydrophobicContact CG-CD2 4.25Å; F283-Y289 AromaticContact CZ-CD2 3.79Å; F283-Y289 HydrophobicContact CZ-CD2 3.79Å; F283-Y289 HydrophobicContact CZ-CE2 4.38Å; F283-F294 HydrophobicContact CD1-CB 3.79Å; F283-F294 HydrophobicContact CD2-CB 4.4Å; F283-F294 HydrophobicContact CE1-CB 3.55Å; F283-F294 HydrophobicContact CE1-CD1 4Å; F283-F294 HydrophobicContact CE1-CG 4.24Å; F283-F294 HydrophobicContact CE2-CB 4.17Å; F283-F294 HydrophobicContact CG-CB 4.24Å; F283-F294 HydrophobicContact CZ-CB 3.76Å; F283-F294 AromaticContact CZ-CD1 3.92Å; F283-F294 HydrophobicContact CZ-CD1 3.92Å; F283-F294 HydrophobicContact CZ-CG 4.17Å; F283-I330 HydrophobicContact CD2-CD1 3.55Å; F283-I330 HydrophobicContact CE2-CD1 3.98Å; F283-I330 HydrophobicContact CG-CD1 4.33Å; F283-Q359 HydrophobicContact CE2-CB 4.35Å; F283-L360 PolarHBondContact N-O 3.3Å; F283-M361 HydrophobicContact CB-CE 3.9Å; F283-M361 HydrophobicContact CB-SD 3.41Å; F283-M361 WeakPolarHBondContact CB-SD 3.35Å; F283-M361 WeakPolarHBondContact O-CA 3.44Å; F283-L362 PolarHBondContact O-N 3.31Å |
| 284 | D | 91.7 | Very high | 82.7 | Confident | 6 Ų | 6 | 54 Ų | 54 | 3% | 0.032 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -108.7 | 8.1 | -178.9 | 72.9 | -57.7 | 0 | 0 | 0 | 113.9 | S288 F316 S452 L453 K454 | D284-S288 PolarHBondContact N-OG 2.81Å; D284-S288 WeakPolarHBondContact OD1-CB 3.46Å; D284-S288 PolarHBondContact OD1-OG 3.03Å; D284-F316 HydrophobicContact CB-CD1 3.75Å; D284-F316 HydrophobicContact CB-CE1 3.6Å; D284-F316 HydrophobicContact CB-CE2 4.39Å; D284-F316 HydrophobicContact CB-CG 4.23Å; D284-F316 HydrophobicContact CB-CZ 3.94Å; D284-S452 PolarHBondContact OD2-OG 3.24Å; D284-L453 HydrophobicContact CB-CB 4.38Å; D284-L453 WeakPolarHBondContact O-CG 3.39Å; D284-L453 PolarHBondContact O-N 3.35Å; D284-L453 PolarHBondContact OD2-N 2.98Å; D284-K454 WeakPolarHBondContact OD2-CB 3.41Å; D284-K454 PolarHBondContact OD2-N 3.12Å |
| 285 | G | 91.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 161.3 | 175.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | S287 S288 Y289 M361 K450 A451 | G285-S287 VanDerWaalsContact C-N 3.3Å; G285-S287 PolarHBondContact O-N 2.98Å; G285-S288 PolarHBondContact N-OG 2.79Å; G285-S288 VanDerWaalsContact N-OG 3.16Å; G285-S288 WeakPolarHBondContact O-CB 3.41Å; G285-S288 PolarHBondContact O-N 3.44Å; G285-S288 VanDerWaalsContact O-N 3.1Å; G285-S288 PolarHBondContact O-OG 2.94Å; G285-Y289 PolarHBondContact O-N 3.21Å; G285-Y289 VanDerWaalsContact O-N 3.11Å; G285-M361 VanDerWaalsContact C-SD 3.57Å; G285-M361 WeakPolarHBondContact CA-SD 3.41Å; G285-M361 PolarHBondContact N-SD 2.99Å; G285-M361 WeakPolarHBondContact O-CE 3.35Å; G285-K450 WeakPolarHBondContact CA-O 3.12Å; G285-A451 CarbonylContact C-O 3.5Å; G285-A451 WeakPolarHBondContact CA-O 3.49Å |
| 286 | D | 91.1 | Very high | 86.1 | Confident | 56 Ų | 56 | 45 Ų | 45 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.2 | -38.8 | -172.9 | -65.4 | -7.8 | 0 | 0 | 0 | 112.5 | Y289 A290 R363 K450 A451 | D286-Y289 PolarHBondContact O-N 2.97Å; D286-A290 WeakPolarHBondContact O-CB 3.46Å; D286-A290 PolarHBondContact O-N 3.39Å; D286-R363 IonicContact OD1-CZ 2.7Å; D286-R363 IonicContact OD1-NH1 3.67Å; D286-R363 PolarHBondContact OD1-NH1 3.18Å; D286-R363 IonicContact OD1-NH2 3.95Å; D286-R363 PolarHBondContact OD1-NH2 3.38Å; D286-K450 PolarHBondContact N-O 2.78Å; D286-K450 WeakPolarHBondContact OD2-CE 3.4Å; D286-K450 WeakPolarHBondContact OD2-CG 3.45Å; D286-A451 PolarHBondContact N-O 2.89Å; D286-A451 VanDerWaalsContact N-O 3.13Å |
| 287 | S | 89.9 | Confident | 86.7 | Confident | 65 Ų | 65 | 39.3 Ų | 39.3 | 46% | 0.455 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69 | -35.4 | 178.4 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | G285 Y289 S291 A451 | G285-S287 VanDerWaalsContact C-N 3.3Å; G285-S287 PolarHBondContact O-N 2.98Å; S287-Y289 VanDerWaalsContact C-N 3.33Å; S287-S291 WeakPolarHBondContact O-CB 3.44Å; S287-S291 PolarHBondContact O-N 3.03Å; S287-S291 PolarHBondContact O-OG 3.43Å; S287-A451 VanDerWaalsContact CB-O 3.31Å; S287-A451 WeakPolarHBondContact CB-O 3.43Å; S287-A451 PolarHBondContact N-O 3.13Å; S287-A451 PolarHBondContact OG-O 3.37Å |
| 288 | S | 88.5 | Confident | 87.1 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 4% | 0.035 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.6 | -37.8 | 175.6 | 78.1 | 0 | 0 | 0 | 0 | 111.2 | F283 D284 G285 S291 N292 N293 | F283-S288 WeakPolarHBondContact CB-OG 3.49Å; D284-S288 PolarHBondContact N-OG 2.81Å; D284-S288 WeakPolarHBondContact OD1-CB 3.46Å; D284-S288 PolarHBondContact OD1-OG 3.03Å; G285-S288 PolarHBondContact N-OG 2.79Å; G285-S288 VanDerWaalsContact N-OG 3.16Å; G285-S288 WeakPolarHBondContact O-CB 3.41Å; G285-S288 PolarHBondContact O-N 3.44Å; G285-S288 VanDerWaalsContact O-N 3.1Å; G285-S288 PolarHBondContact O-OG 2.94Å; S288-S291 PolarHBondContact O-OG 3.45Å; S288-N292 CarbonylContact O-C 3.55Å; S288-N292 PolarHBondContact O-N 3.07Å; S288-N293 WeakPolarHBondContact CB-O 3.41Å; S288-N293 PolarHBondContact O-N 3.45Å |
| 289 | Y | 87.7 | Confident | 87.3 | Confident | 72 Ų | 72 | 39.7 Ų | 39.7 | 28% | 0.282 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69.1 | -47.7 | 174.8 | 178.6 | -110.9 | 0 | 0 | 0 | 112.1 | F283 G285 D286 S287 S291 N292 I330 G334 M361 | F283-Y289 VanDerWaalsContact CD1-CA 3.48Å; F283-Y289 HydrophobicContact CD1-CD2 4.26Å; F283-Y289 HydrophobicContact CD2-CD2 4.05Å; F283-Y289 HydrophobicContact CE1-CD2 4.01Å; F283-Y289 AromaticContact CE2-CD2 3.82Å; F283-Y289 HydrophobicContact CE2-CD2 3.82Å; F283-Y289 HydrophobicContact CE2-CE2 4.34Å; F283-Y289 HydrophobicContact CG-CD2 4.25Å; F283-Y289 AromaticContact CZ-CD2 3.79Å; F283-Y289 HydrophobicContact CZ-CD2 3.79Å; F283-Y289 HydrophobicContact CZ-CE2 4.38Å; G285-Y289 PolarHBondContact O-N 3.21Å; G285-Y289 VanDerWaalsContact O-N 3.11Å; D286-Y289 PolarHBondContact O-N 2.97Å; S287-Y289 VanDerWaalsContact C-N 3.33Å; Y289-S291 VanDerWaalsContact C-N 3.26Å; Y289-S291 PolarHBondContact O-N 2.91Å; Y289-N292 WeakPolarHBondContact O-CA 3.42Å; Y289-N292 PolarHBondContact O-N 2.96Å; Y289-I330 HydrophobicContact CD2-CD1 3.52Å; Y289-I330 HydrophobicContact CE2-CD1 3.73Å; Y289-I330 HydrophobicContact CE2-CG2 3.82Å; Y289-I330 HydrophobicContact CG-CD1 4.19Å; Y289-G334 VanDerWaalsContact OH-CA 3.25Å; Y289-G334 WeakPolarHBondContact OH-CA 3.38Å; Y289-M361 HydrophobicContact CG-CE 4.21Å |
| 290 | A | 88.3 | Confident | 87.2 | Confident | 89 Ų | 89 | 40.4 Ų | 40.4 | 74% | 0.736 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -59.6 | -36.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D286 N292 | D286-A290 WeakPolarHBondContact O-CB 3.46Å; D286-A290 PolarHBondContact O-N 3.39Å; A290-N292 VanDerWaalsContact C-N 3.32Å |
| 291 | S | 85.6 | Confident | 86.7 | Confident | 79 Ų | 79 | 45.6 Ų | 45.6 | 55% | 0.552 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 0.9 | 175.2 | 59.1 | 0 | 0 | 0 | 0 | 114 | S287 S288 Y289 N293 | S287-S291 WeakPolarHBondContact O-CB 3.44Å; S287-S291 PolarHBondContact O-N 3.03Å; S287-S291 PolarHBondContact O-OG 3.43Å; S288-S291 PolarHBondContact O-OG 3.45Å; Y289-S291 VanDerWaalsContact C-N 3.26Å; Y289-S291 PolarHBondContact O-N 2.91Å; S291-N293 PolarHBondContact O-N 3.46Å |
| 292 | N | 85.3 | Confident | 86.2 | Confident | 90 Ų | 90 | 48.2 Ų | 48.2 | 48% | 0.481 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 34.1 | -174 | -167.1 | 37 | 0 | 0 | 0 | 113.4 | S288 Y289 A290 F294 | S288-N292 CarbonylContact O-C 3.55Å; S288-N292 PolarHBondContact O-N 3.07Å; Y289-N292 WeakPolarHBondContact O-CA 3.42Å; Y289-N292 PolarHBondContact O-N 2.96Å; A290-N292 VanDerWaalsContact C-N 3.32Å; N292-F294 WeakPolarHBondContact O-CD1 3.41Å; N292-F294 PolarHBondContact O-N 3.3Å |
| 293 | N | 84.4 | Confident | 85.7 | Confident | 54 Ų | 54 | 48.4 Ų | 48.4 | 29% | 0.289 | 28% | 0.28 | S | S | . | . | trans | -93.4 | 93.3 | 176.9 | -171.9 | 3.1 | 0 | 0 | 0 | 109.5 | S288 S291 | S288-N293 WeakPolarHBondContact CB-O 3.41Å; S288-N293 PolarHBondContact O-N 3.45Å; S291-N293 PolarHBondContact O-N 3.46Å | ||
| 294 | F | 87.2 | Confident | 85.3 | Confident | 39 Ų | 39 | 50.5 Ų | 50.5 | 17% | 0.171 | 29% | 0.292 | C | S | . | . | trans | -117.7 | 160.6 | -179.7 | 59.1 | -88.6 | 0 | 0 | 0 | 112.1 | R281 I282 F283 N292 | R281-F294 HydrophobicContact CB-CB 4.24Å; R281-F294 HydrophobicContact CB-CD2 3.8Å; R281-F294 HydrophobicContact CB-CE2 4.36Å; R281-F294 HydrophobicContact CB-CG 3.99Å; R281-F294 HydrophobicContact CG-CD2 3.59Å; R281-F294 HydrophobicContact CG-CE2 3.64Å; R281-F294 HydrophobicContact CG-CG 4.1Å; R281-F294 HydrophobicContact CG-CZ 4.17Å; I282-F294 CarbonylContact O-C 3.6Å; I282-F294 VanDerWaalsContact O-CA 3.26Å; I282-F294 WeakPolarHBondContact O-CA 3.45Å; I282-F294 VanDerWaalsContact O-CB 3.28Å; I282-F294 WeakPolarHBondContact O-CB 3.22Å; F283-F294 HydrophobicContact CD1-CB 3.79Å; F283-F294 HydrophobicContact CD2-CB 4.4Å; F283-F294 HydrophobicContact CE1-CB 3.55Å; F283-F294 HydrophobicContact CE1-CD1 4Å; F283-F294 HydrophobicContact CE1-CG 4.24Å; F283-F294 HydrophobicContact CE2-CB 4.17Å; F283-F294 HydrophobicContact CG-CB 4.24Å; F283-F294 HydrophobicContact CZ-CB 3.76Å; F283-F294 AromaticContact CZ-CD1 3.92Å; F283-F294 HydrophobicContact CZ-CD1 3.92Å; F283-F294 HydrophobicContact CZ-CG 4.17Å; N292-F294 WeakPolarHBondContact O-CD1 3.41Å; N292-F294 PolarHBondContact O-N 3.3Å | ||
| 295 | R | 84.9 | Confident | 84.8 | Confident | 26 Ų | 26 | 51 Ų | 51 | 10% | 0.098 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 150.6 | 161.7 | -62.9 | -172 | -174 | -85.9 | 3.2 | 110 | E139 I282 L315 F316 | E139-R295 VanDerWaalsContact CD-NH2 3.3Å; E139-R295 IonicContact OE1-CZ 3.26Å; E139-R295 VanDerWaalsContact OE1-CZ 3.26Å; E139-R295 IonicContact OE1-NH1 3.66Å; E139-R295 PolarHBondContact OE1-NH1 2.93Å; E139-R295 IonicContact OE1-NH2 3.86Å; E139-R295 PolarHBondContact OE1-NH2 3.09Å; E139-R295 IonicContact OE2-NH2 3.42Å; E139-R295 PolarHBondContact OE2-NH2 2.82Å; I282-R295 HydrophobicContact CG2-CB 3.98Å; I282-R295 WeakPolarHBondContact CG2-O 3.42Å; I282-R295 PolarHBondContact N-O 3.43Å; I282-R295 PolarHBondContact O-N 3.17Å; R295-L315 WeakPolarHBondContact CD-O 3.27Å; R295-L315 PolarHBondContact NE-O 3.07Å; R295-F316 HydrophobicContact CB-CZ 4.18Å; R295-F316 HydrophobicContact CG-CE1 3.94Å; R295-F316 HydrophobicContact CG-CZ 3.97Å |
| 296 | T | 86.9 | Confident | 84.4 | Confident | 53 Ų | 53 | 54.3 Ų | 54.3 | 33% | 0.325 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 118.1 | 172.5 | -58.8 | 0 | 0 | 0 | 0 | 108.7 | A279 F280 | A279-T296 HydrophobicContact CB-CG2 4.13Å; F280-T296 WeakPolarHBondContact O-CA 3.47Å |
| 297 | L | 83.5 | Confident | 84.1 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 127.8 | 174.3 | -179.7 | 155.5 | 0 | 0 | 0 | 108.2 | A279 F280 I282 A299 L308 V311 A312 L315 | A279-L297 CarbonylContact C-O 3.59Å; A279-L297 VanDerWaalsContact CA-O 3.28Å; A279-L297 WeakPolarHBondContact CA-O 3.41Å; F280-L297 HydrophobicContact CB-CB 4.34Å; F280-L297 HydrophobicContact CB-CD2 4.44Å; F280-L297 HydrophobicContact CD2-CD2 3.67Å; F280-L297 HydrophobicContact CE2-CD2 4.4Å; F280-L297 HydrophobicContact CG-CD2 4.38Å; F280-L297 PolarHBondContact N-O 3.1Å; F280-L297 PolarHBondContact O-N 2.93Å; I282-L297 HydrophobicContact CD1-CD1 4.46Å; I282-L297 HydrophobicContact CG2-CB 4.19Å; L297-A299 HydrophobicContact CD2-CB 3.87Å; L297-L308 WeakPolarHBondContact CD1-O 3.46Å; L297-L308 HydrophobicContact CD2-CD2 3.56Å; L297-V311 HydrophobicContact CD1-CB 3.85Å; L297-V311 HydrophobicContact CD1-CG1 3.76Å; L297-V311 HydrophobicContact CD2-CG1 4.45Å; L297-V311 HydrophobicContact CG-CB 4.19Å; L297-V311 HydrophobicContact CG-CG1 3.65Å; L297-A312 HydrophobicContact CD1-CB 4.11Å; L297-L315 HydrophobicContact CB-CD1 3.64Å; L297-L315 HydrophobicContact CD1-CD1 4.06Å; L297-L315 HydrophobicContact CG-CD1 3.96Å |
| 298 | T | 84.2 | Confident | 84 | Confident | 79 Ų | 79 | 53.2 Ų | 53.2 | 49% | 0.485 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.3 | 173.5 | -51.5 | 0 | 0 | 0 | 0 | 108.9 | T277 E278 | T277-T298 HydrophobicContact CG2-CG2 4.39Å; E278-T298 WeakPolarHBondContact O-CA 3.5Å |
| 299 | A | 82.2 | Confident | 84 | Confident | 13 Ų | 13 | 53.6 Ų | 53.6 | 11% | 0.107 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 159.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | T277 E278 F280 L297 A303 L308 | T277-A299 CarbonylContact C-O 3.56Å; T277-A299 WeakPolarHBondContact CA-O 3.48Å; E278-A299 PolarHBondContact N-O 2.92Å; E278-A299 PolarHBondContact O-N 3.19Å; F280-A299 HydrophobicContact CE2-CB 4.47Å; L297-A299 HydrophobicContact CD2-CB 3.87Å; A299-A303 HydrophobicContact CB-CB 3.92Å; A299-L308 HydrophobicContact CB-CD2 3.4Å |
| 300 | A | 81.8 | Confident | 83.8 | Confident | 43 Ų | 43 | 54.5 Ų | 54.5 | 36% | 0.355 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 147.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | D276 N302 A303 W348 | D276-A300 WeakPolarHBondContact O-CA 3.37Å; A300-N302 VanDerWaalsContact CB-OD1 3.23Å; A300-N302 WeakPolarHBondContact CB-OD1 3.4Å; A300-N302 PolarHBondContact O-N 2.87Å; A300-A303 WeakPolarHBondContact O-CB 3.26Å; A300-A303 PolarHBondContact O-N 3.48Å; A300-W348 WeakPolarHBondContact O-CH2 3.47Å; A300-W348 WeakPolarHBondContact O-CZ2 3.45Å |
| 301 | R | 75.4 | Confident | 83.5 | Confident | 110 Ų | 110 | 51.9 Ų | 51.9 | 42% | 0.415 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -9.5 | -178.8 | -74.6 | -175 | -173.3 | 170 | 11.2 | 115.6 | E275 D276 E278 W348 | E275-R301 PolarHBondContact O-NE 3.04Å; E275-R301 PolarHBondContact O-NH1 3.05Å; E275-R301 PolarHBondContact O-NH2 3.02Å; D276-R301 PolarHBondContact O-N 2.96Å; E278-R301 HydrophobicContact CB-CG 4.2Å; R301-W348 VanDerWaalsContact CA-CH2 3.47Å; R301-W348 VanDerWaalsContact CA-CZ3 3.46Å; R301-W348 HydrophobicContact CB-CE3 4.38Å; R301-W348 HydrophobicContact CB-CZ3 4.2Å; R301-W348 HydrophobicContact CG-CZ3 4.23Å; R301-W348 WeakPolarHBondContact O-CZ2 3.47Å; R301-W348 PolarHBondContact O-NE1 3.37Å |
| 302 | N | 77.4 | Confident | 83.6 | Confident | 132 Ų | 132 | 48.1 Ų | 48.1 | 71% | 0.706 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 11.2 | 175 | 65.6 | -17.1 | 0 | 0 | 0 | 112.3 | A300 T304 | A300-N302 VanDerWaalsContact CB-OD1 3.23Å; A300-N302 WeakPolarHBondContact CB-OD1 3.4Å; A300-N302 PolarHBondContact O-N 2.87Å; N302-T304 PolarHBondContact O-N 3.44Å |
| 303 | A | 80.4 | Confident | 83.7 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | trans | -64.9 | 134.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A299 A300 Q307 L308 W348 | A299-A303 HydrophobicContact CB-CB 3.92Å; A300-A303 WeakPolarHBondContact O-CB 3.26Å; A300-A303 PolarHBondContact O-N 3.48Å; A303-Q307 VanDerWaalsContact CA-OE1 3.23Å; A303-Q307 HydrophobicContact CB-CB 4.39Å; A303-L308 HydrophobicContact CB-CD2 4.22Å; A303-L308 HydrophobicContact CB-CG 4.41Å; A303-W348 HydrophobicContact CB-CZ2 4.15Å; A303-W348 WeakPolarHBondContact O-CZ2 3.1Å | ||
| 304 | T | 83.5 | Confident | 83.3 | Confident | 44 Ų | 44 | 47.7 Ų | 47.7 | 27% | 0.27 | 25% | 0.245 | S | C | . | . | trans | -74.2 | 159.9 | 176.6 | 64.4 | 0 | 0 | 0 | 0 | 111 | N302 D306 Q307 L308 D344 | N302-T304 PolarHBondContact O-N 3.44Å; T304-D306 PolarHBondContact O-N 3.15Å; T304-Q307 VanDerWaalsContact N-OE1 3.07Å; T304-Q307 WeakPolarHBondContact O-CB 3.48Å; T304-Q307 PolarHBondContact O-N 2.93Å; T304-Q307 WeakPolarHBondContact OG1-CG 3.27Å; T304-Q307 PolarHBondContact OG1-N 3.42Å; T304-L308 PolarHBondContact O-N 3.45Å; T304-D344 WeakPolarHBondContact CA-OD1 3.06Å | ||
| 305 | A | 80.3 | Confident | 83 | Confident | 17 Ų | 17 | 48.4 Ų | 48.4 | 14% | 0.14 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -54.9 | -37.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L308 L309 I341 D344 L347 | A305-L308 PolarHBondContact O-N 3.35Å; A305-L309 WeakPolarHBondContact O-CB 3.23Å; A305-L309 PolarHBondContact O-N 3Å; A305-I341 HydrophobicContact CB-CG2 4.26Å; A305-I341 WeakPolarHBondContact CB-O 2.89Å; A305-D344 PolarHBondContact N-OD1 2.78Å; A305-L347 HydrophobicContact CB-CD1 4.36Å |
| 306 | D | 84.1 | Confident | 82.7 | Confident | 68 Ų | 68 | 47.8 Ų | 47.8 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.6 | -45 | 173.8 | 178.7 | 87.4 | 0 | 0 | 0 | 112.5 | T304 L309 K310 Q322 | T304-D306 PolarHBondContact O-N 3.15Å; D306-L309 PolarHBondContact O-N 3.15Å; D306-K310 WeakPolarHBondContact O-CG 3.4Å; D306-K310 PolarHBondContact O-N 3.27Å; D306-K310 IonicContact OD1-NZ 3.24Å; D306-K310 VanDerWaalsContact OD2-CE 3.3Å; D306-K310 WeakPolarHBondContact OD2-CE 3.45Å; D306-K310 IonicContact OD2-NZ 2.79Å; D306-K310 PolarHBondContact OD2-NZ 2.85Å; D306-Q322 PolarHBondContact OD1-NE2 3.44Å |
| 307 | Q | 85.1 | Confident | 82.1 | Confident | 99 Ų | 99 | 47.7 Ų | 47.7 | 46% | 0.463 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.8 | -40.7 | 177.4 | -71.6 | 170.6 | -10.3 | 0 | 0 | 111.5 | A303 T304 K310 V311 | A303-Q307 VanDerWaalsContact CA-OE1 3.23Å; A303-Q307 HydrophobicContact CB-CB 4.39Å; T304-Q307 VanDerWaalsContact N-OE1 3.07Å; T304-Q307 WeakPolarHBondContact O-CB 3.48Å; T304-Q307 PolarHBondContact O-N 2.93Å; T304-Q307 WeakPolarHBondContact OG1-CG 3.27Å; T304-Q307 PolarHBondContact OG1-N 3.42Å; Q307-K310 PolarHBondContact O-N 3.29Å; Q307-V311 WeakPolarHBondContact O-CG2 3.42Å; Q307-V311 PolarHBondContact O-N 3.46Å |
| 308 | L | 86.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.5 | -44.7 | 173.7 | -66.3 | 177.2 | 0 | 0 | 0 | 111.1 | F280 L297 A299 A303 T304 A305 K310 V311 A312 L327 L347 | F280-L308 HydrophobicContact CD2-CD2 4.34Å; F280-L308 HydrophobicContact CE2-CD2 4.01Å; F280-L308 HydrophobicContact CZ-CD1 4.48Å; L297-L308 WeakPolarHBondContact CD1-O 3.46Å; L297-L308 HydrophobicContact CD2-CD2 3.56Å; A299-L308 HydrophobicContact CB-CD2 3.4Å; A303-L308 HydrophobicContact CB-CD2 4.22Å; A303-L308 HydrophobicContact CB-CG 4.41Å; T304-L308 PolarHBondContact O-N 3.45Å; A305-L308 PolarHBondContact O-N 3.35Å; L308-K310 PolarHBondContact O-N 3.39Å; L308-V311 PolarHBondContact O-N 3.11Å; L308-A312 WeakPolarHBondContact O-CB 3.41Å; L308-A312 PolarHBondContact O-N 3.33Å; L308-L327 HydrophobicContact CB-CD1 3.77Å; L308-L347 HydrophobicContact CD1-CD1 3.7Å; L308-L347 HydrophobicContact CD1-CD2 4.36Å |
| 309 | L | 88.6 | Confident | 81.2 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 6% | 0.063 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.4 | -43.1 | 177.5 | 178.4 | 58.6 | 0 | 0 | 0 | 111.5 | A305 D306 V311 A312 L313 Q322 L327 L362 | A305-L309 WeakPolarHBondContact O-CB 3.23Å; A305-L309 PolarHBondContact O-N 3Å; D306-L309 PolarHBondContact O-N 3.15Å; L309-V311 VanDerWaalsContact C-N 3.33Å; L309-V311 PolarHBondContact O-N 3.17Å; L309-A312 WeakPolarHBondContact O-CB 3.46Å; L309-A312 PolarHBondContact O-N 3.3Å; L309-L313 HydrophobicContact CD1-CD1 4.09Å; L309-L313 HydrophobicContact CD1-CD2 4.41Å; L309-L313 HydrophobicContact CD1-CG 3.98Å; L309-L313 HydrophobicContact CG-CD1 4.06Å; L309-L313 HydrophobicContact CG-CG 4.4Å; L309-L313 VanDerWaalsContact O-CG 3.32Å; L309-L313 WeakPolarHBondContact O-CG 3.4Å; L309-L313 PolarHBondContact O-N 3.05Å; L309-Q322 HydrophobicContact CD2-CG 3.47Å; L309-Q322 VanDerWaalsContact CD2-CG 3.47Å; L309-Q322 HydrophobicContact CG-CG 3.85Å; L309-L327 HydrophobicContact CB-CD1 4.11Å; L309-L327 HydrophobicContact CB-CG 4.27Å; L309-L327 HydrophobicContact CD1-CD2 4.35Å; L309-L327 HydrophobicContact CD1-CG 4.1Å; L309-L362 HydrophobicContact CD1-CD1 3.37Å |
| 310 | K | 83.8 | Confident | 81 | Confident | 91 Ų | 91 | 47.7 Ų | 47.7 | 40% | 0.396 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 174.3 | -75.9 | 173.3 | 177.8 | 154.1 | 0 | 113 | D306 Q307 L308 R314 | D306-K310 WeakPolarHBondContact O-CG 3.4Å; D306-K310 PolarHBondContact O-N 3.27Å; D306-K310 IonicContact OD1-NZ 3.24Å; D306-K310 VanDerWaalsContact OD2-CE 3.3Å; D306-K310 WeakPolarHBondContact OD2-CE 3.45Å; D306-K310 IonicContact OD2-NZ 2.79Å; D306-K310 PolarHBondContact OD2-NZ 2.85Å; Q307-K310 PolarHBondContact O-N 3.29Å; L308-K310 PolarHBondContact O-N 3.39Å; K310-R314 VanDerWaalsContact O-CG 3.3Å; K310-R314 WeakPolarHBondContact O-CG 3.34Å; K310-R314 PolarHBondContact O-N 3.29Å; K310-R314 PolarHBondContact O-NE 2.8Å |
| 311 | V | 82.7 | Confident | 80.9 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 21% | 0.212 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70 | -42 | 175.7 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | L297 Q307 L308 L309 R314 L315 | L297-V311 HydrophobicContact CD1-CB 3.85Å; L297-V311 HydrophobicContact CD1-CG1 3.76Å; L297-V311 HydrophobicContact CD2-CG1 4.45Å; L297-V311 HydrophobicContact CG-CB 4.19Å; L297-V311 HydrophobicContact CG-CG1 3.65Å; Q307-V311 WeakPolarHBondContact O-CG2 3.42Å; Q307-V311 PolarHBondContact O-N 3.46Å; L308-V311 PolarHBondContact O-N 3.11Å; L309-V311 VanDerWaalsContact C-N 3.33Å; L309-V311 PolarHBondContact O-N 3.17Å; V311-R314 VanDerWaalsContact CG2-NH2 3.3Å; V311-R314 PolarHBondContact O-N 3.2Å; V311-L315 HydrophobicContact CG1-CD1 4.02Å; V311-L315 HydrophobicContact CG1-CG 4.28Å; V311-L315 VanDerWaalsContact O-CG 3.31Å; V311-L315 WeakPolarHBondContact O-CG 3.41Å; V311-L315 PolarHBondContact O-N 3.39Å |
| 312 | A | 87.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.3 | -54 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I282 L297 L308 L309 R314 L315 F316 L327 | I282-A312 HydrophobicContact CD1-CB 3.15Å; L297-A312 HydrophobicContact CD1-CB 4.11Å; L308-A312 WeakPolarHBondContact O-CB 3.41Å; L308-A312 PolarHBondContact O-N 3.33Å; L309-A312 WeakPolarHBondContact O-CB 3.46Å; L309-A312 PolarHBondContact O-N 3.3Å; A312-R314 VanDerWaalsContact C-N 3.26Å; A312-R314 PolarHBondContact O-N 3.43Å; A312-L315 WeakPolarHBondContact O-CB 3.5Å; A312-L315 PolarHBondContact O-N 3.07Å; A312-L315 VanDerWaalsContact O-N 3.08Å; A312-F316 WeakPolarHBondContact O-CD2 3.25Å; A312-F316 PolarHBondContact O-N 3.45Å; A312-L327 HydrophobicContact CB-CD2 4.13Å |
| 313 | L | 85.7 | Confident | 81.4 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 6% | 0.063 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.8 | -42.9 | 178.8 | -68.4 | 171.3 | 0 | 0 | 0 | 111 | L309 F316 H317 I318 Q322 Y325 L362 | L309-L313 HydrophobicContact CD1-CD1 4.09Å; L309-L313 HydrophobicContact CD1-CD2 4.41Å; L309-L313 HydrophobicContact CD1-CG 3.98Å; L309-L313 HydrophobicContact CG-CD1 4.06Å; L309-L313 HydrophobicContact CG-CG 4.4Å; L309-L313 VanDerWaalsContact O-CG 3.32Å; L309-L313 WeakPolarHBondContact O-CG 3.4Å; L309-L313 PolarHBondContact O-N 3.05Å; L313-F316 CarbonylContact O-C 3.52Å; L313-F316 PolarHBondContact O-N 2.86Å; L313-H317 PolarHBondContact O-N 2.78Å; L313-I318 HydrophobicContact CB-CB 4.4Å; L313-I318 HydrophobicContact CD2-CB 3.74Å; L313-I318 HydrophobicContact CD2-CD1 4.43Å; L313-I318 HydrophobicContact CD2-CG2 3.61Å; L313-I318 PolarHBondContact O-N 2.87Å; L313-Q322 HydrophobicContact CD1-CB 3.99Å; L313-Q322 HydrophobicContact CD1-CG 3.84Å; L313-Y325 HydrophobicContact CD2-CD1 3.99Å; L313-Y325 HydrophobicContact CD2-CD2 3.84Å; L313-Y325 HydrophobicContact CD2-CE1 4.47Å; L313-Y325 HydrophobicContact CD2-CE2 4.4Å; L313-Y325 HydrophobicContact CD2-CG 3.65Å; L313-L362 HydrophobicContact CD2-CD1 4.19Å; L313-L362 HydrophobicContact CD2-CD2 4Å |
| 314 | R | 77.5 | Confident | 81.7 | Confident | 123 Ų | 123 | 45.3 Ų | 45.3 | 46% | 0.464 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63 | -42.1 | 174.9 | -74.8 | -177.8 | -70.8 | 166.5 | -4.5 | 113.1 | K310 V311 A312 F316 H317 | K310-R314 VanDerWaalsContact O-CG 3.3Å; K310-R314 WeakPolarHBondContact O-CG 3.34Å; K310-R314 PolarHBondContact O-N 3.29Å; K310-R314 PolarHBondContact O-NE 2.8Å; V311-R314 VanDerWaalsContact CG2-NH2 3.3Å; V311-R314 PolarHBondContact O-N 3.2Å; A312-R314 VanDerWaalsContact C-N 3.26Å; A312-R314 PolarHBondContact O-N 3.43Å; R314-F316 VanDerWaalsContact C-N 3.31Å; R314-F316 PolarHBondContact O-N 3.17Å; R314-H317 PolarHBondContact O-N 2.92Å |
| 315 | L | 79.8 | Confident | 81.9 | Confident | 53 Ų | 53 | 43.2 Ų | 43.2 | 28% | 0.277 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.9 | -37.7 | 177.9 | -75.9 | 171.3 | 0 | 0 | 0 | 112.1 | I282 R295 L297 V311 A312 H317 | I282-L315 HydrophobicContact CG2-CD1 4.39Å; R295-L315 WeakPolarHBondContact CD-O 3.27Å; R295-L315 PolarHBondContact NE-O 3.07Å; L297-L315 HydrophobicContact CB-CD1 3.64Å; L297-L315 HydrophobicContact CD1-CD1 4.06Å; L297-L315 HydrophobicContact CG-CD1 3.96Å; V311-L315 HydrophobicContact CG1-CD1 4.02Å; V311-L315 HydrophobicContact CG1-CG 4.28Å; V311-L315 VanDerWaalsContact O-CG 3.31Å; V311-L315 WeakPolarHBondContact O-CG 3.41Å; V311-L315 PolarHBondContact O-N 3.39Å; A312-L315 WeakPolarHBondContact O-CB 3.5Å; A312-L315 PolarHBondContact O-N 3.07Å; A312-L315 VanDerWaalsContact O-N 3.08Å; L315-H317 VanDerWaalsContact C-N 3.34Å |
| 316 | F | 80.1 | Confident | 82.4 | Confident | 13 Ų | 13 | 44 Ų | 44 | 6% | 0.057 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 3.3 | 177.8 | -73.1 | -76 | 0 | 0 | 0 | 114.2 | I282 D284 R295 A312 L313 R314 I318 L362 | I282-F316 HydrophobicContact CB-CE2 4.22Å; I282-F316 HydrophobicContact CD1-CE2 4.16Å; I282-F316 HydrophobicContact CG1-CE2 3.88Å; I282-F316 HydrophobicContact CG2-CE2 3.59Å; I282-F316 HydrophobicContact CG2-CZ 4.09Å; I282-F316 WeakPolarHBondContact O-CZ 3.45Å; D284-F316 HydrophobicContact CB-CD1 3.75Å; D284-F316 HydrophobicContact CB-CE1 3.6Å; D284-F316 HydrophobicContact CB-CE2 4.39Å; D284-F316 HydrophobicContact CB-CG 4.23Å; D284-F316 HydrophobicContact CB-CZ 3.94Å; R295-F316 HydrophobicContact CB-CZ 4.18Å; R295-F316 HydrophobicContact CG-CE1 3.94Å; R295-F316 HydrophobicContact CG-CZ 3.97Å; A312-F316 WeakPolarHBondContact O-CD2 3.25Å; A312-F316 PolarHBondContact O-N 3.45Å; L313-F316 CarbonylContact O-C 3.52Å; L313-F316 PolarHBondContact O-N 2.86Å; R314-F316 VanDerWaalsContact C-N 3.31Å; R314-F316 PolarHBondContact O-N 3.17Å; F316-I318 HydrophobicContact CB-CD1 4.06Å; F316-I318 HydrophobicContact CB-CG1 3.8Å; F316-I318 PolarHBondContact O-N 3.44Å; F316-L362 HydrophobicContact CD2-CD2 4.18Å |
| 317 | H | 73.3 | Confident | 82.6 | Confident | 51 Ų | 51 | 41 Ų | 41 | 24% | 0.236 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 40.3 | -177.1 | -59 | -83.1 | 0 | 0 | 0 | 112.4 | L140 L313 R314 L315 F319 | L140-H317 VanDerWaalsContact CD1-NE2 3.27Å; L140-H317 WeakPolarHBondContact CD1-NE2 3.17Å; L140-H317 VanDerWaalsContact CD2-CD2 3.43Å; L140-H317 WeakPolarHBondContact CD2-CD2 3.25Å; L313-H317 PolarHBondContact O-N 2.78Å; R314-H317 PolarHBondContact O-N 2.92Å; L315-H317 VanDerWaalsContact C-N 3.34Å; H317-F319 VanDerWaalsContact CA-CE2 3.4Å; H317-F319 HydrophobicContact CB-CE2 3.65Å; H317-F319 HydrophobicContact CB-CZ 4.01Å; H317-F319 WeakPolarHBondContact O-CD2 3.2Å; H317-F319 WeakPolarHBondContact O-CE2 3.49Å |
| 318 | I | 78.9 | Confident | 82.7 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | trans | -98.9 | 130.5 | 173.4 | -52.7 | -167.8 | 0 | 0 | 0 | 108.2 | L313 F316 Y325 L362 L453 L457 | L313-I318 HydrophobicContact CB-CB 4.4Å; L313-I318 HydrophobicContact CD2-CB 3.74Å; L313-I318 HydrophobicContact CD2-CD1 4.43Å; L313-I318 HydrophobicContact CD2-CG2 3.61Å; L313-I318 PolarHBondContact O-N 2.87Å; F316-I318 HydrophobicContact CB-CD1 4.06Å; F316-I318 HydrophobicContact CB-CG1 3.8Å; F316-I318 PolarHBondContact O-N 3.44Å; I318-Y325 HydrophobicContact CD1-CE1 4.18Å; I318-Y325 HydrophobicContact CG2-CD2 4.44Å; I318-Y325 HydrophobicContact CG2-CE1 3.84Å; I318-Y325 HydrophobicContact CG2-CE2 3.76Å; I318-Y325 VanDerWaalsContact CG2-CZ 3.41Å; I318-Y325 WeakPolarHBondContact CG2-OH 3.48Å; I318-L362 HydrophobicContact CD1-CD2 3.67Å; I318-L453 HydrophobicContact CD1-CB 3.87Å; I318-L453 HydrophobicContact CD1-CD1 4.27Å; I318-L457 HydrophobicContact CB-CD1 3.97Å; I318-L457 HydrophobicContact CD1-CD1 3.63Å; I318-L457 HydrophobicContact CG1-CD1 3.44Å; I318-L457 VanDerWaalsContact CG1-CD1 3.44Å; I318-L457 HydrophobicContact CG2-CD1 3.72Å | ||
| 319 | F | 70.2 | Confident | 82.5 | Confident | 25 Ų | 25 | 39.7 Ų | 39.7 | 11% | 0.11 | 19% | 0.187 | C | C | . | . | trans | -141.4 | 8.7 | -166.8 | -58.8 | -74.3 | 0 | 0 | 0 | 114.5 | Y19 N23 S86 H317 | Y19-F319 HydrophobicContact CD2-CB 3.44Å; Y19-F319 VanDerWaalsContact CD2-CB 3.44Å; Y19-F319 HydrophobicContact CD2-CD2 4.39Å; Y19-F319 HydrophobicContact CD2-CG 4.08Å; Y19-F319 HydrophobicContact CE1-CB 4.42Å; Y19-F319 HydrophobicContact CE1-CD1 4.38Å; Y19-F319 HydrophobicContact CE1-CG 4.36Å; Y19-F319 HydrophobicContact CE2-CB 2.91Å; Y19-F319 AromaticContact CE2-CD1 3.85Å; Y19-F319 HydrophobicContact CE2-CD1 3.85Å; Y19-F319 AromaticContact CE2-CD2 3.2Å; Y19-F319 HydrophobicContact CE2-CD2 3.2Å; Y19-F319 HydrophobicContact CE2-CE2 4.05Å; Y19-F319 AromaticContact CE2-CG 3.05Å; Y19-F319 HydrophobicContact CE2-CG 3.05Å; Y19-F319 HydrophobicContact CG-CB 4.41Å; Y19-F319 VanDerWaalsContact CZ-CB 3.45Å; Y19-F319 AromaticContact CZ-CD1 3.45Å; Y19-F319 VanDerWaalsContact CZ-CD1 3.45Å; Y19-F319 AromaticContact CZ-CD2 3.5Å; Y19-F319 AromaticContact CZ-CE1 3.97Å; Y19-F319 AromaticContact CZ-CE2 3.98Å; Y19-F319 AromaticContact CZ-CG 3.19Å; Y19-F319 WeakPolarHBondContact OH-CD1 3.46Å; Y19-F319 WeakPolarHBondContact OH-CD2 3.4Å; Y19-F319 WeakPolarHBondContact OH-CE1 3.24Å; Y19-F319 WeakPolarHBondContact OH-CE2 3.49Å; Y19-F319 WeakPolarHBondContact OH-CG 3.41Å; Y19-F319 WeakPolarHBondContact OH-CZ 3.29Å; N23-F319 PolarHBondContact ND2-O 2.73Å; S86-F319 VanDerWaalsContact CB-CE2 3.47Å; H317-F319 VanDerWaalsContact CA-CE2 3.4Å; H317-F319 HydrophobicContact CB-CE2 3.65Å; H317-F319 HydrophobicContact CB-CZ 4.01Å; H317-F319 WeakPolarHBondContact O-CD2 3.2Å; H317-F319 WeakPolarHBondContact O-CE2 3.49Å | ||
| 320 | E | 76.8 | Confident | 82.2 | Confident | 66 Ų | 66 | 39.5 Ų | 39.5 | 31% | 0.308 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -63.1 | 170.5 | 161.8 | -68.1 | 179.4 | 173.2 | 0 | 0 | 110 | Q322 Y325 | E320-Q322 PolarHBondContact O-N 3.03Å; E320-Y325 HydrophobicContact CB-CE2 3.85Å; E320-Y325 PolarHBondContact OE2-OH 3.06Å |
| 321 | S | 79.8 | Confident | 81.8 | Confident | 31 Ų | 31 | 39.3 Ų | 39.3 | 22% | 0.217 | 19% | 0.187 | C | C | . | . | trans | -53.2 | 132.7 | 176.6 | 177 | 0 | 0 | 0 | 0 | 110.7 | D323 N324 Y325 | S321-D323 PolarHBondContact O-N 3.13Å; S321-D323 VanDerWaalsContact O-N 3.16Å; S321-D323 WeakPolarHBondContact OG-CB 3.32Å; S321-D323 PolarHBondContact OG-N 3.01Å; S321-D323 PolarHBondContact OG-OD2 2.85Å; S321-N324 VanDerWaalsContact O-CB 3.31Å; S321-N324 WeakPolarHBondContact O-CB 3.3Å; S321-N324 PolarHBondContact O-N 2.78Å; S321-Y325 WeakPolarHBondContact O-CD2 3.41Å | ||
| 322 | Q | 81.1 | Confident | 81.2 | Confident | 42 Ų | 42 | 43.8 Ų | 43.8 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -56.3 | -29.6 | 174.8 | -178 | -175.4 | -41.5 | 0 | 0 | 112 | D306 L309 L313 E320 N324 Y325 | D306-Q322 PolarHBondContact OD1-NE2 3.44Å; L309-Q322 HydrophobicContact CD2-CG 3.47Å; L309-Q322 VanDerWaalsContact CD2-CG 3.47Å; L309-Q322 HydrophobicContact CG-CG 3.85Å; L313-Q322 HydrophobicContact CD1-CB 3.99Å; L313-Q322 HydrophobicContact CD1-CG 3.84Å; E320-Q322 PolarHBondContact O-N 3.03Å; Q322-N324 PolarHBondContact O-N 2.93Å; Q322-N324 VanDerWaalsContact O-N 3.08Å; Q322-Y325 PolarHBondContact O-N 3.41Å |
| 323 | D | 83.6 | Confident | 80.4 | Confident | 118 Ų | 118 | 49.5 Ų | 49.5 | 63% | 0.631 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -59.1 | -23.9 | 179.2 | -58.1 | -36.1 | 0 | 0 | 0 | 112.5 | S321 Y325 R365 | S321-D323 PolarHBondContact O-N 3.13Å; S321-D323 VanDerWaalsContact O-N 3.16Å; S321-D323 WeakPolarHBondContact OG-CB 3.32Å; S321-D323 PolarHBondContact OG-N 3.01Å; S321-D323 PolarHBondContact OG-OD2 2.85Å; D323-Y325 PolarHBondContact O-N 3.28Å; D323-R365 WeakPolarHBondContact O-CD 3.44Å; D323-R365 PolarHBondContact O-NE 3.32Å |
| 324 | N | 85.9 | Confident | 79.5 | Confident | 48 Ų | 48 | 50.1 Ų | 50.1 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -76.3 | -7.9 | 176.7 | -63 | -22.7 | 0 | 0 | 0 | 113.2 | S321 Q322 Y364 R365 | S321-N324 VanDerWaalsContact O-CB 3.31Å; S321-N324 WeakPolarHBondContact O-CB 3.3Å; S321-N324 PolarHBondContact O-N 2.78Å; Q322-N324 PolarHBondContact O-N 2.93Å; Q322-N324 VanDerWaalsContact O-N 3.08Å; N324-Y364 HydrophobicContact CB-CD2 4.32Å; N324-Y364 HydrophobicContact CB-CE2 3.8Å; N324-Y364 CarbonylContact O-C 3.58Å; N324-Y364 WeakPolarHBondContact O-CA 3.21Å; N324-Y364 WeakPolarHBondContact O-CD2 3.47Å; N324-R365 PolarHBondContact O-N 2.8Å |
| 325 | Y | 89.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 159.8 | -171.4 | -60.8 | -91.7 | 0 | 0 | 0 | 112.3 | L313 I318 E320 S321 Q322 D323 L362 R363 Y364 L453 | L313-Y325 HydrophobicContact CD2-CD1 3.99Å; L313-Y325 HydrophobicContact CD2-CD2 3.84Å; L313-Y325 HydrophobicContact CD2-CE1 4.47Å; L313-Y325 HydrophobicContact CD2-CE2 4.4Å; L313-Y325 HydrophobicContact CD2-CG 3.65Å; I318-Y325 HydrophobicContact CD1-CE1 4.18Å; I318-Y325 HydrophobicContact CG2-CD2 4.44Å; I318-Y325 HydrophobicContact CG2-CE1 3.84Å; I318-Y325 HydrophobicContact CG2-CE2 3.76Å; I318-Y325 VanDerWaalsContact CG2-CZ 3.41Å; I318-Y325 WeakPolarHBondContact CG2-OH 3.48Å; E320-Y325 HydrophobicContact CB-CE2 3.85Å; E320-Y325 PolarHBondContact OE2-OH 3.06Å; S321-Y325 WeakPolarHBondContact O-CD2 3.41Å; Q322-Y325 PolarHBondContact O-N 3.41Å; D323-Y325 PolarHBondContact O-N 3.28Å; Y325-L362 HydrophobicContact CD1-CD1 4.47Å; Y325-L362 HydrophobicContact CD1-CG 4.42Å; Y325-R363 VanDerWaalsContact CA-O 3.29Å; Y325-R363 WeakPolarHBondContact CA-O 3.43Å; Y325-Y364 HydrophobicContact CD1-CD2 4.4Å; Y325-Y364 AromaticContact CE1-CD2 3.9Å; Y325-Y364 HydrophobicContact CE1-CD2 3.9Å; Y325-Y364 HydrophobicContact CE2-CD2 4.49Å; Y325-Y364 AromaticContact CZ-CD2 3.93Å; Y325-L453 HydrophobicContact CD1-CD1 4.01Å; Y325-L453 HydrophobicContact CE1-CD1 3.95Å; Y325-L453 HydrophobicContact CE1-CD2 4.2Å |
| 326 | Y | 89.2 | Confident | 78.6 | Confident | 33 Ų | 33 | 46.8 Ų | 46.8 | 13% | 0.129 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 163.1 | 174.2 | 68.2 | -73.4 | 0 | 0 | 0 | 110.2 | T328 R363 R365 | Y326-T328 HydrophobicContact CD2-CG2 3.73Å; Y326-T328 HydrophobicContact CE2-CG2 3.24Å; Y326-R363 HydrophobicContact CD1-CB 3.81Å; Y326-R363 HydrophobicContact CD2-CB 4.32Å; Y326-R363 HydrophobicContact CE1-CB 3.31Å; Y326-R363 HydrophobicContact CE1-CG 4.44Å; Y326-R363 HydrophobicContact CE2-CB 3.94Å; Y326-R363 HydrophobicContact CE2-CG 4.37Å; Y326-R363 HydrophobicContact CG-CB 4.29Å; Y326-R363 PolarHBondContact N-O 3.48Å; Y326-R363 PolarHBondContact O-N 2.99Å; Y326-R365 HydrophobicContact CD1-CB 3.87Å; Y326-R365 HydrophobicContact CD1-CG 4.41Å; Y326-R365 HydrophobicContact CE1-CB 4.29Å |
| 327 | L | 89.2 | Confident | 78 | Confident | 7 Ų | 7 | 47 Ų | 47 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 136.7 | 175.9 | -65.8 | 172.8 | 0 | 0 | 0 | 109.6 | I282 L308 L309 A312 I341 L360 M361 L362 | I282-L327 HydrophobicContact CD1-CD2 3.66Å; L308-L327 HydrophobicContact CB-CD1 3.77Å; L309-L327 HydrophobicContact CB-CD1 4.11Å; L309-L327 HydrophobicContact CB-CG 4.27Å; L309-L327 HydrophobicContact CD1-CD2 4.35Å; L309-L327 HydrophobicContact CD1-CG 4.1Å; A312-L327 HydrophobicContact CB-CD2 4.13Å; L327-I341 HydrophobicContact CB-CD1 3.94Å; L327-I341 WeakPolarHBondContact O-CG1 3.33Å; L327-I341 PolarHBondContact O-N 3.47Å; L327-L360 HydrophobicContact CD1-CD1 4.44Å; L327-M361 WeakPolarHBondContact CA-O 3.44Å; L327-L362 HydrophobicContact CD2-CB 4.31Å; L327-L362 HydrophobicContact CD2-CD1 3.84Å |
| 328 | T | 87 | Confident | 77.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 157.6 | 166.6 | 70.8 | 0 | 0 | 0 | 0 | 111 | Y326 V336 G337 L360 M361 R363 | Y326-T328 HydrophobicContact CD2-CG2 3.73Å; Y326-T328 HydrophobicContact CE2-CG2 3.24Å; T328-V336 WeakPolarHBondContact OG1-CG1 3.3Å; T328-G337 WeakPolarHBondContact CB-O 3.44Å; T328-G337 WeakPolarHBondContact CG2-O 3.44Å; T328-G337 PolarHBondContact OG1-O 2.86Å; T328-L360 CarbonylContact O-C 3.53Å; T328-L360 WeakPolarHBondContact O-CA 3.48Å; T328-M361 PolarHBondContact N-O 3.32Å; T328-M361 PolarHBondContact O-N 2.9Å; T328-R363 HydrophobicContact CG2-CG 3.85Å |
| 329 | R | 82.8 | Confident | 76.9 | Confident | 70 Ų | 70 | 58.3 Ų | 58.3 | 26% | 0.264 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 141.8 | 178.5 | -177.7 | 175 | 173.2 | -176.3 | -4.7 | 110.1 | G337 I341 A350 | R329-G337 PolarHBondContact O-N 3.46Å; R329-I341 HydrophobicContact CB-CD1 4.23Å; R329-I341 HydrophobicContact CB-CG1 4.47Å; R329-A350 VanDerWaalsContact NH2-CB 3.28Å |
| 330 | I | 81.6 | Confident | 76.9 | Confident | 8 Ų | 8 | 58.9 Ų | 58.9 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 120.9 | 167.7 | -46.7 | -179.3 | 0 | 0 | 0 | 107.8 | F283 Y289 V336 Q359 M361 | F283-I330 HydrophobicContact CD2-CD1 3.55Å; F283-I330 HydrophobicContact CE2-CD1 3.98Å; F283-I330 HydrophobicContact CG-CD1 4.33Å; Y289-I330 HydrophobicContact CD2-CD1 3.52Å; Y289-I330 HydrophobicContact CE2-CD1 3.73Å; Y289-I330 HydrophobicContact CE2-CG2 3.82Å; Y289-I330 HydrophobicContact CG-CD1 4.19Å; I330-V336 HydrophobicContact CG1-CG2 4.28Å; I330-V336 HydrophobicContact CG2-CG2 4.4Å; I330-Q359 HydrophobicContact CB-CB 3.94Å; I330-Q359 HydrophobicContact CD1-CB 4.27Å; I330-Q359 HydrophobicContact CG1-CB 4.34Å; I330-Q359 PolarHBondContact N-O 3.22Å; I330-M361 HydrophobicContact CD1-CB 4.28Å; I330-M361 HydrophobicContact CD1-CE 4.01Å; I330-M361 HydrophobicContact CG1-CB 4.21Å |
| 331 | H | 76.1 | Confident | 76.4 | Confident | 87 Ų | 87 | 57 Ų | 57 | 40% | 0.403 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 162.2 | 179.6 | -66.6 | -88.6 | 0 | 0 | 0 | 110.9 | D333 G334 T335 | H331-D333 WeakPolarHBondContact CB-OD1 3.44Å; H331-D333 PolarHBondContact O-N 3Å; H331-G334 WeakPolarHBondContact O-CA 3.35Å; H331-G334 PolarHBondContact O-N 3.47Å; H331-T335 PolarHBondContact CD2-O 2.93Å; H331-T335 PolarHBondContact N-O 3.22Å |
| 332 | E | 69.3 | Low | 75.6 | Confident | 129 Ų | 129 | 63.4 Ų | 63.4 | 60% | 0.603 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -24.6 | -176.5 | -68.9 | -179.5 | -176.9 | 0 | 0 | 113.4 | G334 S354 | E332-G334 PolarHBondContact O-N 3.38Å; E332-S354 WeakPolarHBondContact OE1-CB 3.27Å; E332-S354 PolarHBondContact OE1-OG 3.03Å |
| 333 | D | 70.5 | Confident | 74.3 | Confident | 121 Ų | 121 | 65.8 Ų | 65.8 | 65% | 0.647 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -1.6 | 172.7 | 64.3 | -3.4 | 0 | 0 | 0 | 113.3 | H331 T335 | H331-D333 WeakPolarHBondContact CB-OD1 3.44Å; H331-D333 PolarHBondContact O-N 3Å; D333-T335 VanDerWaalsContact C-N 3.3Å; D333-T335 VanDerWaalsContact CG-OG1 3.31Å; D333-T335 WeakPolarHBondContact OD1-CB 3.11Å; D333-T335 PolarHBondContact OD1-N 3.18Å; D333-T335 PolarHBondContact OD1-OG1 3.27Å; D333-T335 WeakPolarHBondContact OD2-CG2 3.33Å; D333-T335 PolarHBondContact OD2-OG1 3.3Å |
| 334 | G | 68.7 | Low | 73 | Confident | 25 Ų | 25 | 63.6 Ų | 63.6 | 26% | 0.258 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 82.5 | 2.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y289 H331 E332 | Y289-G334 VanDerWaalsContact OH-CA 3.25Å; Y289-G334 WeakPolarHBondContact OH-CA 3.38Å; H331-G334 WeakPolarHBondContact O-CA 3.35Å; H331-G334 PolarHBondContact O-N 3.47Å; E332-G334 PolarHBondContact O-N 3.38Å |
| 335 | T | 71.4 | Confident | 71.4 | Confident | 71 Ų | 71 | 64.6 Ų | 64.6 | 44% | 0.436 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 131.9 | 173.6 | 62.9 | 0 | 0 | 0 | 0 | 109.9 | H331 D333 | H331-T335 PolarHBondContact CD2-O 2.93Å; H331-T335 PolarHBondContact N-O 3.22Å; D333-T335 VanDerWaalsContact C-N 3.3Å; D333-T335 VanDerWaalsContact CG-OG1 3.31Å; D333-T335 WeakPolarHBondContact OD1-CB 3.11Å; D333-T335 PolarHBondContact OD1-N 3.18Å; D333-T335 PolarHBondContact OD1-OG1 3.27Å; D333-T335 WeakPolarHBondContact OD2-CG2 3.33Å; D333-T335 PolarHBondContact OD2-OG1 3.3Å |
| 336 | V | 66.8 | Low | 69.6 | Low | 35 Ų | 35 | 67 Ų | 67 | 21% | 0.212 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -86.5 | 122.2 | 173.9 | -174.4 | 0 | 0 | 0 | 0 | 107.1 | T328 I330 M361 | T328-V336 WeakPolarHBondContact OG1-CG1 3.3Å; I330-V336 HydrophobicContact CG1-CG2 4.28Å; I330-V336 HydrophobicContact CG2-CG2 4.4Å; V336-M361 HydrophobicContact CG1-CB 4.26Å; V336-M361 HydrophobicContact CG1-CG 4.44Å; V336-M361 HydrophobicContact CG2-CE 4.26Å |
| 337 | G | 65.9 | Low | 68 | Low | 16 Ų | 16 | 65.9 Ų | 65.9 | 17% | 0.165 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 137.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | T328 R329 | T328-G337 WeakPolarHBondContact CB-O 3.44Å; T328-G337 WeakPolarHBondContact CG2-O 3.44Å; T328-G337 PolarHBondContact OG1-O 2.86Å; R329-G337 PolarHBondContact O-N 3.46Å |
| 338 | D | 63 | Low | 66.4 | Low | 143 Ų | 143 | 68 Ų | 68 | 77% | 0.765 | 37% | 0.369 | S | S | * | . | trans | -83.7 | -17.7 | 176.4 | -67 | -34.1 | 0 | 0 | 0 | 112.3 | ||||
| 339 | L | 67.1 | Low | 64.8 | Low | 150 Ų | 150 | 72 Ų | 72 | 79% | 0.785 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -84.6 | 137.3 | -175.6 | -72.2 | 144.1 | 0 | 0 | 0 | 111.5 | ||
| 340 | S | 69.3 | Low | 63.2 | Low | 36 Ų | 36 | 69.9 Ų | 69.9 | 25% | 0.252 | 39% | 0.389 | S | S | . | . | trans | -60.3 | 139.7 | 171.6 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | E342 | S340-E342 VanDerWaalsContact C-N 3.29Å; S340-E342 PolarHBondContact O-N 3.13Å | ||
| 341 | I | 67.1 | Low | 61.7 | Low | 26 Ų | 26 | 76.9 Ų | 76.9 | 13% | 0.133 | 42% | 0.415 | C | S | . | . | trans | -72 | 90.4 | 170.2 | -62 | 161.9 | 0 | 0 | 0 | 107.5 | A305 L327 R329 L347 L360 | A305-I341 HydrophobicContact CB-CG2 4.26Å; A305-I341 WeakPolarHBondContact CB-O 2.89Å; L327-I341 HydrophobicContact CB-CD1 3.94Å; L327-I341 WeakPolarHBondContact O-CG1 3.33Å; L327-I341 PolarHBondContact O-N 3.47Å; R329-I341 HydrophobicContact CB-CD1 4.23Å; R329-I341 HydrophobicContact CB-CG1 4.47Å; I341-L347 HydrophobicContact CD1-CD2 4.07Å; I341-L347 HydrophobicContact CG2-CD1 3.56Å; I341-L347 HydrophobicContact CG2-CD2 3.88Å; I341-L347 HydrophobicContact CG2-CG 3.51Å; I341-L360 HydrophobicContact CD1-CD2 3.58Å | ||
| 342 | E | 62.6 | Low | 60.4 | Low | 167 Ų | 167 | 82.4 Ų | 82.4 | 78% | 0.78 | 43% | 0.432 | S | S | * | . | trans | -90.1 | -30.6 | 176.4 | -66.2 | -179.1 | 178.2 | 0 | 0 | 112 | S340 | S340-E342 VanDerWaalsContact C-N 3.29Å; S340-E342 PolarHBondContact O-N 3.13Å | ||
| 343 | D | 55.2 | Low | 59.5 | Low | 92 Ų | 92 | 81.5 Ų | 81.5 | 49% | 0.492 | 44% | 0.44 | S | S | . | . | trans | -96.9 | 106.5 | -169.8 | -165 | -10.5 | 0 | 0 | 0 | 111.7 | S345 A346 | D343-S345 PolarHBondContact O-N 3.25Å; D343-S345 WeakPolarHBondContact OD1-CB 3.19Å; D343-S345 PolarHBondContact OD1-N 2.97Å; D343-S345 VanDerWaalsContact OD1-N 3.13Å; D343-S345 PolarHBondContact OD1-OG 3.05Å; D343-A346 HydrophobicContact CB-CB 4.27Å; D343-A346 PolarHBondContact O-N 2.89Å; D343-A346 VanDerWaalsContact O-N 3.12Å | ||
| 344 | D | 55 | Low | 58.5 | Low | 72 Ų | 72 | 78.5 Ų | 78.5 | 39% | 0.385 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -52 | -29.2 | 176.4 | -74.7 | -30.4 | 0 | 0 | 0 | 111.9 | T304 A305 W348 | T304-D344 WeakPolarHBondContact CA-OD1 3.06Å; A305-D344 PolarHBondContact N-OD1 2.78Å; D344-W348 PolarHBondContact O-NE1 3.28Å |
| 345 | S | 51.9 | Low | 57.9 | Low | 69 Ų | 69 | 80.5 Ų | 80.5 | 48% | 0.483 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -75.4 | -33.4 | -177.4 | -48.7 | 0 | 0 | 0 | 0 | 113.3 | D343 N349 | D343-S345 PolarHBondContact O-N 3.25Å; D343-S345 WeakPolarHBondContact OD1-CB 3.19Å; D343-S345 PolarHBondContact OD1-N 2.97Å; D343-S345 VanDerWaalsContact OD1-N 3.13Å; D343-S345 PolarHBondContact OD1-OG 3.05Å; S345-N349 VanDerWaalsContact O-CG 3.31Å; S345-N349 PolarHBondContact O-N 3.24Å; S345-N349 PolarHBondContact O-ND2 3.3Å |
| 346 | A | 52.2 | Low | 57.3 | Low | 50 Ų | 50 | 79.7 Ų | 79.7 | 41% | 0.413 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -74.6 | -29.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D343 | D343-A346 HydrophobicContact CB-CB 4.27Å; D343-A346 PolarHBondContact O-N 2.89Å; D343-A346 VanDerWaalsContact O-N 3.12Å |
| 347 | L | 54.7 | Low | 57.2 | Low | 10 Ų | 10 | 84.7 Ų | 84.7 | 5% | 0.052 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 175.8 | -83.8 | 165.7 | 0 | 0 | 0 | 112.1 | A305 L308 I341 L360 | A305-L347 HydrophobicContact CB-CD1 4.36Å; L308-L347 HydrophobicContact CD1-CD1 3.7Å; L308-L347 HydrophobicContact CD1-CD2 4.36Å; I341-L347 HydrophobicContact CD1-CD2 4.07Å; I341-L347 HydrophobicContact CG2-CD1 3.56Å; I341-L347 HydrophobicContact CG2-CD2 3.88Å; I341-L347 HydrophobicContact CG2-CG 3.51Å; L347-L360 HydrophobicContact CD2-CD2 4.09Å |
| 348 | W | 56.8 | Low | 57.7 | Low | 50 Ų | 50 | 84.8 Ų | 84.8 | 19% | 0.189 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -87.3 | -28.4 | -169.5 | -55.2 | 113 | 0 | 0 | 0 | 113.6 | E278 F280 A300 R301 A303 D344 A350 | E278-W348 HydrophobicContact CB-CH2 4.44Å; E278-W348 HydrophobicContact CB-CZ3 3.73Å; E278-W348 HydrophobicContact CG-CZ3 4.18Å; E278-W348 WeakPolarHBondContact OE2-CZ3 3.04Å; F280-W348 AromaticContact CE2-CH2 3.96Å; F280-W348 HydrophobicContact CE2-CH2 3.96Å; F280-W348 HydrophobicContact CE2-CZ3 4.17Å; F280-W348 HydrophobicContact CZ-CE3 4.43Å; F280-W348 AromaticContact CZ-CH2 3.61Å; F280-W348 HydrophobicContact CZ-CH2 3.61Å; F280-W348 HydrophobicContact CZ-CZ2 4.45Å; F280-W348 AromaticContact CZ-CZ3 3.59Å; F280-W348 HydrophobicContact CZ-CZ3 3.59Å; A300-W348 WeakPolarHBondContact O-CH2 3.47Å; A300-W348 WeakPolarHBondContact O-CZ2 3.45Å; R301-W348 VanDerWaalsContact CA-CH2 3.47Å; R301-W348 VanDerWaalsContact CA-CZ3 3.46Å; R301-W348 HydrophobicContact CB-CE3 4.38Å; R301-W348 HydrophobicContact CB-CZ3 4.2Å; R301-W348 HydrophobicContact CG-CZ3 4.23Å; R301-W348 WeakPolarHBondContact O-CZ2 3.47Å; R301-W348 PolarHBondContact O-NE1 3.37Å; A303-W348 HydrophobicContact CB-CZ2 4.15Å; A303-W348 WeakPolarHBondContact O-CZ2 3.1Å; D344-W348 PolarHBondContact O-NE1 3.28Å; W348-A350 PolarHBondContact O-N 3.02Å |
| 349 | N | 53.1 | Low | 58.8 | Low | 85 Ų | 85 | 80.4 Ų | 80.4 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -71.3 | -13.4 | -175.1 | -78.9 | -35.7 | 0 | 0 | 0 | 114.6 | S345 R351 R352 | S345-N349 VanDerWaalsContact O-CG 3.31Å; S345-N349 PolarHBondContact O-N 3.24Å; S345-N349 PolarHBondContact O-ND2 3.3Å; N349-R351 PolarHBondContact O-N 3.12Å; N349-R352 PolarHBondContact OD1-NH2 3.03Å |
| 350 | A | 49.7 | Very low | 59.9 | Low | 26 Ų | 26 | 73.3 Ų | 73.3 | 22% | 0.215 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -82.1 | -8.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R329 W348 R352 | R329-A350 VanDerWaalsContact NH2-CB 3.28Å; W348-A350 PolarHBondContact O-N 3.02Å; A350-R352 PolarHBondContact O-N 2.94Å |
| 351 | R | 48.7 | Very low | 60.9 | Low | 155 Ų | 155 | 71.6 Ų | 71.6 | 59% | 0.585 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -70.6 | 2.6 | 177.3 | -145.7 | 177.9 | -174.9 | -148.2 | 0.5 | 113.9 | E278 N349 | E278-R351 IonicContact OE1-NE 2.82Å; N349-R351 PolarHBondContact O-N 3.12Å |
| 352 | R | 48.9 | Very low | 62.1 | Low | 202 Ų | 202 | 70.3 Ų | 70.3 | 76% | 0.762 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -86 | -13.8 | -171.8 | -80.5 | -169.6 | -92.2 | -127.6 | -0.7 | 116.4 | N349 A350 | N349-R352 PolarHBondContact OD1-NH2 3.03Å; A350-R352 PolarHBondContact O-N 2.94Å |
| 353 | S | 50.2 | Low | 63.4 | Low | 110 Ų | 110 | 63.4 Ų | 63.4 | 77% | 0.769 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -112.7 | -40.8 | -172.7 | 26.5 | 0 | 0 | 0 | 0 | 116.7 | ||
| 354 | S | 50.7 | Low | 65 | Low | 58 Ų | 58 | 60.2 Ų | 60.2 | 41% | 0.406 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -123.2 | -9.7 | -165.1 | 68.3 | 0 | 0 | 0 | 0 | 116.4 | E332 A356 | E332-S354 WeakPolarHBondContact OE1-CB 3.27Å; E332-S354 PolarHBondContact OE1-OG 3.03Å; S354-A356 PolarHBondContact O-N 2.99Å; S354-A356 VanDerWaalsContact O-N 3.1Å; S354-A356 WeakPolarHBondContact OG-CB 3.16Å; S354-A356 PolarHBondContact OG-N 3.44Å |
| 355 | G | 54.8 | Low | 66.3 | Low | 67 Ų | 67 | 63.8 Ų | 63.8 | 69% | 0.691 | 34% | 0.338 | S | S | * | . | trans | 67.6 | -0.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 356 | A | 59.5 | Low | 67.1 | Low | 55 Ų | 55 | 64.1 Ų | 64.1 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 143.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S354 | S354-A356 PolarHBondContact O-N 2.99Å; S354-A356 VanDerWaalsContact O-N 3.1Å; S354-A356 WeakPolarHBondContact OG-CB 3.16Å; S354-A356 PolarHBondContact OG-N 3.44Å |
| 357 | R | 65.9 | Low | 67.5 | Low | 140 Ų | 140 | 66.4 Ų | 66.4 | 53% | 0.528 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 137 | 172.9 | -69.4 | -171.7 | -179.2 | 177.3 | 2 | 109.8 | Q359 | R357-Q359 PolarHBondContact O-N 3.14Š|
| 358 | C | 75 | Confident | 67.8 | Low | 18 Ų | 18 | 74.2 Ų | 74.2 | 12% | 0.122 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 134.3 | 174.1 | -172.6 | 0 | 0 | 0 | 0 | 110.7 | F280 R281 | F280-C358 HydrophobicContact CD1-CB 3.72Å; F280-C358 HydrophobicContact CE1-CB 3.91Å; R281-C358 PolarHBondContact N-O 3.15Å |
| 359 | Q | 86.7 | Confident | 68.2 | Low | 51 Ų | 51 | 72.8 Ų | 72.8 | 24% | 0.238 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 129.5 | -179.5 | -60.3 | -172.9 | 26.9 | 0 | 0 | 109.2 | R281 F283 I330 R357 | R281-Q359 HydrophobicContact CB-CG 4.31Å; R281-Q359 CarbonylContact O-C 3.53Å; R281-Q359 WeakPolarHBondContact O-CA 3.13Å; F283-Q359 HydrophobicContact CE2-CB 4.35Å; I330-Q359 HydrophobicContact CB-CB 3.94Å; I330-Q359 HydrophobicContact CD1-CB 4.27Å; I330-Q359 HydrophobicContact CG1-CB 4.34Å; I330-Q359 PolarHBondContact N-O 3.22Å; R357-Q359 PolarHBondContact O-N 3.14Å |
| 360 | L | 89.6 | Confident | 69.1 | Low | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 148.8 | -176.1 | -58.1 | 178.4 | 0 | 0 | 0 | 109.6 | F280 R281 I282 F283 L327 T328 I341 L347 | F280-L360 HydrophobicContact CB-CD1 3.99Å; F280-L360 HydrophobicContact CB-CG 4.39Å; F280-L360 HydrophobicContact CD1-CD1 3.71Å; F280-L360 HydrophobicContact CD1-CG 4.09Å; F280-L360 HydrophobicContact CE1-CD1 4.44Å; F280-L360 HydrophobicContact CG-CD1 3.94Å; R281-L360 PolarHBondContact O-N 2.85Å; I282-L360 VanDerWaalsContact CA-O 3.31Å; I282-L360 WeakPolarHBondContact CA-O 3.3Å; I282-L360 HydrophobicContact CB-CB 4.5Å; I282-L360 HydrophobicContact CG1-CB 4.21Å; F283-L360 PolarHBondContact N-O 3.3Å; L327-L360 HydrophobicContact CD1-CD1 4.44Å; T328-L360 CarbonylContact O-C 3.53Å; T328-L360 WeakPolarHBondContact O-CA 3.48Å; I341-L360 HydrophobicContact CD1-CD2 3.58Å; L347-L360 HydrophobicContact CD2-CD2 4.09Å |
| 361 | M | 90.6 | Very high | 70.6 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.5 | 174.2 | -177.6 | 75.4 | 78.4 | 0 | 0 | 108.7 | F283 G285 Y289 L327 T328 I330 V336 R363 | F283-M361 HydrophobicContact CB-CE 3.9Å; F283-M361 HydrophobicContact CB-SD 3.41Å; F283-M361 WeakPolarHBondContact CB-SD 3.35Å; F283-M361 WeakPolarHBondContact O-CA 3.44Å; G285-M361 VanDerWaalsContact C-SD 3.57Å; G285-M361 WeakPolarHBondContact CA-SD 3.41Å; G285-M361 PolarHBondContact N-SD 2.99Å; G285-M361 WeakPolarHBondContact O-CE 3.35Å; Y289-M361 HydrophobicContact CG-CE 4.21Å; L327-M361 WeakPolarHBondContact CA-O 3.44Å; T328-M361 PolarHBondContact N-O 3.32Å; T328-M361 PolarHBondContact O-N 2.9Å; I330-M361 HydrophobicContact CD1-CB 4.28Å; I330-M361 HydrophobicContact CD1-CE 4.01Å; I330-M361 HydrophobicContact CG1-CB 4.21Å; V336-M361 HydrophobicContact CG1-CB 4.26Å; V336-M361 HydrophobicContact CG1-CG 4.44Å; V336-M361 HydrophobicContact CG2-CE 4.26Å; M361-R363 HydrophobicContact CG-CG 4.18Å |
| 362 | L | 91.8 | Very high | 72.4 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 128.7 | 171.7 | -174.3 | 64.3 | 0 | 0 | 0 | 109.3 | I282 F283 L309 L313 F316 I318 Y325 L327 L453 | I282-L362 HydrophobicContact CD1-CB 4.46Å; F283-L362 PolarHBondContact O-N 3.31Å; L309-L362 HydrophobicContact CD1-CD1 3.37Å; L313-L362 HydrophobicContact CD2-CD1 4.19Å; L313-L362 HydrophobicContact CD2-CD2 4Å; F316-L362 HydrophobicContact CD2-CD2 4.18Å; I318-L362 HydrophobicContact CD1-CD2 3.67Å; Y325-L362 HydrophobicContact CD1-CD1 4.47Å; Y325-L362 HydrophobicContact CD1-CG 4.42Å; L327-L362 HydrophobicContact CD2-CB 4.31Å; L327-L362 HydrophobicContact CD2-CD1 3.84Å; L362-L453 HydrophobicContact CB-CD1 4.16Å; L362-L453 HydrophobicContact CD2-CD1 3.99Å; L362-L453 HydrophobicContact CG-CD1 3.68Å; L362-L453 WeakPolarHBondContact O-CD1 3.33Å |
| 363 | R | 89.9 | Confident | 74.3 | Confident | 21 Ų | 21 | 64.9 Ų | 64.9 | 8% | 0.079 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 155 | -177 | -65.2 | -62.7 | -165.2 | -174.3 | 1.1 | 111.1 | D286 Y325 Y326 T328 M361 K450 | D286-R363 IonicContact OD1-CZ 2.7Å; D286-R363 IonicContact OD1-NH1 3.67Å; D286-R363 PolarHBondContact OD1-NH1 3.18Å; D286-R363 IonicContact OD1-NH2 3.95Å; D286-R363 PolarHBondContact OD1-NH2 3.38Å; Y325-R363 VanDerWaalsContact CA-O 3.29Å; Y325-R363 WeakPolarHBondContact CA-O 3.43Å; Y326-R363 HydrophobicContact CD1-CB 3.81Å; Y326-R363 HydrophobicContact CD2-CB 4.32Å; Y326-R363 HydrophobicContact CE1-CB 3.31Å; Y326-R363 HydrophobicContact CE1-CG 4.44Å; Y326-R363 HydrophobicContact CE2-CB 3.94Å; Y326-R363 HydrophobicContact CE2-CG 4.37Å; Y326-R363 HydrophobicContact CG-CB 4.29Å; Y326-R363 PolarHBondContact N-O 3.48Å; Y326-R363 PolarHBondContact O-N 2.99Å; T328-R363 HydrophobicContact CG2-CG 3.85Å; M361-R363 HydrophobicContact CG-CG 4.18Å; R363-K450 PolarHBondContact NH1-O 3.43Å |
| 364 | Y | 88.9 | Confident | 76.3 | Confident | 26 Ų | 26 | 60.1 Ų | 60.1 | 10% | 0.102 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.8 | 174.7 | -174.5 | -93.5 | 0 | 0 | 0 | 109.4 | N324 Y325 N366 R449 | N324-Y364 HydrophobicContact CB-CD2 4.32Å; N324-Y364 HydrophobicContact CB-CE2 3.8Å; N324-Y364 CarbonylContact O-C 3.58Å; N324-Y364 WeakPolarHBondContact O-CA 3.21Å; N324-Y364 WeakPolarHBondContact O-CD2 3.47Å; Y325-Y364 HydrophobicContact CD1-CD2 4.4Å; Y325-Y364 AromaticContact CE1-CD2 3.9Å; Y325-Y364 HydrophobicContact CE1-CD2 3.9Å; Y325-Y364 HydrophobicContact CE2-CD2 4.49Å; Y325-Y364 AromaticContact CZ-CD2 3.93Å; Y364-N366 HydrophobicContact CD1-CB 4.33Å; Y364-N366 HydrophobicContact CE1-CB 3.63Å; Y364-N366 WeakPolarHBondContact CE1-O 3.14Å; Y364-N366 PolarHBondContact O-N 3.16Å; Y364-R449 PolarHBondContact OH-NH2 3.32Å |
| 365 | R | 82 | Confident | 78.2 | Confident | 147 Ų | 147 | 60.7 Ų | 60.7 | 56% | 0.555 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -65.3 | -38.6 | -170.8 | -170.4 | -177.1 | -68.6 | -116.7 | -2.6 | 113 | D323 N324 Y326 E367 | D323-R365 WeakPolarHBondContact O-CD 3.44Å; D323-R365 PolarHBondContact O-NE 3.32Å; N324-R365 PolarHBondContact O-N 2.8Å; Y326-R365 HydrophobicContact CD1-CB 3.87Å; Y326-R365 HydrophobicContact CD1-CG 4.41Å; Y326-R365 HydrophobicContact CE1-CB 4.29Å; R365-E367 VanDerWaalsContact C-N 3.33Å; R365-E367 PolarHBondContact O-N 2.9Å; R365-E367 VanDerWaalsContact O-N 3.11Å |
| 366 | N | 68.7 | Low | 80 | Confident | 75 Ų | 75 | 57.5 Ų | 57.5 | 40% | 0.401 | 29% | 0.287 | S | S | . | . | trans | -93.7 | 59.5 | -165.7 | -155.7 | -1.4 | 0 | 0 | 0 | 112.3 | Y364 Q368 A369 | Y364-N366 HydrophobicContact CD1-CB 4.33Å; Y364-N366 HydrophobicContact CE1-CB 3.63Å; Y364-N366 WeakPolarHBondContact CE1-O 3.14Å; Y364-N366 PolarHBondContact O-N 3.16Å; N366-Q368 PolarHBondContact O-N 2.81Å; N366-A369 WeakPolarHBondContact OD1-CB 3.33Å; N366-A369 PolarHBondContact OD1-N 3.21Å | ||
| 367 | E | 61.2 | Low | 81.5 | Confident | 99 Ų | 99 | 55.1 Ų | 55.1 | 46% | 0.463 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -26.8 | 174.5 | -63.2 | -168.9 | 158.7 | 0 | 0 | 111.9 | R365 R446 | R365-E367 VanDerWaalsContact C-N 3.33Å; R365-E367 PolarHBondContact O-N 2.9Å; R365-E367 VanDerWaalsContact O-N 3.11Å; E367-R446 PolarHBondContact O-NE 3.49Å; E367-R446 PolarHBondContact O-NH2 2.87Å; E367-R446 VanDerWaalsContact O-NH2 3.13Å |
| 368 | Q | 61.6 | Low | 82.3 | Confident | 173 Ų | 173 | 48.5 Ų | 48.5 | 81% | 0.808 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 0.6 | -173.2 | -64.7 | 169.1 | -2.6 | 0 | 0 | 114.7 | N366 D370 | N366-Q368 PolarHBondContact O-N 2.81Å; Q368-D370 PolarHBondContact O-N 3.21Å; Q368-D370 VanDerWaalsContact O-N 3.08Å |
| 369 | A | 65.7 | Low | 82.1 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 17% | 0.174 | 24% | 0.236 | C | C | . | . | trans | -60.5 | 117.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110 | N366 N371 R446 | N366-A369 WeakPolarHBondContact OD1-CB 3.33Å; N366-A369 PolarHBondContact OD1-N 3.21Å; A369-N371 PolarHBondContact O-N 3.19Å; A369-R446 PolarHBondContact O-NH2 3.08Å | ||
| 370 | D | 71.3 | Confident | 81.4 | Confident | 120 Ų | 120 | 48.7 Ų | 48.7 | 64% | 0.642 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -73.9 | -7.1 | 175 | -69.8 | -30.5 | 0 | 0 | 0 | 112.7 | Q368 T393 | Q368-D370 PolarHBondContact O-N 3.21Å; Q368-D370 VanDerWaalsContact O-N 3.08Å; D370-T393 WeakPolarHBondContact O-CA 3.48Å |
| 371 | N | 80.4 | Confident | 80.8 | Confident | 87 Ų | 87 | 50 Ų | 50 | 47% | 0.465 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 132.9 | 178.7 | -168.6 | 12.9 | 0 | 0 | 0 | 112 | A369 S391 I392 | A369-N371 PolarHBondContact O-N 3.19Å; N371-S391 VanDerWaalsContact CG-OG 3.24Å; N371-S391 PolarHBondContact ND2-OG 2.88Å; N371-S391 PolarHBondContact OD1-OG 3.44Å; N371-I392 CarbonylContact C-O 3.51Å; N371-I392 VanDerWaalsContact CA-O 3.24Å; N371-I392 WeakPolarHBondContact CA-O 3.39Å; N371-I392 PolarHBondContact OD1-N 2.61Å; N371-I392 PolarHBondContact OD1-O 3.34Å; N371-I392 VanDerWaalsContact OD1-O 3.06Å |
| 372 | V | 86.2 | Confident | 79.9 | Confident | 15 Ų | 15 | 54.2 Ų | 54.2 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 138.1 | 177 | 175.1 | 0 | 0 | 0 | 0 | 109.6 | I392 L442 I445 | V372-I392 HydrophobicContact CB-CB 4.46Å; V372-I392 PolarHBondContact N-O 3.49Å; V372-I392 WeakPolarHBondContact O-CB 3.44Å; V372-I392 PolarHBondContact O-N 3.26Å; V372-L442 HydrophobicContact CB-CD1 4.25Å; V372-L442 HydrophobicContact CG2-CD1 3.61Å; V372-I445 HydrophobicContact CG1-CD1 4.4Å |
| 373 | S | 89 | Confident | 79.1 | Confident | 80 Ų | 80 | 55.2 Ų | 55.2 | 56% | 0.559 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 121.3 | 170.8 | -169.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 374 | L | 92.2 | Very high | 78.1 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 129.4 | 179.5 | -173.8 | 70.5 | 0 | 0 | 0 | 110.8 | V376 N389 V390 I392 V401 M441 I445 Y461 | L374-V376 HydrophobicContact CD2-CG2 4.47Å; L374-N389 WeakPolarHBondContact O-CA 3.41Å; L374-V390 PolarHBondContact N-O 3.06Å; L374-V390 PolarHBondContact O-N 3.45Å; L374-I392 HydrophobicContact CB-CD1 3.97Å; L374-I392 HydrophobicContact CB-CG1 3.52Å; L374-I392 HydrophobicContact CD2-CD1 4.01Å; L374-I392 HydrophobicContact CD2-CG1 4.21Å; L374-I392 HydrophobicContact CG-CG1 4.47Å; L374-V401 HydrophobicContact CD2-CG1 4.24Å; L374-M441 HydrophobicContact CD2-CE 3.54Å; L374-I445 HydrophobicContact CD1-CD1 4Å; L374-Y461 HydrophobicContact CD1-CD2 3.57Å; L374-Y461 HydrophobicContact CD1-CE2 3.7Å; L374-Y461 HydrophobicContact CD1-CG 4.44Å; L374-Y461 HydrophobicContact CD2-CD2 4.29Å; L374-Y461 HydrophobicContact CD2-CG 4.37Å; L374-Y461 HydrophobicContact CG-CD2 4.22Å |
| 375 | K | 91.4 | Very high | 77.5 | Confident | 69 Ų | 69 | 61.5 Ų | 61.5 | 30% | 0.3 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 120.1 | 172.8 | -68.6 | 177.4 | -177.7 | 176.4 | 0 | 110 | M15 Y377 F387 C388 N389 | M15-K375 HydrophobicContact SD-CD 4.37Å; M15-K375 PolarHBondContact SD-NZ 2.81Å; K375-Y377 HydrophobicContact CB-CD2 4.47Å; K375-Y377 HydrophobicContact CB-CE2 3.73Å; K375-F387 HydrophobicContact CB-CD2 3.98Å; K375-F387 HydrophobicContact CB-CG 4.46Å; K375-F387 HydrophobicContact CD-CD2 3.96Å; K375-F387 HydrophobicContact CD-CE2 3.73Å; K375-F387 HydrophobicContact CD-CZ 4.18Å; K375-F387 HydrophobicContact CG-CD2 3.69Å; K375-F387 HydrophobicContact CG-CE2 3.8Å; K375-C388 WeakPolarHBondContact CA-O 3.13Å; K375-N389 VanDerWaalsContact CG-OD1 3.3Å; K375-N389 WeakPolarHBondContact CG-OD1 3.45Å |
| 376 | V | 93.4 | Very high | 77.4 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 125.4 | 172.6 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | L374 F387 C388 V390 V401 A405 F409 L421 Y461 L463 | L374-V376 HydrophobicContact CD2-CG2 4.47Å; V376-F387 CarbonylContact O-C 3.18Å; V376-F387 WeakPolarHBondContact O-CA 3.32Å; V376-F387 WeakPolarHBondContact O-CB 3.46Å; V376-C388 PolarHBondContact N-O 3.4Å; V376-C388 PolarHBondContact O-N 3.07Å; V376-V390 HydrophobicContact CG2-CB 4.48Å; V376-V390 HydrophobicContact CG2-CG2 3.83Å; V376-V401 HydrophobicContact CG2-CG1 3.5Å; V376-A405 HydrophobicContact CB-CB 4.16Å; V376-A405 HydrophobicContact CG1-CB 3.76Å; V376-A405 HydrophobicContact CG2-CB 4.5Å; V376-F409 HydrophobicContact CG1-CE2 4.47Å; V376-F409 WeakPolarHBondContact O-CZ 3.44Å; V376-L421 HydrophobicContact CG1-CD1 3.93Å; V376-Y461 WeakPolarHBondContact CA-O 3.47Å; V376-L463 HydrophobicContact CG1-CB 4.24Å |
| 377 | Y | 90.5 | Very high | 78.3 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 139.8 | -174.3 | -68.9 | -102.9 | 0 | 0 | 0 | 111.2 | K375 T386 F387 R460 Y461 Y462 L463 | K375-Y377 HydrophobicContact CB-CD2 4.47Å; K375-Y377 HydrophobicContact CB-CE2 3.73Å; Y377-T386 HydrophobicContact CD1-CG2 3.99Å; Y377-T386 HydrophobicContact CE1-CG2 4.16Å; Y377-F387 HydrophobicContact CD1-CB 3.81Å; Y377-F387 HydrophobicContact CD2-CB 4.28Å; Y377-F387 HydrophobicContact CE1-CB 3.98Å; Y377-F387 AromaticContact CE1-CD1 3.97Å; Y377-F387 HydrophobicContact CE1-CD1 3.97Å; Y377-F387 HydrophobicContact CE1-CG 4.22Å; Y377-F387 HydrophobicContact CE2-CB 4.42Å; Y377-F387 HydrophobicContact CG-CB 3.97Å; Y377-R460 HydrophobicContact CD2-CB 4.24Å; Y377-R460 HydrophobicContact CD2-CG 4.26Å; Y377-R460 HydrophobicContact CE2-CB 4.26Å; Y377-R460 VanDerWaalsContact CE2-CD 3.48Å; Y377-R460 HydrophobicContact CE2-CG 3.81Å; Y377-R460 PolarHBondContact OH-NE 2.94Å; Y377-Y461 PolarHBondContact N-O 2.95Å; Y377-Y462 HydrophobicContact CD1-CE1 4.45Å; Y377-Y462 HydrophobicContact CG-CD1 4.48Å; Y377-Y462 HydrophobicContact CG-CE1 4.07Å; Y377-Y462 CarbonylContact O-C 3.57Å; Y377-Y462 VanDerWaalsContact O-CA 3.31Å; Y377-Y462 WeakPolarHBondContact O-CA 3.47Å; Y377-L463 PolarHBondContact O-N 3.01Å |
| 378 | G | 82 | Confident | 79.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -115.9 | 14.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | W380 L381 I383 T386 | G378-W380 VanDerWaalsContact C-N 3.31Å; G378-W380 PolarHBondContact O-N 3.36Å; G378-W380 VanDerWaalsContact O-N 3.15Å; G378-L381 WeakPolarHBondContact O-CA 3.16Å; G378-L381 WeakPolarHBondContact O-CB 3.37Å; G378-L381 PolarHBondContact O-N 3.11Å; G378-I383 WeakPolarHBondContact O-CG1 3.23Å; G378-T386 PolarHBondContact N-O 2.88Å | ||
| 379 | G | 72.1 | Confident | 81.2 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -53.1 | -39.7 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | N94 L381 R382 | N94-G379 WeakPolarHBondContact OD1-CA 3.47Å; N94-G379 PolarHBondContact OD1-O 3.33Å; G379-L381 VanDerWaalsContact C-N 3.29Å; G379-L381 PolarHBondContact O-N 2.96Å; G379-R382 PolarHBondContact O-N 3.22Å; G379-R382 VanDerWaalsContact O-N 3.12Å |
| 380 | W | 71.8 | Confident | 82.6 | Confident | 72 Ų | 72 | 41.4 Ų | 41.4 | 27% | 0.273 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -72.7 | -18.4 | 177.9 | -67.2 | -55.5 | 0 | 0 | 0 | 114.5 | N94 P95 G378 R382 V424 Y462 | N94-W380 PolarHBondContact OD1-N 2.97Å; P95-W380 HydrophobicContact CG-CH2 4.11Å; P95-W380 HydrophobicContact CG-CZ2 3.86Å; G378-W380 VanDerWaalsContact C-N 3.31Å; G378-W380 PolarHBondContact O-N 3.36Å; G378-W380 VanDerWaalsContact O-N 3.15Å; W380-R382 PolarHBondContact O-N 2.89Å; W380-V424 HydrophobicContact CH2-CB 4.49Å; W380-V424 HydrophobicContact CH2-CG1 4.09Å; W380-V424 HydrophobicContact CH2-CG2 3.69Å; W380-V424 HydrophobicContact CZ3-CG2 3.85Å; W380-Y462 HydrophobicContact CD2-CD1 4.19Å; W380-Y462 AromaticContact CE3-CD1 3.42Å; W380-Y462 HydrophobicContact CE3-CD1 3.42Å; W380-Y462 VanDerWaalsContact CE3-CD1 3.42Å; W380-Y462 HydrophobicContact CE3-CE1 4.11Å; W380-Y462 AromaticContact CE3-CG 3.68Å; W380-Y462 HydrophobicContact CE3-CG 3.68Å; W380-Y462 HydrophobicContact CH2-CD1 4.14Å; W380-Y462 HydrophobicContact CH2-CD2 4.08Å; W380-Y462 HydrophobicContact CH2-CE1 4.29Å; W380-Y462 HydrophobicContact CH2-CE2 4.18Å; W380-Y462 HydrophobicContact CH2-CG 4.06Å; W380-Y462 AromaticContact CZ3-CD1 3.41Å; W380-Y462 HydrophobicContact CZ3-CD1 3.41Å; W380-Y462 VanDerWaalsContact CZ3-CD1 3.41Å; W380-Y462 AromaticContact CZ3-CD2 3.68Å; W380-Y462 HydrophobicContact CZ3-CD2 3.68Å; W380-Y462 HydrophobicContact CZ3-CE1 4Å; W380-Y462 HydrophobicContact CZ3-CE2 4.19Å; W380-Y462 AromaticContact CZ3-CG 3.25Å; W380-Y462 HydrophobicContact CZ3-CG 3.25Å |
| 381 | L | 75.6 | Confident | 83.7 | Confident | 29 Ų | 29 | 38.9 Ų | 38.9 | 15% | 0.152 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -80.9 | -1.4 | 172 | -53.5 | 177.3 | 0 | 0 | 0 | 111.8 | G378 G379 I383 M411 Y419 L463 E465 | G378-L381 WeakPolarHBondContact O-CA 3.16Å; G378-L381 WeakPolarHBondContact O-CB 3.37Å; G378-L381 PolarHBondContact O-N 3.11Å; G379-L381 VanDerWaalsContact C-N 3.29Å; G379-L381 PolarHBondContact O-N 2.96Å; L381-I383 HydrophobicContact CB-CG2 4.12Å; L381-I383 PolarHBondContact O-N 2.85Å; L381-I383 VanDerWaalsContact O-N 3.15Å; L381-M411 HydrophobicContact CD1-CE 4.05Å; L381-M411 HydrophobicContact CD1-SD 3.83Å; L381-Y419 HydrophobicContact CD1-CD1 4.36Å; L381-Y419 HydrophobicContact CD1-CE1 3.87Å; L381-Y419 HydrophobicContact CD2-CE1 3.96Å; L381-L463 HydrophobicContact CD1-CB 4.24Å; L381-L463 HydrophobicContact CD1-CD2 3.97Å; L381-L463 HydrophobicContact CD1-CG 4.12Å; L381-E465 HydrophobicContact CD2-CG 3.94Å |
| 382 | R | 72.2 | Confident | 84.3 | Confident | 88 Ų | 88 | 34.8 Ų | 34.8 | 33% | 0.332 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 34.3 | -178.3 | -61.9 | -166.6 | -169 | -152.8 | 11 | 114.4 | T150 I152 L155 G379 W380 | T150-R382 PolarHBondContact O-NH2 3.41Å; T150-R382 PolarHBondContact OG1-NH2 3.18Å; T150-R382 VanDerWaalsContact OG1-NH2 3.09Å; I152-R382 HydrophobicContact CD1-CB 4.28Å; I152-R382 VanDerWaalsContact CD1-CD 3.49Å; I152-R382 HydrophobicContact CD1-CG 3.5Å; I152-R382 VanDerWaalsContact CD1-CG 3.5Å; I152-R382 VanDerWaalsContact CD1-NE 3.28Å; L155-R382 HydrophobicContact CD1-CB 4.36Å; G379-R382 PolarHBondContact O-N 3.22Å; G379-R382 VanDerWaalsContact O-N 3.12Å; W380-R382 PolarHBondContact O-N 2.89Å |
| 383 | I | 74.8 | Confident | 84.6 | Confident | 20 Ų | 20 | 36.7 Ų | 36.7 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | trans | -75.2 | 157.4 | 174.3 | 55.8 | 168.1 | 0 | 0 | 0 | 111.8 | G378 L381 I385 F409 M411 | G378-I383 WeakPolarHBondContact O-CG1 3.23Å; L381-I383 HydrophobicContact CB-CG2 4.12Å; L381-I383 PolarHBondContact O-N 2.85Å; L381-I383 VanDerWaalsContact O-N 3.15Å; I383-I385 WeakPolarHBondContact CD1-O 3.23Å; I383-I385 WeakPolarHBondContact CG1-O 3.2Å; I383-I385 PolarHBondContact O-N 3.16Å; I383-F409 HydrophobicContact CD1-CB 3.82Å; I383-F409 HydrophobicContact CD1-CD1 3.11Å; I383-F409 HydrophobicContact CD1-CD2 3.73Å; I383-F409 HydrophobicContact CD1-CE1 3.4Å; I383-F409 VanDerWaalsContact CD1-CE1 3.4Å; I383-F409 HydrophobicContact CD1-CE2 4Å; I383-F409 HydrophobicContact CD1-CG 3.28Å; I383-F409 HydrophobicContact CD1-CZ 3.83Å; I383-M411 HydrophobicContact CG2-SD 4.4Å | ||
| 384 | P | 69.3 | Low | 84.6 | Confident | 116 Ų | 116 | 35.6 Ų | 35.6 | 75% | 0.753 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -65.2 | -23 | -177 | -22.7 | 34 | 0 | 0 | 0 | 114.5 | ||
| 385 | I | 75.9 | Confident | 84.6 | Confident | 63 Ų | 63 | 39.1 Ų | 39.1 | 32% | 0.323 | 22% | 0.221 | S | C | . | . | trans | -102.2 | 127.5 | -175.9 | -52.6 | 177.5 | 0 | 0 | 0 | 108.6 | Q11 I383 F387 F409 | Q11-I385 VanDerWaalsContact OE1-CG2 3.29Å; I383-I385 WeakPolarHBondContact CD1-O 3.23Å; I383-I385 WeakPolarHBondContact CG1-O 3.2Å; I383-I385 PolarHBondContact O-N 3.16Å; I385-F387 VanDerWaalsContact CG2-O 3.27Å; I385-F387 WeakPolarHBondContact CG2-O 3.23Å; I385-F409 HydrophobicContact CB-CD1 4.45Å | ||
| 386 | T | 79.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -65.5 | -45.9 | 179.8 | -68.1 | 0 | 0 | 0 | 0 | 112.3 | E9 L12 K93 Y377 G378 | E9-T386 PolarHBondContact OE1-OG1 3.24Å; E9-T386 WeakPolarHBondContact OE2-CB 3.31Å; E9-T386 PolarHBondContact OE2-N 3.24Å; E9-T386 PolarHBondContact OE2-OG1 2.95Å; L12-T386 HydrophobicContact CD1-CG2 4.44Å; L12-T386 HydrophobicContact CD2-CG2 4.23Å; L12-T386 HydrophobicContact CG-CG2 4.44Å; K93-T386 HydrophobicContact CG-CG2 4.24Å; Y377-T386 HydrophobicContact CD1-CG2 3.99Å; Y377-T386 HydrophobicContact CE1-CG2 4.16Å; G378-T386 PolarHBondContact N-O 2.88Å |
| 387 | F | 89 | Confident | 85 | Confident | 7 Ų | 7 | 38 Ų | 38 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 158 | 178.5 | 67.4 | -88.8 | 0 | 0 | 0 | 112.2 | Q11 L12 M15 K375 V376 Y377 I385 | Q11-F387 HydrophobicContact CB-CE1 3.96Å; Q11-F387 HydrophobicContact CB-CZ 4.19Å; Q11-F387 PolarHBondContact NE2-O 3.36Å; Q11-F387 PolarHBondContact OE1-O 3.28Å; L12-F387 HydrophobicContact CD2-CE1 4.31Å; M15-F387 HydrophobicContact CG-CE1 4.4Å; M15-F387 HydrophobicContact CG-CZ 4.04Å; M15-F387 HydrophobicContact SD-CD1 4.31Å; M15-F387 HydrophobicContact SD-CE1 3.25Å; M15-F387 WeakPolarHBondContact SD-CE1 3.5Å; M15-F387 HydrophobicContact SD-CE2 4.36Å; M15-F387 HydrophobicContact SD-CZ 3.29Å; M15-F387 WeakPolarHBondContact SD-CZ 3.09Å; K375-F387 HydrophobicContact CB-CD2 3.98Å; K375-F387 HydrophobicContact CB-CG 4.46Å; K375-F387 HydrophobicContact CD-CD2 3.96Å; K375-F387 HydrophobicContact CD-CE2 3.73Å; K375-F387 HydrophobicContact CD-CZ 4.18Å; K375-F387 HydrophobicContact CG-CD2 3.69Å; K375-F387 HydrophobicContact CG-CE2 3.8Å; V376-F387 CarbonylContact O-C 3.18Å; V376-F387 WeakPolarHBondContact O-CA 3.32Å; V376-F387 WeakPolarHBondContact O-CB 3.46Å; Y377-F387 HydrophobicContact CD1-CB 3.81Å; Y377-F387 HydrophobicContact CD2-CB 4.28Å; Y377-F387 HydrophobicContact CE1-CB 3.98Å; Y377-F387 AromaticContact CE1-CD1 3.97Å; Y377-F387 HydrophobicContact CE1-CD1 3.97Å; Y377-F387 HydrophobicContact CE1-CG 4.22Å; Y377-F387 HydrophobicContact CE2-CB 4.42Å; Y377-F387 HydrophobicContact CG-CB 3.97Å; I385-F387 VanDerWaalsContact CG2-O 3.27Å; I385-F387 WeakPolarHBondContact CG2-O 3.23Å |
| 388 | C | 91.1 | Very high | 85.2 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 157.9 | 170.2 | 75 | 0 | 0 | 0 | 0 | 110 | K375 V376 Q408 F409 | K375-C388 WeakPolarHBondContact CA-O 3.13Å; V376-C388 PolarHBondContact N-O 3.4Å; V376-C388 PolarHBondContact O-N 3.07Å; C388-Q408 HydrophobicContact CB-CB 3.82Å; C388-F409 HydrophobicContact CB-CD1 4.24Å; C388-F409 HydrophobicContact CB-CE1 3.83Å; C388-F409 HydrophobicContact CB-CZ 4.23Å |
| 389 | N | 92.2 | Very high | 85.7 | Confident | 75 Ų | 75 | 38.7 Ų | 38.7 | 40% | 0.401 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 119.9 | 178.9 | -70.3 | -43.9 | 0 | 0 | 0 | 108.8 | L374 K375 Q408 | L374-N389 WeakPolarHBondContact O-CA 3.41Å; K375-N389 VanDerWaalsContact CG-OD1 3.3Å; K375-N389 WeakPolarHBondContact CG-OD1 3.45Å; N389-Q408 PolarHBondContact O-NE2 3.06Å; N389-Q408 PolarHBondContact O-OE1 2.86Å |
| 390 | V | 94.7 | Very high | 86.8 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.024 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.2 | 177.8 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | L374 V376 I392 V401 E404 | L374-V390 PolarHBondContact N-O 3.06Å; L374-V390 PolarHBondContact O-N 3.45Å; V376-V390 HydrophobicContact CG2-CB 4.48Å; V376-V390 HydrophobicContact CG2-CG2 3.83Å; V390-I392 HydrophobicContact CB-CD1 4.42Å; V390-I392 HydrophobicContact CG1-CD1 3.91Å; V390-V401 HydrophobicContact CB-CG1 4.44Å; V390-V401 HydrophobicContact CG1-CB 4.48Å; V390-V401 HydrophobicContact CG1-CG1 4.31Å; V390-V401 HydrophobicContact CG1-CG2 4.15Å; V390-V401 HydrophobicContact CG2-CG1 4.32Å; V390-E404 HydrophobicContact CB-CG 4.49Å; V390-E404 HydrophobicContact CG1-CB 4.13Å; V390-E404 HydrophobicContact CG1-CG 3.97Å; V390-E404 HydrophobicContact CG2-CB 4.32Å; V390-E404 HydrophobicContact CG2-CG 4.03Å |
| 391 | S | 93.7 | Very high | 87.9 | Confident | 68 Ų | 68 | 40 Ų | 40 | 48% | 0.476 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 124.9 | 174.8 | -154.9 | 0 | 0 | 0 | 0 | 109.5 | N371 | N371-S391 VanDerWaalsContact CG-OG 3.24Å; N371-S391 PolarHBondContact ND2-OG 2.88Å; N371-S391 PolarHBondContact OD1-OG 3.44Å |
| 392 | I | 93.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 115.6 | -176.3 | -53.9 | -56.8 | 0 | 0 | 0 | 109.1 | N371 V372 L374 V390 T396 V401 M441 L442 I445 | N371-I392 CarbonylContact C-O 3.51Å; N371-I392 VanDerWaalsContact CA-O 3.24Å; N371-I392 WeakPolarHBondContact CA-O 3.39Å; N371-I392 PolarHBondContact OD1-N 2.61Å; N371-I392 PolarHBondContact OD1-O 3.34Å; N371-I392 VanDerWaalsContact OD1-O 3.06Å; V372-I392 HydrophobicContact CB-CB 4.46Å; V372-I392 PolarHBondContact N-O 3.49Å; V372-I392 WeakPolarHBondContact O-CB 3.44Å; V372-I392 PolarHBondContact O-N 3.26Å; L374-I392 HydrophobicContact CB-CD1 3.97Å; L374-I392 HydrophobicContact CB-CG1 3.52Å; L374-I392 HydrophobicContact CD2-CD1 4.01Å; L374-I392 HydrophobicContact CD2-CG1 4.21Å; L374-I392 HydrophobicContact CG-CG1 4.47Å; V390-I392 HydrophobicContact CB-CD1 4.42Å; V390-I392 HydrophobicContact CG1-CD1 3.91Å; I392-T396 HydrophobicContact CD1-CG2 3.82Å; I392-T396 HydrophobicContact CG2-CG2 4.5Å; I392-V401 HydrophobicContact CD1-CG2 3.36Å; I392-M441 HydrophobicContact CD1-CB 4.36Å; I392-M441 HydrophobicContact CG2-CB 3.74Å; I392-L442 HydrophobicContact CG2-CB 4.11Å; I392-I445 HydrophobicContact CG2-CD1 4.47Å |
| 393 | T | 92.5 | Very high | 89.7 | Confident | 55 Ų | 55 | 36.7 Ų | 36.7 | 34% | 0.337 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 176.8 | 173.4 | 73.5 | 0 | 0 | 0 | 0 | 111.4 | D370 S395 T396 | D370-T393 WeakPolarHBondContact O-CA 3.48Å; T393-S395 PolarHBondContact O-N 3.31Å; T393-S395 VanDerWaalsContact O-N 3.09Å; T393-S395 PolarHBondContact OG1-N 3.22Å; T393-S395 PolarHBondContact OG1-OG 3.13Å; T393-T396 PolarHBondContact N-OG1 2.95Å; T393-T396 PolarHBondContact O-N 3.15Å; T393-T396 VanDerWaalsContact O-N 3.14Å; T393-T396 PolarHBondContact OG1-OG1 2.84Å; T393-T396 VanDerWaalsContact OG1-OG1 3.06Å |
| 394 | A | 89.5 | Confident | 90.5 | Very high | 58 Ų | 58 | 39.8 Ų | 39.8 | 48% | 0.479 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -19.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | V440 L442 | A394-V440 WeakPolarHBondContact O-CG1 3.37Å; A394-L442 HydrophobicContact CB-CD2 4.09Å |
| 395 | S | 91.8 | Very high | 91.6 | Very high | 83 Ų | 83 | 34.3 Ų | 34.3 | 58% | 0.58 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | -2 | 178.6 | 64.2 | 0 | 0 | 0 | 0 | 113.9 | T393 T397 | T393-S395 PolarHBondContact O-N 3.31Å; T393-S395 VanDerWaalsContact O-N 3.09Å; T393-S395 PolarHBondContact OG1-N 3.22Å; T393-S395 PolarHBondContact OG1-OG 3.13Å; S395-T397 PolarHBondContact O-N 2.64Å |
| 396 | T | 96 | Very high | 92.2 | Very high | 13 Ų | 13 | 32 Ų | 32 | 8% | 0.08 | 20% | 0.197 | C | C | . | . | trans | -68.4 | 121.9 | -173.5 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | I392 T393 E400 V401 M441 | I392-T396 HydrophobicContact CD1-CG2 3.82Å; I392-T396 HydrophobicContact CG2-CG2 4.5Å; T393-T396 PolarHBondContact N-OG1 2.95Å; T393-T396 PolarHBondContact O-N 3.15Å; T393-T396 VanDerWaalsContact O-N 3.14Å; T393-T396 PolarHBondContact OG1-OG1 2.84Å; T393-T396 VanDerWaalsContact OG1-OG1 3.06Å; T396-E400 VanDerWaalsContact CA-OE2 3.26Å; T396-E400 WeakPolarHBondContact CA-OE2 3.16Å; T396-E400 HydrophobicContact CG2-CB 4.3Å; T396-V401 HydrophobicContact CG2-CG2 3.82Å; T396-M441 PolarHBondContact O-N 3.1Å | ||
| 397 | T | 96.4 | Very high | 92.6 | Very high | 33 Ų | 33 | 36.4 Ų | 36.4 | 20% | 0.202 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -92.9 | 158.8 | -179.9 | 64.5 | 0 | 0 | 0 | 0 | 112.2 | S395 G399 E400 V401 P437 E439 | S395-T397 PolarHBondContact O-N 2.64Å; T397-G399 PolarHBondContact O-N 3.15Å; T397-E400 PolarHBondContact N-OE2 2.72Å; T397-E400 WeakPolarHBondContact O-CB 3.11Å; T397-E400 PolarHBondContact O-N 3.11Å; T397-E400 VanDerWaalsContact O-N 3.11Å; T397-E400 WeakPolarHBondContact OG1-CG 3.48Å; T397-E400 PolarHBondContact OG1-N 2.77Å; T397-V401 WeakPolarHBondContact O-CG2 3.3Å; T397-V401 PolarHBondContact O-N 3.21Å; T397-V401 VanDerWaalsContact O-N 3.07Å; T397-P437 WeakPolarHBondContact CB-O 3.16Å; T397-E439 CarbonylContact C-O 3.59Å; T397-E439 VanDerWaalsContact CA-O 3.3Å; T397-E439 WeakPolarHBondContact CA-O 3.46Å |
| 398 | A | 94.6 | Very high | 92.6 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.8 | -34.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | V401 V402 L421 L435 D436 E439 M441 | A398-V401 PolarHBondContact O-N 2.99Å; A398-V402 WeakPolarHBondContact O-CG2 3.4Å; A398-V402 PolarHBondContact O-N 3.48Å; A398-L421 HydrophobicContact CB-CD2 4.4Å; A398-L435 HydrophobicContact CB-CB 4.15Å; A398-L435 HydrophobicContact CB-CD2 4.28Å; A398-D436 WeakPolarHBondContact CB-O 3.34Å; A398-E439 PolarHBondContact N-O 3.38Å; A398-M441 HydrophobicContact CB-CG 4.38Å; A398-M441 HydrophobicContact CB-SD 3.87Å |
| 399 | G | 93.4 | Very high | 92.4 | Very high | 19 Ų | 19 | 40.2 Ų | 40.2 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.8 | -37 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T397 V402 S403 P437 | T397-G399 PolarHBondContact O-N 3.15Å; G399-V402 PolarHBondContact O-N 3.06Å; G399-S403 PolarHBondContact O-N 2.94Å; G399-S403 VanDerWaalsContact O-N 3.08Å; G399-S403 PolarHBondContact O-OG 2.81Å; G399-P437 PolarHBondContact N-O 3.22Å |
| 400 | E | 95 | Very high | 91.8 | Very high | 100 Ų | 100 | 39.6 Ų | 39.6 | 47% | 0.467 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68 | -39.6 | 173.2 | -71.6 | 167.7 | 172.6 | 0 | 0 | 111.2 | T396 T397 V402 S403 E404 | T396-E400 VanDerWaalsContact CA-OE2 3.26Å; T396-E400 WeakPolarHBondContact CA-OE2 3.16Å; T396-E400 HydrophobicContact CG2-CB 4.3Å; T397-E400 PolarHBondContact N-OE2 2.72Å; T397-E400 WeakPolarHBondContact O-CB 3.11Å; T397-E400 PolarHBondContact O-N 3.11Å; T397-E400 VanDerWaalsContact O-N 3.11Å; T397-E400 WeakPolarHBondContact OG1-CG 3.48Å; T397-E400 PolarHBondContact OG1-N 2.77Å; E400-V402 VanDerWaalsContact C-N 3.32Å; E400-V402 PolarHBondContact O-N 3.06Å; E400-S403 WeakPolarHBondContact O-CB 3.22Å; E400-S403 PolarHBondContact O-N 3.16Å; E400-S403 VanDerWaalsContact O-N 3.14Å; E400-E404 PolarHBondContact O-N 3.39Å |
| 401 | V | 95.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.6 | -43 | 173.9 | 176.1 | 0 | 0 | 0 | 0 | 111.7 | L374 V376 V390 I392 T396 T397 A398 S403 A405 L421 M441 | L374-V401 HydrophobicContact CD2-CG1 4.24Å; V376-V401 HydrophobicContact CG2-CG1 3.5Å; V390-V401 HydrophobicContact CB-CG1 4.44Å; V390-V401 HydrophobicContact CG1-CB 4.48Å; V390-V401 HydrophobicContact CG1-CG1 4.31Å; V390-V401 HydrophobicContact CG1-CG2 4.15Å; V390-V401 HydrophobicContact CG2-CG1 4.32Å; I392-V401 HydrophobicContact CD1-CG2 3.36Å; T396-V401 HydrophobicContact CG2-CG2 3.82Å; T397-V401 WeakPolarHBondContact O-CG2 3.3Å; T397-V401 PolarHBondContact O-N 3.21Å; T397-V401 VanDerWaalsContact O-N 3.07Å; A398-V401 PolarHBondContact O-N 2.99Å; V401-S403 VanDerWaalsContact C-N 3.34Å; V401-S403 PolarHBondContact O-N 3.15Å; V401-A405 VanDerWaalsContact O-CB 3.25Å; V401-A405 WeakPolarHBondContact O-CB 3.49Å; V401-A405 PolarHBondContact O-N 3.43Å; V401-L421 HydrophobicContact CB-CD2 4.2Å; V401-L421 HydrophobicContact CG1-CD1 4.37Å; V401-L421 HydrophobicContact CG1-CD2 3.82Å; V401-M441 HydrophobicContact CG2-CG 3.88Å |
| 402 | V | 92.9 | Very high | 88.9 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.2 | -46 | 174.2 | 166.6 | 0 | 0 | 0 | 0 | 110.9 | A398 G399 E400 E404 A405 I406 L421 L463 | A398-V402 WeakPolarHBondContact O-CG2 3.4Å; A398-V402 PolarHBondContact O-N 3.48Å; G399-V402 PolarHBondContact O-N 3.06Å; E400-V402 VanDerWaalsContact C-N 3.32Å; E400-V402 PolarHBondContact O-N 3.06Å; V402-E404 PolarHBondContact O-N 3Å; V402-A405 PolarHBondContact O-N 3.15Å; V402-I406 HydrophobicContact CG1-CD1 3.72Å; V402-I406 HydrophobicContact CG1-CG1 4.44Å; V402-I406 VanDerWaalsContact O-CG1 3.24Å; V402-I406 WeakPolarHBondContact O-CG1 3.34Å; V402-I406 PolarHBondContact O-N 2.66Å; V402-L421 HydrophobicContact CG2-CB 3.86Å; V402-L463 HydrophobicContact CB-CD1 4.33Å; V402-L463 HydrophobicContact CG1-CD1 3.93Å; V402-L463 HydrophobicContact CG2-CD1 4.09Å |
| 403 | S | 91.5 | Very high | 87 | Confident | 41 Ų | 41 | 51 Ų | 51 | 29% | 0.287 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.8 | -48.9 | -179.3 | -50.3 | 0 | 0 | 0 | 0 | 111.8 | G399 E400 V401 I406 C407 N416 | G399-S403 PolarHBondContact O-N 2.94Å; G399-S403 VanDerWaalsContact O-N 3.08Å; G399-S403 PolarHBondContact O-OG 2.81Å; E400-S403 WeakPolarHBondContact O-CB 3.22Å; E400-S403 PolarHBondContact O-N 3.16Å; E400-S403 VanDerWaalsContact O-N 3.14Å; V401-S403 VanDerWaalsContact C-N 3.34Å; V401-S403 PolarHBondContact O-N 3.15Å; S403-I406 PolarHBondContact O-N 3.32Å; S403-C407 PolarHBondContact O-N 3.38Å; S403-C407 VanDerWaalsContact O-N 3.16Å; S403-N416 VanDerWaalsContact OG-CG 3.3Å; S403-N416 PolarHBondContact OG-ND2 3.41Å; S403-N416 PolarHBondContact OG-OD1 3.37Å |
| 404 | E | 92.6 | Very high | 85.3 | Confident | 86 Ų | 86 | 52 Ų | 52 | 40% | 0.402 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | -180 | -176.7 | 61.5 | -162.6 | 0 | 0 | 111.3 | V390 E400 V402 C407 Q408 | V390-E404 HydrophobicContact CB-CG 4.49Å; V390-E404 HydrophobicContact CG1-CB 4.13Å; V390-E404 HydrophobicContact CG1-CG 3.97Å; V390-E404 HydrophobicContact CG2-CB 4.32Å; V390-E404 HydrophobicContact CG2-CG 4.03Å; E400-E404 PolarHBondContact O-N 3.39Å; V402-E404 PolarHBondContact O-N 3Å; E404-C407 WeakPolarHBondContact O-CB 3.5Å; E404-C407 PolarHBondContact O-N 2.88Å; E404-Q408 WeakPolarHBondContact O-CG 3.11Å; E404-Q408 PolarHBondContact O-N 3.46Å; E404-Q408 PolarHBondContact OE1-NE2 2.81Å |
| 405 | A | 92 | Very high | 84 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V376 V401 V402 C407 Q408 F409 L463 | V376-A405 HydrophobicContact CB-CB 4.16Å; V376-A405 HydrophobicContact CG1-CB 3.76Å; V376-A405 HydrophobicContact CG2-CB 4.5Å; V401-A405 VanDerWaalsContact O-CB 3.25Å; V401-A405 WeakPolarHBondContact O-CB 3.49Å; V401-A405 PolarHBondContact O-N 3.43Å; V402-A405 PolarHBondContact O-N 3.15Å; A405-C407 VanDerWaalsContact C-N 3.3Å; A405-C407 PolarHBondContact O-N 2.79Å; A405-Q408 PolarHBondContact O-N 2.86Å; A405-F409 HydrophobicContact CB-CD2 4.4Å; A405-F409 HydrophobicContact CB-CE2 4.2Å; A405-F409 WeakPolarHBondContact O-CB 3.42Å; A405-F409 WeakPolarHBondContact O-CD2 3.41Å; A405-F409 VanDerWaalsContact O-CG 3.3Å; A405-F409 WeakPolarHBondContact O-CG 3.5Å; A405-F409 PolarHBondContact O-N 3.31Å; A405-L463 HydrophobicContact CB-CD2 4.44Å |
| 406 | I | 88.1 | Confident | 82.7 | Confident | 14 Ų | 14 | 52 Ų | 52 | 7% | 0.072 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 175 | -70.5 | 166.8 | 0 | 0 | 0 | 110.5 | V402 S403 G410 M411 Y419 L463 | V402-I406 HydrophobicContact CG1-CD1 3.72Å; V402-I406 HydrophobicContact CG1-CG1 4.44Å; V402-I406 VanDerWaalsContact O-CG1 3.24Å; V402-I406 WeakPolarHBondContact O-CG1 3.34Å; V402-I406 PolarHBondContact O-N 2.66Å; S403-I406 PolarHBondContact O-N 3.32Å; I406-G410 PolarHBondContact O-N 2.83Å; I406-M411 HydrophobicContact CB-CE 4.35Å; I406-M411 HydrophobicContact CG1-CE 3.81Å; I406-M411 HydrophobicContact CG2-CB 4.32Å; I406-M411 HydrophobicContact CG2-CE 4.38Å; I406-M411 PolarHBondContact O-N 2.86Å; I406-Y419 HydrophobicContact CD1-CD2 3.74Å; I406-Y419 HydrophobicContact CD1-CE2 4.49Å; I406-Y419 HydrophobicContact CD1-CG 4.29Å; I406-Y419 HydrophobicContact CG1-CD2 4.22Å; I406-L463 HydrophobicContact CG1-CD2 3.87Å |
| 407 | C | 88.1 | Confident | 81.6 | Confident | 94 Ų | 94 | 55.2 Ų | 55.2 | 64% | 0.635 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.3 | -50.7 | 177.7 | -172.9 | 0 | 0 | 0 | 0 | 111.4 | S403 E404 A405 F409 G410 | S403-C407 PolarHBondContact O-N 3.38Å; S403-C407 VanDerWaalsContact O-N 3.16Å; E404-C407 WeakPolarHBondContact O-CB 3.5Å; E404-C407 PolarHBondContact O-N 2.88Å; A405-C407 VanDerWaalsContact C-N 3.3Å; A405-C407 PolarHBondContact O-N 2.79Å; C407-F409 PolarHBondContact O-N 3.16Å; C407-G410 PolarHBondContact O-N 3.48Å; C407-G410 VanDerWaalsContact O-N 3.08Å |
| 408 | Q | 89.3 | Confident | 80.7 | Confident | 77 Ų | 77 | 55.4 Ų | 55.4 | 36% | 0.36 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.1 | -30.7 | -178.1 | -70.1 | -168.4 | 32.9 | 0 | 0 | 113.7 | C388 N389 E404 A405 G410 | C388-Q408 HydrophobicContact CB-CB 3.82Å; N389-Q408 PolarHBondContact O-NE2 3.06Å; N389-Q408 PolarHBondContact O-OE1 2.86Å; E404-Q408 WeakPolarHBondContact O-CG 3.11Å; E404-Q408 PolarHBondContact O-N 3.46Å; E404-Q408 PolarHBondContact OE1-NE2 2.81Å; A405-Q408 PolarHBondContact O-N 2.86Å; Q408-G410 PolarHBondContact O-N 3.13Å |
| 409 | F | 86.9 | Confident | 80.3 | Confident | 17 Ų | 17 | 55.9 Ų | 55.9 | 8% | 0.075 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -75.2 | -8.9 | 173 | -68.2 | -40.1 | 0 | 0 | 0 | 113.5 | V376 I383 I385 C388 A405 C407 M411 L463 | V376-F409 HydrophobicContact CG1-CE2 4.47Å; V376-F409 WeakPolarHBondContact O-CZ 3.44Å; I383-F409 HydrophobicContact CD1-CB 3.82Å; I383-F409 HydrophobicContact CD1-CD1 3.11Å; I383-F409 HydrophobicContact CD1-CD2 3.73Å; I383-F409 HydrophobicContact CD1-CE1 3.4Å; I383-F409 VanDerWaalsContact CD1-CE1 3.4Å; I383-F409 HydrophobicContact CD1-CE2 4Å; I383-F409 HydrophobicContact CD1-CG 3.28Å; I383-F409 HydrophobicContact CD1-CZ 3.83Å; I385-F409 HydrophobicContact CB-CD1 4.45Å; C388-F409 HydrophobicContact CB-CD1 4.24Å; C388-F409 HydrophobicContact CB-CE1 3.83Å; C388-F409 HydrophobicContact CB-CZ 4.23Å; A405-F409 HydrophobicContact CB-CD2 4.4Å; A405-F409 HydrophobicContact CB-CE2 4.2Å; A405-F409 WeakPolarHBondContact O-CB 3.42Å; A405-F409 WeakPolarHBondContact O-CD2 3.41Å; A405-F409 VanDerWaalsContact O-CG 3.3Å; A405-F409 WeakPolarHBondContact O-CG 3.5Å; A405-F409 PolarHBondContact O-N 3.31Å; C407-F409 PolarHBondContact O-N 3.16Å; F409-M411 VanDerWaalsContact C-N 3.3Å; F409-M411 HydrophobicContact CB-CG 4Å; F409-M411 PolarHBondContact O-N 3.47Å; F409-L463 HydrophobicContact CD2-CD2 3.83Å; F409-L463 HydrophobicContact CE2-CB 4.24Å; F409-L463 HydrophobicContact CE2-CD2 4.03Å |
| 410 | G | 79.9 | Confident | 80 | Confident | 62 Ų | 62 | 55.7 Ų | 55.7 | 64% | 0.639 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 28.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I406 C407 Q408 | I406-G410 PolarHBondContact O-N 2.83Å; C407-G410 PolarHBondContact O-N 3.48Å; C407-G410 VanDerWaalsContact O-N 3.08Å; Q408-G410 PolarHBondContact O-N 3.13Å |
| 411 | M | 71.7 | Confident | 79.9 | Confident | 27 Ų | 27 | 51.1 Ų | 51.1 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | trans | -77.6 | 126.9 | -178.5 | -62.8 | -163.5 | -55.5 | 0 | 0 | 110.7 | L381 I383 I406 F409 I413 Y419 L463 | L381-M411 HydrophobicContact CD1-CE 4.05Å; L381-M411 HydrophobicContact CD1-SD 3.83Å; I383-M411 HydrophobicContact CG2-SD 4.4Å; I406-M411 HydrophobicContact CB-CE 4.35Å; I406-M411 HydrophobicContact CG1-CE 3.81Å; I406-M411 HydrophobicContact CG2-CB 4.32Å; I406-M411 HydrophobicContact CG2-CE 4.38Å; I406-M411 PolarHBondContact O-N 2.86Å; F409-M411 VanDerWaalsContact C-N 3.3Å; F409-M411 HydrophobicContact CB-CG 4Å; F409-M411 PolarHBondContact O-N 3.47Å; M411-I413 PolarHBondContact O-N 2.89Å; M411-Y419 HydrophobicContact CE-CD1 4.36Å; M411-Y419 HydrophobicContact CE-CD2 4.37Å; M411-Y419 HydrophobicContact CE-CE1 3.81Å; M411-Y419 HydrophobicContact CE-CE2 3.84Å; M411-Y419 HydrophobicContact SD-CE1 4.46Å; M411-L463 HydrophobicContact CE-CD2 3.44Å; M411-L463 VanDerWaalsContact CE-CD2 3.44Å | ||
| 412 | P | 55.4 | Low | 79.6 | Confident | 104 Ų | 104 | 51.1 Ų | 51.1 | 68% | 0.675 | 31% | 0.306 | S | S | * | . | trans | -71.6 | 124.5 | -173.8 | 25.8 | -32 | 0 | 0 | 0 | 112.1 | M414 | P412-M414 VanDerWaalsContact O-CG 3.26Å; P412-M414 WeakPolarHBondContact O-CG 3.44Å; P412-M414 PolarHBondContact O-N 3.22Å | ||
| 413 | I | 53.2 | Low | 79.4 | Confident | 179 Ų | 179 | 50.9 Ų | 50.9 | 92% | 0.918 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 46.8 | 41.4 | 155.5 | -37 | 175.3 | 0 | 0 | 0 | 114.2 | M411 | M411-I413 PolarHBondContact O-N 2.89Š|
| 414 | M | 57.9 | Low | 79.2 | Confident | 76 Ų | 76 | 49 Ų | 49 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | trans | -105.4 | 126.4 | 171.8 | -62.8 | -127.7 | 71 | 0 | 0 | 108.7 | P412 T418 Y419 | P412-M414 VanDerWaalsContact O-CG 3.26Å; P412-M414 WeakPolarHBondContact O-CG 3.44Å; P412-M414 PolarHBondContact O-N 3.22Å; M414-T418 HydrophobicContact CE-CG2 3.61Å; M414-T418 HydrophobicContact SD-CG2 4.13Å; M414-Y419 HydrophobicContact CB-CD2 4.38Å; M414-Y419 HydrophobicContact CB-CE2 3.59Å; M414-Y419 HydrophobicContact CG-CE2 4.12Å; M414-Y419 HydrophobicContact SD-CE2 3.89Å; M414-Y419 PolarHBondContact SD-OH 2.82Å | ||
| 415 | S | 62.2 | Low | 78.8 | Confident | 62 Ų | 62 | 46.7 Ų | 46.7 | 43% | 0.434 | 28% | 0.281 | S | S | . | . | trans | -64.5 | 151.3 | 178.4 | 70.6 | 0 | 0 | 0 | 0 | 110.9 | S417 T418 | S415-S417 PolarHBondContact O-N 3.1Å; S415-S417 WeakPolarHBondContact OG-CB 2.9Å; S415-S417 PolarHBondContact OG-N 3.07Å; S415-S417 PolarHBondContact OG-OG 3.33Å; S415-T418 WeakPolarHBondContact O-CB 3.27Å; S415-T418 PolarHBondContact O-N 3.39Å; S415-T418 PolarHBondContact O-OG1 2.96Å; S415-T418 PolarHBondContact OG-OG1 2.73Å | ||
| 416 | N | 63.8 | Low | 78.3 | Confident | 79 Ų | 79 | 46.7 Ų | 46.7 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -19.4 | 166.1 | -68.3 | -12.8 | 0 | 0 | 0 | 113.1 | S403 T418 | S403-N416 VanDerWaalsContact OG-CG 3.3Å; S403-N416 PolarHBondContact OG-ND2 3.41Å; S403-N416 PolarHBondContact OG-OD1 3.37Å; N416-T418 PolarHBondContact O-N 3.12Å |
| 417 | S | 72.8 | Confident | 77.6 | Confident | 81 Ų | 81 | 47.7 Ų | 47.7 | 57% | 0.566 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -21.3 | 176.9 | 84.3 | 0 | 0 | 0 | 0 | 113.2 | S415 K466 | S415-S417 PolarHBondContact O-N 3.1Å; S415-S417 WeakPolarHBondContact OG-CB 2.9Å; S415-S417 PolarHBondContact OG-N 3.07Å; S415-S417 PolarHBondContact OG-OG 3.33Å; S417-K466 WeakPolarHBondContact O-CD 3.43Å; S417-K466 WeakPolarHBondContact O-CE 3.48Å; S417-K466 PolarHBondContact O-NZ 3.32Å |
| 418 | T | 77.1 | Confident | 76.9 | Confident | 37 Ų | 37 | 50.2 Ų | 50.2 | 23% | 0.227 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -27.5 | -177.9 | -51 | 0 | 0 | 0 | 0 | 113.1 | M414 S415 N416 E465 K466 | M414-T418 HydrophobicContact CE-CG2 3.61Å; M414-T418 HydrophobicContact SD-CG2 4.13Å; S415-T418 WeakPolarHBondContact O-CB 3.27Å; S415-T418 PolarHBondContact O-N 3.39Å; S415-T418 PolarHBondContact O-OG1 2.96Å; S415-T418 PolarHBondContact OG-OG1 2.73Å; N416-T418 PolarHBondContact O-N 3.12Å; T418-E465 CarbonylContact O-C 3.51Å; T418-K466 WeakPolarHBondContact O-CB 3.23Å; T418-K466 WeakPolarHBondContact O-CG 3.46Å; T418-K466 PolarHBondContact O-N 2.77Å |
| 419 | Y | 86 | Confident | 75.9 | Confident | 13 Ų | 13 | 47.2 Ų | 47.2 | 5% | 0.051 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 152.9 | -173.9 | -64.6 | -88.7 | 0 | 0 | 0 | 112.3 | L381 I406 M411 M414 L463 Q464 E465 K466 | L381-Y419 HydrophobicContact CD1-CD1 4.36Å; L381-Y419 HydrophobicContact CD1-CE1 3.87Å; L381-Y419 HydrophobicContact CD2-CE1 3.96Å; I406-Y419 HydrophobicContact CD1-CD2 3.74Å; I406-Y419 HydrophobicContact CD1-CE2 4.49Å; I406-Y419 HydrophobicContact CD1-CG 4.29Å; I406-Y419 HydrophobicContact CG1-CD2 4.22Å; M411-Y419 HydrophobicContact CE-CD1 4.36Å; M411-Y419 HydrophobicContact CE-CD2 4.37Å; M411-Y419 HydrophobicContact CE-CE1 3.81Å; M411-Y419 HydrophobicContact CE-CE2 3.84Å; M411-Y419 HydrophobicContact SD-CE1 4.46Å; M414-Y419 HydrophobicContact CB-CD2 4.38Å; M414-Y419 HydrophobicContact CB-CE2 3.59Å; M414-Y419 HydrophobicContact CG-CE2 4.12Å; M414-Y419 HydrophobicContact SD-CE2 3.89Å; M414-Y419 PolarHBondContact SD-OH 2.82Å; Y419-L463 HydrophobicContact CD1-CD1 4.36Å; Y419-L463 HydrophobicContact CD1-CD2 4.29Å; Y419-L463 HydrophobicContact CD1-CG 3.93Å; Y419-L463 HydrophobicContact CG-CD1 4.23Å; Y419-L463 HydrophobicContact CG-CG 4.26Å; Y419-Q464 CarbonylContact C-O 3.5Å; Y419-Q464 VanDerWaalsContact CA-O 3.32Å; Y419-Q464 WeakPolarHBondContact CA-O 3.36Å; Y419-E465 HydrophobicContact CD1-CG 3.97Å; Y419-E465 HydrophobicContact CE1-CB 4.36Å; Y419-E465 HydrophobicContact CE1-CG 3.38Å; Y419-K466 WeakPolarHBondContact O-CE 3.24Å |
| 420 | S | 87.8 | Confident | 75.1 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 11% | 0.105 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 152.7 | 171.1 | 51.5 | 0 | 0 | 0 | 0 | 110.3 | Q464 | S420-Q464 PolarHBondContact N-O 3.42Å; S420-Q464 PolarHBondContact O-N 3.5Å; S420-Q464 PolarHBondContact OG-O 2.8Å |
| 421 | L | 92.3 | Very high | 74.7 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 127.9 | 169.3 | -162.3 | 64.3 | 0 | 0 | 0 | 108.5 | V376 A398 V401 V402 L435 M441 Y461 | V376-L421 HydrophobicContact CG1-CD1 3.93Å; A398-L421 HydrophobicContact CB-CD2 4.4Å; V401-L421 HydrophobicContact CB-CD2 4.2Å; V401-L421 HydrophobicContact CG1-CD1 4.37Å; V401-L421 HydrophobicContact CG1-CD2 3.82Å; V402-L421 HydrophobicContact CG2-CB 3.86Å; L421-L435 HydrophobicContact CD2-CD2 4.15Å; L421-L435 PolarHBondContact O-N 2.97Å; L421-M441 HydrophobicContact CD2-CE 3.96Å; L421-M441 HydrophobicContact CD2-SD 4.18Å; L421-Y461 HydrophobicContact CD2-CD1 4.22Å; L421-Y461 HydrophobicContact CG-CD1 4.34Å |
| 422 | V | 89.3 | Confident | 74.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 138.7 | 178.4 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | V424 V431 R433 T434 Y461 Y462 Q464 | V422-V424 HydrophobicContact CG2-CG2 4.15Å; V422-V431 HydrophobicContact CB-CG1 3.98Å; V422-V431 HydrophobicContact CG1-CG1 4.39Å; V422-V431 HydrophobicContact CG2-CG1 4.48Å; V422-R433 WeakPolarHBondContact CA-O 3.47Å; V422-T434 HydrophobicContact CG1-CG2 4.15Å; V422-Y461 WeakPolarHBondContact O-CA 3.38Å; V422-Y462 PolarHBondContact N-O 2.83Å; V422-Y462 PolarHBondContact O-N 2.75Å; V422-Q464 HydrophobicContact CG1-CB 4.21Å; V422-Q464 HydrophobicContact CG2-CB 4.05Å |
| 423 | E | 89.8 | Confident | 76.3 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.009 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 129.7 | 172.5 | -163.5 | 177.2 | 160.5 | 0 | 0 | 109.3 | V431 D432 R433 L435 Q448 T459 Y461 | E423-V431 CarbonylContact O-C 3.54Å; E423-D432 HydrophobicContact CB-CB 4.5Å; E423-D432 PolarHBondContact O-N 3.46Å; E423-R433 HydrophobicContact CB-CG 3.82Å; E423-R433 PolarHBondContact N-O 3.48Å; E423-R433 IonicContact OE2-CZ 3.61Å; E423-R433 IonicContact OE2-NE 3.41Å; E423-R433 PolarHBondContact OE2-NE 3.22Å; E423-R433 IonicContact OE2-NH2 2.78Å; E423-L435 HydrophobicContact CB-CD1 3.91Å; E423-Q448 VanDerWaalsContact CD-NE2 3.26Å; E423-Q448 PolarHBondContact OE1-NE2 3.09Å; E423-Q448 PolarHBondContact OE2-NE2 3.41Å; E423-T459 HydrophobicContact CG-CG2 3.37Å; E423-T459 VanDerWaalsContact OE1-CG2 3.3Å; E423-T459 WeakPolarHBondContact OE1-CG2 3.46Å; E423-T459 PolarHBondContact OE1-OG1 2.64Å; E423-Y461 HydrophobicContact CG-CE1 4.44Å |
| 424 | V | 86.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 121.6 | -178.1 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | P95 W380 V422 L426 V431 R460 Y462 | P95-V424 HydrophobicContact CG-CG1 3.75Å; W380-V424 HydrophobicContact CH2-CB 4.49Å; W380-V424 HydrophobicContact CH2-CG1 4.09Å; W380-V424 HydrophobicContact CH2-CG2 3.69Å; W380-V424 HydrophobicContact CZ3-CG2 3.85Å; V422-V424 HydrophobicContact CG2-CG2 4.15Å; V424-L426 PolarHBondContact O-N 3.47Å; V424-V431 HydrophobicContact CG2-CG2 4.19Å; V424-R460 PolarHBondContact N-O 3.1Å; V424-R460 PolarHBondContact O-N 3.18Å; V424-Y462 HydrophobicContact CB-CD2 3.83Å; V424-Y462 HydrophobicContact CB-CE2 3.86Å; V424-Y462 HydrophobicContact CG1-CE2 4.17Å; V424-Y462 HydrophobicContact CG2-CD2 3.45Å; V424-Y462 VanDerWaalsContact CG2-CD2 3.45Å; V424-Y462 HydrophobicContact CG2-CE2 3.95Å; V424-Y462 HydrophobicContact CG2-CG 4.29Å |
| 425 | E | 85.2 | Confident | 79.4 | Confident | 39 Ų | 39 | 37.6 Ų | 37.6 | 18% | 0.182 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 108.4 | 173.2 | -170.5 | -178.2 | -170.6 | 0 | 0 | 109.3 | S427 R428 G429 V430 | E425-S427 VanDerWaalsContact C-N 3.27Å; E425-S427 VanDerWaalsContact CD-OG 3.3Å; E425-S427 WeakPolarHBondContact CG-OG 3.21Å; E425-S427 PolarHBondContact O-N 3.08Å; E425-S427 PolarHBondContact OE1-OG 2.59Å; E425-R428 PolarHBondContact O-N 2.75Å; E425-R428 WeakPolarHBondContact OE2-CD 3.48Å; E425-G429 PolarHBondContact O-N 2.75Å; E425-V430 PolarHBondContact N-O 3.49Å |
| 426 | L | 80.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -32.6 | -176.1 | -71.8 | 179.3 | 0 | 0 | 0 | 113.5 | M89 P95 S143 V424 R428 G429 S458 R460 | M89-L426 HydrophobicContact CG-CB 4Å; M89-L426 HydrophobicContact CG-CD1 4.1Å; M89-L426 HydrophobicContact SD-CB 4.06Å; P95-L426 HydrophobicContact CB-CD2 3.89Å; P95-L426 HydrophobicContact CG-CD2 3.93Å; S143-L426 WeakPolarHBondContact CB-O 3.42Å; S143-L426 PolarHBondContact OG-O 3.32Å; V424-L426 PolarHBondContact O-N 3.47Å; L426-R428 PolarHBondContact O-N 3.31Å; L426-G429 PolarHBondContact O-N 3.21Å; L426-S458 VanDerWaalsContact CB-O 3.24Å; L426-S458 WeakPolarHBondContact CB-O 3.48Å; L426-S458 VanDerWaalsContact CG-O 3.23Å; L426-S458 WeakPolarHBondContact CG-O 3.47Å; L426-S458 PolarHBondContact N-O 2.84Å; L426-R460 HydrophobicContact CD1-CG 3.96Å; L426-R460 HydrophobicContact CD2-CG 4.26Å; L426-R460 HydrophobicContact CG-CG 4.07Å |
| 427 | S | 73.5 | Confident | 82.1 | Confident | 35 Ų | 35 | 38.9 Ų | 38.9 | 25% | 0.245 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -30.8 | -178.2 | 69 | 0 | 0 | 0 | 0 | 111.9 | S143 E425 | S143-S427 PolarHBondContact OG-O 3.43Å; E425-S427 VanDerWaalsContact C-N 3.27Å; E425-S427 VanDerWaalsContact CD-OG 3.3Å; E425-S427 WeakPolarHBondContact CG-OG 3.21Å; E425-S427 PolarHBondContact O-N 3.08Å; E425-S427 PolarHBondContact OE1-OG 2.59Å |
| 428 | R | 72.7 | Confident | 83.2 | Confident | 147 Ų | 147 | 39.2 Ų | 39.2 | 56% | 0.555 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -23.1 | 178.6 | -59.1 | -177.1 | 75.5 | -163 | 1.3 | 112.5 | A97 E425 L426 V430 | A97-R428 WeakPolarHBondContact CA-O 3.29Å; A97-R428 WeakPolarHBondContact CB-O 3.44Å; E425-R428 PolarHBondContact O-N 2.75Å; E425-R428 WeakPolarHBondContact OE2-CD 3.48Å; L426-R428 PolarHBondContact O-N 3.31Å; R428-V430 VanDerWaalsContact C-N 3.31Å; R428-V430 HydrophobicContact CB-CG2 4.27Å |
| 429 | G | 68.6 | Low | 84 | Confident | 14 Ų | 14 | 39.9 Ų | 39.9 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 33.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E425 L426 | E425-G429 PolarHBondContact O-N 2.75Å; L426-G429 PolarHBondContact O-N 3.21Å |
| 430 | V | 71 | Confident | 84.4 | Confident | 37 Ų | 37 | 41.3 Ų | 41.3 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 144.4 | -177 | -177.4 | 0 | 0 | 0 | 0 | 109 | A97 E425 R428 D432 | A97-V430 HydrophobicContact CB-CG2 4.37Å; E425-V430 PolarHBondContact N-O 3.49Å; R428-V430 VanDerWaalsContact C-N 3.31Å; R428-V430 HydrophobicContact CB-CG2 4.27Å; V430-D432 PolarHBondContact O-N 2.77Å |
| 431 | V | 70.9 | Confident | 84.7 | Confident | 36 Ų | 36 | 40.6 Ų | 40.6 | 22% | 0.218 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 117.1 | 168.6 | 177.9 | 0 | 0 | 0 | 0 | 107.8 | V422 E423 V424 | V422-V431 HydrophobicContact CB-CG1 3.98Å; V422-V431 HydrophobicContact CG1-CG1 4.39Å; V422-V431 HydrophobicContact CG2-CG1 4.48Å; E423-V431 CarbonylContact O-C 3.54Å; V424-V431 HydrophobicContact CG2-CG2 4.19Å |
| 432 | D | 75 | Confident | 84.7 | Confident | 58 Ų | 58 | 40.5 Ų | 40.5 | 31% | 0.31 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -44.3 | -179 | -168.2 | 35.1 | 0 | 0 | 0 | 110.4 | E423 V430 R455 | E423-D432 HydrophobicContact CB-CB 4.5Å; E423-D432 PolarHBondContact O-N 3.46Å; V430-D432 PolarHBondContact O-N 2.77Å; D432-R455 IonicContact OD1-NH2 3.1Å; D432-R455 IonicContact OD2-CZ 2.88Å; D432-R455 IonicContact OD2-NH2 2.76Å; D432-R455 PolarHBondContact OD2-NH2 3.48Å |
| 433 | R | 84.5 | Confident | 84.8 | Confident | 65 Ų | 65 | 44.9 Ų | 44.9 | 25% | 0.245 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 157.2 | 176.8 | 63 | -176.8 | -166.6 | 111.2 | -2.4 | 113.4 | V422 E423 E439 | V422-R433 WeakPolarHBondContact CA-O 3.47Å; E423-R433 HydrophobicContact CB-CG 3.82Å; E423-R433 PolarHBondContact N-O 3.48Å; E423-R433 IonicContact OE2-CZ 3.61Å; E423-R433 IonicContact OE2-NE 3.41Å; E423-R433 PolarHBondContact OE2-NE 3.22Å; E423-R433 IonicContact OE2-NH2 2.78Å; R433-E439 IonicContact CZ-OE1 3.86Å; R433-E439 IonicContact CZ-OE2 2.76Å; R433-E439 IonicContact NH1-OE1 3.18Å; R433-E439 PolarHBondContact NH1-OE1 3.14Å; R433-E439 VanDerWaalsContact NH1-OE1 3.15Å; R433-E439 IonicContact NH1-OE2 2.72Å; R433-E439 PolarHBondContact NH1-OE2 3.06Å; R433-E439 IonicContact NH2-OE1 2.75Å; R433-E439 PolarHBondContact NH2-OE1 2.88Å; R433-E439 IonicContact NH2-OE2 3.15Å |
| 434 | T | 85 | Confident | 84.8 | Confident | 56 Ų | 56 | 45.8 Ų | 45.8 | 34% | 0.344 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 129.1 | 162.1 | -49.2 | 0 | 0 | 0 | 0 | 109.4 | V422 | V422-T434 HydrophobicContact CG1-CG2 4.15Å |
| 435 | L | 91.4 | Very high | 85 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 5% | 0.052 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -75.5 | 147.2 | -179.9 | -76.9 | 74.3 | 0 | 0 | 0 | 111.2 | A398 L421 E423 M441 L444 Y461 | A398-L435 HydrophobicContact CB-CB 4.15Å; A398-L435 HydrophobicContact CB-CD2 4.28Å; L421-L435 HydrophobicContact CD2-CD2 4.15Å; L421-L435 PolarHBondContact O-N 2.97Å; E423-L435 HydrophobicContact CB-CD1 3.91Å; L435-M441 HydrophobicContact CD2-CE 3.95Å; L435-M441 HydrophobicContact CD2-SD 3.47Å; L435-M441 WeakPolarHBondContact CD2-SD 3.28Å; L435-L444 HydrophobicContact CD2-CD2 3.66Å; L435-L444 HydrophobicContact CG-CD2 4.49Å; L435-Y461 HydrophobicContact CD1-CD1 4.42Å; L435-Y461 HydrophobicContact CD1-CE1 4.44Å; L435-Y461 HydrophobicContact CD2-CD1 4.29Å; L435-Y461 HydrophobicContact CD2-CE1 4.05Å |
| 436 | D | 91.8 | Very high | 85.2 | Confident | 88 Ų | 88 | 47.5 Ų | 47.5 | 47% | 0.471 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -73 | 133.9 | 170.1 | -171.6 | -75.3 | 0 | 0 | 0 | 109.4 | A398 S438 E439 | A398-D436 WeakPolarHBondContact CB-O 3.34Å; D436-S438 PolarHBondContact O-N 3.18Å; D436-S438 WeakPolarHBondContact OD1-CB 3.35Å; D436-S438 PolarHBondContact OD1-N 3.03Å; D436-S438 PolarHBondContact OD1-OG 3.29Å; D436-E439 HydrophobicContact CB-CB 4.34Å; D436-E439 WeakPolarHBondContact O-CB 3.44Å; D436-E439 PolarHBondContact O-N 3.18Å |
| 437 | P | 92.1 | Very high | 85.6 | Confident | 80 Ų | 80 | 51.1 Ų | 51.1 | 52% | 0.519 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -25.3 | -179.7 | -26.3 | 35.1 | 0 | 0 | 0 | 114.9 | T397 G399 | T397-P437 WeakPolarHBondContact CB-O 3.16Å; G399-P437 PolarHBondContact N-O 3.22Å |
| 438 | S | 94.9 | Very high | 86.4 | Confident | 88 Ų | 88 | 50.2 Ų | 50.2 | 62% | 0.615 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -6.4 | 178.5 | 68.3 | 0 | 0 | 0 | 0 | 114.2 | D436 V440 | D436-S438 PolarHBondContact O-N 3.18Å; D436-S438 WeakPolarHBondContact OD1-CB 3.35Å; D436-S438 PolarHBondContact OD1-N 3.03Å; D436-S438 PolarHBondContact OD1-OG 3.29Å; S438-V440 PolarHBondContact O-N 2.87Å |
| 439 | E | 94.7 | Very high | 87.2 | Confident | 51 Ų | 51 | 44.3 Ų | 44.3 | 24% | 0.238 | 25% | 0.249 | C | C | . | . | trans | -65.7 | 131.2 | -178.9 | -165 | 173.7 | 162.8 | 0 | 0 | 111 | T397 A398 R433 D436 M441 | T397-E439 CarbonylContact C-O 3.59Å; T397-E439 VanDerWaalsContact CA-O 3.3Å; T397-E439 WeakPolarHBondContact CA-O 3.46Å; A398-E439 PolarHBondContact N-O 3.38Å; R433-E439 IonicContact CZ-OE1 3.86Å; R433-E439 IonicContact CZ-OE2 2.76Å; R433-E439 IonicContact NH1-OE1 3.18Å; R433-E439 PolarHBondContact NH1-OE1 3.14Å; R433-E439 VanDerWaalsContact NH1-OE1 3.15Å; R433-E439 IonicContact NH1-OE2 2.72Å; R433-E439 PolarHBondContact NH1-OE2 3.06Å; R433-E439 IonicContact NH2-OE1 2.75Å; R433-E439 PolarHBondContact NH2-OE1 2.88Å; R433-E439 IonicContact NH2-OE2 3.15Å; D436-E439 HydrophobicContact CB-CB 4.34Å; D436-E439 WeakPolarHBondContact O-CB 3.44Å; D436-E439 PolarHBondContact O-N 3.18Å; E439-M441 PolarHBondContact O-N 2.81Å | ||
| 440 | V | 94.9 | Very high | 88.1 | Confident | 43 Ų | 43 | 48.8 Ų | 48.8 | 26% | 0.261 | 26% | 0.264 | S | S | . | . | B | Isolated β-bridge | trans | -81 | 116.2 | 179.5 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | A394 S438 L442 D443 L444 | A394-V440 WeakPolarHBondContact O-CG1 3.37Å; S438-V440 PolarHBondContact O-N 2.87Å; V440-L442 PolarHBondContact O-N 3.21Å; V440-D443 HydrophobicContact CG1-CB 4.46Å; V440-D443 PolarHBondContact O-N 3.06Å; V440-L444 PolarHBondContact O-N 3.15Å |
| 441 | M | 93.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70 | -33.8 | -169.8 | -70.7 | -61.4 | -63.1 | 0 | 0 | 113.2 | L374 I392 T396 A398 V401 L421 L435 E439 L444 I445 Y461 | L374-M441 HydrophobicContact CD2-CE 3.54Å; I392-M441 HydrophobicContact CD1-CB 4.36Å; I392-M441 HydrophobicContact CG2-CB 3.74Å; T396-M441 PolarHBondContact O-N 3.1Å; A398-M441 HydrophobicContact CB-CG 4.38Å; A398-M441 HydrophobicContact CB-SD 3.87Å; V401-M441 HydrophobicContact CG2-CG 3.88Å; L421-M441 HydrophobicContact CD2-CE 3.96Å; L421-M441 HydrophobicContact CD2-SD 4.18Å; L435-M441 HydrophobicContact CD2-CE 3.95Å; L435-M441 HydrophobicContact CD2-SD 3.47Å; L435-M441 WeakPolarHBondContact CD2-SD 3.28Å; E439-M441 PolarHBondContact O-N 2.81Å; M441-L444 HydrophobicContact CE-CD2 4.24Å; M441-L444 PolarHBondContact O-N 3.31Å; M441-L444 HydrophobicContact SD-CD2 4.22Å; M441-I445 WeakPolarHBondContact O-CB 3.4Å; M441-I445 WeakPolarHBondContact O-CD1 3.49Å; M441-I445 VanDerWaalsContact O-CG1 3.23Å; M441-I445 WeakPolarHBondContact O-CG1 3.33Å; M441-I445 PolarHBondContact O-N 3.27Å; M441-Y461 HydrophobicContact CE-CD1 3.96Å; M441-Y461 HydrophobicContact CE-CE1 3.74Å |
| 442 | L | 91.2 | Very high | 90 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66 | -39.9 | -179.8 | -169.7 | 60.8 | 0 | 0 | 0 | 111.8 | V372 I392 A394 V440 I445 R446 | V372-L442 HydrophobicContact CB-CD1 4.25Å; V372-L442 HydrophobicContact CG2-CD1 3.61Å; I392-L442 HydrophobicContact CG2-CB 4.11Å; A394-L442 HydrophobicContact CB-CD2 4.09Å; V440-L442 PolarHBondContact O-N 3.21Å; L442-I445 PolarHBondContact O-N 3.22Å; L442-R446 WeakPolarHBondContact O-CB 3.34Å; L442-R446 WeakPolarHBondContact O-CG 3.34Å; L442-R446 PolarHBondContact O-N 2.94Å |
| 443 | D | 91.4 | Very high | 90.7 | Very high | 92 Ų | 92 | 44.6 Ų | 44.6 | 49% | 0.492 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.3 | -41.8 | 177.6 | -68.3 | -20.1 | 0 | 0 | 0 | 111.3 | V440 R446 S447 | V440-D443 HydrophobicContact CG1-CB 4.46Å; V440-D443 PolarHBondContact O-N 3.06Å; D443-R446 PolarHBondContact O-N 2.84Å; D443-S447 VanDerWaalsContact O-CB 3.24Å; D443-S447 WeakPolarHBondContact O-CB 3.38Å; D443-S447 PolarHBondContact O-N 2.89Å |
| 444 | L | 91 | Very high | 90.6 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 12% | 0.115 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.1 | -50.8 | 173.1 | 174 | 61.7 | 0 | 0 | 0 | 111.5 | L435 V440 M441 R446 S447 Q448 Y461 | L435-L444 HydrophobicContact CD2-CD2 3.66Å; L435-L444 HydrophobicContact CG-CD2 4.49Å; V440-L444 PolarHBondContact O-N 3.15Å; M441-L444 HydrophobicContact CE-CD2 4.24Å; M441-L444 PolarHBondContact O-N 3.31Å; M441-L444 HydrophobicContact SD-CD2 4.22Å; L444-R446 PolarHBondContact O-N 2.92Å; L444-S447 PolarHBondContact O-N 2.82Å; L444-Q448 HydrophobicContact CD1-CG 4.18Å; L444-Q448 WeakPolarHBondContact O-CG 3.41Å; L444-Q448 PolarHBondContact O-N 3.34Å; L444-Y461 HydrophobicContact CD2-CE1 4.02Å |
| 445 | I | 90 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | -179.3 | -70.3 | 163.4 | 0 | 0 | 0 | 111 | V372 L374 I392 M441 L442 Q448 R449 Y456 | V372-I445 HydrophobicContact CG1-CD1 4.4Å; L374-I445 HydrophobicContact CD1-CD1 4Å; I392-I445 HydrophobicContact CG2-CD1 4.47Å; M441-I445 WeakPolarHBondContact O-CB 3.4Å; M441-I445 WeakPolarHBondContact O-CD1 3.49Å; M441-I445 VanDerWaalsContact O-CG1 3.23Å; M441-I445 WeakPolarHBondContact O-CG1 3.33Å; M441-I445 PolarHBondContact O-N 3.27Å; L442-I445 PolarHBondContact O-N 3.22Å; I445-Q448 PolarHBondContact O-N 2.92Å; I445-R449 WeakPolarHBondContact O-CG 3.42Å; I445-R449 PolarHBondContact O-N 2.94Å; I445-Y456 HydrophobicContact CG2-CE2 3.82Å |
| 446 | R | 89.2 | Confident | 90.4 | Very high | 75 Ų | 75 | 47.7 Ų | 47.7 | 28% | 0.283 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 176.7 | -76.3 | 173.2 | 171.3 | 152.6 | 0.5 | 111.5 | E367 A369 L442 D443 L444 Q448 R449 K450 | E367-R446 PolarHBondContact O-NE 3.49Å; E367-R446 PolarHBondContact O-NH2 2.87Å; E367-R446 VanDerWaalsContact O-NH2 3.13Å; A369-R446 PolarHBondContact O-NH2 3.08Å; L442-R446 WeakPolarHBondContact O-CB 3.34Å; L442-R446 WeakPolarHBondContact O-CG 3.34Å; L442-R446 PolarHBondContact O-N 2.94Å; D443-R446 PolarHBondContact O-N 2.84Å; L444-R446 PolarHBondContact O-N 2.92Å; R446-Q448 VanDerWaalsContact C-N 3.33Å; R446-Q448 PolarHBondContact O-N 3.38Å; R446-R449 PolarHBondContact O-N 2.97Å; R446-K450 WeakPolarHBondContact O-CB 3.41Å; R446-K450 PolarHBondContact O-N 2.92Å |
| 447 | S | 90 | Very high | 90.1 | Very high | 76 Ų | 76 | 45.2 Ų | 45.2 | 53% | 0.531 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.6 | -45.7 | 177 | -179.3 | 0 | 0 | 0 | 0 | 111.6 | D443 L444 K450 A451 | D443-S447 VanDerWaalsContact O-CB 3.24Å; D443-S447 WeakPolarHBondContact O-CB 3.38Å; D443-S447 PolarHBondContact O-N 2.89Å; L444-S447 PolarHBondContact O-N 2.82Å; S447-K450 PolarHBondContact O-N 3.12Å; S447-A451 VanDerWaalsContact O-CB 3.25Å; S447-A451 WeakPolarHBondContact O-CB 3.35Å; S447-A451 PolarHBondContact O-N 2.9Å |
| 448 | Q | 89.6 | Confident | 89.7 | Confident | 15 Ų | 15 | 41.9 Ų | 41.9 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.9 | -46.3 | 177.9 | -72.4 | -170.2 | -5.3 | 0 | 0 | 112.8 | E423 L444 I445 R446 K450 A451 S452 Y456 Y461 | E423-Q448 VanDerWaalsContact CD-NE2 3.26Å; E423-Q448 PolarHBondContact OE1-NE2 3.09Å; E423-Q448 PolarHBondContact OE2-NE2 3.41Å; L444-Q448 HydrophobicContact CD1-CG 4.18Å; L444-Q448 WeakPolarHBondContact O-CG 3.41Å; L444-Q448 PolarHBondContact O-N 3.34Å; I445-Q448 PolarHBondContact O-N 2.92Å; R446-Q448 VanDerWaalsContact C-N 3.33Å; R446-Q448 PolarHBondContact O-N 3.38Å; Q448-K450 VanDerWaalsContact C-N 3.27Å; Q448-K450 PolarHBondContact O-N 3.28Å; Q448-A451 PolarHBondContact O-N 3.4Å; Q448-S452 CarbonylContact O-C 3.5Å; Q448-S452 PolarHBondContact O-N 3.36Å; Q448-S452 VanDerWaalsContact O-O 3.1Å; Q448-Y456 HydrophobicContact CB-CD2 4.29Å; Q448-Y461 PolarHBondContact OE1-OH 2.81Å |
| 449 | R | 89.4 | Confident | 89.4 | Confident | 24 Ų | 24 | 38.3 Ų | 38.3 | 9% | 0.091 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.6 | -39.2 | 177.2 | -76 | 174.5 | 173.8 | 170.2 | -4.5 | 112.1 | Y364 I445 R446 L453 Y456 | Y364-R449 PolarHBondContact OH-NH2 3.32Å; I445-R449 WeakPolarHBondContact O-CG 3.42Å; I445-R449 PolarHBondContact O-N 2.94Å; R446-R449 PolarHBondContact O-N 2.97Å; R449-L453 HydrophobicContact CB-CD2 4.12Å; R449-L453 HydrophobicContact CG-CD2 4.36Å; R449-L453 WeakPolarHBondContact O-CD2 3.32Å; R449-Y456 HydrophobicContact CG-CD1 3.59Å; R449-Y456 HydrophobicContact CG-CD2 3.84Å; R449-Y456 HydrophobicContact CG-CE1 3.87Å; R449-Y456 HydrophobicContact CG-CE2 4.11Å; R449-Y456 HydrophobicContact CG-CG 3.59Å; R449-Y456 VanDerWaalsContact NE-CE1 3.31Å; R449-Y456 PolarHBondContact NE-OH 3.47Å; R449-Y456 PolarHBondContact NH2-OH 3.08Å |
| 450 | K | 88.8 | Confident | 89.2 | Confident | 107 Ų | 107 | 36.1 Ų | 36.1 | 47% | 0.465 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -70.6 | -39.8 | 177.1 | -175.1 | 172.1 | -179.4 | 171.3 | 0 | 112.3 | G285 D286 R363 R446 S447 Q448 | G285-K450 WeakPolarHBondContact CA-O 3.12Å; D286-K450 PolarHBondContact N-O 2.78Å; D286-K450 WeakPolarHBondContact OD2-CE 3.4Å; D286-K450 WeakPolarHBondContact OD2-CG 3.45Å; R363-K450 PolarHBondContact NH1-O 3.43Å; R446-K450 WeakPolarHBondContact O-CB 3.41Å; R446-K450 PolarHBondContact O-N 2.92Å; S447-K450 PolarHBondContact O-N 3.12Å; Q448-K450 VanDerWaalsContact C-N 3.27Å; Q448-K450 PolarHBondContact O-N 3.28Å |
| 451 | A | 90.3 | Very high | 89.1 | Confident | 26 Ų | 26 | 34.4 Ų | 34.4 | 22% | 0.215 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -70.3 | -49.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | G285 D286 S287 S447 Q448 | G285-A451 CarbonylContact C-O 3.5Å; G285-A451 WeakPolarHBondContact CA-O 3.49Å; D286-A451 PolarHBondContact N-O 2.89Å; D286-A451 VanDerWaalsContact N-O 3.13Å; S287-A451 VanDerWaalsContact CB-O 3.31Å; S287-A451 WeakPolarHBondContact CB-O 3.43Å; S287-A451 PolarHBondContact N-O 3.13Å; S287-A451 PolarHBondContact OG-O 3.37Å; S447-A451 VanDerWaalsContact O-CB 3.25Å; S447-A451 WeakPolarHBondContact O-CB 3.35Å; S447-A451 PolarHBondContact O-N 2.9Å; Q448-A451 PolarHBondContact O-N 3.4Å |
| 452 | S | 90.4 | Very high | 88.9 | Confident | 17 Ų | 17 | 34.4 Ų | 34.4 | 12% | 0.119 | 17% | 0.169 | C | C | . | . | trans | -165.3 | 116.1 | 176.3 | 166.2 | 0 | 0 | 0 | 0 | 110.4 | D284 Q448 K454 R455 Y456 | D284-S452 PolarHBondContact OD2-OG 3.24Å; Q448-S452 CarbonylContact O-C 3.5Å; Q448-S452 PolarHBondContact O-N 3.36Å; Q448-S452 VanDerWaalsContact O-O 3.1Å; S452-K454 VanDerWaalsContact C-N 3.27Å; S452-K454 PolarHBondContact O-N 2.68Å; S452-K454 PolarHBondContact OG-N 3.16Å; S452-R455 PolarHBondContact O-N 3.05Å; S452-R455 PolarHBondContact OG-N 3.38Å; S452-Y456 PolarHBondContact O-N 2.99Å | ||
| 453 | L | 89.7 | Confident | 88.8 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.9 | -36.7 | 174.7 | -66.2 | 171.8 | 0 | 0 | 0 | 111.8 | D284 I318 Y325 L362 R449 Y456 L457 | D284-L453 HydrophobicContact CB-CB 4.38Å; D284-L453 WeakPolarHBondContact O-CG 3.39Å; D284-L453 PolarHBondContact O-N 3.35Å; D284-L453 PolarHBondContact OD2-N 2.98Å; I318-L453 HydrophobicContact CD1-CB 3.87Å; I318-L453 HydrophobicContact CD1-CD1 4.27Å; Y325-L453 HydrophobicContact CD1-CD1 4.01Å; Y325-L453 HydrophobicContact CE1-CD1 3.95Å; Y325-L453 HydrophobicContact CE1-CD2 4.2Å; L362-L453 HydrophobicContact CB-CD1 4.16Å; L362-L453 HydrophobicContact CD2-CD1 3.99Å; L362-L453 HydrophobicContact CG-CD1 3.68Å; L362-L453 WeakPolarHBondContact O-CD1 3.33Å; R449-L453 HydrophobicContact CB-CD2 4.12Å; R449-L453 HydrophobicContact CG-CD2 4.36Å; R449-L453 WeakPolarHBondContact O-CD2 3.32Å; L453-Y456 PolarHBondContact O-N 3.05Å; L453-L457 WeakPolarHBondContact O-CB 3.36Å; L453-L457 VanDerWaalsContact O-CG 3.27Å; L453-L457 WeakPolarHBondContact O-CG 3.5Å; L453-L457 PolarHBondContact O-N 2.94Å |
| 454 | K | 82.7 | Confident | 88.4 | Confident | 62 Ų | 62 | 31.5 Ų | 31.5 | 27% | 0.27 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.6 | -48.6 | 174.9 | -177.9 | -173.3 | 171.7 | -168.8 | 0 | 110.6 | E139 D284 S452 L457 S458 | E139-K454 IonicContact OE2-NZ 3.2Å; E139-K454 PolarHBondContact OE2-NZ 3.41Å; D284-K454 WeakPolarHBondContact OD2-CB 3.41Å; D284-K454 PolarHBondContact OD2-N 3.12Å; S452-K454 VanDerWaalsContact C-N 3.27Å; S452-K454 PolarHBondContact O-N 2.68Å; S452-K454 PolarHBondContact OG-N 3.16Å; K454-L457 PolarHBondContact O-N 2.94Å; K454-S458 WeakPolarHBondContact O-CB 3.5Å; K454-S458 PolarHBondContact O-N 2.73Å; K454-S458 PolarHBondContact O-OG 3.04Å; K454-S458 VanDerWaalsContact O-OG 3.11Å |
| 455 | R | 85.2 | Confident | 87.9 | Confident | 105 Ų | 105 | 32.2 Ų | 32.2 | 40% | 0.396 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -58.2 | -52.9 | 177.2 | -175.4 | 174.1 | -177.6 | 150.7 | 2.1 | 109.9 | D432 S452 L457 S458 T459 | D432-R455 IonicContact OD1-NH2 3.1Å; D432-R455 IonicContact OD2-CZ 2.88Å; D432-R455 IonicContact OD2-NH2 2.76Å; D432-R455 PolarHBondContact OD2-NH2 3.48Å; S452-R455 PolarHBondContact O-N 3.05Å; S452-R455 PolarHBondContact OG-N 3.38Å; R455-L457 VanDerWaalsContact C-N 3.33Å; R455-L457 PolarHBondContact O-N 3.45Å; R455-S458 CarbonylContact O-C 3.44Å; R455-S458 WeakPolarHBondContact O-CA 3.45Å; R455-S458 PolarHBondContact O-N 3.28Å; R455-S458 PolarHBondContact O-OG 2.66Å; R455-T459 PolarHBondContact O-N 2.75Å; R455-T459 PolarHBondContact O-OG1 2.8Å; R455-T459 VanDerWaalsContact O-OG1 3.14Å |
| 456 | Y | 87.7 | Confident | 87.3 | Confident | 30 Ų | 30 | 37.5 Ų | 37.5 | 12% | 0.118 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -50.2 | -49.2 | 177.7 | 168.9 | -109.2 | 0 | 0 | 0 | 112.8 | I445 Q448 R449 S452 L453 S458 T459 | I445-Y456 HydrophobicContact CG2-CE2 3.82Å; Q448-Y456 HydrophobicContact CB-CD2 4.29Å; R449-Y456 HydrophobicContact CG-CD1 3.59Å; R449-Y456 HydrophobicContact CG-CD2 3.84Å; R449-Y456 HydrophobicContact CG-CE1 3.87Å; R449-Y456 HydrophobicContact CG-CE2 4.11Å; R449-Y456 HydrophobicContact CG-CG 3.59Å; R449-Y456 VanDerWaalsContact NE-CE1 3.31Å; R449-Y456 PolarHBondContact NE-OH 3.47Å; R449-Y456 PolarHBondContact NH2-OH 3.08Å; S452-Y456 PolarHBondContact O-N 2.99Å; L453-Y456 PolarHBondContact O-N 3.05Å; Y456-S458 VanDerWaalsContact C-N 3.28Å; Y456-S458 PolarHBondContact O-N 2.99Å; Y456-T459 PolarHBondContact O-N 2.88Å |
| 457 | L | 85.3 | Confident | 86.4 | Confident | 35 Ų | 35 | 41 Ų | 41 | 18% | 0.183 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.7 | -20.1 | -178.6 | -67.8 | 168 | 0 | 0 | 0 | 113.8 | Q90 I318 L453 K454 R455 | Q90-L457 PolarHBondContact NE2-O 3.2Å; I318-L457 HydrophobicContact CB-CD1 3.97Å; I318-L457 HydrophobicContact CD1-CD1 3.63Å; I318-L457 HydrophobicContact CG1-CD1 3.44Å; I318-L457 VanDerWaalsContact CG1-CD1 3.44Å; I318-L457 HydrophobicContact CG2-CD1 3.72Å; L453-L457 WeakPolarHBondContact O-CB 3.36Å; L453-L457 VanDerWaalsContact O-CG 3.27Å; L453-L457 WeakPolarHBondContact O-CG 3.5Å; L453-L457 PolarHBondContact O-N 2.94Å; K454-L457 PolarHBondContact O-N 2.94Å; R455-L457 VanDerWaalsContact C-N 3.33Å; R455-L457 PolarHBondContact O-N 3.45Å |
| 458 | S | 83.9 | Confident | 85.4 | Confident | 10 Ų | 10 | 38 Ų | 38 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -94.5 | -6.9 | 174.4 | 71.5 | 0 | 0 | 0 | 0 | 113.8 | L426 K454 R455 Y456 | L426-S458 VanDerWaalsContact CB-O 3.24Å; L426-S458 WeakPolarHBondContact CB-O 3.48Å; L426-S458 VanDerWaalsContact CG-O 3.23Å; L426-S458 WeakPolarHBondContact CG-O 3.47Å; L426-S458 PolarHBondContact N-O 2.84Å; K454-S458 WeakPolarHBondContact O-CB 3.5Å; K454-S458 PolarHBondContact O-N 2.73Å; K454-S458 PolarHBondContact O-OG 3.04Å; K454-S458 VanDerWaalsContact O-OG 3.11Å; R455-S458 CarbonylContact O-C 3.44Å; R455-S458 WeakPolarHBondContact O-CA 3.45Å; R455-S458 PolarHBondContact O-N 3.28Å; R455-S458 PolarHBondContact O-OG 2.66Å; Y456-S458 VanDerWaalsContact C-N 3.28Å; Y456-S458 PolarHBondContact O-N 2.99Å |
| 459 | T | 88.3 | Confident | 84.1 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 8% | 0.08 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 134.2 | 176.9 | -73.9 | 0 | 0 | 0 | 0 | 110.2 | E423 R455 Y456 Y461 | E423-T459 HydrophobicContact CG-CG2 3.37Å; E423-T459 VanDerWaalsContact OE1-CG2 3.3Å; E423-T459 WeakPolarHBondContact OE1-CG2 3.46Å; E423-T459 PolarHBondContact OE1-OG1 2.64Å; R455-T459 PolarHBondContact O-N 2.75Å; R455-T459 PolarHBondContact O-OG1 2.8Å; R455-T459 VanDerWaalsContact O-OG1 3.14Å; Y456-T459 PolarHBondContact O-N 2.88Å; T459-Y461 HydrophobicContact CG2-CE2 3.96Å |
| 460 | R | 90.1 | Very high | 82.9 | Confident | 6 Ų | 6 | 38.1 Ų | 38.1 | 2% | 0.023 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 152.7 | 170.7 | -76.7 | -170 | -176.4 | 175.4 | -0.1 | 112.1 | Q90 I92 Y377 V424 L426 Y462 | Q90-R460 PolarHBondContact O-NH2 3.01Å; Q90-R460 VanDerWaalsContact OE1-NH2 3.08Å; I92-R460 PolarHBondContact O-NH1 3.08Å; Y377-R460 HydrophobicContact CD2-CB 4.24Å; Y377-R460 HydrophobicContact CD2-CG 4.26Å; Y377-R460 HydrophobicContact CE2-CB 4.26Å; Y377-R460 VanDerWaalsContact CE2-CD 3.48Å; Y377-R460 HydrophobicContact CE2-CG 3.81Å; Y377-R460 PolarHBondContact OH-NE 2.94Å; V424-R460 PolarHBondContact N-O 3.1Å; V424-R460 PolarHBondContact O-N 3.18Å; L426-R460 HydrophobicContact CD1-CG 3.96Å; L426-R460 HydrophobicContact CD2-CG 4.26Å; L426-R460 HydrophobicContact CG-CG 4.07Å; R460-Y462 HydrophobicContact CB-CD2 4.07Å; R460-Y462 HydrophobicContact CB-CE2 3.53Å; R460-Y462 HydrophobicContact CG-CE2 4.48Å; R460-Y462 PolarHBondContact NH1-OH 2.93Å |
| 461 | Y | 92.8 | Very high | 81.8 | Confident | 7 Ų | 7 | 34.5 Ų | 34.5 | 3% | 0.027 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 118.4 | 178 | -60.3 | -87.7 | 0 | 0 | 0 | 109 | L374 V376 Y377 L421 V422 E423 L435 M441 L444 Q448 T459 | L374-Y461 HydrophobicContact CD1-CD2 3.57Å; L374-Y461 HydrophobicContact CD1-CE2 3.7Å; L374-Y461 HydrophobicContact CD1-CG 4.44Å; L374-Y461 HydrophobicContact CD2-CD2 4.29Å; L374-Y461 HydrophobicContact CD2-CG 4.37Å; L374-Y461 HydrophobicContact CG-CD2 4.22Å; V376-Y461 WeakPolarHBondContact CA-O 3.47Å; Y377-Y461 PolarHBondContact N-O 2.95Å; L421-Y461 HydrophobicContact CD2-CD1 4.22Å; L421-Y461 HydrophobicContact CG-CD1 4.34Å; V422-Y461 WeakPolarHBondContact O-CA 3.38Å; E423-Y461 HydrophobicContact CG-CE1 4.44Å; L435-Y461 HydrophobicContact CD1-CD1 4.42Å; L435-Y461 HydrophobicContact CD1-CE1 4.44Å; L435-Y461 HydrophobicContact CD2-CD1 4.29Å; L435-Y461 HydrophobicContact CD2-CE1 4.05Å; M441-Y461 HydrophobicContact CE-CD1 3.96Å; M441-Y461 HydrophobicContact CE-CE1 3.74Å; L444-Y461 HydrophobicContact CD2-CE1 4.02Å; Q448-Y461 PolarHBondContact OE1-OH 2.81Å; T459-Y461 HydrophobicContact CG2-CE2 3.96Å |
| 462 | Y | 90 | Very high | 80.6 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 140.6 | 178 | -72.8 | -103.3 | 0 | 0 | 0 | 110.5 | K93 P95 Y377 W380 V422 V424 R460 | K93-Y462 PolarHBondContact O-OH 3.42Å; P95-Y462 WeakPolarHBondContact CD-OH 3.35Å; P95-Y462 HydrophobicContact CG-CE2 4.42Å; Y377-Y462 HydrophobicContact CD1-CE1 4.45Å; Y377-Y462 HydrophobicContact CG-CD1 4.48Å; Y377-Y462 HydrophobicContact CG-CE1 4.07Å; Y377-Y462 CarbonylContact O-C 3.57Å; Y377-Y462 VanDerWaalsContact O-CA 3.31Å; Y377-Y462 WeakPolarHBondContact O-CA 3.47Å; W380-Y462 HydrophobicContact CD2-CD1 4.19Å; W380-Y462 AromaticContact CE3-CD1 3.42Å; W380-Y462 HydrophobicContact CE3-CD1 3.42Å; W380-Y462 VanDerWaalsContact CE3-CD1 3.42Å; W380-Y462 HydrophobicContact CE3-CE1 4.11Å; W380-Y462 AromaticContact CE3-CG 3.68Å; W380-Y462 HydrophobicContact CE3-CG 3.68Å; W380-Y462 HydrophobicContact CH2-CD1 4.14Å; W380-Y462 HydrophobicContact CH2-CD2 4.08Å; W380-Y462 HydrophobicContact CH2-CE1 4.29Å; W380-Y462 HydrophobicContact CH2-CE2 4.18Å; W380-Y462 HydrophobicContact CH2-CG 4.06Å; W380-Y462 AromaticContact CZ3-CD1 3.41Å; W380-Y462 HydrophobicContact CZ3-CD1 3.41Å; W380-Y462 VanDerWaalsContact CZ3-CD1 3.41Å; W380-Y462 AromaticContact CZ3-CD2 3.68Å; W380-Y462 HydrophobicContact CZ3-CD2 3.68Å; W380-Y462 HydrophobicContact CZ3-CE1 4Å; W380-Y462 HydrophobicContact CZ3-CE2 4.19Å; W380-Y462 AromaticContact CZ3-CG 3.25Å; W380-Y462 HydrophobicContact CZ3-CG 3.25Å; V422-Y462 PolarHBondContact N-O 2.83Å; V422-Y462 PolarHBondContact O-N 2.75Å; V424-Y462 HydrophobicContact CB-CD2 3.83Å; V424-Y462 HydrophobicContact CB-CE2 3.86Å; V424-Y462 HydrophobicContact CG1-CE2 4.17Å; V424-Y462 HydrophobicContact CG2-CD2 3.45Å; V424-Y462 VanDerWaalsContact CG2-CD2 3.45Å; V424-Y462 HydrophobicContact CG2-CE2 3.95Å; V424-Y462 HydrophobicContact CG2-CG 4.29Å; R460-Y462 HydrophobicContact CB-CD2 4.07Å; R460-Y462 HydrophobicContact CB-CE2 3.53Å; R460-Y462 HydrophobicContact CG-CE2 4.48Å; R460-Y462 PolarHBondContact NH1-OH 2.93Å |
| 463 | L | 88.7 | Confident | 80.2 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 124 | 164.2 | -169.4 | 67.4 | 0 | 0 | 0 | 108.4 | V376 Y377 L381 V402 A405 I406 F409 M411 Y419 | V376-L463 HydrophobicContact CG1-CB 4.24Å; Y377-L463 PolarHBondContact O-N 3.01Å; L381-L463 HydrophobicContact CD1-CB 4.24Å; L381-L463 HydrophobicContact CD1-CD2 3.97Å; L381-L463 HydrophobicContact CD1-CG 4.12Å; V402-L463 HydrophobicContact CB-CD1 4.33Å; V402-L463 HydrophobicContact CG1-CD1 3.93Å; V402-L463 HydrophobicContact CG2-CD1 4.09Å; A405-L463 HydrophobicContact CB-CD2 4.44Å; I406-L463 HydrophobicContact CG1-CD2 3.87Å; F409-L463 HydrophobicContact CD2-CD2 3.83Å; F409-L463 HydrophobicContact CE2-CB 4.24Å; F409-L463 HydrophobicContact CE2-CD2 4.03Å; M411-L463 HydrophobicContact CE-CD2 3.44Å; M411-L463 VanDerWaalsContact CE-CD2 3.44Å; Y419-L463 HydrophobicContact CD1-CD1 4.36Å; Y419-L463 HydrophobicContact CD1-CD2 4.29Å; Y419-L463 HydrophobicContact CD1-CG 3.93Å; Y419-L463 HydrophobicContact CG-CD1 4.23Å; Y419-L463 HydrophobicContact CG-CG 4.26Å |
| 464 | Q | 83.9 | Confident | 80.1 | Confident | 32 Ų | 32 | 39.7 Ų | 39.7 | 15% | 0.15 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 136.5 | -176.9 | -170.6 | 176.1 | 57.9 | 0 | 0 | 110.3 | Y419 S420 V422 | Y419-Q464 CarbonylContact C-O 3.5Å; Y419-Q464 VanDerWaalsContact CA-O 3.32Å; Y419-Q464 WeakPolarHBondContact CA-O 3.36Å; S420-Q464 PolarHBondContact N-O 3.42Å; S420-Q464 PolarHBondContact O-N 3.5Å; S420-Q464 PolarHBondContact OG-O 2.8Å; V422-Q464 HydrophobicContact CG1-CB 4.21Å; V422-Q464 HydrophobicContact CG2-CB 4.05Å |
| 465 | E | 79.7 | Confident | 80.5 | Confident | 36 Ų | 36 | 37.3 Ų | 37.3 | 17% | 0.168 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 139.4 | 170.5 | -70 | 175.4 | 174.9 | 0 | 0 | 109.8 | R233 L381 T418 Y419 E467 | R233-E465 PolarHBondContact NH1-O 3.21Å; L381-E465 HydrophobicContact CD2-CG 3.94Å; T418-E465 CarbonylContact O-C 3.51Å; Y419-E465 HydrophobicContact CD1-CG 3.97Å; Y419-E465 HydrophobicContact CE1-CB 4.36Å; Y419-E465 HydrophobicContact CE1-CG 3.38Å; E465-E467 VanDerWaalsContact C-N 3.31Å |
| 466 | K | 77.3 | Confident | 80.9 | Confident | 112 Ų | 112 | 32.3 Ų | 32.3 | 49% | 0.487 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -71.6 | -29.8 | 175.7 | -68.7 | -172.2 | -164.2 | 162.2 | 0 | 112.2 | S417 T418 Y419 | S417-K466 WeakPolarHBondContact O-CD 3.43Å; S417-K466 WeakPolarHBondContact O-CE 3.48Å; S417-K466 PolarHBondContact O-NZ 3.32Å; T418-K466 WeakPolarHBondContact O-CB 3.23Å; T418-K466 WeakPolarHBondContact O-CG 3.46Å; T418-K466 PolarHBondContact O-N 2.77Å; Y419-K466 WeakPolarHBondContact O-CE 3.24Å |
| 467 | E | 71.5 | Confident | 81.3 | Confident | 147 Ų | 147 | 31 Ų | 31 | 69% | 0.687 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -76.7 | 136.4 | 175.3 | -164.9 | 173.7 | -177.9 | 0 | 0 | 110.2 | R233 E465 | R233-E467 PolarHBondContact NH1-O 3.46Å; R233-E467 VanDerWaalsContact NH1-O 3.11Å; R233-E467 PolarHBondContact NH2-O 3.4Å; E465-E467 VanDerWaalsContact C-N 3.31Å |
| 468 | D | 68.6 | Low | 81.8 | Confident | 15 Ų | 15 | 29.4 Ų | 29.4 | 8% | 0.08 | 17% | 0.165 | C | C | . | . | trans | -84.8 | 130.1 | -178.7 | -168.5 | -28.9 | 0 | 0 | 0 | 109.8 | R233 H470 G471 | R233-D468 WeakPolarHBondContact CB-OD2 3.37Å; R233-D468 PolarHBondContact N-OD2 3.11Å; D468-H470 PolarHBondContact O-N 3.01Å; D468-H470 WeakPolarHBondContact OD1-CB 3.49Å; D468-H470 PolarHBondContact OD1-N 3.11Å; D468-G471 PolarHBondContact O-N 3.28Å | ||
| 469 | P | 61.6 | Low | 82.3 | Confident | 31 Ų | 31 | 29.3 Ų | 29.3 | 20% | 0.201 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -18.8 | 179.8 | -4.3 | 25.8 | 0 | 0 | 0 | 110 | T230 R233 G471 | T230-P469 WeakPolarHBondContact CG2-O 3.46Å; R233-P469 VanDerWaalsContact CZ-CD 3.46Å; R233-P469 VanDerWaalsContact NE-CD 3.27Å; R233-P469 VanDerWaalsContact NH2-CG 3.3Å; P469-G471 PolarHBondContact O-N 3.08Å |
| 470 | H | 63.7 | Low | 82.6 | Confident | 10 Ų | 10 | 31.5 Ų | 31.5 | 5% | 0.046 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -20.6 | 171.9 | -169.5 | 76.2 | 0 | 0 | 0 | 112.6 | T230 P232 D468 T473 L550 N552 | T230-H470 PolarHBondContact O-ND1 3.24Å; T230-H470 VanDerWaalsContact O-ND1 3.11Å; T230-H470 WeakPolarHBondContact OG1-CA 3.24Å; T230-H470 PolarHBondContact OG1-ND1 3.42Å; P232-H470 VanDerWaalsContact CD-CE1 3.47Å; P232-H470 WeakPolarHBondContact CD-CE1 3.36Å; D468-H470 PolarHBondContact O-N 3.01Å; D468-H470 WeakPolarHBondContact OD1-CB 3.49Å; D468-H470 PolarHBondContact OD1-N 3.11Å; H470-T473 PolarHBondContact CD2-O 2.81Å; H470-T473 VanDerWaalsContact CD2-O 3.31Å; H470-L550 PolarHBondContact CE1-O 3.18Å; H470-N552 PolarHBondContact CE1-N 3.09Å |
| 471 | G | 66.2 | Low | 82.9 | Confident | 30 Ų | 30 | 31.4 Ų | 31.4 | 31% | 0.309 | 18% | 0.175 | S | C | . | . | trans | 110.7 | -179.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | D468 P469 T473 | D468-G471 PolarHBondContact O-N 3.28Å; P469-G471 PolarHBondContact O-N 3.08Å; G471-T473 PolarHBondContact O-N 2.8Å; G471-T473 VanDerWaalsContact O-N 3.1Å | ||
| 472 | S | 65.7 | Low | 83 | Confident | 94 Ų | 94 | 32 Ų | 32 | 66% | 0.657 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -69.6 | -4.6 | -180 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | N523 | S472-N523 CarbonylContact O-C 3.59Å; S472-N523 WeakPolarHBondContact O-CA 3.36Å |
| 473 | T | 81 | Confident | 83.1 | Confident | 57 Ų | 57 | 33.9 Ų | 33.9 | 35% | 0.35 | 20% | 0.196 | S | C | . | . | trans | -137.3 | 139.5 | -172.3 | 66.3 | 0 | 0 | 0 | 0 | 114.5 | H470 G471 T521 F522 N523 | H470-T473 PolarHBondContact CD2-O 2.81Å; H470-T473 VanDerWaalsContact CD2-O 3.31Å; G471-T473 PolarHBondContact O-N 2.8Å; G471-T473 VanDerWaalsContact O-N 3.1Å; T473-T521 VanDerWaalsContact CB-CG2 3.43Å; T473-T521 HydrophobicContact CG2-CG2 3.92Å; T473-F522 CarbonylContact C-O 3.59Å; T473-F522 WeakPolarHBondContact CA-O 3.06Å; T473-N523 WeakPolarHBondContact CG2-OD1 3.44Å | ||
| 474 | V | 87.8 | Confident | 83.3 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.8 | 174.3 | 178.9 | 0 | 0 | 0 | 0 | 109.7 | P232 L476 T521 F522 P525 A528 | P232-V474 HydrophobicContact CB-CB 4.47Å; P232-V474 HydrophobicContact CB-CG1 3.78Å; P232-V474 HydrophobicContact CB-CG2 3.9Å; P232-V474 HydrophobicContact CG-CG1 3.75Å; P232-V474 HydrophobicContact CG-CG2 4.46Å; V474-L476 HydrophobicContact CG1-CD2 4.42Å; V474-T521 CarbonylContact O-C 3.55Å; V474-T521 WeakPolarHBondContact O-CA 3.46Å; V474-F522 PolarHBondContact N-O 2.98Å; V474-F522 PolarHBondContact O-N 3.12Å; V474-P525 HydrophobicContact CG2-CB 4.34Å; V474-P525 HydrophobicContact CG2-CG 4.27Å; V474-A528 HydrophobicContact CB-CB 3.73Å; V474-A528 HydrophobicContact CG1-CB 3.62Å; V474-A528 HydrophobicContact CG2-CB 4.34Å |
| 475 | A | 91.8 | Very high | 83.8 | Confident | 12 Ų | 12 | 39.3 Ų | 39.3 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I519 I520 L550 Y607 | A475-I519 HydrophobicContact CB-CG2 4.07Å; A475-I520 WeakPolarHBondContact CA-O 3.47Å; A475-L550 PolarHBondContact O-N 3.17Å; A475-Y607 HydrophobicContact CB-CE1 4.36Å |
| 476 | L | 94 | Very high | 84.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.9 | 171.1 | -56.3 | -171 | 0 | 0 | 0 | 110 | V474 I519 I520 F522 A531 C532 L548 C549 | V474-L476 HydrophobicContact CG1-CD2 4.42Å; L476-I519 WeakPolarHBondContact O-CA 3.23Å; L476-I520 HydrophobicContact CB-CG1 3.99Å; L476-I520 PolarHBondContact N-O 3.38Å; L476-I520 PolarHBondContact O-N 2.86Å; L476-F522 HydrophobicContact CD1-CD2 4.18Å; L476-F522 HydrophobicContact CD1-CE2 3.51Å; L476-F522 HydrophobicContact CD1-CZ 4.21Å; L476-F522 HydrophobicContact CG-CD2 4.12Å; L476-F522 HydrophobicContact CG-CE2 3.84Å; L476-A531 HydrophobicContact CD1-CB 4.16Å; L476-C532 HydrophobicContact CD1-CB 3.92Å; L476-C532 HydrophobicContact CD2-CB 4.11Å; L476-L548 CarbonylContact C-O 3.59Å; L476-L548 WeakPolarHBondContact CA-O 3.48Å; L476-C549 HydrophobicContact CD2-CB 3.89Å |
| 477 | Y | 95.1 | Very high | 85.5 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 129.4 | 168.1 | 177.1 | -92.9 | 0 | 0 | 0 | 109.7 | S479 C517 I519 V547 L548 G600 L603 A604 | Y477-S479 VanDerWaalsContact CE1-CB 3.46Å; Y477-C517 HydrophobicContact CE2-CB 4.23Å; Y477-C517 PolarHBondContact OH-SG 3.4Å; Y477-C517 VanDerWaalsContact OH-SG 3.34Å; Y477-I519 HydrophobicContact CD2-CD1 3.48Å; Y477-I519 VanDerWaalsContact CD2-CD1 3.48Å; Y477-I519 HydrophobicContact CG-CD1 4.06Å; Y477-V547 CarbonylContact O-C 3.59Å; Y477-V547 VanDerWaalsContact O-CA 3.23Å; Y477-V547 WeakPolarHBondContact O-CA 3.25Å; Y477-L548 HydrophobicContact CD1-CD1 4.09Å; Y477-L548 HydrophobicContact CD1-CG 4.16Å; Y477-L548 PolarHBondContact N-O 3.31Å; Y477-L548 PolarHBondContact O-N 3.1Å; Y477-G600 VanDerWaalsContact CE1-O 3.32Å; Y477-G600 WeakPolarHBondContact CE1-O 3.32Å; Y477-G600 VanDerWaalsContact CZ-O 3.27Å; Y477-G600 PolarHBondContact OH-O 2.96Å; Y477-L603 HydrophobicContact CE2-CB 4.22Å; Y477-A604 HydrophobicContact CD1-CB 3.87Å; Y477-A604 HydrophobicContact CD2-CB 3.83Å; Y477-A604 HydrophobicContact CE1-CB 3.95Å; Y477-A604 HydrophobicContact CE2-CB 3.98Å; Y477-A604 HydrophobicContact CG-CB 3.8Å |
| 478 | I | 96.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 122.8 | -179.8 | -57.5 | 162.8 | 0 | 0 | 0 | 107.8 | L481 L494 C517 L518 I520 L535 L545 V547 | I478-L481 HydrophobicContact CG2-CD1 3.8Å; I478-L481 HydrophobicContact CG2-CG 4.38Å; I478-L494 HydrophobicContact CD1-CD1 4.11Å; I478-L494 HydrophobicContact CD1-CD2 3.7Å; I478-L494 HydrophobicContact CG2-CD2 4.32Å; I478-C517 CarbonylContact O-C 3.44Å; I478-C517 WeakPolarHBondContact O-CA 3.38Å; I478-C517 WeakPolarHBondContact O-CB 3.35Å; I478-L518 HydrophobicContact CB-CD2 4.11Å; I478-L518 HydrophobicContact CG2-CD2 4.41Å; I478-L518 PolarHBondContact N-O 2.83Å; I478-L518 PolarHBondContact O-N 3.42Å; I478-I520 HydrophobicContact CD1-CD1 3.52Å; I478-I520 HydrophobicContact CD1-CG1 3.71Å; I478-I520 HydrophobicContact CD1-CG2 4.42Å; I478-L535 HydrophobicContact CD1-CD1 3.78Å; I478-L535 HydrophobicContact CG1-CD1 4.38Å; I478-L545 HydrophobicContact CG2-CD1 4.22Å; I478-V547 HydrophobicContact CG1-CG1 4.25Å; I478-V547 HydrophobicContact CG1-CG2 4.35Å; I478-V547 HydrophobicContact CG2-CG2 4.37Å |
| 479 | S | 95 | Very high | 88 | Confident | 8 Ų | 8 | 45.5 Ų | 45.5 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 179.5 | 176.9 | 78.1 | 0 | 0 | 0 | 0 | 113.1 | Y477 L481 I546 | Y477-S479 VanDerWaalsContact CE1-CB 3.46Å; S479-L481 VanDerWaalsContact C-N 3.27Å; S479-I546 PolarHBondContact N-O 2.78Å; S479-I546 PolarHBondContact O-N 2.96Å; S479-I546 VanDerWaalsContact O-N 3.1Å; S479-I546 WeakPolarHBondContact OG-CB 3.37Å |
| 480 | N | 94.1 | Very high | 89.6 | Confident | 59 Ų | 59 | 44.1 Ų | 44.1 | 32% | 0.316 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 69.7 | 23.8 | -173.8 | -154.5 | 29.2 | 0 | 0 | 0 | 113.2 | K544 I546 | N480-K544 PolarHBondContact ND2-O 3.34Å; N480-I546 HydrophobicContact CB-CD1 4.48Å; N480-I546 HydrophobicContact CB-CG1 4.4Å |
| 481 | L | 95.3 | Very high | 91.2 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -82.2 | 166.7 | 166.3 | -65.4 | 160.4 | 0 | 0 | 0 | 109.6 | I478 S479 A483 Y490 I493 G516 L518 L545 | I478-L481 HydrophobicContact CG2-CD1 3.8Å; I478-L481 HydrophobicContact CG2-CG 4.38Å; S479-L481 VanDerWaalsContact C-N 3.27Å; L481-A483 PolarHBondContact O-N 3.01Å; L481-Y490 HydrophobicContact CB-CD1 4.29Å; L481-Y490 HydrophobicContact CB-CE1 3.82Å; L481-Y490 HydrophobicContact CD1-CD1 3.92Å; L481-Y490 HydrophobicContact CD1-CE1 4.18Å; L481-I493 HydrophobicContact CD2-CG2 3.88Å; L481-G516 WeakPolarHBondContact CB-O 3.48Å; L481-G516 PolarHBondContact N-O 3.03Å; L481-G516 WeakPolarHBondContact O-CA 3.35Å; L481-L518 HydrophobicContact CD1-CD2 3.38Å; L481-L545 HydrophobicContact CD2-CD1 4.37Å; L481-L545 HydrophobicContact CD2-CD2 3.63Å; L481-L545 HydrophobicContact CG-CD2 3.94Å |
| 482 | P | 95 | Very high | 92.6 | Very high | 20 Ų | 20 | 51.7 Ų | 51.7 | 13% | 0.13 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 139.9 | 172.2 | -18.7 | 29.9 | 0 | 0 | 0 | 111 | L485 Y490 Y540 | P482-L485 HydrophobicContact CB-CD1 3.91Å; P482-L485 HydrophobicContact CB-CG 4.16Å; P482-L485 HydrophobicContact CG-CD1 4.08Å; P482-Y490 VanDerWaalsContact O-CE1 3.3Å; P482-Y490 WeakPolarHBondContact O-CE1 3.34Å; P482-Y490 PolarHBondContact O-OH 3.02Å; P482-Y540 HydrophobicContact CG-CD1 3.88Å; P482-Y540 HydrophobicContact CG-CE1 3.56Å |
| 483 | A | 93.1 | Very high | 94 | Very high | 40 Ų | 40 | 47.7 Ų | 47.7 | 33% | 0.331 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 162.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L481 L485 F513 E514 | L481-A483 PolarHBondContact O-N 3.01Å; A483-L485 PolarHBondContact O-N 3.45Å; A483-L485 VanDerWaalsContact O-N 3.15Å; A483-F513 CarbonylContact C-O 3.52Å; A483-F513 VanDerWaalsContact CA-O 3.3Å; A483-F513 WeakPolarHBondContact CA-O 3.37Å; A483-F513 WeakPolarHBondContact CB-O 3.48Å; A483-E514 WeakPolarHBondContact CB-O 3.06Å |
| 484 | T | 92.5 | Very high | 94.7 | Very high | 113 Ų | 113 | 45 Ų | 45 | 69% | 0.693 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 16.4 | 170.4 | 66.2 | 0 | 0 | 0 | 0 | 116.1 | F513 | T484-F513 PolarHBondContact N-O 2.99Š|
| 485 | L | 94.9 | Very high | 95.1 | Very high | 33 Ų | 33 | 46.3 Ų | 46.3 | 17% | 0.173 | 24% | 0.239 | C | C | . | . | trans | -79.3 | 146.7 | 175 | -58.3 | -176.9 | 0 | 0 | 0 | 111.3 | P482 A483 Q489 Y490 I493 F513 | P482-L485 HydrophobicContact CB-CD1 3.91Å; P482-L485 HydrophobicContact CB-CG 4.16Å; P482-L485 HydrophobicContact CG-CD1 4.08Å; A483-L485 PolarHBondContact O-N 3.45Å; A483-L485 VanDerWaalsContact O-N 3.15Å; L485-Q489 HydrophobicContact CB-CB 4.01Å; L485-Q489 HydrophobicContact CD1-CB 4.49Å; L485-Y490 HydrophobicContact CB-CD1 4.25Å; L485-Y490 HydrophobicContact CB-CD2 4.26Å; L485-Y490 HydrophobicContact CB-CE1 3.86Å; L485-Y490 HydrophobicContact CB-CE2 3.88Å; L485-Y490 HydrophobicContact CB-CG 4.42Å; L485-Y490 HydrophobicContact CD1-CD1 4.15Å; L485-Y490 HydrophobicContact CD1-CE1 3.85Å; L485-Y490 HydrophobicContact CG-CE1 4.16Å; L485-Y490 WeakPolarHBondContact O-CE2 3.25Å; L485-I493 HydrophobicContact CD1-CD1 3.53Å; L485-F513 WeakPolarHBondContact O-CD1 3.34Å; L485-F513 WeakPolarHBondContact O-CE1 3.47Å | ||
| 486 | T | 95.8 | Very high | 95.3 | Very high | 75 Ų | 75 | 54.8 Ų | 54.8 | 46% | 0.46 | 27% | 0.269 | S | S | . | . | trans | -65.4 | 155.9 | 172.5 | 64.1 | 0 | 0 | 0 | 0 | 111.5 | K488 Q489 Y490 | T486-K488 PolarHBondContact O-N 2.94Å; T486-K488 VanDerWaalsContact O-N 3.16Å; T486-Q489 WeakPolarHBondContact O-CA 3.09Å; T486-Q489 WeakPolarHBondContact O-CB 3.24Å; T486-Q489 PolarHBondContact O-N 3.33Å; T486-Q489 WeakPolarHBondContact OG1-CG 3.34Å; T486-Q489 PolarHBondContact OG1-N 3.3Å; T486-Q489 PolarHBondContact OG1-OE1 2.79Å; T486-Y490 PolarHBondContact O-N 3.28Å | ||
| 487 | Q | 95.7 | Very high | 95.4 | Very high | 97 Ų | 97 | 56.1 Ų | 56.1 | 45% | 0.453 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -50.9 | -41.4 | 174.7 | 176.8 | 175.1 | -5.3 | 0 | 0 | 112.8 | Q489 Y490 E491 I508 I511 | Q487-Q489 VanDerWaalsContact C-N 3.3Å; Q487-Q489 PolarHBondContact O-N 2.99Å; Q487-Y490 PolarHBondContact O-N 3.09Å; Q487-E491 WeakPolarHBondContact O-CB 3.41Å; Q487-E491 PolarHBondContact O-N 3.44Å; Q487-I508 HydrophobicContact CG-CD1 4.19Å; Q487-I511 HydrophobicContact CB-CD1 3.6Å; Q487-I511 HydrophobicContact CG-CD1 3.7Å |
| 488 | K | 95.7 | Very high | 95.4 | Very high | 177 Ų | 177 | 56.6 Ų | 56.6 | 77% | 0.77 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.3 | -35.6 | 177.9 | -70.3 | -175.7 | 179.8 | 178 | 0 | 112.5 | T486 K492 | T486-K488 PolarHBondContact O-N 2.94Å; T486-K488 VanDerWaalsContact O-N 3.16Å; K488-K492 WeakPolarHBondContact O-CB 3.35Å; K488-K492 PolarHBondContact O-N 2.9Å |
| 489 | Q | 96.8 | Very high | 95.2 | Very high | 91 Ų | 91 | 64 Ų | 64 | 43% | 0.425 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.4 | -45.8 | 176.7 | -74.6 | 165.8 | -56.1 | 0 | 0 | 111.1 | L485 T486 Q487 E491 K492 I493 | L485-Q489 HydrophobicContact CB-CB 4.01Å; L485-Q489 HydrophobicContact CD1-CB 4.49Å; T486-Q489 WeakPolarHBondContact O-CA 3.09Å; T486-Q489 WeakPolarHBondContact O-CB 3.24Å; T486-Q489 PolarHBondContact O-N 3.33Å; T486-Q489 WeakPolarHBondContact OG1-CG 3.34Å; T486-Q489 PolarHBondContact OG1-N 3.3Å; T486-Q489 PolarHBondContact OG1-OE1 2.79Å; Q487-Q489 VanDerWaalsContact C-N 3.3Å; Q487-Q489 PolarHBondContact O-N 2.99Å; Q489-E491 VanDerWaalsContact C-N 3.32Å; Q489-E491 PolarHBondContact O-N 2.79Å; Q489-K492 PolarHBondContact O-N 3.34Å; Q489-I493 WeakPolarHBondContact O-CG1 3.39Å; Q489-I493 PolarHBondContact O-N 3.02Å |
| 490 | Y | 96.8 | Very high | 95 | Very high | 1 Ų | 1 | 66 Ų | 66 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.1 | -45.9 | 173.4 | -73.7 | -52.7 | 0 | 0 | 0 | 111.6 | L481 P482 L485 T486 Q487 K492 I493 L494 I511 F513 G516 L518 | L481-Y490 HydrophobicContact CB-CD1 4.29Å; L481-Y490 HydrophobicContact CB-CE1 3.82Å; L481-Y490 HydrophobicContact CD1-CD1 3.92Å; L481-Y490 HydrophobicContact CD1-CE1 4.18Å; P482-Y490 VanDerWaalsContact O-CE1 3.3Å; P482-Y490 WeakPolarHBondContact O-CE1 3.34Å; P482-Y490 PolarHBondContact O-OH 3.02Å; L485-Y490 HydrophobicContact CB-CD1 4.25Å; L485-Y490 HydrophobicContact CB-CD2 4.26Å; L485-Y490 HydrophobicContact CB-CE1 3.86Å; L485-Y490 HydrophobicContact CB-CE2 3.88Å; L485-Y490 HydrophobicContact CB-CG 4.42Å; L485-Y490 HydrophobicContact CD1-CD1 4.15Å; L485-Y490 HydrophobicContact CD1-CE1 3.85Å; L485-Y490 HydrophobicContact CG-CE1 4.16Å; L485-Y490 WeakPolarHBondContact O-CE2 3.25Å; T486-Y490 PolarHBondContact O-N 3.28Å; Q487-Y490 PolarHBondContact O-N 3.09Å; Y490-K492 VanDerWaalsContact C-N 3.33Å; Y490-K492 PolarHBondContact O-N 3.49Å; Y490-I493 WeakPolarHBondContact O-CB 3.26Å; Y490-I493 PolarHBondContact O-N 3.37Å; Y490-I493 VanDerWaalsContact O-N 3.13Å; Y490-L494 WeakPolarHBondContact O-CG 3.36Å; Y490-L494 PolarHBondContact O-N 2.77Å; Y490-I511 HydrophobicContact CD2-CG2 3.85Å; Y490-I511 HydrophobicContact CE2-CG2 3.58Å; Y490-F513 HydrophobicContact CE2-CD1 4.07Å; Y490-F513 HydrophobicContact CE2-CE1 4.29Å; Y490-G516 WeakPolarHBondContact OH-CA 3.39Å; Y490-L518 HydrophobicContact CG-CD1 4.28Å |
| 491 | E | 95.8 | Very high | 94.6 | Very high | 39 Ų | 39 | 71 Ų | 71 | 18% | 0.182 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.4 | -46.8 | 176.9 | -174.3 | 178.5 | 129.1 | 0 | 0 | 111.9 | Q487 Q489 I493 L494 L495 K503 F505 I508 | Q487-E491 WeakPolarHBondContact O-CB 3.41Å; Q487-E491 PolarHBondContact O-N 3.44Å; Q489-E491 VanDerWaalsContact C-N 3.32Å; Q489-E491 PolarHBondContact O-N 2.79Å; E491-I493 VanDerWaalsContact C-N 3.32Å; E491-I493 PolarHBondContact O-N 3.11Å; E491-L494 PolarHBondContact O-N 2.81Å; E491-L495 HydrophobicContact CG-CD1 4.23Å; E491-L495 WeakPolarHBondContact O-CG 3.35Å; E491-L495 PolarHBondContact O-N 2.92Å; E491-K503 VanDerWaalsContact CD-CE 3.4Å; E491-K503 WeakPolarHBondContact OE1-CE 3.41Å; E491-K503 IonicContact OE1-NZ 3.06Å; E491-K503 PolarHBondContact OE1-NZ 3.18Å; E491-K503 IonicContact OE2-NZ 3.41Å; E491-K503 PolarHBondContact OE2-NZ 2.73Å; E491-F505 HydrophobicContact CG-CZ 4.31Å; E491-I508 HydrophobicContact CB-CD1 3.92Å; E491-I508 HydrophobicContact CG-CD1 4.15Å |
| 492 | K | 95.5 | Very high | 94.2 | Very high | 160 Ų | 160 | 76 Ų | 76 | 70% | 0.696 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.1 | -39.8 | 177 | -173.5 | 178.3 | -178.9 | 179.5 | 0 | 112.2 | K488 Q489 Y490 R496 | K488-K492 WeakPolarHBondContact O-CB 3.35Å; K488-K492 PolarHBondContact O-N 2.9Å; Q489-K492 PolarHBondContact O-N 3.34Å; Y490-K492 VanDerWaalsContact C-N 3.33Å; Y490-K492 PolarHBondContact O-N 3.49Å; K492-R496 WeakPolarHBondContact O-CB 3.49Å; K492-R496 PolarHBondContact O-N 3.37Å; K492-R496 VanDerWaalsContact O-N 3.1Å |
| 493 | I | 95.8 | Very high | 93.9 | Very high | 10 Ų | 10 | 80.1 Ų | 80.1 | 5% | 0.051 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63 | -48.7 | 175.5 | -66.5 | 165.6 | 0 | 0 | 0 | 109.8 | L481 L485 Q489 Y490 E491 L495 R496 L497 Y540 | L481-I493 HydrophobicContact CD2-CG2 3.88Å; L485-I493 HydrophobicContact CD1-CD1 3.53Å; Q489-I493 WeakPolarHBondContact O-CG1 3.39Å; Q489-I493 PolarHBondContact O-N 3.02Å; Y490-I493 WeakPolarHBondContact O-CB 3.26Å; Y490-I493 PolarHBondContact O-N 3.37Å; Y490-I493 VanDerWaalsContact O-N 3.13Å; E491-I493 VanDerWaalsContact C-N 3.32Å; E491-I493 PolarHBondContact O-N 3.11Å; I493-L495 PolarHBondContact O-N 3.23Å; I493-R496 WeakPolarHBondContact O-CB 3.44Å; I493-R496 PolarHBondContact O-N 3.31Å; I493-L497 HydrophobicContact CG2-CD1 3.82Å; I493-L497 HydrophobicContact CG2-CG 4.23Å; I493-L497 WeakPolarHBondContact O-CG 3.18Å; I493-L497 PolarHBondContact O-N 3.33Å; I493-Y540 HydrophobicContact CB-CE2 4.42Å; I493-Y540 HydrophobicContact CD1-CE1 3.94Å; I493-Y540 HydrophobicContact CD1-CE2 4.21Å; I493-Y540 HydrophobicContact CG1-CE1 4.48Å; I493-Y540 HydrophobicContact CG1-CE2 3.84Å; I493-Y540 HydrophobicContact CG2-CD2 3.71Å; I493-Y540 HydrophobicContact CG2-CE2 3.8Å; I493-Y540 HydrophobicContact CG2-CG 4.14Å |
| 494 | L | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.8 | -44.8 | -179.5 | -67.1 | -177.6 | 0 | 0 | 0 | 112.5 | I478 Y490 E491 R496 L497 L498 F505 L518 I520 L535 | I478-L494 HydrophobicContact CD1-CD1 4.11Å; I478-L494 HydrophobicContact CD1-CD2 3.7Å; I478-L494 HydrophobicContact CG2-CD2 4.32Å; Y490-L494 WeakPolarHBondContact O-CG 3.36Å; Y490-L494 PolarHBondContact O-N 2.77Å; E491-L494 PolarHBondContact O-N 2.81Å; L494-R496 VanDerWaalsContact C-N 3.31Å; L494-R496 PolarHBondContact O-N 2.84Å; L494-L497 PolarHBondContact O-N 3.47Å; L494-L498 VanDerWaalsContact O-CB 3.27Å; L494-L498 WeakPolarHBondContact O-CB 3.29Å; L494-L498 VanDerWaalsContact O-CG 3.25Å; L494-L498 WeakPolarHBondContact O-CG 3.3Å; L494-L498 PolarHBondContact O-N 3.27Å; L494-F505 HydrophobicContact CB-CE1 4.28Å; L494-F505 HydrophobicContact CD1-CE1 4.38Å; L494-L518 HydrophobicContact CD1-CD1 4Å; L494-I520 HydrophobicContact CD1-CD1 4.45Å; L494-I520 HydrophobicContact CD1-CG2 3.73Å; L494-L535 HydrophobicContact CD2-CD2 4.49Å |
| 495 | L | 95.8 | Very high | 93.6 | Very high | 29 Ų | 29 | 75.7 Ų | 75.7 | 15% | 0.152 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 176.4 | -70.6 | 177.4 | 0 | 0 | 0 | 111.8 | E491 I493 L498 Q499 T500 K503 | E491-L495 HydrophobicContact CG-CD1 4.23Å; E491-L495 WeakPolarHBondContact O-CG 3.35Å; E491-L495 PolarHBondContact O-N 2.92Å; I493-L495 PolarHBondContact O-N 3.23Å; L495-L498 PolarHBondContact O-N 3.19Å; L495-Q499 PolarHBondContact O-N 2.91Å; L495-T500 WeakPolarHBondContact CB-O 3.44Å; L495-T500 HydrophobicContact CD2-CG2 4.16Å; L495-T500 PolarHBondContact O-N 3.23Å; L495-T500 VanDerWaalsContact O-N 3.09Å; L495-K503 HydrophobicContact CD2-CG 4.39Å |
| 496 | R | 95.5 | Very high | 93.5 | Very high | 191 Ų | 191 | 76.9 Ų | 76.9 | 72% | 0.721 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.4 | -47.3 | 175.4 | -175.9 | 179.2 | -178.6 | 176.9 | -0.1 | 112.1 | K492 I493 L494 L498 Q499 | K492-R496 WeakPolarHBondContact O-CB 3.49Å; K492-R496 PolarHBondContact O-N 3.37Å; K492-R496 VanDerWaalsContact O-N 3.1Å; I493-R496 WeakPolarHBondContact O-CB 3.44Å; I493-R496 PolarHBondContact O-N 3.31Å; L494-R496 VanDerWaalsContact C-N 3.31Å; L494-R496 PolarHBondContact O-N 2.84Å; R496-L498 VanDerWaalsContact C-N 3.35Å; R496-Q499 PolarHBondContact O-N 3.41Å; R496-Q499 VanDerWaalsContact O-N 3.12Å |
| 497 | L | 95.8 | Very high | 93.3 | Very high | 28 Ų | 28 | 75.9 Ų | 75.9 | 15% | 0.147 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.1 | -35.5 | -180 | -66.6 | 178.4 | 0 | 0 | 0 | 112 | I493 L494 Q499 K534 L535 A538 L545 | I493-L497 HydrophobicContact CG2-CD1 3.82Å; I493-L497 HydrophobicContact CG2-CG 4.23Å; I493-L497 WeakPolarHBondContact O-CG 3.18Å; I493-L497 PolarHBondContact O-N 3.33Å; L494-L497 PolarHBondContact O-N 3.47Å; L497-Q499 PolarHBondContact O-N 3.1Å; L497-K534 VanDerWaalsContact O-CE 3.28Å; L497-K534 WeakPolarHBondContact O-CE 3.48Å; L497-L535 HydrophobicContact CB-CD2 3.73Å; L497-L535 HydrophobicContact CD1-CD2 4.27Å; L497-A538 HydrophobicContact CD1-CB 4.34Å; L497-A538 HydrophobicContact CD2-CB 4.27Å; L497-L545 HydrophobicContact CD1-CD1 3.54Å |
| 498 | L | 94.8 | Very high | 93.2 | Very high | 14 Ų | 14 | 72.6 Ų | 72.6 | 7% | 0.073 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -76 | -9.7 | 173.4 | -67.7 | 170.8 | 0 | 0 | 0 | 112.9 | L494 L495 R496 T500 P504 F505 A531 K534 L535 | L494-L498 VanDerWaalsContact O-CB 3.27Å; L494-L498 WeakPolarHBondContact O-CB 3.29Å; L494-L498 VanDerWaalsContact O-CG 3.25Å; L494-L498 WeakPolarHBondContact O-CG 3.3Å; L494-L498 PolarHBondContact O-N 3.27Å; L495-L498 PolarHBondContact O-N 3.19Å; R496-L498 VanDerWaalsContact C-N 3.35Å; L498-T500 HydrophobicContact CB-CG2 3.92Å; L498-P504 HydrophobicContact CD1-CG 3.59Å; L498-F505 HydrophobicContact CD1-CD1 4.38Å; L498-F505 HydrophobicContact CD1-CE1 4.35Å; L498-A531 HydrophobicContact CD2-CB 3.8Å; L498-K534 HydrophobicContact CD2-CD 4.43Å; L498-K534 WeakPolarHBondContact O-CE 3.39Å; L498-K534 PolarHBondContact O-NZ 3.18Å; L498-L535 HydrophobicContact CD2-CD1 3.99Å; L498-L535 HydrophobicContact CD2-CD2 4.02Å; L498-L535 HydrophobicContact CD2-CG 3.72Å; L498-L535 HydrophobicContact CG-CD1 4.38Å; L498-L535 HydrophobicContact CG-CD2 4.09Å; L498-L535 HydrophobicContact CG-CG 4.27Å |
| 499 | Q | 92.8 | Very high | 93 | Very high | 156 Ų | 156 | 65.6 Ų | 65.6 | 73% | 0.729 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 52 | -178 | -53.5 | 163.1 | -7.7 | 0 | 0 | 111.6 | L495 R496 L497 | L495-Q499 PolarHBondContact O-N 2.91Å; R496-Q499 PolarHBondContact O-N 3.41Å; R496-Q499 VanDerWaalsContact O-N 3.12Å; L497-Q499 PolarHBondContact O-N 3.1Å |
| 500 | T | 90.8 | Very high | 92.8 | Very high | 48 Ų | 48 | 62.6 Ų | 62.6 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | trans | -144.6 | 142.3 | 178.1 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | L495 L498 V502 P504 | L495-T500 WeakPolarHBondContact CB-O 3.44Å; L495-T500 HydrophobicContact CD2-CG2 4.16Å; L495-T500 PolarHBondContact O-N 3.23Å; L495-T500 VanDerWaalsContact O-N 3.09Å; L498-T500 HydrophobicContact CB-CG2 3.92Å; T500-V502 VanDerWaalsContact CG2-O 3.27Å; T500-V502 WeakPolarHBondContact CG2-O 3.23Å; T500-V502 PolarHBondContact OG1-N 3.42Å; T500-V502 PolarHBondContact OG1-O 3.49Å; T500-P504 HydrophobicContact CG2-CG 4.04Å | ||
| 501 | D | 85.6 | Confident | 92.7 | Very high | 164 Ų | 164 | 63.8 Ų | 63.8 | 88% | 0.877 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -87.9 | -11.9 | 176.1 | -58.7 | -47.3 | 0 | 0 | 0 | 112.4 | ||
| 502 | V | 88.1 | Confident | 92.7 | Very high | 109 Ų | 109 | 62.4 Ų | 62.4 | 66% | 0.661 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -110.7 | 136.7 | -179.3 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | T500 P504 | T500-V502 VanDerWaalsContact CG2-O 3.27Å; T500-V502 WeakPolarHBondContact CG2-O 3.23Å; T500-V502 PolarHBondContact OG1-N 3.42Å; T500-V502 PolarHBondContact OG1-O 3.49Å; V502-P504 WeakPolarHBondContact O-CD 3.5Å; V502-P504 VanDerWaalsContact O-N 3.12Å |
| 503 | K | 87 | Confident | 92.6 | Very high | 107 Ų | 107 | 59.2 Ų | 59.2 | 47% | 0.465 | 31% | 0.311 | S | S | . | . | trans | -59.8 | 115.1 | 178.3 | -60.8 | -173.2 | -168.4 | -158.7 | 0 | 110.4 | E491 L495 F505 | E491-K503 VanDerWaalsContact CD-CE 3.4Å; E491-K503 WeakPolarHBondContact OE1-CE 3.41Å; E491-K503 IonicContact OE1-NZ 3.06Å; E491-K503 PolarHBondContact OE1-NZ 3.18Å; E491-K503 IonicContact OE2-NZ 3.41Å; E491-K503 PolarHBondContact OE2-NZ 2.73Å; L495-K503 HydrophobicContact CD2-CG 4.39Å; K503-F505 VanDerWaalsContact C-N 3.34Å; K503-F505 HydrophobicContact CB-CE2 4.43Å; K503-F505 HydrophobicContact CD-CE2 4.22Å; K503-F505 HydrophobicContact CG-CE2 4.41Å | ||
| 504 | P | 87.7 | Confident | 92.3 | Very high | 52 Ų | 52 | 65 Ų | 65 | 34% | 0.338 | 34% | 0.338 | S | S | . | . | trans | -82.9 | -17.3 | 175.3 | 33.8 | -32.5 | 0 | 0 | 0 | 112 | L498 T500 V502 F522 | L498-P504 HydrophobicContact CD1-CG 3.59Å; T500-P504 HydrophobicContact CG2-CG 4.04Å; V502-P504 WeakPolarHBondContact O-CD 3.5Å; V502-P504 VanDerWaalsContact O-N 3.12Å; P504-F522 HydrophobicContact CB-CE1 4.17Å; P504-F522 HydrophobicContact CG-CE1 4.32Å; P504-F522 WeakPolarHBondContact O-CD1 3.33Å; P504-F522 WeakPolarHBondContact O-CE1 3.13Å | ||
| 505 | F | 92.5 | Very high | 92.1 | Very high | 9 Ų | 9 | 68.2 Ų | 68.2 | 4% | 0.039 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -95.6 | 149.9 | 174.9 | 48.1 | -96.5 | 0 | 0 | 0 | 110.8 | E491 L494 L498 K503 I508 I520 T521 F522 | E491-F505 HydrophobicContact CG-CZ 4.31Å; L494-F505 HydrophobicContact CB-CE1 4.28Å; L494-F505 HydrophobicContact CD1-CE1 4.38Å; L498-F505 HydrophobicContact CD1-CD1 4.38Å; L498-F505 HydrophobicContact CD1-CE1 4.35Å; K503-F505 VanDerWaalsContact C-N 3.34Å; K503-F505 HydrophobicContact CB-CE2 4.43Å; K503-F505 HydrophobicContact CD-CE2 4.22Å; K503-F505 HydrophobicContact CG-CE2 4.41Å; F505-I508 HydrophobicContact CD2-CG1 4.17Å; F505-I508 HydrophobicContact CE2-CD1 3.97Å; F505-I508 HydrophobicContact CE2-CG1 3.62Å; F505-I508 HydrophobicContact CZ-CD1 4.37Å; F505-I508 HydrophobicContact CZ-CG1 4.36Å; F505-I520 HydrophobicContact CB-CB 4.2Å; F505-I520 HydrophobicContact CB-CD1 4.32Å; F505-I520 HydrophobicContact CD1-CD1 3.82Å; F505-I520 HydrophobicContact CD2-CG2 4.48Å; F505-I520 HydrophobicContact CE1-CD1 4.48Å; F505-I520 HydrophobicContact CG-CB 4.18Å; F505-I520 HydrophobicContact CG-CD1 4.23Å; F505-I520 HydrophobicContact CG-CG2 4.43Å; F505-T521 CarbonylContact C-O 3.53Å; F505-T521 WeakPolarHBondContact CA-O 3.46Å; F505-T521 VanDerWaalsContact CB-O 3.31Å; F505-T521 WeakPolarHBondContact CB-O 3.45Å; F505-F522 HydrophobicContact CB-CD1 4.11Å; F505-F522 HydrophobicContact CB-CD2 4.29Å; F505-F522 HydrophobicContact CB-CE1 3.84Å; F505-F522 HydrophobicContact CB-CE2 4.02Å; F505-F522 HydrophobicContact CB-CG 4.32Å; F505-F522 HydrophobicContact CB-CZ 3.78Å; F505-F522 HydrophobicContact CD1-CZ 4.37Å |
| 506 | S | 91.8 | Very high | 92 | Very high | 58 Ų | 58 | 66.8 Ų | 66.8 | 41% | 0.406 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -80.6 | -33.6 | -178.7 | 57.9 | 0 | 0 | 0 | 0 | 113.1 | T521 N523 | S506-T521 PolarHBondContact N-O 3.29Å; S506-T521 PolarHBondContact OG-O 3.46Å; S506-N523 VanDerWaalsContact CB-CG 3.46Å; S506-N523 WeakPolarHBondContact CB-OD1 2.86Å; S506-N523 PolarHBondContact OG-OD1 3.14Å |
| 507 | S | 93.1 | Very high | 92 | Very high | 54 Ų | 54 | 57.8 Ų | 57.8 | 38% | 0.378 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 156.7 | 178.3 | 56.7 | 0 | 0 | 0 | 0 | 112.4 | I520 T521 | S507-I520 WeakPolarHBondContact O-CA 3.17Å; S507-T521 PolarHBondContact N-O 2.91Å; S507-T521 PolarHBondContact O-N 3.1Å; S507-T521 WeakPolarHBondContact OG-CB 3.31Å |
| 508 | I | 93.5 | Very high | 92.1 | Very high | 28 Ų | 28 | 56.4 Ų | 56.4 | 14% | 0.144 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 119.3 | 164 | -59.9 | 175.6 | 0 | 0 | 0 | 105.8 | Q487 E491 F505 I511 L518 I520 | Q487-I508 HydrophobicContact CG-CD1 4.19Å; E491-I508 HydrophobicContact CB-CD1 3.92Å; E491-I508 HydrophobicContact CG-CD1 4.15Å; F505-I508 HydrophobicContact CD2-CG1 4.17Å; F505-I508 HydrophobicContact CE2-CD1 3.97Å; F505-I508 HydrophobicContact CE2-CG1 3.62Å; F505-I508 HydrophobicContact CZ-CD1 4.37Å; F505-I508 HydrophobicContact CZ-CG1 4.36Å; I508-I511 HydrophobicContact CG2-CD1 3.96Å; I508-I511 HydrophobicContact CG2-CG1 3.97Å; I508-L518 HydrophobicContact CG2-CD1 3.87Å; I508-I520 HydrophobicContact CG1-CG2 4.11Å |
| 509 | G | 91.2 | Very high | 92.1 | Very high | 29 Ų | 29 | 55.8 Ų | 55.8 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -146.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | I511 I519 | G509-I511 PolarHBondContact O-N 2.87Å; G509-I519 PolarHBondContact N-O 2.81Å |
| 510 | P | 92.6 | Very high | 92.3 | Very high | 29 Ų | 29 | 48.3 Ų | 48.3 | 19% | 0.188 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 138.4 | 177.5 | -27.9 | 36.4 | 0 | 0 | 0 | 112.6 | Y512 L518 I519 Y607 E639 | P510-Y512 HydrophobicContact CB-CE1 4.27Å; P510-Y512 HydrophobicContact CB-CE2 4.38Å; P510-L518 WeakPolarHBondContact O-CA 3.46Å; P510-I519 PolarHBondContact O-N 3.04Å; P510-Y607 HydrophobicContact CG-CD2 4.41Å; P510-Y607 HydrophobicContact CG-CE2 4.09Å; P510-E639 WeakPolarHBondContact CB-OE1 3.37Å; P510-E639 WeakPolarHBondContact CG-OE2 3.26Å |
| 511 | I | 95.2 | Very high | 92.4 | Very high | 26 Ų | 26 | 46.9 Ų | 46.9 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 118.2 | 173.3 | -59.6 | 163.9 | 0 | 0 | 0 | 107.4 | Q487 Y490 I508 G509 F513 L518 | Q487-I511 HydrophobicContact CB-CD1 3.6Å; Q487-I511 HydrophobicContact CG-CD1 3.7Å; Y490-I511 HydrophobicContact CD2-CG2 3.85Å; Y490-I511 HydrophobicContact CE2-CG2 3.58Å; I508-I511 HydrophobicContact CG2-CD1 3.96Å; I508-I511 HydrophobicContact CG2-CG1 3.97Å; G509-I511 PolarHBondContact O-N 2.87Å; I511-F513 HydrophobicContact CB-CD2 4.46Å; I511-F513 HydrophobicContact CB-CE1 4.15Å; I511-F513 HydrophobicContact CB-CE2 4.01Å; I511-F513 HydrophobicContact CB-CZ 3.85Å; I511-F513 HydrophobicContact CD1-CE1 4.37Å; I511-F513 HydrophobicContact CD1-CZ 4.09Å; I511-F513 HydrophobicContact CG2-CD1 3.62Å; I511-F513 HydrophobicContact CG2-CD2 4.16Å; I511-F513 HydrophobicContact CG2-CE1 3.48Å; I511-F513 VanDerWaalsContact CG2-CE1 3.48Å; I511-F513 HydrophobicContact CG2-CE2 4.04Å; I511-F513 HydrophobicContact CG2-CG 3.96Å; I511-F513 HydrophobicContact CG2-CZ 3.71Å; I511-F513 WeakPolarHBondContact O-CD2 3.4Å; I511-F513 PolarHBondContact O-N 3.45Å; I511-L518 HydrophobicContact CB-CB 4.33Å; I511-L518 HydrophobicContact CG1-CB 3.84Å; I511-L518 HydrophobicContact CG1-CD1 4.41Å; I511-L518 HydrophobicContact CG2-CB 4.35Å |
| 512 | Y | 94.9 | Very high | 92.6 | Very high | 10 Ų | 10 | 39 Ų | 39 | 4% | 0.039 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 81.9 | 174.6 | -51.4 | -66.9 | 0 | 0 | 0 | 108.2 | P510 E514 Y515 G516 C517 L603 V635 V636 E639 | P510-Y512 HydrophobicContact CB-CE1 4.27Å; P510-Y512 HydrophobicContact CB-CE2 4.38Å; Y512-E514 VanDerWaalsContact C-N 3.31Å; Y512-E514 PolarHBondContact O-N 2.76Å; Y512-Y515 PolarHBondContact O-N 2.73Å; Y512-G516 PolarHBondContact O-N 3.24Å; Y512-G516 VanDerWaalsContact O-N 3.13Å; Y512-C517 PolarHBondContact N-O 3.49Å; Y512-C517 PolarHBondContact O-N 2.84Å; Y512-L603 HydrophobicContact CD1-CD1 4.36Å; Y512-L603 HydrophobicContact CD1-CD2 4.13Å; Y512-L603 HydrophobicContact CD2-CB 4.13Å; Y512-L603 HydrophobicContact CD2-CD1 3.82Å; Y512-L603 HydrophobicContact CD2-CD2 4.43Å; Y512-L603 HydrophobicContact CD2-CG 4.35Å; Y512-L603 HydrophobicContact CE1-CD2 4.21Å; Y512-L603 HydrophobicContact CE2-CB 4.09Å; Y512-L603 HydrophobicContact CE2-CD2 4.47Å; Y512-L603 HydrophobicContact CG-CD1 3.71Å; Y512-L603 HydrophobicContact CG-CD2 4.25Å; Y512-L603 HydrophobicContact CG-CG 4.44Å; Y512-V635 HydrophobicContact CD1-CG1 3.72Å; Y512-V635 HydrophobicContact CE1-CG1 4.24Å; Y512-V636 HydrophobicContact CE1-CG1 3.81Å; Y512-E639 PolarHBondContact OH-OE2 3.15Å |
| 513 | F | 93.2 | Very high | 92.5 | Very high | 92 Ų | 92 | 39 Ų | 39 | 40% | 0.404 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -52.8 | -45.1 | -172.1 | -66.6 | -76.8 | 0 | 0 | 0 | 112.9 | A483 T484 L485 Y490 I511 Y515 G516 | A483-F513 CarbonylContact C-O 3.52Å; A483-F513 VanDerWaalsContact CA-O 3.3Å; A483-F513 WeakPolarHBondContact CA-O 3.37Å; A483-F513 WeakPolarHBondContact CB-O 3.48Å; T484-F513 PolarHBondContact N-O 2.99Å; L485-F513 WeakPolarHBondContact O-CD1 3.34Å; L485-F513 WeakPolarHBondContact O-CE1 3.47Å; Y490-F513 HydrophobicContact CE2-CD1 4.07Å; Y490-F513 HydrophobicContact CE2-CE1 4.29Å; I511-F513 HydrophobicContact CB-CD2 4.46Å; I511-F513 HydrophobicContact CB-CE1 4.15Å; I511-F513 HydrophobicContact CB-CE2 4.01Å; I511-F513 HydrophobicContact CB-CZ 3.85Å; I511-F513 HydrophobicContact CD1-CE1 4.37Å; I511-F513 HydrophobicContact CD1-CZ 4.09Å; I511-F513 HydrophobicContact CG2-CD1 3.62Å; I511-F513 HydrophobicContact CG2-CD2 4.16Å; I511-F513 HydrophobicContact CG2-CE1 3.48Å; I511-F513 VanDerWaalsContact CG2-CE1 3.48Å; I511-F513 HydrophobicContact CG2-CE2 4.04Å; I511-F513 HydrophobicContact CG2-CG 3.96Å; I511-F513 HydrophobicContact CG2-CZ 3.71Å; I511-F513 WeakPolarHBondContact O-CD2 3.4Å; I511-F513 PolarHBondContact O-N 3.45Å; F513-Y515 PolarHBondContact O-N 2.76Å; F513-G516 PolarHBondContact O-N 3.43Å |
| 514 | E | 90.4 | Very high | 92.2 | Very high | 131 Ų | 131 | 36.3 Ų | 36.3 | 61% | 0.612 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -61.7 | -25.6 | -179.4 | -63.3 | 179.4 | 176.7 | 0 | 0 | 113.4 | A483 Y512 | A483-E514 WeakPolarHBondContact CB-O 3.06Å; Y512-E514 VanDerWaalsContact C-N 3.31Å; Y512-E514 PolarHBondContact O-N 2.76Å |
| 515 | Y | 92.2 | Very high | 91.7 | Very high | 68 Ų | 68 | 35.7 Ų | 35.7 | 27% | 0.267 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -102.9 | -6.7 | -176.4 | -67.5 | -85.3 | 0 | 0 | 0 | 113.4 | Y512 F513 L603 W628 V635 | Y512-Y515 PolarHBondContact O-N 2.73Å; F513-Y515 PolarHBondContact O-N 2.76Å; Y515-L603 HydrophobicContact CD1-CD1 4.27Å; Y515-L603 HydrophobicContact CD2-CD1 3.61Å; Y515-L603 HydrophobicContact CE2-CD1 4.17Å; Y515-L603 HydrophobicContact CG-CD1 3.65Å; Y515-W628 AromaticContact CE1-NE1 3.43Å; Y515-V635 HydrophobicContact CE2-CG2 4.36Å |
| 516 | G | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 47.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L481 Y490 Y512 F513 | L481-G516 WeakPolarHBondContact CB-O 3.48Å; L481-G516 PolarHBondContact N-O 3.03Å; L481-G516 WeakPolarHBondContact O-CA 3.35Å; Y490-G516 WeakPolarHBondContact OH-CA 3.39Å; Y512-G516 PolarHBondContact O-N 3.24Å; Y512-G516 VanDerWaalsContact O-N 3.13Å; F513-G516 PolarHBondContact O-N 3.43Å |
| 517 | C | 95.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 155.5 | 178.6 | 63.8 | 0 | 0 | 0 | 0 | 112.6 | Y477 I478 Y512 | Y477-C517 HydrophobicContact CE2-CB 4.23Å; Y477-C517 PolarHBondContact OH-SG 3.4Å; Y477-C517 VanDerWaalsContact OH-SG 3.34Å; I478-C517 CarbonylContact O-C 3.44Å; I478-C517 WeakPolarHBondContact O-CA 3.38Å; I478-C517 WeakPolarHBondContact O-CB 3.35Å; Y512-C517 PolarHBondContact N-O 3.49Å; Y512-C517 PolarHBondContact O-N 2.84Å |
| 518 | L | 96.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 161 | -175.8 | 69.9 | 172.3 | 0 | 0 | 0 | 111.8 | I478 L481 Y490 L494 I508 P510 I511 I520 | I478-L518 HydrophobicContact CB-CD2 4.11Å; I478-L518 HydrophobicContact CG2-CD2 4.41Å; I478-L518 PolarHBondContact N-O 2.83Å; I478-L518 PolarHBondContact O-N 3.42Å; L481-L518 HydrophobicContact CD1-CD2 3.38Å; Y490-L518 HydrophobicContact CG-CD1 4.28Å; L494-L518 HydrophobicContact CD1-CD1 4Å; I508-L518 HydrophobicContact CG2-CD1 3.87Å; P510-L518 WeakPolarHBondContact O-CA 3.46Å; I511-L518 HydrophobicContact CB-CB 4.33Å; I511-L518 HydrophobicContact CG1-CB 3.84Å; I511-L518 HydrophobicContact CG1-CD1 4.41Å; I511-L518 HydrophobicContact CG2-CB 4.35Å; L518-I520 HydrophobicContact CD1-CG2 4.43Å |
| 519 | I | 95.4 | Very high | 90 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 135.3 | 170.1 | -55.6 | -63.1 | 0 | 0 | 0 | 109.8 | A475 L476 Y477 G509 P510 L550 Y607 | A475-I519 HydrophobicContact CB-CG2 4.07Å; L476-I519 WeakPolarHBondContact O-CA 3.23Å; Y477-I519 HydrophobicContact CD2-CD1 3.48Å; Y477-I519 VanDerWaalsContact CD2-CD1 3.48Å; Y477-I519 HydrophobicContact CG-CD1 4.06Å; G509-I519 PolarHBondContact N-O 2.81Å; P510-I519 PolarHBondContact O-N 3.04Å; I519-L550 HydrophobicContact CD1-CD1 3.82Å; I519-Y607 HydrophobicContact CB-CE2 4.45Å; I519-Y607 HydrophobicContact CD1-CD1 4.28Å; I519-Y607 HydrophobicContact CD1-CD2 4.36Å; I519-Y607 HydrophobicContact CD1-CE1 4.4Å; I519-Y607 HydrophobicContact CD1-CG 4.24Å; I519-Y607 HydrophobicContact CG1-CD2 3.88Å; I519-Y607 HydrophobicContact CG1-CE1 4.42Å; I519-Y607 HydrophobicContact CG1-CE2 3.78Å; I519-Y607 HydrophobicContact CG1-CG 4.27Å; I519-Y607 HydrophobicContact CG2-CE1 4.39Å; I519-Y607 HydrophobicContact CG2-CE2 4.4Å |
| 520 | I | 95.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 146.2 | 164.3 | 61.7 | 171.5 | 0 | 0 | 0 | 110.4 | A475 L476 I478 L494 F505 S507 I508 L518 F522 | A475-I520 WeakPolarHBondContact CA-O 3.47Å; L476-I520 HydrophobicContact CB-CG1 3.99Å; L476-I520 PolarHBondContact N-O 3.38Å; L476-I520 PolarHBondContact O-N 2.86Å; I478-I520 HydrophobicContact CD1-CD1 3.52Å; I478-I520 HydrophobicContact CD1-CG1 3.71Å; I478-I520 HydrophobicContact CD1-CG2 4.42Å; L494-I520 HydrophobicContact CD1-CD1 4.45Å; L494-I520 HydrophobicContact CD1-CG2 3.73Å; F505-I520 HydrophobicContact CB-CB 4.2Å; F505-I520 HydrophobicContact CB-CD1 4.32Å; F505-I520 HydrophobicContact CD1-CD1 3.82Å; F505-I520 HydrophobicContact CD2-CG2 4.48Å; F505-I520 HydrophobicContact CE1-CD1 4.48Å; F505-I520 HydrophobicContact CG-CB 4.18Å; F505-I520 HydrophobicContact CG-CD1 4.23Å; F505-I520 HydrophobicContact CG-CG2 4.43Å; S507-I520 WeakPolarHBondContact O-CA 3.17Å; I508-I520 HydrophobicContact CG1-CG2 4.11Å; L518-I520 HydrophobicContact CD1-CG2 4.43Å; I520-F522 HydrophobicContact CD1-CE2 3.47Å; I520-F522 VanDerWaalsContact CD1-CE2 3.47Å; I520-F522 HydrophobicContact CD1-CZ 3.66Å; I520-F522 HydrophobicContact CG1-CE2 3.74Å; I520-F522 HydrophobicContact CG1-CZ 4.41Å |
| 521 | T | 93.4 | Very high | 89.8 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 10% | 0.104 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 139.1 | -175.2 | -56.2 | 0 | 0 | 0 | 0 | 109.9 | T473 V474 F505 S506 S507 | T473-T521 VanDerWaalsContact CB-CG2 3.43Å; T473-T521 HydrophobicContact CG2-CG2 3.92Å; V474-T521 CarbonylContact O-C 3.55Å; V474-T521 WeakPolarHBondContact O-CA 3.46Å; F505-T521 CarbonylContact C-O 3.53Å; F505-T521 WeakPolarHBondContact CA-O 3.46Å; F505-T521 VanDerWaalsContact CB-O 3.31Å; F505-T521 WeakPolarHBondContact CB-O 3.45Å; S506-T521 PolarHBondContact N-O 3.29Å; S506-T521 PolarHBondContact OG-O 3.46Å; S507-T521 PolarHBondContact N-O 2.91Å; S507-T521 PolarHBondContact O-N 3.1Å; S507-T521 WeakPolarHBondContact OG-CB 3.31Å |
| 522 | F | 91.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 138.3 | 179.2 | -69.5 | -98.9 | 0 | 0 | 0 | 110.3 | T473 V474 L476 P504 F505 I520 S524 A527 A528 A531 | T473-F522 CarbonylContact C-O 3.59Å; T473-F522 WeakPolarHBondContact CA-O 3.06Å; V474-F522 PolarHBondContact N-O 2.98Å; V474-F522 PolarHBondContact O-N 3.12Å; L476-F522 HydrophobicContact CD1-CD2 4.18Å; L476-F522 HydrophobicContact CD1-CE2 3.51Å; L476-F522 HydrophobicContact CD1-CZ 4.21Å; L476-F522 HydrophobicContact CG-CD2 4.12Å; L476-F522 HydrophobicContact CG-CE2 3.84Å; P504-F522 HydrophobicContact CB-CE1 4.17Å; P504-F522 HydrophobicContact CG-CE1 4.32Å; P504-F522 WeakPolarHBondContact O-CD1 3.33Å; P504-F522 WeakPolarHBondContact O-CE1 3.13Å; F505-F522 HydrophobicContact CB-CD1 4.11Å; F505-F522 HydrophobicContact CB-CD2 4.29Å; F505-F522 HydrophobicContact CB-CE1 3.84Å; F505-F522 HydrophobicContact CB-CE2 4.02Å; F505-F522 HydrophobicContact CB-CG 4.32Å; F505-F522 HydrophobicContact CB-CZ 3.78Å; F505-F522 HydrophobicContact CD1-CZ 4.37Å; I520-F522 HydrophobicContact CD1-CE2 3.47Å; I520-F522 VanDerWaalsContact CD1-CE2 3.47Å; I520-F522 HydrophobicContact CD1-CZ 3.66Å; I520-F522 HydrophobicContact CG1-CE2 3.74Å; I520-F522 HydrophobicContact CG1-CZ 4.41Å; F522-S524 PolarHBondContact O-N 3.46Å; F522-A527 HydrophobicContact CD1-CB 3.88Å; F522-A527 HydrophobicContact CE1-CB 4.44Å; F522-A528 HydrophobicContact CB-CB 3.81Å; F522-A528 HydrophobicContact CD1-CB 4.5Å; F522-A528 HydrophobicContact CD2-CB 3.94Å; F522-A528 HydrophobicContact CG-CB 3.84Å; F522-A531 HydrophobicContact CE1-CB 3.77Å; F522-A531 HydrophobicContact CE2-CB 4.14Å; F522-A531 HydrophobicContact CZ-CB 3.34Å |
| 523 | N | 85.7 | Confident | 89.4 | Confident | 109 Ų | 109 | 44.3 Ų | 44.3 | 58% | 0.583 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -86.5 | 6.8 | 172.8 | -62.4 | -2 | 0 | 0 | 0 | 112.8 | S472 T473 S506 | S472-N523 CarbonylContact O-C 3.59Å; S472-N523 WeakPolarHBondContact O-CA 3.36Å; T473-N523 WeakPolarHBondContact CG2-OD1 3.44Å; S506-N523 VanDerWaalsContact CB-CG 3.46Å; S506-N523 WeakPolarHBondContact CB-OD1 2.86Å; S506-N523 PolarHBondContact OG-OD1 3.14Å |
| 524 | S | 79.9 | Confident | 89.3 | Confident | 50 Ų | 50 | 43 Ų | 43 | 35% | 0.35 | 22% | 0.216 | S | C | . | . | trans | -137.6 | 116.8 | -178.1 | 169.9 | 0 | 0 | 0 | 0 | 109.6 | F522 K526 A527 A528 | F522-S524 PolarHBondContact O-N 3.46Å; S524-K526 VanDerWaalsContact C-N 3.26Å; S524-K526 PolarHBondContact O-N 3.34Å; S524-A527 PolarHBondContact O-N 3.35Å; S524-A527 VanDerWaalsContact O-N 3.17Å; S524-A527 PolarHBondContact OG-N 2.66Å; S524-A528 PolarHBondContact O-N 3.38Å | ||
| 525 | P | 77.4 | Confident | 89.5 | Confident | 39 Ų | 39 | 36.8 Ų | 36.8 | 25% | 0.253 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -55.8 | -39.9 | 176 | -27.2 | 35 | 0 | 0 | 0 | 112.6 | V474 A527 A528 T529 | V474-P525 HydrophobicContact CG2-CB 4.34Å; V474-P525 HydrophobicContact CG2-CG 4.27Å; P525-A527 PolarHBondContact O-N 2.94Å; P525-A528 WeakPolarHBondContact O-CB 3.4Å; P525-A528 PolarHBondContact O-N 3.48Å; P525-T529 PolarHBondContact O-N 3.14Å; P525-T529 PolarHBondContact O-OG1 3.04Å |
| 526 | K | 79.1 | Confident | 89.4 | Confident | 135 Ų | 135 | 35.3 Ų | 35.3 | 59% | 0.587 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -62.9 | -42.5 | 177.5 | -69.2 | -174.4 | 175.6 | -176.1 | 0 | 112.4 | S524 A528 K530 | S524-K526 VanDerWaalsContact C-N 3.26Å; S524-K526 PolarHBondContact O-N 3.34Å; K526-A528 VanDerWaalsContact C-N 3.34Å; K526-K530 WeakPolarHBondContact O-CB 3.35Å; K526-K530 PolarHBondContact O-N 3.17Å; K526-K530 VanDerWaalsContact O-N 3.09Å |
| 527 | A | 85.6 | Confident | 89.2 | Confident | 33 Ų | 33 | 42.2 Ų | 42.2 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.5 | -40.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F522 S524 P525 K530 A531 | F522-A527 HydrophobicContact CD1-CB 3.88Å; F522-A527 HydrophobicContact CE1-CB 4.44Å; S524-A527 PolarHBondContact O-N 3.35Å; S524-A527 VanDerWaalsContact O-N 3.17Å; S524-A527 PolarHBondContact OG-N 2.66Å; P525-A527 PolarHBondContact O-N 2.94Å; A527-K530 PolarHBondContact O-N 3.41Å; A527-A531 VanDerWaalsContact O-CB 3.3Å; A527-A531 WeakPolarHBondContact O-CB 3.45Å; A527-A531 PolarHBondContact O-N 3.19Å |
| 528 | A | 87.8 | Confident | 89.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.9 | -47.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | V474 F522 S524 P525 K526 K530 A531 C532 | V474-A528 HydrophobicContact CB-CB 3.73Å; V474-A528 HydrophobicContact CG1-CB 3.62Å; V474-A528 HydrophobicContact CG2-CB 4.34Å; F522-A528 HydrophobicContact CB-CB 3.81Å; F522-A528 HydrophobicContact CD1-CB 4.5Å; F522-A528 HydrophobicContact CD2-CB 3.94Å; F522-A528 HydrophobicContact CG-CB 3.84Å; S524-A528 PolarHBondContact O-N 3.38Å; P525-A528 WeakPolarHBondContact O-CB 3.4Å; P525-A528 PolarHBondContact O-N 3.48Å; K526-A528 VanDerWaalsContact C-N 3.34Å; A528-K530 PolarHBondContact O-N 2.75Å; A528-A531 PolarHBondContact O-N 3.11Å; A528-C532 WeakPolarHBondContact O-CB 3.48Å; A528-C532 PolarHBondContact O-N 2.82Å |
| 529 | T | 83.7 | Confident | 89.1 | Confident | 11 Ų | 11 | 47.9 Ų | 47.9 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.8 | -52 | 175.9 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | A234 E235 L236 P525 A531 C532 L533 | A234-T529 WeakPolarHBondContact CA-OG1 3.5Å; A234-T529 WeakPolarHBondContact CB-OG1 3.39Å; E235-T529 HydrophobicContact CB-CG2 4.49Å; L236-T529 HydrophobicContact CD2-CG2 3.83Å; L236-T529 HydrophobicContact CG-CG2 4.04Å; P525-T529 PolarHBondContact O-N 3.14Å; P525-T529 PolarHBondContact O-OG1 3.04Å; T529-A531 VanDerWaalsContact C-N 3.33Å; T529-A531 PolarHBondContact O-N 3Å; T529-C532 PolarHBondContact O-N 2.88Å; T529-L533 HydrophobicContact CG2-CD1 4.04Å; T529-L533 WeakPolarHBondContact O-CG 3.48Å; T529-L533 PolarHBondContact O-N 3.38Å |
| 530 | K | 87.7 | Confident | 89 | Confident | 159 Ų | 159 | 50.2 Ų | 50.2 | 69% | 0.691 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.2 | -42.6 | -179 | -174.4 | 177.6 | -179.2 | 178.2 | 0 | 111.6 | K526 A527 A528 K534 | K526-K530 WeakPolarHBondContact O-CB 3.35Å; K526-K530 PolarHBondContact O-N 3.17Å; K526-K530 VanDerWaalsContact O-N 3.09Å; A527-K530 PolarHBondContact O-N 3.41Å; A528-K530 PolarHBondContact O-N 2.75Å; K530-K534 VanDerWaalsContact O-CB 3.26Å; K530-K534 WeakPolarHBondContact O-CB 3.08Å; K530-K534 PolarHBondContact O-N 3.07Å; K530-K534 VanDerWaalsContact O-N 3.15Å |
| 531 | A | 91.7 | Very high | 88.8 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.7 | -42.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L476 L498 F522 A527 A528 T529 K534 L535 | L476-A531 HydrophobicContact CD1-CB 4.16Å; L498-A531 HydrophobicContact CD2-CB 3.8Å; F522-A531 HydrophobicContact CE1-CB 3.77Å; F522-A531 HydrophobicContact CE2-CB 4.14Å; F522-A531 HydrophobicContact CZ-CB 3.34Å; A527-A531 VanDerWaalsContact O-CB 3.3Å; A527-A531 WeakPolarHBondContact O-CB 3.45Å; A527-A531 PolarHBondContact O-N 3.19Å; A528-A531 PolarHBondContact O-N 3.11Å; T529-A531 VanDerWaalsContact C-N 3.33Å; T529-A531 PolarHBondContact O-N 3Å; A531-K534 PolarHBondContact O-N 2.69Å; A531-L535 WeakPolarHBondContact O-CB 3.46Å; A531-L535 VanDerWaalsContact O-CG 3.25Å; A531-L535 WeakPolarHBondContact O-CG 3.48Å; A531-L535 PolarHBondContact O-N 2.93Å |
| 532 | C | 90.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.6 | -56.3 | 178.2 | -173.1 | 0 | 0 | 0 | 0 | 111 | L236 L476 A528 T529 K534 L535 Q536 | L236-C532 HydrophobicContact CD1-CB 4.24Å; L476-C532 HydrophobicContact CD1-CB 3.92Å; L476-C532 HydrophobicContact CD2-CB 4.11Å; A528-C532 WeakPolarHBondContact O-CB 3.48Å; A528-C532 PolarHBondContact O-N 2.82Å; T529-C532 PolarHBondContact O-N 2.88Å; C532-K534 VanDerWaalsContact C-N 3.3Å; C532-K534 PolarHBondContact O-N 2.88Å; C532-L535 PolarHBondContact O-N 3.36Å; C532-Q536 WeakPolarHBondContact O-CB 3.31Å; C532-Q536 VanDerWaalsContact O-CG 3.31Å; C532-Q536 WeakPolarHBondContact O-CG 3.27Å; C532-Q536 PolarHBondContact O-N 2.95Å |
| 533 | L | 89.2 | Confident | 88.6 | Confident | 80 Ų | 80 | 67.9 Ų | 67.9 | 42% | 0.419 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.4 | -41 | -180 | -65.9 | 174.4 | 0 | 0 | 0 | 112 | L236 I240 T529 E537 | L236-L533 HydrophobicContact CD2-CD1 4.33Å; L236-L533 HydrophobicContact CD2-CD2 3.64Å; L236-L533 HydrophobicContact CD2-CG 3.8Å; I240-L533 HydrophobicContact CD1-CD2 3.78Å; T529-L533 HydrophobicContact CG2-CD1 4.04Å; T529-L533 WeakPolarHBondContact O-CG 3.48Å; T529-L533 PolarHBondContact O-N 3.38Å; L533-E537 PolarHBondContact O-N 3.35Å |
| 534 | K | 92.6 | Very high | 89 | Confident | 65 Ų | 65 | 67.8 Ų | 67.8 | 28% | 0.283 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 178.8 | -172.5 | 167.6 | -172.4 | 169.6 | 0 | 112.7 | L497 L498 K530 A531 C532 A538 | L497-K534 VanDerWaalsContact O-CE 3.28Å; L497-K534 WeakPolarHBondContact O-CE 3.48Å; L498-K534 HydrophobicContact CD2-CD 4.43Å; L498-K534 WeakPolarHBondContact O-CE 3.39Å; L498-K534 PolarHBondContact O-NZ 3.18Å; K530-K534 VanDerWaalsContact O-CB 3.26Å; K530-K534 WeakPolarHBondContact O-CB 3.08Å; K530-K534 PolarHBondContact O-N 3.07Å; K530-K534 VanDerWaalsContact O-N 3.15Å; A531-K534 PolarHBondContact O-N 2.69Å; C532-K534 VanDerWaalsContact C-N 3.3Å; C532-K534 PolarHBondContact O-N 2.88Å; K534-A538 PolarHBondContact O-N 3.18Å |
| 535 | L | 93.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -78.3 | -26.4 | -179.1 | -66.9 | 170.7 | 0 | 0 | 0 | 112.6 | I478 L494 L497 L498 A531 C532 E537 A538 L545 V547 | I478-L535 HydrophobicContact CD1-CD1 3.78Å; I478-L535 HydrophobicContact CG1-CD1 4.38Å; L494-L535 HydrophobicContact CD2-CD2 4.49Å; L497-L535 HydrophobicContact CB-CD2 3.73Å; L497-L535 HydrophobicContact CD1-CD2 4.27Å; L498-L535 HydrophobicContact CD2-CD1 3.99Å; L498-L535 HydrophobicContact CD2-CD2 4.02Å; L498-L535 HydrophobicContact CD2-CG 3.72Å; L498-L535 HydrophobicContact CG-CD1 4.38Å; L498-L535 HydrophobicContact CG-CD2 4.09Å; L498-L535 HydrophobicContact CG-CG 4.27Å; A531-L535 WeakPolarHBondContact O-CB 3.46Å; A531-L535 VanDerWaalsContact O-CG 3.25Å; A531-L535 WeakPolarHBondContact O-CG 3.48Å; A531-L535 PolarHBondContact O-N 2.93Å; C532-L535 PolarHBondContact O-N 3.36Å; L535-E537 VanDerWaalsContact C-N 3.26Å; L535-E537 PolarHBondContact O-N 3.02Å; L535-A538 WeakPolarHBondContact O-CB 3.28Å; L535-A538 PolarHBondContact O-N 3.15Å; L535-A538 VanDerWaalsContact O-N 3.12Å; L535-L545 HydrophobicContact CD2-CD1 4.39Å; L535-V547 HydrophobicContact CB-CG1 4.39Å; L535-V547 HydrophobicContact CB-CG2 3.7Å |
| 536 | Q | 90.4 | Very high | 90.5 | Very high | 38 Ų | 38 | 65.9 Ų | 65.9 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.9 | -32.8 | 172.9 | -78.9 | -177.6 | -18.2 | 0 | 0 | 112.6 | I240 C532 A538 K544 V547 | I240-Q536 VanDerWaalsContact CG2-NE2 3.27Å; C532-Q536 WeakPolarHBondContact O-CB 3.31Å; C532-Q536 VanDerWaalsContact O-CG 3.31Å; C532-Q536 WeakPolarHBondContact O-CG 3.27Å; C532-Q536 PolarHBondContact O-N 2.95Å; Q536-A538 VanDerWaalsContact C-N 3.34Å; Q536-K544 WeakPolarHBondContact O-CE 3.46Å; Q536-K544 PolarHBondContact O-NZ 2.85Å; Q536-V547 HydrophobicContact CG-CB 3.75Å; Q536-V547 HydrophobicContact CG-CG1 4.45Å; Q536-V547 HydrophobicContact CG-CG2 4.5Å; Q536-V547 PolarHBondContact NE2-O 3.28Å |
| 537 | E | 90.3 | Very high | 91.1 | Very high | 144 Ų | 144 | 59.6 Ų | 59.6 | 67% | 0.673 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 3.6 | 174.2 | -65.7 | -51.8 | 114.7 | 0 | 0 | 113.3 | L533 L535 K544 | L533-E537 PolarHBondContact O-N 3.35Å; L535-E537 VanDerWaalsContact C-N 3.26Å; L535-E537 PolarHBondContact O-N 3.02Å; E537-K544 IonicContact OE1-NZ 2.66Å; E537-K544 PolarHBondContact OE1-NZ 3.46Å; E537-K544 VanDerWaalsContact OE1-NZ 3.1Å; E537-K544 IonicContact OE2-NZ 3.61Å |
| 538 | A | 94.7 | Very high | 91.4 | Very high | 11 Ų | 11 | 58.7 Ų | 58.7 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | trans | -86.2 | 149.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L497 K534 L535 Q536 L545 | L497-A538 HydrophobicContact CD1-CB 4.34Å; L497-A538 HydrophobicContact CD2-CB 4.27Å; K534-A538 PolarHBondContact O-N 3.18Å; L535-A538 WeakPolarHBondContact O-CB 3.28Å; L535-A538 PolarHBondContact O-N 3.15Å; L535-A538 VanDerWaalsContact O-N 3.12Å; Q536-A538 VanDerWaalsContact C-N 3.34Å; A538-L545 HydrophobicContact CB-CD1 4.21Å; A538-L545 PolarHBondContact O-N 3.43Å | ||
| 539 | E | 95 | Very high | 91.5 | Very high | 109 Ų | 109 | 58.8 Ų | 58.8 | 51% | 0.509 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 143.2 | 174.3 | 173.4 | 159.4 | -138.1 | 0 | 0 | 109.1 | D542 R543 | E539-D542 WeakPolarHBondContact OE1-CA 3.45Å; E539-R543 WeakPolarHBondContact CA-O 3.38Å; E539-R543 PolarHBondContact OE1-N 3.25Å |
| 540 | Y | 94 | Very high | 91.9 | Very high | 49 Ų | 49 | 58.5 Ų | 58.5 | 19% | 0.192 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 123.5 | 177.1 | -174 | -93.9 | 0 | 0 | 0 | 109.2 | P482 I493 D542 R543 | P482-Y540 HydrophobicContact CG-CD1 3.88Å; P482-Y540 HydrophobicContact CG-CE1 3.56Å; I493-Y540 HydrophobicContact CB-CE2 4.42Å; I493-Y540 HydrophobicContact CD1-CE1 3.94Å; I493-Y540 HydrophobicContact CD1-CE2 4.21Å; I493-Y540 HydrophobicContact CG1-CE1 4.48Å; I493-Y540 HydrophobicContact CG1-CE2 3.84Å; I493-Y540 HydrophobicContact CG2-CD2 3.71Å; I493-Y540 HydrophobicContact CG2-CE2 3.8Å; I493-Y540 HydrophobicContact CG2-CG 4.14Å; Y540-D542 VanDerWaalsContact C-N 3.34Å; Y540-D542 PolarHBondContact O-N 2.79Å; Y540-R543 PolarHBondContact N-O 3.49Å; Y540-R543 WeakPolarHBondContact O-CB 3.46Å; Y540-R543 PolarHBondContact O-N 2.82Å; Y540-R543 VanDerWaalsContact O-N 3.1Å |
| 541 | E | 91.3 | Very high | 92.1 | Very high | 118 Ų | 118 | 51.4 Ų | 51.4 | 55% | 0.551 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 48.9 | -177.1 | -63.6 | 178.3 | 174.2 | 0 | 0 | 113 | R543 | E541-R543 PolarHBondContact O-N 2.88Š|
| 542 | D | 90.5 | Very high | 92 | Very high | 151 Ų | 151 | 53.1 Ų | 53.1 | 81% | 0.807 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 25.6 | -179.3 | -50.2 | -49.1 | 0 | 0 | 0 | 114 | E539 Y540 | E539-D542 WeakPolarHBondContact OE1-CA 3.45Å; Y540-D542 VanDerWaalsContact C-N 3.34Å; Y540-D542 PolarHBondContact O-N 2.79Å |
| 543 | R | 89.8 | Confident | 92.1 | Very high | 120 Ų | 120 | 53.3 Ų | 53.3 | 45% | 0.453 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 111.9 | 173.3 | -59 | -179.5 | -171 | -168.5 | 2.9 | 110.6 | E539 Y540 E541 L545 | E539-R543 WeakPolarHBondContact CA-O 3.38Å; E539-R543 PolarHBondContact OE1-N 3.25Å; Y540-R543 PolarHBondContact N-O 3.49Å; Y540-R543 WeakPolarHBondContact O-CB 3.46Å; Y540-R543 PolarHBondContact O-N 2.82Å; Y540-R543 VanDerWaalsContact O-N 3.1Å; E541-R543 PolarHBondContact O-N 2.88Å; R543-L545 PolarHBondContact O-N 3.43Å |
| 544 | K | 93.2 | Very high | 92.3 | Very high | 107 Ų | 107 | 51.1 Ų | 51.1 | 47% | 0.465 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 126.8 | 170.2 | -175.1 | 164.9 | -175.9 | 161 | 0 | 109.9 | N480 Q536 E537 | N480-K544 PolarHBondContact ND2-O 3.34Å; Q536-K544 WeakPolarHBondContact O-CE 3.46Å; Q536-K544 PolarHBondContact O-NZ 2.85Å; E537-K544 IonicContact OE1-NZ 2.66Å; E537-K544 PolarHBondContact OE1-NZ 3.46Å; E537-K544 VanDerWaalsContact OE1-NZ 3.1Å; E537-K544 IonicContact OE2-NZ 3.61Å |
| 545 | L | 95.1 | Very high | 92.2 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | trans | -67.7 | 151.7 | 177.6 | -64 | -168.9 | 0 | 0 | 0 | 111.2 | I478 L481 L497 L535 A538 R543 V547 | I478-L545 HydrophobicContact CG2-CD1 4.22Å; L481-L545 HydrophobicContact CD2-CD1 4.37Å; L481-L545 HydrophobicContact CD2-CD2 3.63Å; L481-L545 HydrophobicContact CG-CD2 3.94Å; L497-L545 HydrophobicContact CD1-CD1 3.54Å; L535-L545 HydrophobicContact CD2-CD1 4.39Å; A538-L545 HydrophobicContact CB-CD1 4.21Å; A538-L545 PolarHBondContact O-N 3.43Å; R543-L545 PolarHBondContact O-N 3.43Å; L545-V547 HydrophobicContact CB-CG2 4.14Å | ||
| 546 | I | 93.4 | Very high | 92 | Very high | 42 Ų | 42 | 57.3 Ų | 57.3 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 119.8 | 169.4 | -57.2 | 169.9 | 0 | 0 | 0 | 106.8 | S479 N480 L548 | S479-I546 PolarHBondContact N-O 2.78Å; S479-I546 PolarHBondContact O-N 2.96Å; S479-I546 VanDerWaalsContact O-N 3.1Å; S479-I546 WeakPolarHBondContact OG-CB 3.37Å; N480-I546 HydrophobicContact CB-CD1 4.48Å; N480-I546 HydrophobicContact CB-CG1 4.4Å; I546-L548 HydrophobicContact CG2-CD2 4.27Å |
| 547 | V | 93.3 | Very high | 92.1 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 122.2 | -174.5 | -175.7 | 0 | 0 | 0 | 0 | 110.1 | Y477 I478 L535 Q536 L545 | Y477-V547 CarbonylContact O-C 3.59Å; Y477-V547 VanDerWaalsContact O-CA 3.23Å; Y477-V547 WeakPolarHBondContact O-CA 3.25Å; I478-V547 HydrophobicContact CG1-CG1 4.25Å; I478-V547 HydrophobicContact CG1-CG2 4.35Å; I478-V547 HydrophobicContact CG2-CG2 4.37Å; L535-V547 HydrophobicContact CB-CG1 4.39Å; L535-V547 HydrophobicContact CB-CG2 3.7Å; Q536-V547 HydrophobicContact CG-CB 3.75Å; Q536-V547 HydrophobicContact CG-CG1 4.45Å; Q536-V547 HydrophobicContact CG-CG2 4.5Å; Q536-V547 PolarHBondContact NE2-O 3.28Å; L545-V547 HydrophobicContact CB-CG2 4.14Å |
| 548 | L | 91.8 | Very high | 92.2 | Very high | 14 Ų | 14 | 50.3 Ų | 50.3 | 7% | 0.073 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 131.6 | -177.2 | -48.9 | -179 | 0 | 0 | 0 | 110 | S243 L476 Y477 I546 L550 A604 | S243-L548 WeakPolarHBondContact OG-CD2 3.45Å; L476-L548 CarbonylContact C-O 3.59Å; L476-L548 WeakPolarHBondContact CA-O 3.48Å; Y477-L548 HydrophobicContact CD1-CD1 4.09Å; Y477-L548 HydrophobicContact CD1-CG 4.16Å; Y477-L548 PolarHBondContact N-O 3.31Å; Y477-L548 PolarHBondContact O-N 3.1Å; I546-L548 HydrophobicContact CG2-CD2 4.27Å; L548-L550 HydrophobicContact CB-CD2 3.85Å; L548-A604 HydrophobicContact CD1-CB 3.79Å |
| 549 | C | 90 | Very high | 92.1 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 113 | 168.9 | -165.1 | 0 | 0 | 0 | 0 | 108 | L236 L241 L476 | L236-C549 HydrophobicContact CD1-CB 3.86Å; L241-C549 HydrophobicContact CD2-CB 3.74Å; L476-C549 HydrophobicContact CD2-CB 3.89Å |
| 550 | L | 90.9 | Very high | 91.8 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | trans | -88.9 | 137.8 | -166.9 | -60 | -172.4 | 0 | 0 | 0 | 112 | H470 A475 I519 L548 A604 Y607 V608 | H470-L550 PolarHBondContact CE1-O 3.18Å; A475-L550 PolarHBondContact O-N 3.17Å; I519-L550 HydrophobicContact CD1-CD1 3.82Å; L548-L550 HydrophobicContact CB-CD2 3.85Å; L550-A604 HydrophobicContact CD2-CB 4.3Å; L550-Y607 HydrophobicContact CD1-CD1 3.35Å; L550-Y607 HydrophobicContact CD1-CE1 3.8Å; L550-Y607 HydrophobicContact CD1-CG 4.23Å; L550-V608 HydrophobicContact CB-CG2 4.1Å; L550-V608 HydrophobicContact CD1-CG2 4.27Å; L550-V608 HydrophobicContact CD2-CG2 4.19Å; L550-V608 HydrophobicContact CG-CG2 4.44Å | ||
| 551 | P | 91.6 | Very high | 91.7 | Very high | 10 Ų | 10 | 57.7 Ų | 57.7 | 7% | 0.065 | 28% | 0.283 | C | S | . | . | trans | -74.2 | 167.6 | 169 | 36.6 | -38.8 | 0 | 0 | 0 | 110.6 | L229 T230 T231 F592 V608 | L229-P551 HydrophobicContact CD1-CB 3.92Å; L229-P551 HydrophobicContact CD1-CG 4.36Å; L229-P551 HydrophobicContact CD2-CB 4.35Å; L229-P551 HydrophobicContact CG-CB 4.22Å; T230-P551 WeakPolarHBondContact O-CA 3.18Å; T230-P551 WeakPolarHBondContact O-CB 3.18Å; T231-P551 HydrophobicContact CG2-CB 4.31Å; P551-F592 HydrophobicContact CB-CD1 4.11Å; P551-F592 HydrophobicContact CB-CE1 4.35Å; P551-F592 HydrophobicContact CG-CB 4.47Å; P551-F592 HydrophobicContact CG-CD1 3.73Å; P551-F592 HydrophobicContact CG-CE1 4.3Å; P551-F592 HydrophobicContact CG-CG 4.32Å; P551-V608 HydrophobicContact CG-CG1 3.96Å; P551-V608 HydrophobicContact CG-CG2 4.19Å | ||
| 552 | N | 90.8 | Very high | 91.9 | Very high | 42 Ų | 42 | 52.6 Ų | 52.6 | 23% | 0.225 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 127.9 | 176.8 | -175.6 | 38.3 | 0 | 0 | 0 | 110 | T230 H470 Q554 | T230-N552 PolarHBondContact N-O 2.98Å; T230-N552 PolarHBondContact O-N 3.19Å; T230-N552 WeakPolarHBondContact OG1-CB 3.07Å; T230-N552 PolarHBondContact OG1-O 3.34Å; H470-N552 PolarHBondContact CE1-N 3.09Å; N552-Q554 PolarHBondContact ND2-NE2 3.08Å; N552-Q554 VanDerWaalsContact ND2-NE2 3.16Å |
| 553 | I | 93.5 | Very high | 92.3 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 132.5 | 176.3 | -61.5 | 176.3 | 0 | 0 | 0 | 108.1 | L224 C228 L229 P555 I558 V608 F609 V612 | L224-I553 HydrophobicContact CD1-CD1 4.37Å; L224-I553 HydrophobicContact CD1-CG2 4.2Å; L224-I553 HydrophobicContact CD2-CD1 3.89Å; L224-I553 HydrophobicContact CD2-CG1 4.18Å; C228-I553 CarbonylContact O-C 3.56Å; C228-I553 WeakPolarHBondContact O-CA 3.33Å; L229-I553 HydrophobicContact CD1-CG1 3.61Å; I553-P555 VanDerWaalsContact O-CD 3.22Å; I553-P555 WeakPolarHBondContact O-CD 3.37Å; I553-I558 HydrophobicContact CG2-CD1 3.82Å; I553-I558 HydrophobicContact CG2-CG1 4.5Å; I553-V608 HydrophobicContact CD1-CG1 3.86Å; I553-V608 HydrophobicContact CG1-CG1 4.07Å; I553-F609 HydrophobicContact CD1-CD1 4.21Å; I553-F609 HydrophobicContact CD1-CD2 3.84Å; I553-F609 HydrophobicContact CD1-CE1 4.19Å; I553-F609 HydrophobicContact CD1-CE2 3.78Å; I553-F609 HydrophobicContact CD1-CG 4.05Å; I553-F609 HydrophobicContact CD1-CZ 3.97Å; I553-V612 HydrophobicContact CB-CG2 4.31Å; I553-V612 HydrophobicContact CD1-CG2 4.01Å; I553-V612 HydrophobicContact CG2-CG2 3.77Å |
| 554 | Q | 91.5 | Very high | 92.7 | Very high | 34 Ų | 34 | 42.5 Ų | 42.5 | 16% | 0.159 | 21% | 0.213 | C | C | . | . | trans | -94.6 | 93.5 | 173.6 | -59.1 | -62.8 | -31.2 | 0 | 0 | 108.4 | F151 C228 N552 R556 M557 | F151-Q554 HydrophobicContact CD1-CG 4.18Å; F151-Q554 HydrophobicContact CD2-CB 4.28Å; F151-Q554 HydrophobicContact CD2-CG 3.83Å; F151-Q554 HydrophobicContact CE1-CG 4.13Å; F151-Q554 HydrophobicContact CE2-CB 4.19Å; F151-Q554 HydrophobicContact CE2-CG 3.81Å; F151-Q554 HydrophobicContact CG-CG 3.99Å; F151-Q554 HydrophobicContact CZ-CG 3.94Å; C228-Q554 PolarHBondContact O-N 2.79Å; N552-Q554 PolarHBondContact ND2-NE2 3.08Å; N552-Q554 VanDerWaalsContact ND2-NE2 3.16Å; Q554-R556 VanDerWaalsContact C-N 3.26Å; Q554-R556 PolarHBondContact O-N 2.84Å; Q554-M557 HydrophobicContact CB-CB 4.27Å; Q554-M557 HydrophobicContact CB-CG 3.77Å; Q554-M557 WeakPolarHBondContact O-CB 3.34Å; Q554-M557 PolarHBondContact O-N 3.39Å | ||
| 555 | P | 91.8 | Very high | 93 | Very high | 43 Ų | 43 | 37.4 Ų | 37.4 | 28% | 0.279 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -63.1 | -34.9 | -167.6 | -21 | 34.8 | 0 | 0 | 0 | 112.4 | I553 M557 I558 N611 | I553-P555 VanDerWaalsContact O-CD 3.22Å; I553-P555 WeakPolarHBondContact O-CD 3.37Å; P555-M557 PolarHBondContact O-N 3.14Å; P555-I558 WeakPolarHBondContact O-CB 3.45Å; P555-I558 PolarHBondContact O-N 3.1Å; P555-N611 WeakPolarHBondContact CB-O 3.48Å; P555-N611 HydrophobicContact CG-CB 3.68Å; P555-N611 WeakPolarHBondContact CG-O 3.08Å |
| 556 | R | 90.2 | Very high | 93.1 | Very high | 152 Ų | 152 | 37.1 Ų | 37.1 | 57% | 0.574 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -59.1 | -16.2 | 175.3 | 70.1 | 177.3 | -178.6 | 83.6 | -6.2 | 115.2 | Q554 | Q554-R556 VanDerWaalsContact C-N 3.26Å; Q554-R556 PolarHBondContact O-N 2.84Å |
| 557 | M | 90.5 | Very high | 93.4 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 6% | 0.064 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -92.5 | -15.6 | 178.6 | -62 | -65.4 | -65.2 | 0 | 0 | 111.8 | F151 P157 C228 Q554 P555 P559 | F151-M557 HydrophobicContact CD2-CE 4.24Å; F151-M557 HydrophobicContact CD2-CG 3.88Å; F151-M557 HydrophobicContact CD2-SD 4.34Å; F151-M557 HydrophobicContact CE2-CE 4.39Å; F151-M557 HydrophobicContact CE2-CG 3.75Å; F151-M557 HydrophobicContact CE2-SD 3.98Å; P157-M557 HydrophobicContact CB-CE 3.96Å; P157-M557 HydrophobicContact CB-SD 3.83Å; P157-M557 HydrophobicContact CG-CE 4.37Å; P157-M557 HydrophobicContact CG-SD 3.72Å; C228-M557 HydrophobicContact CB-CB 3.97Å; C228-M557 VanDerWaalsContact SG-CB 3.53Å; C228-M557 PolarHBondContact SG-O 3.5Å; Q554-M557 HydrophobicContact CB-CB 4.27Å; Q554-M557 HydrophobicContact CB-CG 3.77Å; Q554-M557 WeakPolarHBondContact O-CB 3.34Å; Q554-M557 PolarHBondContact O-N 3.39Å; P555-M557 PolarHBondContact O-N 3.14Å; M557-P559 WeakPolarHBondContact O-CD 3.34Å |
| 558 | I | 93.6 | Very high | 93.6 | Very high | 22 Ų | 22 | 34.9 Ų | 34.9 | 11% | 0.113 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -73.5 | 124.3 | 179.1 | -57.2 | 171.9 | 0 | 0 | 0 | 107.7 | L224 C228 I553 P555 V562 P564 V612 | L224-I558 HydrophobicContact CD1-CD1 4.42Å; C228-I558 HydrophobicContact CB-CG1 4.08Å; I553-I558 HydrophobicContact CG2-CD1 3.82Å; I553-I558 HydrophobicContact CG2-CG1 4.5Å; P555-I558 WeakPolarHBondContact O-CB 3.45Å; P555-I558 PolarHBondContact O-N 3.1Å; I558-V562 HydrophobicContact CG2-CB 4.2Å; I558-V562 HydrophobicContact CG2-CG1 4.26Å; I558-P564 HydrophobicContact CD1-CG 4.19Å; I558-P564 HydrophobicContact CG2-CG 4Å; I558-V612 HydrophobicContact CD1-CG1 3.82Å; I558-V612 HydrophobicContact CD1-CG2 4.01Å |
| 559 | P | 91.7 | Very high | 93.8 | Very high | 56 Ų | 56 | 34.2 Ų | 34.2 | 36% | 0.364 | 18% | 0.175 | S | C | . | . | trans | -62.8 | 143.6 | 176.7 | -21.8 | 33 | 0 | 0 | 0 | 112.2 | M557 N561 V562 | M557-P559 WeakPolarHBondContact O-CD 3.34Å; P559-N561 WeakPolarHBondContact CB-OD1 3.24Å; P559-N561 PolarHBondContact O-N 3.48Å; P559-V562 HydrophobicContact CB-CB 4.47Å; P559-V562 HydrophobicContact CB-CG2 3.98Å; P559-V562 HydrophobicContact CG-CG2 4.11Å; P559-V562 WeakPolarHBondContact O-CB 3.32Å; P559-V562 PolarHBondContact O-N 2.92Å | ||
| 560 | D | 90.4 | Very high | 93.8 | Very high | 165 Ų | 165 | 35 Ų | 35 | 88% | 0.882 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.3 | -175.8 | -61.2 | -38.1 | 0 | 0 | 0 | 114.6 | V562 | D560-V562 VanDerWaalsContact C-N 3.33Š|
| 561 | N | 91.2 | Very high | 93.5 | Very high | 103 Ų | 103 | 36.7 Ų | 36.7 | 55% | 0.551 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 7.1 | 179.1 | 72.4 | -37.4 | 0 | 0 | 0 | 113.8 | P559 | P559-N561 WeakPolarHBondContact CB-OD1 3.24Å; P559-N561 PolarHBondContact O-N 3.48Å |
| 562 | V | 96 | Very high | 93 | Very high | 10 Ų | 10 | 45.3 Ų | 45.3 | 6% | 0.061 | 22% | 0.218 | C | C | . | . | trans | -112.9 | 131.3 | -179.7 | 176.6 | 0 | 0 | 0 | 0 | 109.3 | M223 I558 P559 D560 P564 | M223-V562 WeakPolarHBondContact O-CG1 3.27Å; I558-V562 HydrophobicContact CG2-CB 4.2Å; I558-V562 HydrophobicContact CG2-CG1 4.26Å; P559-V562 HydrophobicContact CB-CB 4.47Å; P559-V562 HydrophobicContact CB-CG2 3.98Å; P559-V562 HydrophobicContact CG-CG2 4.11Å; P559-V562 WeakPolarHBondContact O-CB 3.32Å; P559-V562 PolarHBondContact O-N 2.92Å; D560-V562 VanDerWaalsContact C-N 3.33Å; V562-P564 HydrophobicContact CG1-CG 4.12Å | ||
| 563 | Q | 97.6 | Very high | 92.1 | Very high | 59 Ų | 59 | 44.2 Ų | 44.2 | 28% | 0.276 | 21% | 0.214 | S | C | . | . | trans | -120.6 | 89.7 | 171.9 | -63.8 | -176.5 | -50.3 | 0 | 0 | 107.9 | P221 I222 L565 K614 K616 | P221-Q563 PolarHBondContact O-N 3.34Å; I222-Q563 WeakPolarHBondContact CA-O 3.23Å; Q563-L565 PolarHBondContact O-N 3.49Å; Q563-K614 HydrophobicContact CG-CB 4.01Å; Q563-K616 HydrophobicContact CB-CG 4.39Å | ||
| 564 | P | 98.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -53.2 | 140.2 | -174 | -27.3 | 36.5 | 0 | 0 | 0 | 112.1 | I222 L224 I558 V562 F609 K614 Y615 K616 | I222-P564 WeakPolarHBondContact O-CA 3.17Å; L224-P564 HydrophobicContact CB-CB 4.18Å; L224-P564 HydrophobicContact CD1-CB 4.22Å; L224-P564 HydrophobicContact CD1-CG 4.05Å; I558-P564 HydrophobicContact CD1-CG 4.19Å; I558-P564 HydrophobicContact CG2-CG 4Å; V562-P564 HydrophobicContact CG1-CG 4.12Å; P564-F609 HydrophobicContact CB-CE1 4.1Å; P564-K614 WeakPolarHBondContact CD-O 3.3Å; P564-Y615 VanDerWaalsContact O-CA 3.32Å; P564-Y615 WeakPolarHBondContact O-CA 3.49Å; P564-Y615 WeakPolarHBondContact O-CB 3.19Å; P564-K616 PolarHBondContact O-N 3.41Å |
| 565 | L | 98.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 127.7 | 175.9 | -179.9 | 67.4 | 0 | 0 | 0 | 110.4 | I222 Q563 V567 L589 Q593 K616 L618 L678 V681 | I222-L565 HydrophobicContact CB-CB 3.86Å; I222-L565 HydrophobicContact CD1-CB 4.21Å; I222-L565 HydrophobicContact CD1-CD2 3.89Å; I222-L565 HydrophobicContact CG2-CB 4.38Å; I222-L565 PolarHBondContact O-N 3.45Å; Q563-L565 PolarHBondContact O-N 3.49Å; L565-V567 HydrophobicContact CD2-CG2 3.76Å; L565-V567 HydrophobicContact CG-CG2 3.87Å; L565-L589 HydrophobicContact CD2-CD1 4.24Å; L565-Q593 VanDerWaalsContact O-CB 3.3Å; L565-Q593 WeakPolarHBondContact O-CB 3.41Å; L565-Q593 WeakPolarHBondContact O-CG 2.93Å; L565-Q593 PolarHBondContact O-NE2 2.88Å; L565-K616 CarbonylContact C-O 3.44Å; L565-K616 WeakPolarHBondContact CA-O 3.22Å; L565-K616 HydrophobicContact CD1-CB 3.78Å; L565-L618 HydrophobicContact CD1-CB 3.91Å; L565-L618 HydrophobicContact CD2-CB 4.14Å; L565-L618 HydrophobicContact CD2-CD2 4.43Å; L565-L618 HydrophobicContact CG-CB 4.31Å; L565-L678 HydrophobicContact CD2-CD2 3.57Å; L565-V681 HydrophobicContact CD1-CG1 3.93Å; L565-V681 HydrophobicContact CD2-CG1 4.27Å |
| 566 | L | 98.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 120.1 | 165 | 170.4 | 58.5 | 0 | 0 | 0 | 109.4 | L568 F595 A605 L606 F609 Y615 K616 I617 L618 | L566-L568 HydrophobicContact CD1-CD2 3.91Å; L566-L568 HydrophobicContact CD2-CD2 4.19Å; L566-L568 HydrophobicContact CD2-CG 4.48Å; L566-L568 HydrophobicContact CG-CD2 3.98Å; L566-L568 HydrophobicContact CG-CG 4.18Å; L566-F595 HydrophobicContact CD1-CD2 3.48Å; L566-F595 VanDerWaalsContact CD1-CD2 3.48Å; L566-F595 HydrophobicContact CD1-CE2 3.7Å; L566-A605 HydrophobicContact CD1-CB 3.77Å; L566-A605 HydrophobicContact CD2-CB 4.02Å; L566-A605 HydrophobicContact CG-CB 4.48Å; L566-L606 HydrophobicContact CD2-CD2 4.09Å; L566-F609 HydrophobicContact CB-CD1 4.31Å; L566-F609 HydrophobicContact CB-CD2 4.48Å; L566-F609 HydrophobicContact CB-CE1 4.09Å; L566-F609 HydrophobicContact CB-CE2 4.3Å; L566-F609 HydrophobicContact CB-CG 4.49Å; L566-F609 HydrophobicContact CB-CZ 4.1Å; L566-F609 HydrophobicContact CD1-CD2 4.18Å; L566-F609 HydrophobicContact CD1-CE2 3.93Å; L566-F609 HydrophobicContact CD1-CZ 4.44Å; L566-F609 HydrophobicContact CD2-CD2 4.31Å; L566-F609 HydrophobicContact CD2-CG 4.4Å; L566-Y615 HydrophobicContact CB-CD2 4.33Å; L566-Y615 HydrophobicContact CD2-CE2 4.36Å; L566-K616 PolarHBondContact N-O 2.84Å; L566-I617 HydrophobicContact CB-CG1 4.34Å; L566-I617 HydrophobicContact CD2-CG1 4.42Å; L566-I617 CarbonylContact O-C 3.59Å; L566-I617 VanDerWaalsContact O-CA 3.27Å; L566-I617 WeakPolarHBondContact O-CA 3.32Å; L566-L618 PolarHBondContact O-N 3.08Å |
| 567 | V | 98.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 119.9 | -180 | -174.1 | 0 | 0 | 0 | 0 | 109.7 | L565 V569 F585 L589 Q593 V594 F595 L618 | L565-V567 HydrophobicContact CD2-CG2 3.76Å; L565-V567 HydrophobicContact CG-CG2 3.87Å; V567-V569 HydrophobicContact CG1-CG2 3.83Å; V567-F585 HydrophobicContact CG1-CD2 3.74Å; V567-F585 HydrophobicContact CG1-CE2 4.18Å; V567-F585 HydrophobicContact CG1-CG 4.24Å; V567-L589 HydrophobicContact CG2-CD1 3.72Å; V567-Q593 PolarHBondContact N-O 3.12Å; V567-V594 HydrophobicContact CB-CB 4.48Å; V567-V594 HydrophobicContact CB-CG1 4.32Å; V567-V594 HydrophobicContact CB-CG2 4.2Å; V567-V594 HydrophobicContact CG1-CG1 4.36Å; V567-V594 HydrophobicContact CG2-CG2 4.37Å; V567-F595 PolarHBondContact O-N 2.78Å; V567-L618 WeakPolarHBondContact CA-O 3.16Å; V567-L618 HydrophobicContact CG1-CD2 4.28Å; V567-L618 HydrophobicContact CG2-CB 4.38Å; V567-L618 HydrophobicContact CG2-CD2 4.49Å |
| 568 | L | 98 | Very high | 86.3 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 111 | -179.6 | -61.1 | -178.3 | 0 | 0 | 0 | 109.2 | L566 F595 I597 P602 A605 I617 L618 C620 V629 | L566-L568 HydrophobicContact CD1-CD2 3.91Å; L566-L568 HydrophobicContact CD2-CD2 4.19Å; L566-L568 HydrophobicContact CD2-CG 4.48Å; L566-L568 HydrophobicContact CG-CD2 3.98Å; L566-L568 HydrophobicContact CG-CG 4.18Å; L568-F595 HydrophobicContact CD2-CB 4.06Å; L568-I597 HydrophobicContact CB-CG2 3.75Å; L568-I597 HydrophobicContact CD2-CG2 3.83Å; L568-I597 HydrophobicContact CG-CG2 4.26Å; L568-P602 HydrophobicContact CD1-CB 4.17Å; L568-A605 HydrophobicContact CD2-CB 3.63Å; L568-I617 HydrophobicContact CD1-CG2 3.95Å; L568-I617 HydrophobicContact CG-CG2 4.26Å; L568-L618 PolarHBondContact N-O 2.87Å; L568-C620 PolarHBondContact O-N 2.83Å; L568-V629 HydrophobicContact CD1-CB 4.43Å; L568-V629 HydrophobicContact CD1-CG1 3.77Å; L568-V629 HydrophobicContact CD1-CG2 3.7Å |
| 569 | V | 94.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 118.4 | -174.3 | -171.6 | 0 | 0 | 0 | 0 | 111.2 | V567 I571 G578 L582 V594 F595 I597 C620 | V567-V569 HydrophobicContact CG1-CG2 3.83Å; V569-I571 HydrophobicContact CG1-CG2 4.09Å; V569-I571 PolarHBondContact O-N 3.23Å; V569-G578 WeakPolarHBondContact CG1-O 3.17Å; V569-L582 HydrophobicContact CB-CB 4.44Å; V569-L582 HydrophobicContact CB-CD1 3.79Å; V569-L582 HydrophobicContact CG1-CB 4.29Å; V569-L582 HydrophobicContact CG1-CD1 4.48Å; V569-L582 HydrophobicContact CG2-CB 4.4Å; V569-L582 HydrophobicContact CG2-CD1 3.8Å; V569-V594 HydrophobicContact CG2-CG1 4.43Å; V569-F595 PolarHBondContact N-O 3.37Å; V569-I597 PolarHBondContact O-N 2.91Å; V569-I597 VanDerWaalsContact O-N 3.11Å; V569-C620 HydrophobicContact CB-CB 4.35Å; V569-C620 HydrophobicContact CG1-CB 4.12Å; V569-C620 HydrophobicContact CG2-CB 4.2Å |
| 570 | N | 91.6 | Very high | 85.6 | Confident | 18 Ų | 18 | 50 Ų | 50 | 10% | 0.096 | 26% | 0.261 | C | S | . | . | trans | -85.5 | 95.1 | 167.5 | -174.5 | -26.8 | 0 | 0 | 0 | 109.5 | R572 S573 I597 I598 C620 T625 | N570-R572 PolarHBondContact O-N 2.7Å; N570-R572 PolarHBondContact OD1-N 2.89Å; N570-R572 VanDerWaalsContact OD1-N 3.16Å; N570-S573 VanDerWaalsContact CG-OG 3.27Å; N570-S573 PolarHBondContact ND2-OG 3.15Å; N570-S573 WeakPolarHBondContact O-CB 3.31Å; N570-S573 PolarHBondContact O-N 3.32Å; N570-S573 PolarHBondContact OD1-N 3.42Å; N570-I597 HydrophobicContact CB-CD1 4.01Å; N570-I597 HydrophobicContact CB-CG1 4.14Å; N570-I598 WeakPolarHBondContact OD1-CD1 3.42Å; N570-C620 WeakPolarHBondContact CB-O 3.43Å; N570-C620 PolarHBondContact N-O 3.1Å; N570-T625 HydrophobicContact CB-CG2 3.95Å; N570-T625 PolarHBondContact ND2-OG1 3.46Å | ||
| 571 | I | 84.9 | Confident | 85.6 | Confident | 39 Ų | 39 | 42.3 Ų | 42.3 | 20% | 0.2 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -19.2 | -176.3 | 64.5 | 165.8 | 0 | 0 | 0 | 114.2 | V569 S573 L582 D596 I598 | V569-I571 HydrophobicContact CG1-CG2 4.09Å; V569-I571 PolarHBondContact O-N 3.23Å; I571-S573 VanDerWaalsContact C-N 3.31Å; I571-L582 HydrophobicContact CG2-CD2 4.49Å; I571-D596 VanDerWaalsContact CD1-OD2 3.28Å; I571-D596 WeakPolarHBondContact CD1-OD2 3.47Å; I571-I598 HydrophobicContact CG1-CB 4.08Å; I571-I598 HydrophobicContact CG1-CG1 3.77Å |
| 572 | R | 79.4 | Confident | 85.7 | Confident | 191 Ų | 191 | 37.6 Ų | 37.6 | 72% | 0.721 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -17 | 175.2 | -71 | -176.4 | 179.4 | -176.4 | -0 | 112.5 | N570 I598 | N570-R572 PolarHBondContact O-N 2.7Å; N570-R572 PolarHBondContact OD1-N 2.89Å; N570-R572 VanDerWaalsContact OD1-N 3.16Å; R572-I598 HydrophobicContact CB-CD1 4.23Å; R572-I598 HydrophobicContact CB-CG1 4.46Å; R572-I598 HydrophobicContact CG-CD1 4.03Å; R572-I598 HydrophobicContact CG-CG1 4.06Å; R572-I598 HydrophobicContact CG-CG2 4.49Å |
| 573 | S | 71.9 | Confident | 85.5 | Confident | 19 Ų | 19 | 38.3 Ų | 38.3 | 13% | 0.133 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -77.4 | 140.1 | 176 | -67.9 | 0 | 0 | 0 | 0 | 111.4 | N570 I571 | N570-S573 VanDerWaalsContact CG-OG 3.27Å; N570-S573 PolarHBondContact ND2-OG 3.15Å; N570-S573 WeakPolarHBondContact O-CB 3.31Å; N570-S573 PolarHBondContact O-N 3.32Å; N570-S573 PolarHBondContact OD1-N 3.42Å; I571-S573 VanDerWaalsContact C-N 3.31Å |
| 574 | G | 60.9 | Low | 85.3 | Confident | 14 Ų | 14 | 37.3 Ų | 37.3 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 28.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | Q577 L652 | G574-Q577 WeakPolarHBondContact O-CG 3.37Å; G574-L652 WeakPolarHBondContact CA-O 3.46Å; G574-L652 PolarHBondContact N-O 2.98Å |
| 575 | G | 63.7 | Low | 85.2 | Confident | 40 Ų | 40 | 37.3 Ų | 37.3 | 41% | 0.412 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 42.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q577 N758 | G575-Q577 PolarHBondContact O-N 2.79Å; G575-N758 WeakPolarHBondContact CA-O 3.37Å; G575-N758 PolarHBondContact N-O 3.43Å |
| 576 | C | 62.9 | Low | 85 | Confident | 92 Ų | 92 | 37.5 Ų | 37.5 | 62% | 0.622 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 10.6 | 178.2 | -53 | 0 | 0 | 0 | 0 | 115.6 | G578 | C576-G578 PolarHBondContact O-N 3.24Š|
| 577 | Q | 71.7 | Confident | 84.9 | Confident | 59 Ų | 59 | 38.9 Ų | 38.9 | 28% | 0.276 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.7 | -21.2 | 172.1 | -67 | -177.4 | -9.3 | 0 | 0 | 112.9 | G574 G575 F579 E580 L581 L652 Y668 | G574-Q577 WeakPolarHBondContact O-CG 3.37Å; G575-Q577 PolarHBondContact O-N 2.79Å; Q577-F579 VanDerWaalsContact C-N 3.27Å; Q577-F579 PolarHBondContact O-N 3.44Å; Q577-E580 PolarHBondContact O-N 3.4Å; Q577-L581 PolarHBondContact O-N 3.23Å; Q577-L652 HydrophobicContact CB-CD2 4.4Å; Q577-Y668 PolarHBondContact OE1-O 3.33Å |
| 578 | G | 77.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.8 | -30.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V569 C576 L581 L582 | V569-G578 WeakPolarHBondContact CG1-O 3.17Å; C576-G578 PolarHBondContact O-N 3.24Å; G578-L581 PolarHBondContact O-N 2.98Å; G578-L582 VanDerWaalsContact O-CB 3.3Å; G578-L582 WeakPolarHBondContact O-CB 3.2Å; G578-L582 PolarHBondContact O-N 3.12Å |
| 579 | F | 84 | Confident | 84.8 | Confident | 103 Ų | 103 | 40.2 Ų | 40.2 | 45% | 0.452 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.6 | -44.3 | 177.5 | -174.6 | -95.7 | 0 | 0 | 0 | 111.9 | Q577 L582 R583 | Q577-F579 VanDerWaalsContact C-N 3.27Å; Q577-F579 PolarHBondContact O-N 3.44Å; F579-L582 PolarHBondContact O-N 2.87Å; F579-R583 WeakPolarHBondContact O-CB 3.25Å; F579-R583 PolarHBondContact O-N 2.86Å; F579-R583 VanDerWaalsContact O-N 3.16Å |
| 580 | E | 86.1 | Confident | 84.9 | Confident | 139 Ų | 139 | 40.2 Ų | 40.2 | 65% | 0.65 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -64.7 | -42.4 | 177.2 | -173.9 | 170.9 | -164.2 | 0 | 0 | 111.2 | Q577 R583 C584 | Q577-E580 PolarHBondContact O-N 3.4Å; E580-R583 PolarHBondContact O-N 3.47Å; E580-C584 WeakPolarHBondContact O-CB 3.28Å; E580-C584 PolarHBondContact O-N 3.32Å; E580-C584 PolarHBondContact O-SG 3.31Å |
| 581 | L | 90.7 | Very high | 85.1 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -46.8 | 175.8 | -82.6 | 170.2 | 0 | 0 | 0 | 113.2 | Q577 G578 R583 C584 F585 L650 L652 Y668 P674 | Q577-L581 PolarHBondContact O-N 3.23Å; G578-L581 PolarHBondContact O-N 2.98Å; L581-R583 PolarHBondContact O-N 3.47Å; L581-C584 PolarHBondContact O-N 2.98Å; L581-F585 HydrophobicContact CB-CD2 4.42Å; L581-F585 HydrophobicContact CB-CE2 4.16Å; L581-F585 HydrophobicContact CD2-CE2 3.98Å; L581-F585 HydrophobicContact CD2-CZ 4.06Å; L581-F585 WeakPolarHBondContact O-CD2 3.34Å; L581-F585 WeakPolarHBondContact O-CG 3.35Å; L581-F585 PolarHBondContact O-N 3.43Å; L581-L650 HydrophobicContact CD1-CD2 3.64Å; L581-L650 HydrophobicContact CD2-CD2 4.06Å; L581-L650 HydrophobicContact CG-CD2 4.47Å; L581-L652 HydrophobicContact CD1-CD1 3.9Å; L581-L652 HydrophobicContact CD1-CD2 3.6Å; L581-L652 HydrophobicContact CD1-CG 4.19Å; L581-Y668 HydrophobicContact CD1-CD1 3.78Å; L581-Y668 HydrophobicContact CD1-CE1 3.61Å; L581-Y668 HydrophobicContact CD1-CG 4.46Å; L581-Y668 HydrophobicContact CD2-CE1 3.97Å; L581-Y668 HydrophobicContact CD2-CE2 4.38Å; L581-Y668 HydrophobicContact CG-CE1 3.85Å; L581-P674 HydrophobicContact CD2-CG 4.31Å |
| 582 | L | 92.1 | Very high | 85.7 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -50.6 | -47.5 | 175.5 | -177.3 | 83.8 | 0 | 0 | 0 | 109.8 | V569 I571 G578 F579 F585 R586 V594 D596 | V569-L582 HydrophobicContact CB-CB 4.44Å; V569-L582 HydrophobicContact CB-CD1 3.79Å; V569-L582 HydrophobicContact CG1-CB 4.29Å; V569-L582 HydrophobicContact CG1-CD1 4.48Å; V569-L582 HydrophobicContact CG2-CB 4.4Å; V569-L582 HydrophobicContact CG2-CD1 3.8Å; I571-L582 HydrophobicContact CG2-CD2 4.49Å; G578-L582 VanDerWaalsContact O-CB 3.3Å; G578-L582 WeakPolarHBondContact O-CB 3.2Å; G578-L582 PolarHBondContact O-N 3.12Å; F579-L582 PolarHBondContact O-N 2.87Å; L582-F585 PolarHBondContact O-N 3.12Å; L582-R586 WeakPolarHBondContact O-CG 3.33Å; L582-R586 PolarHBondContact O-N 3.09Å; L582-V594 HydrophobicContact CD1-CG1 3.66Å; L582-V594 HydrophobicContact CG-CG1 4.26Å; L582-D596 HydrophobicContact CD1-CB 4.16Å; L582-D596 HydrophobicContact CD2-CB 4.23Å |
| 583 | R | 91.5 | Very high | 86.5 | Confident | 24 Ų | 24 | 28.8 Ų | 28.8 | 9% | 0.091 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.9 | -41.8 | -179.5 | -170.7 | 172.2 | 175.7 | -139 | -12.9 | 113.6 | E125 C126 E127 F579 E580 L581 F585 R586 K587 | E125-R583 IonicContact OE1-CZ 2.84Å; E125-R583 IonicContact OE1-NH1 3.52Å; E125-R583 PolarHBondContact OE1-NH1 3.1Å; E125-R583 IonicContact OE1-NH2 2.85Å; E125-R583 IonicContact OE2-CZ 2.9Å; E125-R583 IonicContact OE2-NH1 3.26Å; E125-R583 PolarHBondContact OE2-NH1 3.33Å; E125-R583 VanDerWaalsContact OE2-NH1 3.1Å; E125-R583 IonicContact OE2-NH2 3.91Å; E125-R583 PolarHBondContact OE2-NH2 2.93Å; C126-R583 PolarHBondContact O-NH2 3.45Å; E127-R583 HydrophobicContact CB-CG 4.24Å; E127-R583 HydrophobicContact CG-CG 4.4Å; F579-R583 WeakPolarHBondContact O-CB 3.25Å; F579-R583 PolarHBondContact O-N 2.86Å; F579-R583 VanDerWaalsContact O-N 3.16Å; E580-R583 PolarHBondContact O-N 3.47Å; L581-R583 PolarHBondContact O-N 3.47Å; R583-F585 VanDerWaalsContact C-N 3.35Å; R583-R586 PolarHBondContact O-N 2.96Å; R583-K587 WeakPolarHBondContact O-CG 3.3Å; R583-K587 PolarHBondContact O-N 3.17Å |
| 584 | C | 93.7 | Very high | 87.7 | Confident | 38 Ų | 38 | 28.1 Ų | 28.1 | 26% | 0.257 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 174.3 | -74.4 | 0 | 0 | 0 | 0 | 111.5 | E580 L581 K587 L588 P674 | E580-C584 WeakPolarHBondContact O-CB 3.28Å; E580-C584 PolarHBondContact O-N 3.32Å; E580-C584 PolarHBondContact O-SG 3.31Å; L581-C584 PolarHBondContact O-N 2.98Å; C584-K587 PolarHBondContact O-N 2.84Å; C584-L588 WeakPolarHBondContact O-CG 3.2Å; C584-L588 PolarHBondContact O-N 3.49Å; C584-L588 VanDerWaalsContact O-N 3.08Å; C584-P674 HydrophobicContact CB-CB 3.95Å; C584-P674 HydrophobicContact CB-CG 3.74Å |
| 585 | F | 96.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.6 | -39.2 | 176.7 | -67.4 | -46.6 | 0 | 0 | 0 | 112 | V567 L581 L582 R583 K587 L588 L589 V594 L618 L650 P674 I677 L678 | V567-F585 HydrophobicContact CG1-CD2 3.74Å; V567-F585 HydrophobicContact CG1-CE2 4.18Å; V567-F585 HydrophobicContact CG1-CG 4.24Å; L581-F585 HydrophobicContact CB-CD2 4.42Å; L581-F585 HydrophobicContact CB-CE2 4.16Å; L581-F585 HydrophobicContact CD2-CE2 3.98Å; L581-F585 HydrophobicContact CD2-CZ 4.06Å; L581-F585 WeakPolarHBondContact O-CD2 3.34Å; L581-F585 WeakPolarHBondContact O-CG 3.35Å; L581-F585 PolarHBondContact O-N 3.43Å; L582-F585 PolarHBondContact O-N 3.12Å; R583-F585 VanDerWaalsContact C-N 3.35Å; F585-K587 VanDerWaalsContact C-N 3.26Å; F585-K587 PolarHBondContact O-N 3.18Å; F585-L588 PolarHBondContact O-N 3.04Å; F585-L588 VanDerWaalsContact O-N 3.12Å; F585-L589 WeakPolarHBondContact O-CB 3.15Å; F585-L589 PolarHBondContact O-N 3.46Å; F585-V594 HydrophobicContact CB-CG1 4.04Å; F585-V594 HydrophobicContact CB-CG2 3.86Å; F585-L618 HydrophobicContact CE1-CD2 4.39Å; F585-L618 HydrophobicContact CE2-CD2 4.29Å; F585-L618 HydrophobicContact CZ-CD2 3.93Å; F585-L650 HydrophobicContact CE2-CD2 4.11Å; F585-L650 HydrophobicContact CZ-CD2 4.03Å; F585-P674 HydrophobicContact CD1-CB 4.47Å; F585-P674 HydrophobicContact CE1-CB 4.1Å; F585-I677 HydrophobicContact CZ-CG2 4.37Å; F585-L678 HydrophobicContact CD1-CD1 4.09Å; F585-L678 HydrophobicContact CD1-CD2 3.9Å; F585-L678 HydrophobicContact CD1-CG 4.06Å; F585-L678 HydrophobicContact CE1-CD1 4.39Å; F585-L678 HydrophobicContact CE1-CD2 3.77Å; F585-L678 HydrophobicContact CE1-CG 3.9Å |
| 586 | R | 95.8 | Very high | 90.8 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.6 | -36.5 | 172.8 | -79.2 | 174.5 | 176.5 | 169.6 | -5.2 | 112.7 | E127 R146 L242 L582 R583 L589 P591 V594 | E127-R586 WeakPolarHBondContact O-CB 3.43Å; E127-R586 IonicContact OE2-NH1 2.68Å; R146-R586 PolarHBondContact NH2-O 2.75Å; L242-R586 PolarHBondContact O-NH2 3.11Å; L582-R586 WeakPolarHBondContact O-CG 3.33Å; L582-R586 PolarHBondContact O-N 3.09Å; R583-R586 PolarHBondContact O-N 2.96Å; R586-L589 VanDerWaalsContact O-O 3.04Å; R586-P591 HydrophobicContact CB-CB 4.41Å; R586-P591 HydrophobicContact CG-CB 4.24Å; R586-V594 HydrophobicContact CG-CB 3.84Å; R586-V594 HydrophobicContact CG-CG1 4.02Å; R586-V594 HydrophobicContact CG-CG2 4.27Å |
| 587 | K | 94.9 | Very high | 92.2 | Very high | 29 Ų | 29 | 23.2 Ų | 23.2 | 13% | 0.126 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -74.3 | -27.4 | 175.8 | -69.5 | 175.8 | -179.4 | -179.9 | 0 | 113.7 | E125 C126 E130 R146 R583 C584 F585 | E125-K587 IonicContact OE2-NZ 3.81Å; C126-K587 VanDerWaalsContact O-CE 3.25Å; C126-K587 WeakPolarHBondContact O-CE 3.25Å; E130-K587 HydrophobicContact CG-CD 4.31Å; R146-K587 PolarHBondContact NH1-O 3.37Å; R146-K587 VanDerWaalsContact NH1-O 3.1Å; R146-K587 PolarHBondContact NH2-O 2.87Å; R583-K587 WeakPolarHBondContact O-CG 3.3Å; R583-K587 PolarHBondContact O-N 3.17Å; C584-K587 PolarHBondContact O-N 2.84Å; F585-K587 VanDerWaalsContact C-N 3.26Å; F585-K587 PolarHBondContact O-N 3.18Å |
| 588 | L | 97.1 | Very high | 92.9 | Very high | 27 Ų | 27 | 22.5 Ų | 22.5 | 14% | 0.141 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -91.8 | -32.9 | -176.7 | -70.9 | 172.9 | 0 | 0 | 0 | 113.7 | L219 M223 C584 F585 P674 L675 L678 | L219-L588 HydrophobicContact CD1-CB 4.1Å; L219-L588 WeakPolarHBondContact CD1-O 3.27Å; M223-L588 WeakPolarHBondContact CE-O 3.41Å; C584-L588 WeakPolarHBondContact O-CG 3.2Å; C584-L588 PolarHBondContact O-N 3.49Å; C584-L588 VanDerWaalsContact O-N 3.08Å; F585-L588 PolarHBondContact O-N 3.04Å; F585-L588 VanDerWaalsContact O-N 3.12Å; L588-P674 HydrophobicContact CD1-CB 3.77Å; L588-L675 HydrophobicContact CD1-CB 4.19Å; L588-L675 HydrophobicContact CD2-CB 4.4Å; L588-L675 HydrophobicContact CD2-CD1 4.37Å; L588-L678 HydrophobicContact CB-CD1 3.93Å; L588-L678 HydrophobicContact CD1-CD1 4.04Å |
| 589 | L | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -109.3 | -179.7 | -179.1 | -64.1 | 173.8 | 0 | 0 | 0 | 110.4 | R146 L219 I222 M223 L565 V567 F585 R586 Q593 V594 L678 | R146-L589 PolarHBondContact NH1-O 3.08Å; R146-L589 PolarHBondContact NH2-O 2.98Å; R146-L589 VanDerWaalsContact NH2-O 3.08Å; L219-L589 HydrophobicContact CD1-CD2 4.18Å; I222-L589 HydrophobicContact CD1-CD2 4.28Å; I222-L589 HydrophobicContact CG1-CD2 4.47Å; M223-L589 HydrophobicContact CE-CD2 4.22Å; L565-L589 HydrophobicContact CD2-CD1 4.24Å; V567-L589 HydrophobicContact CG2-CD1 3.72Å; F585-L589 WeakPolarHBondContact O-CB 3.15Å; F585-L589 PolarHBondContact O-N 3.46Å; R586-L589 VanDerWaalsContact O-O 3.04Å; L589-Q593 HydrophobicContact CB-CB 4.43Å; L589-V594 HydrophobicContact CD1-CG2 4.49Å; L589-L678 HydrophobicContact CD1-CD1 4.14Å; L589-L678 HydrophobicContact CD1-CD2 4.07Å; L589-L678 HydrophobicContact CD2-CD1 4.06Å; L589-L678 HydrophobicContact CG-CD1 3.92Å |
| 590 | N | 97.5 | Very high | 93 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -64.3 | 127.1 | 161.8 | -175 | -35.4 | 0 | 0 | 0 | 107.8 | A148 W197 M223 L224 F592 Q593 | A148-N590 PolarHBondContact O-ND2 3.41Å; W197-N590 HydrophobicContact CH2-CB 4.43Å; W197-N590 HydrophobicContact CZ3-CB 4.24Å; M223-N590 HydrophobicContact SD-CB 4.26Å; M223-N590 PolarHBondContact SD-N 2.83Å; M223-N590 VanDerWaalsContact SD-N 3.41Å; L224-N590 HydrophobicContact CB-CB 4.25Å; L224-N590 WeakPolarHBondContact O-CB 3.44Å; L224-N590 PolarHBondContact O-ND2 2.79Å; N590-F592 PolarHBondContact O-N 3.27Å; N590-F592 PolarHBondContact OD1-N 3.46Å; N590-F592 VanDerWaalsContact OD1-N 3.14Å; N590-Q593 HydrophobicContact CB-CG 4.12Å; N590-Q593 VanDerWaalsContact N-OE1 3.14Å; N590-Q593 VanDerWaalsContact O-CB 3.23Å; N590-Q593 WeakPolarHBondContact O-CB 3.46Å; N590-Q593 PolarHBondContact O-N 2.92Å | ||
| 591 | P | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.071 | C | C | . | . | G | 310 helix | trans | -58.9 | -24.3 | -175.4 | 25.7 | -38 | 0 | 0 | 0 | 113.6 | V128 A148 L242 R586 Q593 V594 | V128-P591 HydrophobicContact CG1-CB 4.1Å; V128-P591 HydrophobicContact CG1-CG 3.78Å; V128-P591 HydrophobicContact CG2-CB 4.32Å; A148-P591 HydrophobicContact CB-CG 3.58Å; L242-P591 HydrophobicContact CD1-CB 3.96Å; L242-P591 HydrophobicContact CD1-CG 4.3Å; L242-P591 HydrophobicContact CD2-CB 3.87Å; L242-P591 HydrophobicContact CD2-CG 4.33Å; R586-P591 HydrophobicContact CB-CB 4.41Å; R586-P591 HydrophobicContact CG-CB 4.24Å; P591-Q593 PolarHBondContact O-N 3.49Å; P591-V594 PolarHBondContact O-N 2.88Å; P591-V594 VanDerWaalsContact O-N 3.16Å |
| 592 | F | 95.6 | Very high | 93.5 | Very high | 9 Ų | 9 | 13 Ų | 13 | 4% | 0.039 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -76.4 | -0.1 | 174.6 | -67.6 | -73.2 | 0 | 0 | 0 | 114.4 | A148 L229 T231 M238 L241 L242 P551 N590 F595 | A148-F592 HydrophobicContact CB-CD2 3.83Å; A148-F592 HydrophobicContact CB-CE2 3.81Å; L229-F592 HydrophobicContact CD2-CB 3.57Å; L229-F592 HydrophobicContact CD2-CD1 4.46Å; L229-F592 HydrophobicContact CD2-CD2 3.19Å; L229-F592 HydrophobicContact CD2-CE2 3.96Å; L229-F592 HydrophobicContact CD2-CG 3.5Å; L229-F592 VanDerWaalsContact CD2-CG 3.5Å; T231-F592 HydrophobicContact CG2-CD2 4.39Å; T231-F592 HydrophobicContact CG2-CE1 4.01Å; T231-F592 HydrophobicContact CG2-CE2 3.51Å; T231-F592 HydrophobicContact CG2-CZ 3.29Å; M238-F592 HydrophobicContact CE-CE2 4.24Å; M238-F592 HydrophobicContact CE-CZ 4.22Å; L241-F592 HydrophobicContact CB-CE1 4.32Å; L241-F592 HydrophobicContact CB-CZ 4.39Å; L242-F592 HydrophobicContact CD2-CD1 3.68Å; L242-F592 HydrophobicContact CD2-CD2 4.36Å; L242-F592 HydrophobicContact CD2-CE1 3.52Å; L242-F592 HydrophobicContact CD2-CE2 4.22Å; L242-F592 HydrophobicContact CD2-CG 4.11Å; L242-F592 HydrophobicContact CD2-CZ 3.8Å; L242-F592 HydrophobicContact CG-CE1 4.34Å; L242-F592 HydrophobicContact CG-CZ 4.37Å; P551-F592 HydrophobicContact CB-CD1 4.11Å; P551-F592 HydrophobicContact CB-CE1 4.35Å; P551-F592 HydrophobicContact CG-CB 4.47Å; P551-F592 HydrophobicContact CG-CD1 3.73Å; P551-F592 HydrophobicContact CG-CE1 4.3Å; P551-F592 HydrophobicContact CG-CG 4.32Å; N590-F592 PolarHBondContact O-N 3.27Å; N590-F592 PolarHBondContact OD1-N 3.46Å; N590-F592 VanDerWaalsContact OD1-N 3.14Å; F592-F595 VanDerWaalsContact O-CE2 3.23Å; F592-F595 WeakPolarHBondContact O-CE2 3.27Å |
| 593 | Q | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -85.5 | -9.8 | 166.4 | -67.8 | -179.8 | -100.1 | 0 | 0 | 112.5 | I222 L224 L565 V567 L589 N590 P591 F609 | I222-Q593 PolarHBondContact O-NE2 3.48Å; L224-Q593 HydrophobicContact CB-CG 3.5Å; L224-Q593 HydrophobicContact CD2-CG 4.09Å; L224-Q593 HydrophobicContact CG-CG 4.48Å; L224-Q593 VanDerWaalsContact N-CD 3.27Å; L565-Q593 VanDerWaalsContact O-CB 3.3Å; L565-Q593 WeakPolarHBondContact O-CB 3.41Å; L565-Q593 WeakPolarHBondContact O-CG 2.93Å; L565-Q593 PolarHBondContact O-NE2 2.88Å; V567-Q593 PolarHBondContact N-O 3.12Å; L589-Q593 HydrophobicContact CB-CB 4.43Å; N590-Q593 HydrophobicContact CB-CG 4.12Å; N590-Q593 VanDerWaalsContact N-OE1 3.14Å; N590-Q593 VanDerWaalsContact O-CB 3.23Å; N590-Q593 WeakPolarHBondContact O-CB 3.46Å; N590-Q593 PolarHBondContact O-N 2.92Å; P591-Q593 PolarHBondContact O-N 3.49Å; Q593-F609 HydrophobicContact CG-CZ 4.46Å |
| 594 | V | 97.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 11.8 Ų | 11.8 | 2% | 0.024 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 110.1 | -164.6 | -172.3 | 0 | 0 | 0 | 0 | 111.6 | V567 V569 L582 F585 R586 L589 P591 | V567-V594 HydrophobicContact CB-CB 4.48Å; V567-V594 HydrophobicContact CB-CG1 4.32Å; V567-V594 HydrophobicContact CB-CG2 4.2Å; V567-V594 HydrophobicContact CG1-CG1 4.36Å; V567-V594 HydrophobicContact CG2-CG2 4.37Å; V569-V594 HydrophobicContact CG2-CG1 4.43Å; L582-V594 HydrophobicContact CD1-CG1 3.66Å; L582-V594 HydrophobicContact CG-CG1 4.26Å; F585-V594 HydrophobicContact CB-CG1 4.04Å; F585-V594 HydrophobicContact CB-CG2 3.86Å; R586-V594 HydrophobicContact CG-CB 3.84Å; R586-V594 HydrophobicContact CG-CG1 4.02Å; R586-V594 HydrophobicContact CG-CG2 4.27Å; L589-V594 HydrophobicContact CD1-CG2 4.49Å; P591-V594 PolarHBondContact O-N 2.88Å; P591-V594 VanDerWaalsContact O-N 3.16Å |
| 595 | F | 95.5 | Very high | 93.9 | Very high | 29 Ų | 29 | 10 Ų | 10 | 13% | 0.127 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 136.9 | -174.8 | -68.7 | -102.6 | 0 | 0 | 0 | 112 | L566 V567 L568 V569 F592 A605 V608 F609 | L566-F595 HydrophobicContact CD1-CD2 3.48Å; L566-F595 VanDerWaalsContact CD1-CD2 3.48Å; L566-F595 HydrophobicContact CD1-CE2 3.7Å; V567-F595 PolarHBondContact O-N 2.78Å; L568-F595 HydrophobicContact CD2-CB 4.06Å; V569-F595 PolarHBondContact N-O 3.37Å; F592-F595 VanDerWaalsContact O-CE2 3.23Å; F592-F595 WeakPolarHBondContact O-CE2 3.27Å; F595-A605 HydrophobicContact CB-CB 4.13Å; F595-A605 HydrophobicContact CD1-CB 3.7Å; F595-A605 HydrophobicContact CD2-CB 3.59Å; F595-A605 HydrophobicContact CE1-CB 3.92Å; F595-A605 HydrophobicContact CE2-CB 3.82Å; F595-A605 HydrophobicContact CG-CB 3.52Å; F595-A605 HydrophobicContact CZ-CB 3.98Å; F595-V608 HydrophobicContact CZ-CB 4.41Å; F595-V608 HydrophobicContact CZ-CG2 4.26Å; F595-F609 HydrophobicContact CE2-CE2 4.48Å |
| 596 | D | 93.1 | Very high | 93.9 | Very high | 14 Ų | 14 | 10 Ų | 10 | 8% | 0.075 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 105.1 | 164.9 | 175.5 | 8.4 | 0 | 0 | 0 | 108.9 | I571 L582 I598 N599 | I571-D596 VanDerWaalsContact CD1-OD2 3.28Å; I571-D596 WeakPolarHBondContact CD1-OD2 3.47Å; L582-D596 HydrophobicContact CD1-CB 4.16Å; L582-D596 HydrophobicContact CD2-CB 4.23Å; D596-I598 PolarHBondContact O-N 2.79Å; D596-I598 WeakPolarHBondContact OD1-CB 3.44Å; D596-I598 PolarHBondContact OD1-N 3.24Å; D596-N599 PolarHBondContact O-N 3.2Å; D596-N599 VanDerWaalsContact O-N 3.07Å; D596-N599 PolarHBondContact OD2-ND2 2.91Å |
| 597 | I | 91.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -7.7 | -176.7 | 66.5 | 175.9 | 0 | 0 | 0 | 113.2 | L568 V569 N570 N599 G601 P602 T625 W628 | L568-I597 HydrophobicContact CB-CG2 3.75Å; L568-I597 HydrophobicContact CD2-CG2 3.83Å; L568-I597 HydrophobicContact CG-CG2 4.26Å; V569-I597 PolarHBondContact O-N 2.91Å; V569-I597 VanDerWaalsContact O-N 3.11Å; N570-I597 HydrophobicContact CB-CD1 4.01Å; N570-I597 HydrophobicContact CB-CG1 4.14Å; I597-N599 VanDerWaalsContact C-N 3.29Å; I597-G601 WeakPolarHBondContact O-CA 3.14Å; I597-G601 PolarHBondContact O-N 3.44Å; I597-P602 HydrophobicContact CG2-CG 4.33Å; I597-T625 HydrophobicContact CD1-CG2 3.53Å; I597-W628 HydrophobicContact CB-CZ3 4.24Å; I597-W628 HydrophobicContact CD1-CE3 3.92Å; I597-W628 HydrophobicContact CD1-CZ3 3.71Å; I597-W628 HydrophobicContact CG1-CZ3 3.94Å; I597-W628 WeakPolarHBondContact O-CH2 3.01Å |
| 598 | I | 86.6 | Confident | 93.8 | Very high | 45 Ų | 45 | 9.7 Ų | 9.7 | 23% | 0.231 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -29 | 169.2 | -59.9 | -60.3 | 0 | 0 | 0 | 110.5 | N570 I571 R572 D596 G600 | N570-I598 WeakPolarHBondContact OD1-CD1 3.42Å; I571-I598 HydrophobicContact CG1-CB 4.08Å; I571-I598 HydrophobicContact CG1-CG1 3.77Å; R572-I598 HydrophobicContact CB-CD1 4.23Å; R572-I598 HydrophobicContact CB-CG1 4.46Å; R572-I598 HydrophobicContact CG-CD1 4.03Å; R572-I598 HydrophobicContact CG-CG1 4.06Å; R572-I598 HydrophobicContact CG-CG2 4.49Å; D596-I598 PolarHBondContact O-N 2.79Å; D596-I598 WeakPolarHBondContact OD1-CB 3.44Å; D596-I598 PolarHBondContact OD1-N 3.24Å; I598-G600 PolarHBondContact O-N 3.11Å |
| 599 | N | 84.2 | Confident | 93.8 | Very high | 25 Ų | 25 | 8.4 Ų | 8.4 | 13% | 0.134 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 70.5 | 175.1 | -60.1 | -37.7 | 0 | 0 | 0 | 110 | K245 D596 I597 | K245-N599 PolarHBondContact NZ-OD1 3.5Å; D596-N599 PolarHBondContact O-N 3.2Å; D596-N599 VanDerWaalsContact O-N 3.07Å; D596-N599 PolarHBondContact OD2-ND2 2.91Å; I597-N599 VanDerWaalsContact C-N 3.29Å |
| 600 | G | 80.6 | Confident | 93.7 | Very high | 7 Ų | 7 | 10.9 Ų | 10.9 | 7% | 0.072 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 114.5 | -3 | 169 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y477 I598 | Y477-G600 VanDerWaalsContact CE1-O 3.32Å; Y477-G600 WeakPolarHBondContact CE1-O 3.32Å; Y477-G600 VanDerWaalsContact CZ-O 3.27Å; Y477-G600 PolarHBondContact OH-O 2.96Å; I598-G600 PolarHBondContact O-N 3.11Å |
| 601 | G | 91 | Very high | 93.6 | Very high | 11 Ų | 11 | 14.1 Ų | 14.1 | 11% | 0.113 | 7% | 0.072 | C | C | . | . | trans | 75.6 | 177.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | I597 L603 | I597-G601 WeakPolarHBondContact O-CA 3.14Å; I597-G601 PolarHBondContact O-N 3.44Å; G601-L603 VanDerWaalsContact C-N 3.3Å; G601-L603 PolarHBondContact O-N 3.48Å | ||
| 602 | P | 96 | Very high | 93.6 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.006 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66 | -28 | -179.7 | -23.5 | 34.3 | 0 | 0 | 0 | 114.3 | L568 I597 A604 A605 L606 W628 V629 C632 | L568-P602 HydrophobicContact CD1-CB 4.17Å; I597-P602 HydrophobicContact CG2-CG 4.33Å; P602-A604 VanDerWaalsContact C-N 3.33Å; P602-A604 PolarHBondContact O-N 3.02Å; P602-A605 WeakPolarHBondContact O-CB 3.38Å; P602-A605 PolarHBondContact O-N 2.85Å; P602-L606 HydrophobicContact CB-CD1 4.34Å; P602-L606 WeakPolarHBondContact O-CG 3.36Å; P602-L606 PolarHBondContact O-N 3.42Å; P602-W628 VanDerWaalsContact CD-CE2 3.41Å; P602-W628 HydrophobicContact CG-CD2 4.07Å; P602-W628 HydrophobicContact CG-CE3 4.35Å; P602-W628 HydrophobicContact CG-CZ2 4.33Å; P602-V629 HydrophobicContact CB-CG2 4.31Å; P602-V629 HydrophobicContact CG-CG2 3.86Å; P602-C632 HydrophobicContact CB-CB 4.07Å; P602-C632 HydrophobicContact CG-CB 4.48Å |
| 603 | L | 96.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.016 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.7 | -37.4 | -169.2 | -68.1 | 167.2 | 0 | 0 | 0 | 113.5 | Y477 Y512 Y515 G601 A605 L606 Y607 C632 V636 | Y477-L603 HydrophobicContact CE2-CB 4.22Å; Y512-L603 HydrophobicContact CD1-CD1 4.36Å; Y512-L603 HydrophobicContact CD1-CD2 4.13Å; Y512-L603 HydrophobicContact CD2-CB 4.13Å; Y512-L603 HydrophobicContact CD2-CD1 3.82Å; Y512-L603 HydrophobicContact CD2-CD2 4.43Å; Y512-L603 HydrophobicContact CD2-CG 4.35Å; Y512-L603 HydrophobicContact CE1-CD2 4.21Å; Y512-L603 HydrophobicContact CE2-CB 4.09Å; Y512-L603 HydrophobicContact CE2-CD2 4.47Å; Y512-L603 HydrophobicContact CG-CD1 3.71Å; Y512-L603 HydrophobicContact CG-CD2 4.25Å; Y512-L603 HydrophobicContact CG-CG 4.44Å; Y515-L603 HydrophobicContact CD1-CD1 4.27Å; Y515-L603 HydrophobicContact CD2-CD1 3.61Å; Y515-L603 HydrophobicContact CE2-CD1 4.17Å; Y515-L603 HydrophobicContact CG-CD1 3.65Å; G601-L603 VanDerWaalsContact C-N 3.3Å; G601-L603 PolarHBondContact O-N 3.48Å; L603-A605 VanDerWaalsContact C-N 3.32Å; L603-A605 PolarHBondContact O-N 3.4Å; L603-L606 PolarHBondContact O-N 3.31Å; L603-Y607 WeakPolarHBondContact O-CB 3.43Å; L603-Y607 PolarHBondContact O-N 3.35Å; L603-C632 HydrophobicContact CD2-CB 3.84Å; L603-C632 HydrophobicContact CG-CB 4.28Å; L603-V636 HydrophobicContact CD2-CG1 3.59Å |
| 604 | A | 94.2 | Very high | 93.5 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.3 | -43.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y477 L548 L550 P602 Y607 V608 | Y477-A604 HydrophobicContact CD1-CB 3.87Å; Y477-A604 HydrophobicContact CD2-CB 3.83Å; Y477-A604 HydrophobicContact CE1-CB 3.95Å; Y477-A604 HydrophobicContact CE2-CB 3.98Å; Y477-A604 HydrophobicContact CG-CB 3.8Å; L548-A604 HydrophobicContact CD1-CB 3.79Å; L550-A604 HydrophobicContact CD2-CB 4.3Å; P602-A604 VanDerWaalsContact C-N 3.33Å; P602-A604 PolarHBondContact O-N 3.02Å; A604-Y607 PolarHBondContact O-N 3.44Å; A604-V608 WeakPolarHBondContact O-CG2 3.47Å; A604-V608 PolarHBondContact O-N 2.61Å; A604-V608 VanDerWaalsContact O-N 3.15Å |
| 605 | A | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.6 | -41 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L566 L568 F595 P602 L603 Y607 V608 F609 | L566-A605 HydrophobicContact CD1-CB 3.77Å; L566-A605 HydrophobicContact CD2-CB 4.02Å; L566-A605 HydrophobicContact CG-CB 4.48Å; L568-A605 HydrophobicContact CD2-CB 3.63Å; F595-A605 HydrophobicContact CB-CB 4.13Å; F595-A605 HydrophobicContact CD1-CB 3.7Å; F595-A605 HydrophobicContact CD2-CB 3.59Å; F595-A605 HydrophobicContact CE1-CB 3.92Å; F595-A605 HydrophobicContact CE2-CB 3.82Å; F595-A605 HydrophobicContact CG-CB 3.52Å; F595-A605 HydrophobicContact CZ-CB 3.98Å; P602-A605 WeakPolarHBondContact O-CB 3.38Å; P602-A605 PolarHBondContact O-N 2.85Å; L603-A605 VanDerWaalsContact C-N 3.32Å; L603-A605 PolarHBondContact O-N 3.4Å; A605-Y607 VanDerWaalsContact C-N 3.33Å; A605-V608 PolarHBondContact O-N 2.88Å; A605-F609 PolarHBondContact O-N 3.27Å; A605-F609 VanDerWaalsContact O-N 3.13Å |
| 606 | L | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.2 | -38.9 | 175.8 | -65.3 | 176.9 | 0 | 0 | 0 | 111.6 | L566 P602 L603 V608 F609 R610 I617 C632 L633 V636 | L566-L606 HydrophobicContact CD2-CD2 4.09Å; P602-L606 HydrophobicContact CB-CD1 4.34Å; P602-L606 WeakPolarHBondContact O-CG 3.36Å; P602-L606 PolarHBondContact O-N 3.42Å; L603-L606 PolarHBondContact O-N 3.31Å; L606-V608 PolarHBondContact O-N 3.29Å; L606-F609 CarbonylContact O-C 3.58Å; L606-F609 PolarHBondContact O-N 2.77Å; L606-R610 PolarHBondContact O-N 2.98Å; L606-I617 HydrophobicContact CD2-CD1 4.14Å; L606-C632 HydrophobicContact CD1-CB 3.71Å; L606-L633 HydrophobicContact CD1-CD2 4.12Å; L606-L633 HydrophobicContact CD1-CG 4.33Å; L606-L633 HydrophobicContact CD2-CD2 3.58Å; L606-L633 HydrophobicContact CD2-CG 4.39Å; L606-L633 HydrophobicContact CG-CD2 4.5Å; L606-V636 HydrophobicContact CB-CG1 4.43Å; L606-V636 HydrophobicContact CB-CG2 4.14Å; L606-V636 HydrophobicContact CD1-CG1 4.48Å; L606-V636 HydrophobicContact CD1-CG2 3.95Å |
| 607 | Y | 94.5 | Very high | 94 | Very high | 22 Ų | 22 | 24.7 Ų | 24.7 | 9% | 0.086 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.2 | -46 | 172.3 | -179.5 | -90 | 0 | 0 | 0 | 111.3 | A475 P510 I519 L550 L603 A604 A605 F609 R610 | A475-Y607 HydrophobicContact CB-CE1 4.36Å; P510-Y607 HydrophobicContact CG-CD2 4.41Å; P510-Y607 HydrophobicContact CG-CE2 4.09Å; I519-Y607 HydrophobicContact CB-CE2 4.45Å; I519-Y607 HydrophobicContact CD1-CD1 4.28Å; I519-Y607 HydrophobicContact CD1-CD2 4.36Å; I519-Y607 HydrophobicContact CD1-CE1 4.4Å; I519-Y607 HydrophobicContact CD1-CG 4.24Å; I519-Y607 HydrophobicContact CG1-CD2 3.88Å; I519-Y607 HydrophobicContact CG1-CE1 4.42Å; I519-Y607 HydrophobicContact CG1-CE2 3.78Å; I519-Y607 HydrophobicContact CG1-CG 4.27Å; I519-Y607 HydrophobicContact CG2-CE1 4.39Å; I519-Y607 HydrophobicContact CG2-CE2 4.4Å; L550-Y607 HydrophobicContact CD1-CD1 3.35Å; L550-Y607 HydrophobicContact CD1-CE1 3.8Å; L550-Y607 HydrophobicContact CD1-CG 4.23Å; L603-Y607 WeakPolarHBondContact O-CB 3.43Å; L603-Y607 PolarHBondContact O-N 3.35Å; A604-Y607 PolarHBondContact O-N 3.44Å; A605-Y607 VanDerWaalsContact C-N 3.33Å; Y607-F609 VanDerWaalsContact C-N 3.25Å; Y607-F609 PolarHBondContact O-N 2.9Å; Y607-R610 WeakPolarHBondContact O-CB 3.49Å; Y607-R610 WeakPolarHBondContact O-CD 3.27Å; Y607-R610 WeakPolarHBondContact O-CG 3.41Å; Y607-R610 PolarHBondContact O-N 3.23Å; Y607-R610 PolarHBondContact O-NH1 3.27Å; Y607-R610 PolarHBondContact OH-NH2 2.79Å; Y607-R610 VanDerWaalsContact OH-NH2 3.15Å |
| 608 | V | 94.4 | Very high | 94.3 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 3% | 0.03 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.8 | -37.4 | 177.8 | 170.9 | 0 | 0 | 0 | 0 | 111.8 | L550 P551 I553 F595 A604 A605 L606 | L550-V608 HydrophobicContact CB-CG2 4.1Å; L550-V608 HydrophobicContact CD1-CG2 4.27Å; L550-V608 HydrophobicContact CD2-CG2 4.19Å; L550-V608 HydrophobicContact CG-CG2 4.44Å; P551-V608 HydrophobicContact CG-CG1 3.96Å; P551-V608 HydrophobicContact CG-CG2 4.19Å; I553-V608 HydrophobicContact CD1-CG1 3.86Å; I553-V608 HydrophobicContact CG1-CG1 4.07Å; F595-V608 HydrophobicContact CZ-CB 4.41Å; F595-V608 HydrophobicContact CZ-CG2 4.26Å; A604-V608 WeakPolarHBondContact O-CG2 3.47Å; A604-V608 PolarHBondContact O-N 2.61Å; A604-V608 VanDerWaalsContact O-N 3.15Å; A605-V608 PolarHBondContact O-N 2.88Å; L606-V608 PolarHBondContact O-N 3.29Å |
| 609 | F | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -92 | -2.3 | -177.7 | -83.3 | -109.4 | 0 | 0 | 0 | 114.7 | L224 I553 P564 L566 Q593 F595 A605 L606 Y607 N611 V612 Y615 | L224-F609 HydrophobicContact CD2-CZ 4.37Å; I553-F609 HydrophobicContact CD1-CD1 4.21Å; I553-F609 HydrophobicContact CD1-CD2 3.84Å; I553-F609 HydrophobicContact CD1-CE1 4.19Å; I553-F609 HydrophobicContact CD1-CE2 3.78Å; I553-F609 HydrophobicContact CD1-CG 4.05Å; I553-F609 HydrophobicContact CD1-CZ 3.97Å; P564-F609 HydrophobicContact CB-CE1 4.1Å; L566-F609 HydrophobicContact CB-CD1 4.31Å; L566-F609 HydrophobicContact CB-CD2 4.48Å; L566-F609 HydrophobicContact CB-CE1 4.09Å; L566-F609 HydrophobicContact CB-CE2 4.3Å; L566-F609 HydrophobicContact CB-CG 4.49Å; L566-F609 HydrophobicContact CB-CZ 4.1Å; L566-F609 HydrophobicContact CD1-CD2 4.18Å; L566-F609 HydrophobicContact CD1-CE2 3.93Å; L566-F609 HydrophobicContact CD1-CZ 4.44Å; L566-F609 HydrophobicContact CD2-CD2 4.31Å; L566-F609 HydrophobicContact CD2-CG 4.4Å; Q593-F609 HydrophobicContact CG-CZ 4.46Å; F595-F609 HydrophobicContact CE2-CE2 4.48Å; A605-F609 PolarHBondContact O-N 3.27Å; A605-F609 VanDerWaalsContact O-N 3.13Å; L606-F609 CarbonylContact O-C 3.58Å; L606-F609 PolarHBondContact O-N 2.77Å; Y607-F609 VanDerWaalsContact C-N 3.25Å; Y607-F609 PolarHBondContact O-N 2.9Å; F609-N611 PolarHBondContact O-N 3.06Å; F609-V612 HydrophobicContact CD1-CB 4.48Å; F609-V612 HydrophobicContact CD1-CG2 4.2Å; F609-V612 WeakPolarHBondContact O-CB 3.41Å; F609-V612 PolarHBondContact O-N 2.72Å; F609-Y615 HydrophobicContact CB-CD2 4.47Å; F609-Y615 HydrophobicContact CB-CE1 4.3Å; F609-Y615 HydrophobicContact CB-CE2 4.17Å; F609-Y615 HydrophobicContact CD1-CD1 4.39Å; F609-Y615 AromaticContact CD1-CD2 3.78Å; F609-Y615 HydrophobicContact CD1-CD2 3.78Å; F609-Y615 HydrophobicContact CD1-CE2 4.3Å; F609-Y615 AromaticContact CD1-CG 3.84Å; F609-Y615 HydrophobicContact CD1-CG 3.84Å; F609-Y615 HydrophobicContact CE1-CD2 4.48Å; F609-Y615 HydrophobicContact CG-CD2 4.45Å |
| 610 | R | 95.6 | Very high | 95.4 | Very high | 53 Ų | 53 | 21.5 Ų | 21.5 | 20% | 0.2 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -31.2 | -170.8 | 74.7 | -169.5 | 179.7 | -84.1 | 5.9 | 115 | L606 Y607 S640 V641 | L606-R610 PolarHBondContact O-N 2.98Å; Y607-R610 WeakPolarHBondContact O-CB 3.49Å; Y607-R610 WeakPolarHBondContact O-CD 3.27Å; Y607-R610 WeakPolarHBondContact O-CG 3.41Å; Y607-R610 PolarHBondContact O-N 3.23Å; Y607-R610 PolarHBondContact O-NH1 3.27Å; Y607-R610 PolarHBondContact OH-NH2 2.79Å; Y607-R610 VanDerWaalsContact OH-NH2 3.15Å; R610-S640 WeakPolarHBondContact O-CA 3.44Å; R610-V641 PolarHBondContact O-N 2.88Å |
| 611 | N | 95.3 | Very high | 96 | Very high | 67 Ų | 67 | 21.4 Ų | 21.4 | 36% | 0.358 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -0 | -179.1 | -63.7 | -31.9 | 0 | 0 | 0 | 113.5 | P555 F609 | P555-N611 WeakPolarHBondContact CB-O 3.48Å; P555-N611 HydrophobicContact CG-CB 3.68Å; P555-N611 WeakPolarHBondContact CG-O 3.08Å; F609-N611 PolarHBondContact O-N 3.06Å |
| 612 | V | 96.5 | Very high | 96 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.018 | 10% | 0.103 | C | C | . | . | trans | -85 | 116.4 | 178.5 | -176.3 | 0 | 0 | 0 | 0 | 108.8 | I553 I558 F609 K614 Y615 C642 | I553-V612 HydrophobicContact CB-CG2 4.31Å; I553-V612 HydrophobicContact CD1-CG2 4.01Å; I553-V612 HydrophobicContact CG2-CG2 3.77Å; I558-V612 HydrophobicContact CD1-CG1 3.82Å; I558-V612 HydrophobicContact CD1-CG2 4.01Å; F609-V612 HydrophobicContact CD1-CB 4.48Å; F609-V612 HydrophobicContact CD1-CG2 4.2Å; F609-V612 WeakPolarHBondContact O-CB 3.41Å; F609-V612 PolarHBondContact O-N 2.72Å; V612-K614 PolarHBondContact O-N 3.29Å; V612-Y615 HydrophobicContact CB-CD1 4.02Å; V612-Y615 HydrophobicContact CG1-CD1 4.15Å; V612-Y615 HydrophobicContact CG1-CG 4.46Å; V612-Y615 WeakPolarHBondContact O-CD1 3.39Å; V612-C642 WeakPolarHBondContact O-CB 3.47Å | ||
| 613 | E | 95.2 | Very high | 95.8 | Very high | 137 Ų | 137 | 22.1 Ų | 22.1 | 64% | 0.64 | 11% | 0.106 | S | C | * | . | S | Bend | trans | -63.8 | -38.7 | -175.8 | -66.7 | -180 | -172.4 | 0 | 0 | 113.2 | V641 C642 | E613-V641 HydrophobicContact CB-CG1 4.44Å; E613-V641 HydrophobicContact CG-CG1 3.74Å; E613-C642 WeakPolarHBondContact O-CB 3.42Å; E613-C642 PolarHBondContact O-SG 2.92Å |
| 614 | K | 96.2 | Very high | 95.6 | Very high | 121 Ų | 121 | 24.2 Ų | 24.2 | 53% | 0.526 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -135.8 | 112.3 | -177.1 | -61.7 | 177.5 | -173.9 | 168.7 | 0 | 110.3 | Q563 P564 V612 | Q563-K614 HydrophobicContact CG-CB 4.01Å; P564-K614 WeakPolarHBondContact CD-O 3.3Å; V612-K614 PolarHBondContact O-N 3.29Å |
| 615 | Y | 98.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | trans | -148.3 | 158.9 | 175.3 | 70.7 | -86.4 | 0 | 0 | 0 | 110 | P564 L566 F609 V612 I617 C642 P645 P646 | P564-Y615 VanDerWaalsContact O-CA 3.32Å; P564-Y615 WeakPolarHBondContact O-CA 3.49Å; P564-Y615 WeakPolarHBondContact O-CB 3.19Å; L566-Y615 HydrophobicContact CB-CD2 4.33Å; L566-Y615 HydrophobicContact CD2-CE2 4.36Å; F609-Y615 HydrophobicContact CB-CD2 4.47Å; F609-Y615 HydrophobicContact CB-CE1 4.3Å; F609-Y615 HydrophobicContact CB-CE2 4.17Å; F609-Y615 HydrophobicContact CD1-CD1 4.39Å; F609-Y615 AromaticContact CD1-CD2 3.78Å; F609-Y615 HydrophobicContact CD1-CD2 3.78Å; F609-Y615 HydrophobicContact CD1-CE2 4.3Å; F609-Y615 AromaticContact CD1-CG 3.84Å; F609-Y615 HydrophobicContact CD1-CG 3.84Å; F609-Y615 HydrophobicContact CE1-CD2 4.48Å; F609-Y615 HydrophobicContact CG-CD2 4.45Å; V612-Y615 HydrophobicContact CB-CD1 4.02Å; V612-Y615 HydrophobicContact CG1-CD1 4.15Å; V612-Y615 HydrophobicContact CG1-CG 4.46Å; V612-Y615 WeakPolarHBondContact O-CD1 3.39Å; Y615-I617 HydrophobicContact CD2-CG1 4.1Å; Y615-I617 HydrophobicContact CE2-CD1 3.88Å; Y615-I617 HydrophobicContact CE2-CG1 3.72Å; Y615-C642 HydrophobicContact CD1-CB 4Å; Y615-C642 HydrophobicContact CE1-CB 3.58Å; Y615-P645 HydrophobicContact CD2-CB 4.1Å; Y615-P645 HydrophobicContact CE1-CB 4.15Å; Y615-P645 HydrophobicContact CE1-CG 4.49Å; Y615-P645 HydrophobicContact CE2-CB 3.69Å; Y615-P645 HydrophobicContact CE2-CG 4.02Å; Y615-P645 HydrophobicContact CG-CB 4.49Å; Y615-P646 WeakPolarHBondContact O-CD 3.33Å | ||
| 616 | K | 98.6 | Very high | 95.5 | Very high | 15 Ų | 15 | 24.9 Ų | 24.9 | 7% | 0.065 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 159 | 177.3 | -57.4 | -169.1 | 169.7 | -174.6 | 0 | 109.8 | Q563 P564 L565 L566 P646 L905 | Q563-K616 HydrophobicContact CB-CG 4.39Å; P564-K616 PolarHBondContact O-N 3.41Å; L565-K616 CarbonylContact C-O 3.44Å; L565-K616 WeakPolarHBondContact CA-O 3.22Å; L565-K616 HydrophobicContact CD1-CB 3.78Å; L566-K616 PolarHBondContact N-O 2.84Å; K616-P646 HydrophobicContact CB-CG 4.44Å; K616-P646 HydrophobicContact CG-CG 3.97Å; K616-L905 HydrophobicContact CB-CD1 4.38Å; K616-L905 HydrophobicContact CD-CD1 4.06Å |
| 617 | I | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136.4 | 174 | -57.9 | 176 | 0 | 0 | 0 | 110.1 | L566 L568 L606 Y615 V619 V629 L633 P645 P646 C647 A648 | L566-I617 HydrophobicContact CB-CG1 4.34Å; L566-I617 HydrophobicContact CD2-CG1 4.42Å; L566-I617 CarbonylContact O-C 3.59Å; L566-I617 VanDerWaalsContact O-CA 3.27Å; L566-I617 WeakPolarHBondContact O-CA 3.32Å; L568-I617 HydrophobicContact CD1-CG2 3.95Å; L568-I617 HydrophobicContact CG-CG2 4.26Å; L606-I617 HydrophobicContact CD2-CD1 4.14Å; Y615-I617 HydrophobicContact CD2-CG1 4.1Å; Y615-I617 HydrophobicContact CE2-CD1 3.88Å; Y615-I617 HydrophobicContact CE2-CG1 3.72Å; I617-V619 HydrophobicContact CG2-CG2 3.82Å; I617-V629 HydrophobicContact CG2-CG1 4.49Å; I617-L633 HydrophobicContact CD1-CD1 4.05Å; I617-L633 HydrophobicContact CD1-CD2 4.03Å; I617-L633 HydrophobicContact CD1-CG 4.49Å; I617-P645 HydrophobicContact CD1-CB 4.01Å; I617-P645 HydrophobicContact CD1-CG 3.62Å; I617-P645 HydrophobicContact CG1-CB 4.18Å; I617-P645 HydrophobicContact CG1-CG 4.35Å; I617-P646 PolarHBondContact N-O 3.25Å; I617-C647 CarbonylContact O-C 3.24Å; I617-C647 WeakPolarHBondContact O-CA 3.48Å; I617-A648 PolarHBondContact O-N 3.2Å |
| 618 | L | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 112.2 | 167.1 | 175.4 | 63.5 | 0 | 0 | 0 | 109.4 | L565 L566 V567 L568 F585 A648 L650 I677 L678 V681 | L565-L618 HydrophobicContact CD1-CB 3.91Å; L565-L618 HydrophobicContact CD2-CB 4.14Å; L565-L618 HydrophobicContact CD2-CD2 4.43Å; L565-L618 HydrophobicContact CG-CB 4.31Å; L566-L618 PolarHBondContact O-N 3.08Å; V567-L618 WeakPolarHBondContact CA-O 3.16Å; V567-L618 HydrophobicContact CG1-CD2 4.28Å; V567-L618 HydrophobicContact CG2-CB 4.38Å; V567-L618 HydrophobicContact CG2-CD2 4.49Å; L568-L618 PolarHBondContact N-O 2.87Å; F585-L618 HydrophobicContact CE1-CD2 4.39Å; F585-L618 HydrophobicContact CE2-CD2 4.29Å; F585-L618 HydrophobicContact CZ-CD2 3.93Å; L618-A648 HydrophobicContact CD1-CB 3.77Å; L618-L650 HydrophobicContact CD1-CB 4.14Å; L618-I677 HydrophobicContact CD2-CG2 4.34Å; L618-L678 HydrophobicContact CD2-CD2 4.3Å; L618-V681 HydrophobicContact CD1-CG2 4.14Å |
| 619 | V | 97.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 112.3 | 178.3 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | I617 T625 V629 A648 L649 L650 | I617-V619 HydrophobicContact CG2-CG2 3.82Å; V619-T625 HydrophobicContact CG1-CG2 3.67Å; V619-V629 HydrophobicContact CG1-CG2 3.99Å; V619-V629 HydrophobicContact CG2-CB 4.11Å; V619-V629 HydrophobicContact CG2-CG1 3.92Å; V619-V629 HydrophobicContact CG2-CG2 3.99Å; V619-A648 PolarHBondContact N-O 2.8Å; V619-L649 HydrophobicContact CB-CD2 3.9Å; V619-L649 HydrophobicContact CG2-CD2 4.41Å; V619-L649 WeakPolarHBondContact O-CA 3.47Å; V619-L650 PolarHBondContact O-N 3.28Å |
| 620 | C | 95.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 98.1 | 176.2 | -48.5 | 0 | 0 | 0 | 0 | 109.4 | L568 V569 N570 L650 L652 | L568-C620 PolarHBondContact O-N 2.83Å; V569-C620 HydrophobicContact CB-CB 4.35Å; V569-C620 HydrophobicContact CG1-CB 4.12Å; V569-C620 HydrophobicContact CG2-CB 4.2Å; N570-C620 WeakPolarHBondContact CB-O 3.43Å; N570-C620 PolarHBondContact N-O 3.1Å; C620-L650 WeakPolarHBondContact CA-O 3.47Å; C620-L650 HydrophobicContact CB-CB 4.17Å; C620-L650 HydrophobicContact CB-CD2 4.22Å; C620-L652 HydrophobicContact CB-CD1 3.75Å; C620-L652 HydrophobicContact CB-CG 4.47Å |
| 621 | G | 93.1 | Very high | 95.4 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 6% | 0.062 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178 | -163.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L650 P651 L652 G653 | G621-L650 PolarHBondContact N-O 2.93Å; G621-P651 CarbonylContact O-C 3.28Å; G621-P651 WeakPolarHBondContact O-CA 3.45Å; G621-L652 PolarHBondContact O-N 2.89Å; G621-G653 PolarHBondContact O-N 3.39Å |
| 622 | G | 91.1 | Very high | 95.4 | Very high | 12 Ų | 12 | 25.6 Ų | 25.6 | 12% | 0.124 | 14% | 0.138 | C | C | . | . | trans | -101.8 | -172.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G624 T625 A626 G655 | G622-G624 VanDerWaalsContact C-N 3.31Å; G622-G624 PolarHBondContact O-N 2.83Å; G622-T625 WeakPolarHBondContact O-CA 3.36Å; G622-T625 WeakPolarHBondContact O-CB 3.1Å; G622-T625 PolarHBondContact O-N 3.29Å; G622-A626 PolarHBondContact O-N 3.48Å; G622-G655 VanDerWaalsContact CA-O 3.27Å; G622-G655 WeakPolarHBondContact CA-O 3.26Å | ||
| 623 | D | 92.7 | Very high | 95.3 | Very high | 14 Ų | 14 | 26.6 Ų | 26.6 | 8% | 0.075 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -54.3 | -44.2 | 178.3 | -63.1 | -41.2 | 0 | 0 | 0 | 112.6 | T625 A626 G627 G655 N656 D657 L658 N732 | D623-T625 VanDerWaalsContact C-N 3.27Å; D623-T625 PolarHBondContact O-N 2.8Å; D623-A626 WeakPolarHBondContact O-CB 3.48Å; D623-A626 PolarHBondContact O-N 3.41Å; D623-A626 VanDerWaalsContact O-N 3.1Å; D623-G627 PolarHBondContact O-N 3.01Å; D623-G655 PolarHBondContact N-O 3.38Å; D623-N656 WeakPolarHBondContact OD2-CA 3.34Å; D623-N656 PolarHBondContact OD2-N 2.77Å; D623-D657 PolarHBondContact OD1-N 3.15Å; D623-D657 PolarHBondContact OD2-N 3.08Å; D623-L658 WeakPolarHBondContact OD1-CB 3.31Å; D623-L658 PolarHBondContact OD1-N 2.96Å; D623-N732 WeakPolarHBondContact CB-ND2 3.33Å |
| 624 | G | 91.2 | Very high | 95.2 | Very high | 48 Ų | 48 | 22 Ų | 22 | 50% | 0.495 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -64.3 | -28.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G622 W628 | G622-G624 VanDerWaalsContact C-N 3.31Å; G622-G624 PolarHBondContact O-N 2.83Å; G624-W628 WeakPolarHBondContact O-CB 3.2Å; G624-W628 PolarHBondContact O-N 2.83Å |
| 625 | T | 93.8 | Very high | 94.9 | Very high | 12 Ų | 12 | 18.7 Ų | 18.7 | 7% | 0.074 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -73.1 | -39.7 | 172.5 | -54.7 | 0 | 0 | 0 | 0 | 111.1 | N570 I597 V619 G622 D623 W628 V629 | N570-T625 HydrophobicContact CB-CG2 3.95Å; N570-T625 PolarHBondContact ND2-OG1 3.46Å; I597-T625 HydrophobicContact CD1-CG2 3.53Å; V619-T625 HydrophobicContact CG1-CG2 3.67Å; G622-T625 WeakPolarHBondContact O-CA 3.36Å; G622-T625 WeakPolarHBondContact O-CB 3.1Å; G622-T625 PolarHBondContact O-N 3.29Å; D623-T625 VanDerWaalsContact C-N 3.27Å; D623-T625 PolarHBondContact O-N 2.8Å; T625-W628 PolarHBondContact O-N 2.64Å; T625-V629 WeakPolarHBondContact O-CG2 3.44Å; T625-V629 PolarHBondContact O-N 3.29Å |
| 626 | A | 95.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 3% | 0.025 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.6 | -48.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G622 D623 W628 V629 L630 L649 L658 | G622-A626 PolarHBondContact O-N 3.48Å; D623-A626 WeakPolarHBondContact O-CB 3.48Å; D623-A626 PolarHBondContact O-N 3.41Å; D623-A626 VanDerWaalsContact O-N 3.1Å; A626-W628 VanDerWaalsContact C-N 3.33Å; A626-W628 PolarHBondContact O-N 2.56Å; A626-V629 PolarHBondContact O-N 3.44Å; A626-L630 WeakPolarHBondContact O-CG 3.41Å; A626-L630 PolarHBondContact O-N 2.85Å; A626-L649 HydrophobicContact CB-CD1 4.27Å; A626-L649 HydrophobicContact CB-CD2 3.62Å; A626-L658 HydrophobicContact CB-CD2 4.4Å |
| 627 | G | 94.8 | Very high | 94 | Very high | 15 Ų | 15 | 19.2 Ų | 19.2 | 16% | 0.155 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.8 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D623 L630 Q631 | D623-G627 PolarHBondContact O-N 3.01Å; G627-L630 PolarHBondContact O-N 3.34Å; G627-Q631 WeakPolarHBondContact O-CB 3.33Å; G627-Q631 PolarHBondContact O-N 3.37Å |
| 628 | W | 94.3 | Very high | 93.3 | Very high | 76 Ų | 76 | 28.7 Ų | 28.7 | 29% | 0.288 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.9 | -45.4 | 175.5 | -179.3 | 26.6 | 0 | 0 | 0 | 112.6 | Y515 I597 P602 G624 T625 A626 Q631 C632 | Y515-W628 AromaticContact CE1-NE1 3.43Å; I597-W628 HydrophobicContact CB-CZ3 4.24Å; I597-W628 HydrophobicContact CD1-CE3 3.92Å; I597-W628 HydrophobicContact CD1-CZ3 3.71Å; I597-W628 HydrophobicContact CG1-CZ3 3.94Å; I597-W628 WeakPolarHBondContact O-CH2 3.01Å; P602-W628 VanDerWaalsContact CD-CE2 3.41Å; P602-W628 HydrophobicContact CG-CD2 4.07Å; P602-W628 HydrophobicContact CG-CE3 4.35Å; P602-W628 HydrophobicContact CG-CZ2 4.33Å; G624-W628 WeakPolarHBondContact O-CB 3.2Å; G624-W628 PolarHBondContact O-N 2.83Å; T625-W628 PolarHBondContact O-N 2.64Å; A626-W628 VanDerWaalsContact C-N 3.33Å; A626-W628 PolarHBondContact O-N 2.56Å; W628-Q631 PolarHBondContact O-N 2.9Å; W628-C632 PolarHBondContact O-N 3.31Å; W628-C632 PolarHBondContact O-SG 3.35Å; W628-C632 VanDerWaalsContact O-SG 3.39Å |
| 629 | V | 96.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.1 | -44.1 | 177.3 | 172 | 0 | 0 | 0 | 0 | 111.2 | L568 P602 I617 V619 T625 A626 Q631 C632 L633 | L568-V629 HydrophobicContact CD1-CB 4.43Å; L568-V629 HydrophobicContact CD1-CG1 3.77Å; L568-V629 HydrophobicContact CD1-CG2 3.7Å; P602-V629 HydrophobicContact CB-CG2 4.31Å; P602-V629 HydrophobicContact CG-CG2 3.86Å; I617-V629 HydrophobicContact CG2-CG1 4.49Å; V619-V629 HydrophobicContact CG1-CG2 3.99Å; V619-V629 HydrophobicContact CG2-CB 4.11Å; V619-V629 HydrophobicContact CG2-CG1 3.92Å; V619-V629 HydrophobicContact CG2-CG2 3.99Å; T625-V629 WeakPolarHBondContact O-CG2 3.44Å; T625-V629 PolarHBondContact O-N 3.29Å; A626-V629 PolarHBondContact O-N 3.44Å; V629-Q631 VanDerWaalsContact C-N 3.34Å; V629-Q631 PolarHBondContact O-N 3.15Å; V629-C632 PolarHBondContact O-N 3.41Å; V629-L633 HydrophobicContact CG1-CD1 4.42Å; V629-L633 PolarHBondContact O-N 2.77Å |
| 630 | L | 96.2 | Very high | 92.4 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.3 | -41.1 | 177.2 | -67.2 | -179.7 | 0 | 0 | 0 | 111.7 | A626 G627 C632 L633 D634 L689 A902 M904 | A626-L630 WeakPolarHBondContact O-CG 3.41Å; A626-L630 PolarHBondContact O-N 2.85Å; G627-L630 PolarHBondContact O-N 3.34Å; L630-C632 VanDerWaalsContact C-N 3.34Å; L630-C632 PolarHBondContact O-N 3.25Å; L630-L633 HydrophobicContact CD2-CD1 4.15Å; L630-L633 WeakPolarHBondContact O-CB 3.14Å; L630-L633 PolarHBondContact O-N 3.15Å; L630-D634 PolarHBondContact O-N 3.42Å; L630-D634 VanDerWaalsContact O-OD2 3.09Å; L630-L689 HydrophobicContact CD1-CD2 4.39Å; L630-A902 HydrophobicContact CD1-CB 4.12Å; L630-A902 HydrophobicContact CD2-CB 3.73Å; L630-M904 HydrophobicContact CD2-SD 4.33Å |
| 631 | Q | 93.7 | Very high | 92.3 | Very high | 63 Ų | 63 | 37.5 Ų | 37.5 | 29% | 0.294 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 173.9 | -173 | 66.4 | 27 | 0 | 0 | 111.6 | G627 W628 V629 L633 D634 V635 | G627-Q631 WeakPolarHBondContact O-CB 3.33Å; G627-Q631 PolarHBondContact O-N 3.37Å; W628-Q631 PolarHBondContact O-N 2.9Å; V629-Q631 VanDerWaalsContact C-N 3.34Å; V629-Q631 PolarHBondContact O-N 3.15Å; Q631-L633 VanDerWaalsContact C-N 3.31Å; Q631-L633 PolarHBondContact O-N 2.63Å; Q631-D634 WeakPolarHBondContact O-CB 3.18Å; Q631-D634 PolarHBondContact O-N 2.73Å; Q631-V635 WeakPolarHBondContact O-CG2 3.47Å; Q631-V635 PolarHBondContact O-N 3.41Å |
| 632 | C | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.4 | -35.5 | 175.5 | -69.2 | 0 | 0 | 0 | 0 | 112.4 | P602 L603 L606 W628 V629 L630 D634 V635 V636 | P602-C632 HydrophobicContact CB-CB 4.07Å; P602-C632 HydrophobicContact CG-CB 4.48Å; L603-C632 HydrophobicContact CD2-CB 3.84Å; L603-C632 HydrophobicContact CG-CB 4.28Å; L606-C632 HydrophobicContact CD1-CB 3.71Å; W628-C632 PolarHBondContact O-N 3.31Å; W628-C632 PolarHBondContact O-SG 3.35Å; W628-C632 VanDerWaalsContact O-SG 3.39Å; V629-C632 PolarHBondContact O-N 3.41Å; L630-C632 VanDerWaalsContact C-N 3.34Å; L630-C632 PolarHBondContact O-N 3.25Å; C632-D634 VanDerWaalsContact C-N 3.33Å; C632-V635 PolarHBondContact O-N 3.09Å; C632-V636 WeakPolarHBondContact O-CG2 3.43Å; C632-V636 PolarHBondContact O-N 3.48Å; C632-V636 VanDerWaalsContact O-N 3.07Å |
| 633 | L | 95.2 | Very high | 92 | Very high | 25 Ų | 25 | 42.7 Ų | 42.7 | 13% | 0.131 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.3 | -39.8 | 173.5 | -75.8 | 169.6 | 0 | 0 | 0 | 111.9 | L606 I617 V629 L630 Q631 V635 V636 G637 P645 | L606-L633 HydrophobicContact CD1-CD2 4.12Å; L606-L633 HydrophobicContact CD1-CG 4.33Å; L606-L633 HydrophobicContact CD2-CD2 3.58Å; L606-L633 HydrophobicContact CD2-CG 4.39Å; L606-L633 HydrophobicContact CG-CD2 4.5Å; I617-L633 HydrophobicContact CD1-CD1 4.05Å; I617-L633 HydrophobicContact CD1-CD2 4.03Å; I617-L633 HydrophobicContact CD1-CG 4.49Å; V629-L633 HydrophobicContact CG1-CD1 4.42Å; V629-L633 PolarHBondContact O-N 2.77Å; L630-L633 HydrophobicContact CD2-CD1 4.15Å; L630-L633 WeakPolarHBondContact O-CB 3.14Å; L630-L633 PolarHBondContact O-N 3.15Å; Q631-L633 VanDerWaalsContact C-N 3.31Å; Q631-L633 PolarHBondContact O-N 2.63Å; L633-V635 VanDerWaalsContact C-N 3.31Å; L633-V635 PolarHBondContact O-N 3.35Å; L633-V636 PolarHBondContact O-N 3.4Å; L633-G637 WeakPolarHBondContact O-CA 3.4Å; L633-G637 PolarHBondContact O-N 3.44Å; L633-P645 HydrophobicContact CD1-CG 4.1Å; L633-P645 HydrophobicContact CD2-CG 3.56Å |
| 634 | D | 92.3 | Very high | 92 | Very high | 40 Ų | 40 | 43.9 Ų | 43.9 | 21% | 0.214 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 175.8 | -55.3 | -40.7 | 0 | 0 | 0 | 111.2 | L630 Q631 C632 G637 R691 L900 | L630-D634 PolarHBondContact O-N 3.42Å; L630-D634 VanDerWaalsContact O-OD2 3.09Å; Q631-D634 WeakPolarHBondContact O-CB 3.18Å; Q631-D634 PolarHBondContact O-N 2.73Å; C632-D634 VanDerWaalsContact C-N 3.33Å; D634-G637 PolarHBondContact O-N 2.95Å; D634-R691 IonicContact OD1-CZ 3.17Å; D634-R691 IonicContact OD1-NH1 2.69Å; D634-R691 PolarHBondContact OD1-NH1 3.41Å; D634-R691 IonicContact OD2-CZ 3.75Å; D634-R691 VanDerWaalsContact OD2-CZ 3.24Å; D634-R691 IonicContact OD2-NH1 2.68Å; D634-R691 PolarHBondContact OD2-NH1 3.43Å; D634-R691 IonicContact OD2-NH2 2.65Å; D634-R691 PolarHBondContact OD2-NH2 3.34Å; D634-L900 HydrophobicContact CB-CD1 4.11Å; D634-L900 HydrophobicContact CB-CD2 4.27Å |
| 635 | V | 90.8 | Very high | 92.2 | Very high | 51 Ų | 51 | 41.8 Ų | 41.8 | 31% | 0.309 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.7 | -44.2 | 180 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | Y512 Y515 Q631 C632 L633 | Y512-V635 HydrophobicContact CD1-CG1 3.72Å; Y512-V635 HydrophobicContact CE1-CG1 4.24Å; Y515-V635 HydrophobicContact CE2-CG2 4.36Å; Q631-V635 WeakPolarHBondContact O-CG2 3.47Å; Q631-V635 PolarHBondContact O-N 3.41Å; C632-V635 PolarHBondContact O-N 3.09Å; L633-V635 VanDerWaalsContact C-N 3.31Å; L633-V635 PolarHBondContact O-N 3.35Å |
| 636 | V | 91.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -88 | -3.5 | -177.5 | -54.5 | 0 | 0 | 0 | 0 | 113.5 | Y512 L603 L606 C632 L633 Q638 E639 S640 | Y512-V636 HydrophobicContact CE1-CG1 3.81Å; L603-V636 HydrophobicContact CD2-CG1 3.59Å; L606-V636 HydrophobicContact CB-CG1 4.43Å; L606-V636 HydrophobicContact CB-CG2 4.14Å; L606-V636 HydrophobicContact CD1-CG1 4.48Å; L606-V636 HydrophobicContact CD1-CG2 3.95Å; C632-V636 WeakPolarHBondContact O-CG2 3.43Å; C632-V636 PolarHBondContact O-N 3.48Å; C632-V636 VanDerWaalsContact O-N 3.07Å; L633-V636 PolarHBondContact O-N 3.4Å; V636-Q638 VanDerWaalsContact C-N 3.26Å; V636-Q638 PolarHBondContact O-N 3.05Å; V636-E639 WeakPolarHBondContact O-CA 3.18Å; V636-E639 PolarHBondContact O-N 2.78Å; V636-S640 PolarHBondContact O-N 3.16Å; V636-S640 VanDerWaalsContact O-N 3.1Å; V636-S640 PolarHBondContact O-OG 3.41Å |
| 637 | G | 86.3 | Confident | 92.6 | Very high | 27 Ų | 27 | 41.6 Ų | 41.6 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -58.2 | -35.4 | -169 | 0 | 0 | 0 | 0 | 0 | 113.7 | L633 D634 E639 | L633-G637 WeakPolarHBondContact O-CA 3.4Å; L633-G637 PolarHBondContact O-N 3.44Å; D634-G637 PolarHBondContact O-N 2.95Å; G637-E639 VanDerWaalsContact C-N 3.32Å |
| 638 | Q | 83.1 | Confident | 92.8 | Very high | 199 Ų | 199 | 40.9 Ų | 40.9 | 93% | 0.93 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -74.4 | -21.7 | 177.1 | -63.8 | -178.7 | 0.4 | 0 | 0 | 113.4 | V636 | V636-Q638 VanDerWaalsContact C-N 3.26Å; V636-Q638 PolarHBondContact O-N 3.05Å |
| 639 | E | 85 | Confident | 92.9 | Very high | 87 Ų | 87 | 37.7 Ų | 37.7 | 41% | 0.407 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -95.1 | -7.8 | 179.7 | -57.8 | -175.1 | 161.3 | 0 | 0 | 112.6 | P510 Y512 V636 G637 | P510-E639 WeakPolarHBondContact CB-OE1 3.37Å; P510-E639 WeakPolarHBondContact CG-OE2 3.26Å; Y512-E639 PolarHBondContact OH-OE2 3.15Å; V636-E639 WeakPolarHBondContact O-CA 3.18Å; V636-E639 PolarHBondContact O-N 2.78Å; G637-E639 VanDerWaalsContact C-N 3.32Å |
| 640 | S | 92.2 | Very high | 92.8 | Very high | 16 Ų | 16 | 38 Ų | 38 | 11% | 0.112 | 22% | 0.218 | C | C | . | . | trans | -107.1 | 135.2 | -173.1 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | R610 V636 C642 | R610-S640 WeakPolarHBondContact O-CA 3.44Å; V636-S640 PolarHBondContact O-N 3.16Å; V636-S640 VanDerWaalsContact O-N 3.1Å; V636-S640 PolarHBondContact O-OG 3.41Å; S640-C642 VanDerWaalsContact C-N 3.35Å | ||
| 641 | V | 94.4 | Very high | 92.7 | Very high | 85 Ų | 85 | 37.9 Ų | 37.9 | 52% | 0.515 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -68.1 | -37.6 | 176 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | R610 E613 | R610-V641 PolarHBondContact O-N 2.88Å; E613-V641 HydrophobicContact CB-CG1 4.44Å; E613-V641 HydrophobicContact CG-CG1 3.74Å |
| 642 | C | 92.3 | Very high | 92.4 | Very high | 18 Ų | 18 | 34.9 Ų | 34.9 | 12% | 0.122 | 20% | 0.203 | C | C | . | . | trans | -85.6 | 114.6 | 171.7 | -167.4 | 0 | 0 | 0 | 0 | 110.1 | V612 E613 Y615 S640 | V612-C642 WeakPolarHBondContact O-CB 3.47Å; E613-C642 WeakPolarHBondContact O-CB 3.42Å; E613-C642 PolarHBondContact O-SG 2.92Å; Y615-C642 HydrophobicContact CD1-CB 4Å; Y615-C642 HydrophobicContact CE1-CB 3.58Å; S640-C642 VanDerWaalsContact C-N 3.35Å | ||
| 643 | S | 85.9 | Confident | 91.7 | Very high | 109 Ų | 109 | 35.2 Ų | 35.2 | 76% | 0.762 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -79 | -27.4 | -176.3 | 57.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 644 | S | 91.6 | Very high | 91 | Very high | 39 Ų | 39 | 35.6 Ų | 35.6 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -150.7 | 76.2 | -176.6 | -162.3 | 0 | 0 | 0 | 0 | 111.4 | T903 | S644-T903 PolarHBondContact OG-N 3.37Å; S644-T903 PolarHBondContact OG-OG1 2.96Å |
| 645 | P | 96.6 | Very high | 90.8 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | trans | -66.2 | 130.7 | 178.2 | 28.1 | -35.7 | 0 | 0 | 0 | 110.8 | Y615 I617 L633 C647 | Y615-P645 HydrophobicContact CD2-CB 4.1Å; Y615-P645 HydrophobicContact CE1-CB 4.15Å; Y615-P645 HydrophobicContact CE1-CG 4.49Å; Y615-P645 HydrophobicContact CE2-CB 3.69Å; Y615-P645 HydrophobicContact CE2-CG 4.02Å; Y615-P645 HydrophobicContact CG-CB 4.49Å; I617-P645 HydrophobicContact CD1-CB 4.01Å; I617-P645 HydrophobicContact CD1-CG 3.62Å; I617-P645 HydrophobicContact CG1-CB 4.18Å; I617-P645 HydrophobicContact CG1-CG 4.35Å; L633-P645 HydrophobicContact CD1-CG 4.1Å; L633-P645 HydrophobicContact CD2-CG 3.56Å; P645-C647 PolarHBondContact O-N 3.13Å; P645-C647 PolarHBondContact O-SG 3.31Å; P645-C647 VanDerWaalsContact O-SG 3.35Å | ||
| 646 | P | 98 | Very high | 90.9 | Very high | 9 Ų | 9 | 32.9 Ų | 32.9 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | trans | -68.3 | 129.7 | -177.3 | 29.4 | -38.7 | 0 | 0 | 0 | 112 | Y615 K616 I617 E686 T903 L905 | Y615-P646 WeakPolarHBondContact O-CD 3.33Å; K616-P646 HydrophobicContact CB-CG 4.44Å; K616-P646 HydrophobicContact CG-CG 3.97Å; I617-P646 PolarHBondContact N-O 3.25Å; P646-E686 HydrophobicContact CB-CG 3.96Å; P646-E686 HydrophobicContact CG-CG 4.44Å; P646-T903 WeakPolarHBondContact CA-O 3.25Å; P646-T903 HydrophobicContact CB-CG2 3.8Å; P646-L905 HydrophobicContact CB-CD1 4.42Å; P646-L905 HydrophobicContact CB-CD2 3.83Å; P646-L905 HydrophobicContact CB-CG 3.89Å; P646-L905 HydrophobicContact CG-CD2 4.43Å | ||
| 647 | C | 98.6 | Very high | 91 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 120.8 | -171.8 | -67.4 | 0 | 0 | 0 | 0 | 113.7 | I617 P645 T903 M904 L905 | I617-C647 CarbonylContact O-C 3.24Å; I617-C647 WeakPolarHBondContact O-CA 3.48Å; P645-C647 PolarHBondContact O-N 3.13Å; P645-C647 PolarHBondContact O-SG 3.31Å; P645-C647 VanDerWaalsContact O-SG 3.35Å; C647-T903 PolarHBondContact N-O 2.95Å; C647-M904 HydrophobicContact CB-CE 3.97Å; C647-M904 HydrophobicContact CB-SD 3.88Å; C647-M904 CarbonylContact O-C 3.47Å; C647-M904 WeakPolarHBondContact O-CA 3.43Å; C647-M904 WeakPolarHBondContact O-CE 3.49Å; C647-L905 PolarHBondContact O-N 2.82Å |
| 648 | A | 98.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 153.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I617 L618 V619 W664 V681 L905 | I617-A648 PolarHBondContact O-N 3.2Å; L618-A648 HydrophobicContact CD1-CB 3.77Å; V619-A648 PolarHBondContact N-O 2.8Å; A648-W664 HydrophobicContact CB-CH2 4.14Å; A648-W664 HydrophobicContact CB-CZ2 3.54Å; A648-V681 HydrophobicContact CB-CG2 3.99Å; A648-L905 HydrophobicContact CB-CB 3.88Å; A648-L905 HydrophobicContact CB-CD1 3.85Å; A648-L905 HydrophobicContact CB-CG 4.45Å |
| 649 | L | 96.9 | Very high | 92.1 | Very high | 9 Ų | 9 | 22.3 Ų | 22.3 | 5% | 0.047 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129 | 179.3 | -57.7 | -176.9 | 0 | 0 | 0 | 111 | V619 A626 L658 A659 L662 W664 M904 | V619-L649 HydrophobicContact CB-CD2 3.9Å; V619-L649 HydrophobicContact CG2-CD2 4.41Å; V619-L649 WeakPolarHBondContact O-CA 3.47Å; A626-L649 HydrophobicContact CB-CD1 4.27Å; A626-L649 HydrophobicContact CB-CD2 3.62Å; L649-L658 HydrophobicContact CD1-CB 3.86Å; L649-L658 HydrophobicContact CD1-CD2 3.81Å; L649-L658 HydrophobicContact CD1-CG 3.64Å; L649-A659 HydrophobicContact CB-CB 4.03Å; L649-A659 HydrophobicContact CD1-CB 4.2Å; L649-L662 HydrophobicContact CD1-CD1 4.08Å; L649-L662 HydrophobicContact CG-CD1 4.38Å; L649-W664 WeakPolarHBondContact O-CB 3.03Å; L649-M904 HydrophobicContact CD1-CE 4.25Å; L649-M904 HydrophobicContact CD2-CE 4.18Å; L649-M904 HydrophobicContact CG-CE 4.14Å |
| 650 | L | 95.5 | Very high | 92.6 | Very high | 7 Ų | 7 | 21.3 Ų | 21.3 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 108.4 | 166.3 | -177.6 | 66.1 | 0 | 0 | 0 | 108.8 | L581 F585 L618 V619 C620 G621 L652 Y668 I677 | L581-L650 HydrophobicContact CD1-CD2 3.64Å; L581-L650 HydrophobicContact CD2-CD2 4.06Å; L581-L650 HydrophobicContact CG-CD2 4.47Å; F585-L650 HydrophobicContact CE2-CD2 4.11Å; F585-L650 HydrophobicContact CZ-CD2 4.03Å; L618-L650 HydrophobicContact CD1-CB 4.14Å; V619-L650 PolarHBondContact O-N 3.28Å; C620-L650 WeakPolarHBondContact CA-O 3.47Å; C620-L650 HydrophobicContact CB-CB 4.17Å; C620-L650 HydrophobicContact CB-CD2 4.22Å; G621-L650 PolarHBondContact N-O 2.93Å; L650-L652 PolarHBondContact O-N 3.26Å; L650-Y668 HydrophobicContact CD1-CD2 4.02Å; L650-Y668 HydrophobicContact CD1-CG 4.39Å; L650-I677 HydrophobicContact CD1-CD1 3.72Å; L650-I677 HydrophobicContact CD1-CG1 4.38Å; L650-I677 HydrophobicContact CD1-CG2 4.23Å; L650-I677 HydrophobicContact CD2-CD1 4.24Å |
| 651 | P | 93.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.019 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 87.6 | -166.2 | 28.1 | -35.9 | 0 | 0 | 0 | 113.1 | G621 N656 A659 G667 Y668 R760 | G621-P651 CarbonylContact O-C 3.28Å; G621-P651 WeakPolarHBondContact O-CA 3.45Å; P651-N656 HydrophobicContact CB-CB 3.69Å; P651-N656 WeakPolarHBondContact CB-OD1 3.49Å; P651-A659 HydrophobicContact CB-CB 3.9Å; P651-A659 HydrophobicContact CG-CB 4.29Å; P651-G667 CarbonylContact O-C 3.55Å; P651-G667 VanDerWaalsContact O-CA 3.28Å; P651-G667 WeakPolarHBondContact O-CA 3.32Å; P651-Y668 PolarHBondContact O-N 3.27Å; P651-R760 PolarHBondContact O-NH1 3.27Å |
| 652 | L | 87.4 | Confident | 92.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -89.3 | -20.4 | 171.4 | -66.3 | 177.5 | 0 | 0 | 0 | 112.4 | G574 Q577 L581 C620 G621 L650 Y668 | G574-L652 WeakPolarHBondContact CA-O 3.46Å; G574-L652 PolarHBondContact N-O 2.98Å; Q577-L652 HydrophobicContact CB-CD2 4.4Å; L581-L652 HydrophobicContact CD1-CD1 3.9Å; L581-L652 HydrophobicContact CD1-CD2 3.6Å; L581-L652 HydrophobicContact CD1-CG 4.19Å; C620-L652 HydrophobicContact CB-CD1 3.75Å; C620-L652 HydrophobicContact CB-CG 4.47Å; G621-L652 PolarHBondContact O-N 2.89Å; L650-L652 PolarHBondContact O-N 3.26Å; L652-Y668 HydrophobicContact CD2-CD1 3.75Å; L652-Y668 HydrophobicContact CD2-CG 4.22Å | ||
| 653 | G | 79.7 | Confident | 92.9 | Very high | 7 Ų | 7 | 21.7 Ų | 21.7 | 7% | 0.072 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -72.1 | -179.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G621 N656 R760 | G621-G653 PolarHBondContact O-N 3.39Å; G653-N656 PolarHBondContact N-OD1 3.13Å; G653-N656 PolarHBondContact O-ND2 3.48Å; G653-N656 PolarHBondContact O-OD1 3.29Å; G653-R760 WeakPolarHBondContact O-CD 3.46Å |
| 654 | T | 81.6 | Confident | 93.3 | Very high | 34 Ų | 34 | 17.6 Ų | 17.6 | 21% | 0.209 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -85 | -44.7 | 168.7 | -55.6 | 0 | 0 | 0 | 0 | 110.9 | N763 K764 | T654-N763 HydrophobicContact CG2-CB 3.76Å; T654-N763 PolarHBondContact OG1-ND2 2.99Å; T654-K764 HydrophobicContact CG2-CG 4.32Å |
| 655 | G | 87 | Confident | 93.3 | Very high | 31 Ų | 31 | 17.1 Ų | 17.1 | 32% | 0.32 | 10% | 0.097 | S | C | . | . | trans | -85.1 | 119.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | G622 D623 | G622-G655 VanDerWaalsContact CA-O 3.27Å; G622-G655 WeakPolarHBondContact CA-O 3.26Å; D623-G655 PolarHBondContact N-O 3.38Å | ||
| 656 | N | 92.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.011 | 12% | 0.117 | C | C | . | . | trans | -140.8 | 33.9 | -178.2 | -60.1 | -49.9 | 0 | 0 | 0 | 109.7 | D623 P651 G653 A659 R660 S666 | D623-N656 WeakPolarHBondContact OD2-CA 3.34Å; D623-N656 PolarHBondContact OD2-N 2.77Å; P651-N656 HydrophobicContact CB-CB 3.69Å; P651-N656 WeakPolarHBondContact CB-OD1 3.49Å; G653-N656 PolarHBondContact N-OD1 3.13Å; G653-N656 PolarHBondContact O-ND2 3.48Å; G653-N656 PolarHBondContact O-OD1 3.29Å; N656-A659 HydrophobicContact CB-CB 4.24Å; N656-A659 PolarHBondContact O-N 3.42Å; N656-R660 VanDerWaalsContact O-CG 3.3Å; N656-R660 WeakPolarHBondContact O-CG 3.25Å; N656-R660 PolarHBondContact O-N 3.23Å; N656-R660 VanDerWaalsContact O-N 3.08Å; N656-S666 PolarHBondContact ND2-O 2.93Å | ||
| 657 | D | 95.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.8 | -41.3 | -175.1 | -73.8 | -54.5 | 0 | 0 | 0 | 111 | D623 A659 R660 V661 Y733 I810 S812 S815 G816 | D623-D657 PolarHBondContact OD1-N 3.15Å; D623-D657 PolarHBondContact OD2-N 3.08Å; D657-A659 VanDerWaalsContact C-N 3.35Å; D657-A659 PolarHBondContact O-N 3.25Å; D657-R660 WeakPolarHBondContact O-CB 3.5Å; D657-R660 PolarHBondContact O-N 2.73Å; D657-V661 PolarHBondContact O-N 3.16Å; D657-Y733 HydrophobicContact CB-CE1 4.24Å; D657-Y733 PolarHBondContact OD2-OH 3.4Å; D657-I810 HydrophobicContact CB-CD1 3.92Å; D657-S812 PolarHBondContact OD1-OG 2.88Å; D657-S815 PolarHBondContact OD1-N 3.5Å; D657-G816 PolarHBondContact OD1-N 2.79Å |
| 658 | L | 96 | Very high | 91.8 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.016 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.2 | -42.2 | 176.4 | -171.4 | 55.3 | 0 | 0 | 0 | 111.2 | D623 A626 L649 R660 V661 L662 L689 N732 I810 M904 | D623-L658 WeakPolarHBondContact OD1-CB 3.31Å; D623-L658 PolarHBondContact OD1-N 2.96Å; A626-L658 HydrophobicContact CB-CD2 4.4Å; L649-L658 HydrophobicContact CD1-CB 3.86Å; L649-L658 HydrophobicContact CD1-CD2 3.81Å; L649-L658 HydrophobicContact CD1-CG 3.64Å; L658-R660 VanDerWaalsContact C-N 3.29Å; L658-R660 PolarHBondContact O-N 3.23Å; L658-V661 PolarHBondContact O-N 3Å; L658-L662 HydrophobicContact CD1-CD1 4.22Å; L658-L662 HydrophobicContact CD1-CG 4.45Å; L658-L662 HydrophobicContact CG-CD1 4.04Å; L658-L662 WeakPolarHBondContact O-CB 3.43Å; L658-L662 WeakPolarHBondContact O-CG 3.15Å; L658-L662 PolarHBondContact O-N 3Å; L658-L689 HydrophobicContact CD1-CD1 4.26Å; L658-L689 HydrophobicContact CD1-CD2 4.16Å; L658-L689 HydrophobicContact CD2-CD2 4.14Å; L658-N732 WeakPolarHBondContact CB-OD1 3.48Å; L658-I810 HydrophobicContact CB-CD1 4.31Å; L658-I810 HydrophobicContact CD1-CD1 4.41Å; L658-I810 HydrophobicContact CD1-CG2 4.19Å; L658-M904 HydrophobicContact CD2-CE 4.12Å |
| 659 | A | 96 | Very high | 90.8 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 2% | 0.017 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.9 | -34.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L649 P651 N656 D657 L662 R663 W664 G665 | L649-A659 HydrophobicContact CB-CB 4.03Å; L649-A659 HydrophobicContact CD1-CB 4.2Å; P651-A659 HydrophobicContact CB-CB 3.9Å; P651-A659 HydrophobicContact CG-CB 4.29Å; N656-A659 HydrophobicContact CB-CB 4.24Å; N656-A659 PolarHBondContact O-N 3.42Å; D657-A659 VanDerWaalsContact C-N 3.35Å; D657-A659 PolarHBondContact O-N 3.25Å; A659-L662 CarbonylContact O-C 3.56Å; A659-R663 PolarHBondContact O-N 3.49Å; A659-R663 VanDerWaalsContact O-N 3.07Å; A659-W664 HydrophobicContact CB-CB 4.16Å; A659-W664 PolarHBondContact O-N 3.38Å; A659-G665 PolarHBondContact O-N 3.25Å |
| 660 | R | 94.4 | Very high | 89.8 | Confident | 67 Ų | 67 | 25.7 Ų | 25.7 | 25% | 0.253 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -66.1 | -46.1 | 175.3 | -70.5 | 164.7 | -171.3 | -93.4 | 11.3 | 111.9 | N656 D657 L658 L662 R663 S815 | N656-R660 VanDerWaalsContact O-CG 3.3Å; N656-R660 WeakPolarHBondContact O-CG 3.25Å; N656-R660 PolarHBondContact O-N 3.23Å; N656-R660 VanDerWaalsContact O-N 3.08Å; D657-R660 WeakPolarHBondContact O-CB 3.5Å; D657-R660 PolarHBondContact O-N 2.73Å; L658-R660 VanDerWaalsContact C-N 3.29Å; L658-R660 PolarHBondContact O-N 3.23Å; R660-L662 VanDerWaalsContact C-N 3.27Å; R660-L662 PolarHBondContact O-N 3.49Å; R660-R663 WeakPolarHBondContact O-CA 3.4Å; R660-R663 PolarHBondContact O-N 3.41Å; R660-S815 PolarHBondContact NH2-O 3.2Å; R660-S815 PolarHBondContact NH2-OG 3.19Å |
| 661 | V | 94.4 | Very high | 88.9 | Confident | 31 Ų | 31 | 33.5 Ų | 33.5 | 19% | 0.188 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.6 | -39.2 | 178.9 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | D657 L658 R663 I810 | D657-V661 PolarHBondContact O-N 3.16Å; L658-V661 PolarHBondContact O-N 3Å; V661-R663 PolarHBondContact O-N 2.96Å; V661-I810 HydrophobicContact CG2-CB 4.15Å; V661-I810 HydrophobicContact CG2-CD1 4.31Å |
| 662 | L | 96.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 5.3 | 174.1 | -63.2 | 175.6 | 0 | 0 | 0 | 114 | L649 L658 A659 R660 W664 V687 M904 K906 K907 | L649-L662 HydrophobicContact CD1-CD1 4.08Å; L649-L662 HydrophobicContact CG-CD1 4.38Å; L658-L662 HydrophobicContact CD1-CD1 4.22Å; L658-L662 HydrophobicContact CD1-CG 4.45Å; L658-L662 HydrophobicContact CG-CD1 4.04Å; L658-L662 WeakPolarHBondContact O-CB 3.43Å; L658-L662 WeakPolarHBondContact O-CG 3.15Å; L658-L662 PolarHBondContact O-N 3Å; A659-L662 CarbonylContact O-C 3.56Å; R660-L662 VanDerWaalsContact C-N 3.27Å; R660-L662 PolarHBondContact O-N 3.49Å; L662-W664 VanDerWaalsContact C-N 3.26Å; L662-W664 PolarHBondContact O-N 3.05Å; L662-V687 HydrophobicContact CD2-CG2 3.63Å; L662-M904 HydrophobicContact CD1-CB 3.85Å; L662-M904 HydrophobicContact CD1-CE 3.67Å; L662-M904 HydrophobicContact CD1-CG 4.26Å; L662-M904 HydrophobicContact CD2-CB 3.96Å; L662-K906 HydrophobicContact CD2-CB 4.28Å; L662-K906 WeakPolarHBondContact O-CA 3.49Å; L662-K907 PolarHBondContact O-N 3.45Å |
| 663 | R | 94.9 | Very high | 88.3 | Confident | 96 Ų | 96 | 42.6 Ų | 42.6 | 36% | 0.362 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 17.8 | 176.5 | -56 | 179.2 | 177.7 | 154.2 | 2.5 | 116.1 | A659 R660 V661 G665 K907 K909 | A659-R663 PolarHBondContact O-N 3.49Å; A659-R663 VanDerWaalsContact O-N 3.07Å; R660-R663 WeakPolarHBondContact O-CA 3.4Å; R660-R663 PolarHBondContact O-N 3.41Å; V661-R663 PolarHBondContact O-N 2.96Å; R663-G665 PolarHBondContact O-N 3.15Å; R663-K907 HydrophobicContact CB-CB 4.11Å; R663-K907 WeakPolarHBondContact O-CD 3.4Å; R663-K909 VanDerWaalsContact CZ-CE 3.46Å; R663-K909 VanDerWaalsContact NH2-CE 3.34Å |
| 664 | W | 95 | Very high | 88.9 | Confident | 23 Ų | 23 | 43.2 Ų | 43.2 | 9% | 0.087 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -77.4 | -12.4 | 171 | -66.4 | 104.5 | 0 | 0 | 0 | 113.5 | A648 L649 A659 L662 D680 V681 A684 L905 K907 | A648-W664 HydrophobicContact CB-CH2 4.14Å; A648-W664 HydrophobicContact CB-CZ2 3.54Å; L649-W664 WeakPolarHBondContact O-CB 3.03Å; A659-W664 HydrophobicContact CB-CB 4.16Å; A659-W664 PolarHBondContact O-N 3.38Å; L662-W664 VanDerWaalsContact C-N 3.26Å; L662-W664 PolarHBondContact O-N 3.05Å; W664-D680 HydrophobicContact CH2-CB 4.21Å; W664-D680 HydrophobicContact CZ3-CB 4Å; W664-V681 HydrophobicContact CH2-CB 4.33Å; W664-V681 HydrophobicContact CH2-CG2 3.55Å; W664-V681 HydrophobicContact CZ2-CG2 4.31Å; W664-V681 HydrophobicContact CZ3-CG2 4.12Å; W664-A684 HydrophobicContact CH2-CB 4.49Å; W664-A684 HydrophobicContact CZ2-CB 4.07Å; W664-L905 HydrophobicContact CZ2-CB 4.4Å; W664-L905 PolarHBondContact NE1-O 3.44Å; W664-K907 HydrophobicContact CD2-CB 4.11Å; W664-K907 HydrophobicContact CE3-CB 4.33Å; W664-K907 HydrophobicContact CE3-CD 4.05Å; W664-K907 HydrophobicContact CH2-CB 4.4Å; W664-K907 HydrophobicContact CZ2-CB 4.2Å; W664-K907 HydrophobicContact CZ3-CB 4.47Å; W664-K907 HydrophobicContact CZ3-CD 4.19Å; W664-K907 HydrophobicContact CZ3-CG 4.48Å |
| 665 | G | 91.1 | Very high | 89.5 | Confident | 29 Ų | 29 | 43.5 Ų | 43.5 | 30% | 0.299 | 25% | 0.249 | S | C | . | . | trans | 102.6 | -178.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A659 R663 | A659-G665 PolarHBondContact O-N 3.25Å; R663-G665 PolarHBondContact O-N 3.15Å | ||
| 666 | S | 88.2 | Confident | 89.9 | Confident | 64 Ų | 64 | 45 Ų | 45 | 45% | 0.448 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -81.6 | -16.7 | -171.8 | 55 | 0 | 0 | 0 | 0 | 114.7 | N656 | N656-S666 PolarHBondContact ND2-O 2.93Š|
| 667 | G | 87.6 | Confident | 90 | Very high | 21 Ų | 21 | 45.3 Ų | 45.3 | 22% | 0.216 | 25% | 0.249 | C | C | . | . | trans | 162.6 | 133.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P651 S669 | P651-G667 CarbonylContact O-C 3.55Å; P651-G667 VanDerWaalsContact O-CA 3.28Å; P651-G667 WeakPolarHBondContact O-CA 3.32Å; G667-S669 PolarHBondContact O-N 3.25Å | ||
| 668 | Y | 85.4 | Confident | 90.2 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 7% | 0.071 | 25% | 0.249 | C | C | . | . | trans | -66.9 | 128.6 | 172.8 | 178 | -111.7 | 0 | 0 | 0 | 110.2 | Q577 L581 L650 P651 L652 G670 D672 I677 R760 | Q577-Y668 PolarHBondContact OE1-O 3.33Å; L581-Y668 HydrophobicContact CD1-CD1 3.78Å; L581-Y668 HydrophobicContact CD1-CE1 3.61Å; L581-Y668 HydrophobicContact CD1-CG 4.46Å; L581-Y668 HydrophobicContact CD2-CE1 3.97Å; L581-Y668 HydrophobicContact CD2-CE2 4.38Å; L581-Y668 HydrophobicContact CG-CE1 3.85Å; L650-Y668 HydrophobicContact CD1-CD2 4.02Å; L650-Y668 HydrophobicContact CD1-CG 4.39Å; P651-Y668 PolarHBondContact O-N 3.27Å; L652-Y668 HydrophobicContact CD2-CD1 3.75Å; L652-Y668 HydrophobicContact CD2-CG 4.22Å; Y668-G670 VanDerWaalsContact CZ-CA 3.47Å; Y668-D672 HydrophobicContact CD2-CB 4.47Å; Y668-D672 HydrophobicContact CE2-CB 4.08Å; Y668-D672 PolarHBondContact OH-O 3.29Å; Y668-I677 HydrophobicContact CD2-CD1 4.15Å; Y668-I677 HydrophobicContact CE2-CD1 3.73Å; Y668-R760 PolarHBondContact O-NH1 3.16Å; Y668-R760 PolarHBondContact O-NH2 2.95Å | ||
| 669 | S | 77.9 | Confident | 90.2 | Very high | 58 Ų | 58 | 46.8 Ų | 46.8 | 41% | 0.406 | 26% | 0.256 | S | S | . | . | trans | -99.2 | -6.6 | -177.1 | 60.7 | 0 | 0 | 0 | 0 | 113.6 | G667 Q671 | G667-S669 PolarHBondContact O-N 3.25Å; S669-Q671 WeakPolarHBondContact OG-CB 3.26Å; S669-Q671 WeakPolarHBondContact OG-CG 3.49Å; S669-Q671 PolarHBondContact OG-N 2.99Å | ||
| 670 | G | 77.5 | Confident | 90.2 | Very high | 43 Ų | 43 | 47.6 Ų | 47.6 | 44% | 0.443 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 81.5 | -5.9 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y668 | Y668-G670 VanDerWaalsContact CZ-CA 3.47Š|
| 671 | Q | 75.5 | Confident | 90.4 | Very high | 171 Ų | 171 | 44.4 Ų | 44.4 | 80% | 0.799 | 25% | 0.248 | S | C | * | . | trans | -84.6 | -29.3 | -178.9 | -63.5 | -176.8 | -24 | 0 | 0 | 113.2 | S669 E673 | S669-Q671 WeakPolarHBondContact OG-CB 3.26Å; S669-Q671 WeakPolarHBondContact OG-CG 3.49Å; S669-Q671 PolarHBondContact OG-N 2.99Å; Q671-E673 PolarHBondContact O-N 3.44Å | ||
| 672 | D | 80 | Confident | 90.6 | Very high | 78 Ų | 78 | 44.2 Ų | 44.2 | 42% | 0.417 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -72.6 | 125.3 | 178.2 | -62.7 | -56.5 | 0 | 0 | 0 | 109.7 | Y668 I677 | Y668-D672 HydrophobicContact CD2-CB 4.47Å; Y668-D672 HydrophobicContact CE2-CB 4.08Å; Y668-D672 PolarHBondContact OH-O 3.29Å; D672-I677 HydrophobicContact CB-CD1 4.17Å; D672-I677 HydrophobicContact CB-CG1 4.23Å |
| 673 | E | 88.7 | Confident | 90.6 | Very high | 115 Ų | 115 | 46 Ų | 46 | 54% | 0.537 | 26% | 0.255 | S | S | . | . | trans | -65 | 129.8 | 177.2 | -170.7 | -178.6 | 175.7 | 0 | 0 | 110.1 | Q671 L675 Q676 I677 | Q671-E673 PolarHBondContact O-N 3.44Å; E673-L675 HydrophobicContact CG-CB 4.24Å; E673-L675 PolarHBondContact O-N 3.19Å; E673-L675 VanDerWaalsContact O-N 3.11Å; E673-Q676 HydrophobicContact CB-CB 4.36Å; E673-Q676 WeakPolarHBondContact O-CA 3.36Å; E673-Q676 WeakPolarHBondContact O-CB 3.3Å; E673-Q676 PolarHBondContact O-N 2.98Å; E673-I677 PolarHBondContact O-N 2.94Å | ||
| 674 | P | 93.2 | Very high | 90.7 | Very high | 21 Ų | 21 | 42 Ų | 42 | 14% | 0.136 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.3 | -33.8 | 179.9 | -30.3 | 37 | 0 | 0 | 0 | 114.2 | L581 C584 F585 L588 Q676 I677 L678 | L581-P674 HydrophobicContact CD2-CG 4.31Å; C584-P674 HydrophobicContact CB-CB 3.95Å; C584-P674 HydrophobicContact CB-CG 3.74Å; F585-P674 HydrophobicContact CD1-CB 4.47Å; F585-P674 HydrophobicContact CE1-CB 4.1Å; L588-P674 HydrophobicContact CD1-CB 3.77Å; P674-Q676 VanDerWaalsContact C-N 3.33Å; P674-Q676 PolarHBondContact O-N 3.04Å; P674-I677 PolarHBondContact O-N 2.69Å; P674-L678 WeakPolarHBondContact O-CG 3.01Å; P674-L678 PolarHBondContact O-N 3.48Å; P674-L678 VanDerWaalsContact O-N 3.17Å |
| 675 | L | 93.9 | Very high | 90.8 | Very high | 39 Ų | 39 | 45.5 Ų | 45.5 | 20% | 0.204 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 174 | 177.7 | 61.8 | 0 | 0 | 0 | 112.3 | L219 L588 E673 L678 K679 | L219-L675 HydrophobicContact CD1-CD1 3.88Å; L219-L675 HydrophobicContact CD2-CD1 3.9Å; L219-L675 HydrophobicContact CG-CD1 3.92Å; L588-L675 HydrophobicContact CD1-CB 4.19Å; L588-L675 HydrophobicContact CD2-CB 4.4Å; L588-L675 HydrophobicContact CD2-CD1 4.37Å; E673-L675 HydrophobicContact CG-CB 4.24Å; E673-L675 PolarHBondContact O-N 3.19Å; E673-L675 VanDerWaalsContact O-N 3.11Å; L675-L678 PolarHBondContact O-N 3.34Å; L675-K679 WeakPolarHBondContact O-CG 3.48Å; L675-K679 PolarHBondContact O-N 2.82Å; L675-K679 VanDerWaalsContact O-N 3.11Å |
| 676 | Q | 94.1 | Very high | 91 | Very high | 64 Ų | 64 | 49.3 Ų | 49.3 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.8 | -37.8 | 178 | -173.1 | 57.9 | 50 | 0 | 0 | 111.3 | E673 P674 L678 K679 D680 | E673-Q676 HydrophobicContact CB-CB 4.36Å; E673-Q676 WeakPolarHBondContact O-CA 3.36Å; E673-Q676 WeakPolarHBondContact O-CB 3.3Å; E673-Q676 PolarHBondContact O-N 2.98Å; P674-Q676 VanDerWaalsContact C-N 3.33Å; P674-Q676 PolarHBondContact O-N 3.04Å; Q676-L678 VanDerWaalsContact C-N 3.29Å; Q676-L678 PolarHBondContact O-N 2.72Å; Q676-K679 PolarHBondContact O-N 2.87Å; Q676-D680 PolarHBondContact NE2-OD1 3.18Å; Q676-D680 PolarHBondContact O-N 2.81Å |
| 677 | I | 95.7 | Very high | 91.4 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.2 | -46 | 174 | -66.1 | 166.8 | 0 | 0 | 0 | 110.3 | F585 L618 L650 Y668 D672 E673 P674 K679 D680 V681 | F585-I677 HydrophobicContact CZ-CG2 4.37Å; L618-I677 HydrophobicContact CD2-CG2 4.34Å; L650-I677 HydrophobicContact CD1-CD1 3.72Å; L650-I677 HydrophobicContact CD1-CG1 4.38Å; L650-I677 HydrophobicContact CD1-CG2 4.23Å; L650-I677 HydrophobicContact CD2-CD1 4.24Å; Y668-I677 HydrophobicContact CD2-CD1 4.15Å; Y668-I677 HydrophobicContact CE2-CD1 3.73Å; D672-I677 HydrophobicContact CB-CD1 4.17Å; D672-I677 HydrophobicContact CB-CG1 4.23Å; E673-I677 PolarHBondContact O-N 2.94Å; P674-I677 PolarHBondContact O-N 2.69Å; I677-K679 PolarHBondContact O-N 3.42Å; I677-D680 WeakPolarHBondContact O-CB 3.46Å; I677-D680 PolarHBondContact O-N 3.04Å; I677-V681 WeakPolarHBondContact O-CG2 3.1Å; I677-V681 PolarHBondContact O-N 2.85Å |
| 678 | L | 98.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 178.6 | -65.7 | -179.7 | 0 | 0 | 0 | 112.8 | L219 I222 L565 F585 L588 L589 L618 P674 L675 Q676 D680 V681 I682 | L219-L678 HydrophobicContact CD1-CD1 3.74Å; L219-L678 HydrophobicContact CD2-CB 3.59Å; L219-L678 HydrophobicContact CD2-CD1 4.1Å; I222-L678 HydrophobicContact CD1-CB 4.12Å; I222-L678 HydrophobicContact CD1-CD2 4.31Å; L565-L678 HydrophobicContact CD2-CD2 3.57Å; F585-L678 HydrophobicContact CD1-CD1 4.09Å; F585-L678 HydrophobicContact CD1-CD2 3.9Å; F585-L678 HydrophobicContact CD1-CG 4.06Å; F585-L678 HydrophobicContact CE1-CD1 4.39Å; F585-L678 HydrophobicContact CE1-CD2 3.77Å; F585-L678 HydrophobicContact CE1-CG 3.9Å; L588-L678 HydrophobicContact CB-CD1 3.93Å; L588-L678 HydrophobicContact CD1-CD1 4.04Å; L589-L678 HydrophobicContact CD1-CD1 4.14Å; L589-L678 HydrophobicContact CD1-CD2 4.07Å; L589-L678 HydrophobicContact CD2-CD1 4.06Å; L589-L678 HydrophobicContact CG-CD1 3.92Å; L618-L678 HydrophobicContact CD2-CD2 4.3Å; P674-L678 WeakPolarHBondContact O-CG 3.01Å; P674-L678 PolarHBondContact O-N 3.48Å; P674-L678 VanDerWaalsContact O-N 3.17Å; L675-L678 PolarHBondContact O-N 3.34Å; Q676-L678 VanDerWaalsContact C-N 3.29Å; Q676-L678 PolarHBondContact O-N 2.72Å; L678-D680 VanDerWaalsContact C-N 3.33Å; L678-V681 WeakPolarHBondContact O-CB 3.37Å; L678-V681 PolarHBondContact O-N 2.88Å; L678-I682 WeakPolarHBondContact O-CG1 3.48Å; L678-I682 PolarHBondContact O-N 2.94Å; L678-I682 VanDerWaalsContact O-N 3.15Å |
| 679 | K | 96.6 | Very high | 92.3 | Very high | 35 Ų | 35 | 48.7 Ų | 48.7 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 172.6 | -71.8 | 174.2 | 179.4 | 178.8 | 0 | 111.6 | L675 Q676 I677 V681 I682 D683 Y914 | L675-K679 WeakPolarHBondContact O-CG 3.48Å; L675-K679 PolarHBondContact O-N 2.82Å; L675-K679 VanDerWaalsContact O-N 3.11Å; Q676-K679 PolarHBondContact O-N 2.87Å; I677-K679 PolarHBondContact O-N 3.42Å; K679-V681 PolarHBondContact O-N 3.18Å; K679-I682 WeakPolarHBondContact O-CB 3.49Å; K679-I682 PolarHBondContact O-N 3.32Å; K679-I682 VanDerWaalsContact O-N 3.12Å; K679-D683 PolarHBondContact O-N 3.45Å; K679-D683 VanDerWaalsContact O-N 3.1Å; K679-Y914 HydrophobicContact CB-CD2 4.39Å; K679-Y914 HydrophobicContact CB-CE2 3.98Å; K679-Y914 HydrophobicContact CD-CD2 4.07Å; K679-Y914 HydrophobicContact CD-CE2 4.45Å; K679-Y914 HydrophobicContact CG-CD2 4.25Å; K679-Y914 HydrophobicContact CG-CE2 4.14Å |
| 680 | D | 96.5 | Very high | 93.1 | Very high | 20 Ų | 20 | 46.1 Ų | 46.1 | 11% | 0.107 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.3 | -30.4 | 177 | -63.6 | -19.6 | 0 | 0 | 0 | 111.8 | W664 Q676 I677 L678 A684 K907 | W664-D680 HydrophobicContact CH2-CB 4.21Å; W664-D680 HydrophobicContact CZ3-CB 4Å; Q676-D680 PolarHBondContact NE2-OD1 3.18Å; Q676-D680 PolarHBondContact O-N 2.81Å; I677-D680 WeakPolarHBondContact O-CB 3.46Å; I677-D680 PolarHBondContact O-N 3.04Å; L678-D680 VanDerWaalsContact C-N 3.33Å; D680-A684 WeakPolarHBondContact O-CB 3.34Å; D680-A684 PolarHBondContact O-N 3.22Å; D680-A684 VanDerWaalsContact O-N 3.11Å; D680-K907 HydrophobicContact CB-CD 4.43Å; D680-K907 HydrophobicContact CB-CG 4.45Å; D680-K907 WeakPolarHBondContact OD2-CE 3.48Å; D680-K907 IonicContact OD2-NZ 2.73Å; D680-K907 PolarHBondContact OD2-NZ 3.11Å |
| 681 | V | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.3 | -37.2 | 173.2 | 171.4 | 0 | 0 | 0 | 0 | 112 | L565 L618 A648 W664 I677 L678 K679 A684 L905 | L565-V681 HydrophobicContact CD1-CG1 3.93Å; L565-V681 HydrophobicContact CD2-CG1 4.27Å; L618-V681 HydrophobicContact CD1-CG2 4.14Å; A648-V681 HydrophobicContact CB-CG2 3.99Å; W664-V681 HydrophobicContact CH2-CB 4.33Å; W664-V681 HydrophobicContact CH2-CG2 3.55Å; W664-V681 HydrophobicContact CZ2-CG2 4.31Å; W664-V681 HydrophobicContact CZ3-CG2 4.12Å; I677-V681 WeakPolarHBondContact O-CG2 3.1Å; I677-V681 PolarHBondContact O-N 2.85Å; L678-V681 WeakPolarHBondContact O-CB 3.37Å; L678-V681 PolarHBondContact O-N 2.88Å; K679-V681 PolarHBondContact O-N 3.18Å; V681-A684 PolarHBondContact O-N 3.46Å; V681-L905 HydrophobicContact CG1-CD1 4.14Å |
| 682 | I | 97.6 | Very high | 95 | Very high | 26 Ų | 26 | 36 Ų | 36 | 13% | 0.133 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 175.6 | -63.3 | 165.3 | 0 | 0 | 0 | 110.1 | P218 L219 P221 I222 L678 K679 A684 Y914 | P218-I682 WeakPolarHBondContact O-CD1 3.23Å; L219-I682 HydrophobicContact CD2-CD1 4.27Å; P221-I682 HydrophobicContact CB-CG2 4.09Å; P221-I682 HydrophobicContact CG-CD1 4.39Å; P221-I682 HydrophobicContact CG-CG2 4.08Å; I222-I682 HydrophobicContact CB-CG1 4.43Å; I222-I682 HydrophobicContact CD1-CD1 4.15Å; I222-I682 HydrophobicContact CD1-CG1 3.95Å; I222-I682 HydrophobicContact CG1-CD1 3.99Å; I222-I682 HydrophobicContact CG1-CG1 3.93Å; I222-I682 HydrophobicContact CG2-CG1 3.74Å; L678-I682 WeakPolarHBondContact O-CG1 3.48Å; L678-I682 PolarHBondContact O-N 2.94Å; L678-I682 VanDerWaalsContact O-N 3.15Å; K679-I682 WeakPolarHBondContact O-CB 3.49Å; K679-I682 PolarHBondContact O-N 3.32Å; K679-I682 VanDerWaalsContact O-N 3.12Å; I682-A684 VanDerWaalsContact C-N 3.3Å; I682-A684 PolarHBondContact O-N 3.44Å; I682-Y914 WeakPolarHBondContact CB-OH 3.16Å; I682-Y914 WeakPolarHBondContact CG2-OH 3.44Å |
| 683 | D | 96.4 | Very high | 95.8 | Very high | 38 Ų | 38 | 32.7 Ų | 32.7 | 20% | 0.203 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -80.8 | -3.3 | -177.3 | -75.3 | -30.9 | 0 | 0 | 0 | 114.3 | K679 Y914 | K679-D683 PolarHBondContact O-N 3.45Å; K679-D683 VanDerWaalsContact O-N 3.1Å; D683-Y914 PolarHBondContact OD1-OH 2.94Å; D683-Y914 WeakPolarHBondContact OD2-CE2 3.24Å |
| 684 | A | 97.7 | Very high | 96.2 | Very high | 11 Ų | 11 | 27.5 Ų | 27.5 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 146.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | W664 D680 V681 I682 L905 K906 | W664-A684 HydrophobicContact CH2-CB 4.49Å; W664-A684 HydrophobicContact CZ2-CB 4.07Å; D680-A684 WeakPolarHBondContact O-CB 3.34Å; D680-A684 PolarHBondContact O-N 3.22Å; D680-A684 VanDerWaalsContact O-N 3.11Å; V681-A684 PolarHBondContact O-N 3.46Å; I682-A684 VanDerWaalsContact C-N 3.3Å; I682-A684 PolarHBondContact O-N 3.44Å; A684-L905 HydrophobicContact CB-CB 3.87Å; A684-L905 HydrophobicContact CB-CD2 4.12Å; A684-L905 HydrophobicContact CB-CG 4.43Å; A684-K906 WeakPolarHBondContact CA-O 3.2Å; A684-K906 WeakPolarHBondContact CB-O 3.39Å |
| 685 | E | 96.5 | Very high | 96.4 | Very high | 97 Ų | 97 | 27.9 Ų | 27.9 | 45% | 0.453 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 135.8 | 178.6 | -67.5 | 164.5 | -163.9 | 0 | 0 | 110 | L905 K906 | E685-L905 CarbonylContact O-C 3.57Å; E685-L905 WeakPolarHBondContact O-CA 3.47Å; E685-K906 PolarHBondContact N-O 3.21Å; E685-K906 PolarHBondContact O-N 3.23Å |
| 686 | E | 96.2 | Very high | 96.5 | Very high | 110 Ų | 110 | 26.5 Ų | 26.5 | 51% | 0.514 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 130.7 | 171.9 | -67.8 | 178.1 | -166.2 | 0 | 0 | 110.1 | P646 T903 M904 L905 | P646-E686 HydrophobicContact CB-CG 3.96Å; P646-E686 HydrophobicContact CG-CG 4.44Å; E686-T903 HydrophobicContact CB-CG2 4.14Å; E686-T903 HydrophobicContact CG-CG2 4.37Å; E686-M904 CarbonylContact C-O 3.49Å; E686-M904 WeakPolarHBondContact CA-O 3.34Å; E686-L905 HydrophobicContact CG-CD2 3.82Å |
| 687 | V | 95.8 | Very high | 96.4 | Very high | 24 Ų | 24 | 27.2 Ų | 27.2 | 15% | 0.145 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 145.4 | 176.4 | -61.5 | 0 | 0 | 0 | 0 | 109.5 | L662 M904 K906 | L662-V687 HydrophobicContact CD2-CG2 3.63Å; V687-M904 HydrophobicContact CG2-CB 4.06Å; V687-M904 PolarHBondContact N-O 2.84Å; V687-M904 PolarHBondContact O-N 2.88Å; V687-K906 HydrophobicContact CG1-CB 3.95Å; V687-K906 HydrophobicContact CG1-CD 3.97Å; V687-K906 HydrophobicContact CG2-CB 4.01Å |
| 688 | C | 95.2 | Very high | 96.2 | Very high | 65 Ų | 65 | 28.7 Ų | 28.7 | 44% | 0.439 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 148.8 | 173.8 | -62.1 | 0 | 0 | 0 | 0 | 110.6 | H834 | C688-H834 PolarHBondContact O-CD2 2.9Å |
| 689 | L | 96.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 119 | 166.3 | 176.3 | 66.3 | 0 | 0 | 0 | 108.2 | L630 L658 N731 I810 H834 A902 M904 | L630-L689 HydrophobicContact CD1-CD2 4.39Å; L658-L689 HydrophobicContact CD1-CD1 4.26Å; L658-L689 HydrophobicContact CD1-CD2 4.16Å; L658-L689 HydrophobicContact CD2-CD2 4.14Å; L689-N731 HydrophobicContact CD2-CB 4.43Å; L689-I810 HydrophobicContact CD1-CG2 4.28Å; L689-H834 HydrophobicContact CD1-CB 4.02Å; L689-A902 HydrophobicContact CB-CB 4.31Å; L689-A902 PolarHBondContact N-O 2.9Å; L689-A902 PolarHBondContact O-N 2.65Å; L689-M904 HydrophobicContact CB-CG 3.66Å; L689-M904 HydrophobicContact CD2-CG 4.02Å; L689-M904 HydrophobicContact CD2-SD 4.26Å; L689-M904 HydrophobicContact CG-CG 4.48Å |
| 690 | D | 95.7 | Very high | 94.1 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 134.7 | 168.5 | -77.7 | -16.1 | 0 | 0 | 0 | 109.5 | W692 N809 H834 Y835 G837 K897 | D690-W692 HydrophobicContact CB-CZ2 4.39Å; D690-N809 PolarHBondContact O-ND2 3.36Å; D690-H834 PolarHBondContact N-O 2.96Å; D690-Y835 VanDerWaalsContact OD2-C 3.26Å; D690-Y835 WeakPolarHBondContact OD2-CA 3.24Å; D690-G837 WeakPolarHBondContact OD2-CA 3.26Å; D690-G837 PolarHBondContact OD2-N 3.33Å; D690-K897 VanDerWaalsContact CG-CE 3.42Å; D690-K897 WeakPolarHBondContact OD1-CE 3.41Å; D690-K897 IonicContact OD1-NZ 2.78Å; D690-K897 PolarHBondContact OD1-NZ 3.1Å; D690-K897 WeakPolarHBondContact OD2-CE 3.42Å; D690-K897 IonicContact OD2-NZ 2.73Å; D690-K897 PolarHBondContact OD2-NZ 3.27Å |
| 691 | R | 96.2 | Very high | 92.4 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.011 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 146.6 | 174.8 | -58.4 | -178.7 | 69.6 | -162.1 | -6.3 | 108.3 | D634 I729 N731 S898 A902 | D634-R691 IonicContact OD1-CZ 3.17Å; D634-R691 IonicContact OD1-NH1 2.69Å; D634-R691 PolarHBondContact OD1-NH1 3.41Å; D634-R691 IonicContact OD2-CZ 3.75Å; D634-R691 VanDerWaalsContact OD2-CZ 3.24Å; D634-R691 IonicContact OD2-NH1 2.68Å; D634-R691 PolarHBondContact OD2-NH1 3.43Å; D634-R691 IonicContact OD2-NH2 2.65Å; D634-R691 PolarHBondContact OD2-NH2 3.34Å; R691-I729 HydrophobicContact CB-CG2 4.05Å; R691-N731 PolarHBondContact NE-OD1 2.86Å; R691-S898 WeakPolarHBondContact O-CB 3.14Å; R691-S898 PolarHBondContact O-N 2.98Å; R691-A902 HydrophobicContact CG-CB 4.46Å |
| 692 | W | 97.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 136.4 | -167.5 | -62.2 | 86.4 | 0 | 0 | 0 | 110.1 | D690 I729 M730 N809 G837 L838 L839 G867 I895 S896 K897 | D690-W692 HydrophobicContact CB-CZ2 4.39Å; W692-I729 CarbonylContact O-C 3.5Å; W692-I729 WeakPolarHBondContact O-CA 3.27Å; W692-M730 HydrophobicContact CB-CB 4.27Å; W692-M730 HydrophobicContact CB-CE 3.81Å; W692-M730 HydrophobicContact CG-CE 3.88Å; W692-M730 PolarHBondContact N-O 3.3Å; W692-M730 PolarHBondContact O-N 3.31Å; W692-N809 PolarHBondContact NE1-OD1 3.33Å; W692-G837 WeakPolarHBondContact CH2-O 3.42Å; W692-L838 WeakPolarHBondContact CZ2-O 3.35Å; W692-L839 HydrophobicContact CD2-CD1 3.73Å; W692-L839 HydrophobicContact CD2-CD2 3.77Å; W692-L839 HydrophobicContact CD2-CG 3.82Å; W692-L839 VanDerWaalsContact CE2-CD2 3.48Å; W692-L839 HydrophobicContact CE3-CD1 3.44Å; W692-L839 VanDerWaalsContact CE3-CD1 3.44Å; W692-L839 HydrophobicContact CE3-CD2 4.31Å; W692-L839 HydrophobicContact CE3-CG 3.85Å; W692-L839 HydrophobicContact CG-CD1 4.36Å; W692-L839 HydrophobicContact CG-CD2 4.1Å; W692-L839 HydrophobicContact CH2-CD1 4.07Å; W692-L839 HydrophobicContact CH2-CD2 4.34Å; W692-L839 HydrophobicContact CH2-CG 3.64Å; W692-L839 HydrophobicContact CZ2-CD1 4.33Å; W692-L839 HydrophobicContact CZ2-CD2 3.82Å; W692-L839 HydrophobicContact CZ2-CG 3.62Å; W692-L839 HydrophobicContact CZ3-CD1 3.62Å; W692-L839 HydrophobicContact CZ3-CG 3.75Å; W692-G867 WeakPolarHBondContact CZ3-O 3.47Å; W692-I895 HydrophobicContact CB-CG2 4.14Å; W692-I895 HydrophobicContact CE3-CG2 4.34Å; W692-S896 CarbonylContact C-O 3.57Å; W692-S896 WeakPolarHBondContact CA-O 3.38Å; W692-K897 HydrophobicContact CE3-CB 4.2Å; W692-K897 VanDerWaalsContact CE3-N 3.33Å; W692-K897 HydrophobicContact CH2-CB 4.38Å; W692-K897 HydrophobicContact CZ3-CB 4Å |
| 693 | A | 97 | Very high | 88.6 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 118.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | M727 I729 I895 S896 | A693-M727 HydrophobicContact CB-CE 3.46Å; A693-M727 VanDerWaalsContact CB-CE 3.46Å; A693-I729 HydrophobicContact CB-CD1 4.41Å; A693-I895 WeakPolarHBondContact O-CA 3.4Å; A693-S896 PolarHBondContact N-O 3.33Å; A693-S896 PolarHBondContact O-N 3.03Å; A693-S896 VanDerWaalsContact O-N 3.08Å |
| 694 | V | 96.7 | Very high | 86.7 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 107.3 | 170.2 | -177.4 | 0 | 0 | 0 | 0 | 107.1 | M727 I728 M730 F734 V881 F893 I895 | V694-M727 WeakPolarHBondContact O-CA 3.21Å; V694-I728 PolarHBondContact N-O 2.96Å; V694-I728 PolarHBondContact O-N 3.16Å; V694-M730 HydrophobicContact CG2-CB 3.82Å; V694-M730 HydrophobicContact CG2-SD 4.25Å; V694-F734 HydrophobicContact CG1-CD2 4.16Å; V694-F734 HydrophobicContact CG1-CE2 4.19Å; V694-V881 HydrophobicContact CG2-CG1 4.5Å; V694-F893 HydrophobicContact CG1-CD1 4.45Å; V694-I895 HydrophobicContact CG1-CG1 4.28Å; V694-I895 HydrophobicContact CG2-CD1 4.24Å; V694-I895 HydrophobicContact CG2-CG1 4.13Å; V694-I895 HydrophobicContact CG2-CG2 4.16Å |
| 695 | V | 96.3 | Very high | 84.7 | Confident | 28 Ų | 28 | 47.7 Ų | 47.7 | 17% | 0.17 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 126.5 | 178.4 | -170 | 0 | 0 | 0 | 0 | 109 | H697 T725 S726 M727 F893 T894 | V695-H697 WeakPolarHBondContact CG1-CE1 3.34Å; V695-T725 HydrophobicContact CG1-CG2 3.57Å; V695-S726 CarbonylContact C-O 3.56Å; V695-S726 WeakPolarHBondContact CA-O 3.49Å; V695-M727 HydrophobicContact CG2-CB 4.48Å; V695-M727 HydrophobicContact CG2-CG 4.2Å; V695-F893 CarbonylContact O-C 3.52Å; V695-F893 WeakPolarHBondContact O-CA 3.33Å; V695-T894 PolarHBondContact N-O 2.91Å; V695-T894 PolarHBondContact O-N 3.04Å |
| 696 | F | 95.7 | Very high | 82.6 | Confident | 10 Ų | 10 | 49 Ų | 49 | 4% | 0.044 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 126.2 | 176.7 | 174.8 | -113.4 | 0 | 0 | 0 | 110.5 | P698 T725 S726 L888 P889 F893 | F696-P698 HydrophobicContact CD1-CG 4.26Å; F696-P698 HydrophobicContact CE1-CB 4.37Å; F696-P698 HydrophobicContact CE1-CG 3.71Å; F696-P698 HydrophobicContact CZ-CB 4.49Å; F696-P698 HydrophobicContact CZ-CG 4.29Å; F696-T725 WeakPolarHBondContact O-CA 3.31Å; F696-S726 PolarHBondContact N-O 3.5Å; F696-S726 PolarHBondContact O-N 2.82Å; F696-S726 VanDerWaalsContact O-N 3.1Å; F696-L888 HydrophobicContact CD1-CD1 3.88Å; F696-L888 HydrophobicContact CD1-CD2 4.4Å; F696-L888 HydrophobicContact CD2-CD1 4.23Å; F696-L888 HydrophobicContact CE1-CB 4.13Å; F696-L888 HydrophobicContact CE1-CD1 4.09Å; F696-L888 HydrophobicContact CE1-CD2 4.19Å; F696-L888 HydrophobicContact CE1-CG 4.38Å; F696-L888 HydrophobicContact CE2-CB 4.39Å; F696-L888 HydrophobicContact CE2-CD1 4.42Å; F696-L888 HydrophobicContact CG-CD1 3.94Å; F696-L888 HydrophobicContact CZ-CB 3.95Å; F696-L888 HydrophobicContact CZ-CD1 4.36Å; F696-P889 HydrophobicContact CE1-CG 4.27Å; F696-P889 HydrophobicContact CZ-CG 4.05Å; F696-P889 WeakPolarHBondContact CZ-O 3.1Å; F696-F893 HydrophobicContact CB-CD1 4.11Å; F696-F893 HydrophobicContact CB-CE1 4.06Å; F696-F893 AromaticContact CD2-CD1 3.72Å; F696-F893 HydrophobicContact CD2-CD1 3.72Å; F696-F893 HydrophobicContact CD2-CD2 4.2Å; F696-F893 AromaticContact CD2-CE1 3.35Å; F696-F893 HydrophobicContact CD2-CE1 3.35Å; F696-F893 AromaticContact CD2-CE2 3.87Å; F696-F893 HydrophobicContact CD2-CE2 3.87Å; F696-F893 HydrophobicContact CD2-CG 4.13Å; F696-F893 AromaticContact CD2-CZ 3.42Å; F696-F893 HydrophobicContact CD2-CZ 3.42Å; F696-F893 VanDerWaalsContact CD2-CZ 3.42Å; F696-F893 HydrophobicContact CE2-CE1 4.01Å; F696-F893 AromaticContact CE2-CE2 3.86Å; F696-F893 HydrophobicContact CE2-CE2 3.86Å; F696-F893 AromaticContact CE2-CZ 3.58Å; F696-F893 HydrophobicContact CE2-CZ 3.58Å; F696-F893 HydrophobicContact CG-CD1 4.3Å; F696-F893 AromaticContact CG-CE1 3.91Å; F696-F893 HydrophobicContact CG-CE1 3.91Å; F696-F893 HydrophobicContact CG-CZ 4.31Å |
| 697 | H | 93.2 | Very high | 80.6 | Confident | 80 Ų | 80 | 50.4 Ų | 50.4 | 37% | 0.37 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 113.7 | 173.1 | -58.7 | 86.6 | 0 | 0 | 0 | 108.6 | V695 T725 G891 T892 | V695-H697 WeakPolarHBondContact CG1-CE1 3.34Å; H697-T725 PolarHBondContact CD2-OG1 3.1Å; H697-T725 VanDerWaalsContact CD2-OG1 3.25Å; H697-T725 WeakPolarHBondContact NE2-CG2 3.08Å; H697-G891 CarbonylContact O-C 3.54Å; H697-G891 VanDerWaalsContact O-CA 3.23Å; H697-G891 WeakPolarHBondContact O-CA 3.33Å; H697-T892 PolarHBondContact N-O 3.25Å; H697-T892 PolarHBondContact O-N 3.45Å |
| 698 | P | 90.7 | Very high | 78.4 | Confident | 38 Ų | 38 | 51.8 Ų | 51.8 | 25% | 0.247 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 142.7 | 172.3 | -22.8 | 34.6 | 0 | 0 | 0 | 110.9 | F696 Q724 | F696-P698 HydrophobicContact CD1-CG 4.26Å; F696-P698 HydrophobicContact CE1-CB 4.37Å; F696-P698 HydrophobicContact CE1-CG 3.71Å; F696-P698 HydrophobicContact CZ-CB 4.49Å; F696-P698 HydrophobicContact CZ-CG 4.29Å; P698-Q724 WeakPolarHBondContact CD-O 3.45Å; P698-Q724 HydrophobicContact CG-CB 4.1Å |
| 699 | Q | 81.7 | Confident | 76 | Confident | 41 Ų | 41 | 58 Ų | 58 | 19% | 0.192 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 136.5 | 175.1 | -174 | 162.3 | 44.5 | 0 | 0 | 110.3 | E703 A890 | Q699-E703 HydrophobicContact CG-CB 3.77Å; Q699-E703 VanDerWaalsContact NE2-CB 3.33Å; Q699-E703 PolarHBondContact NE2-OE2 3.28Å; Q699-A890 PolarHBondContact N-O 3.09Å |
| 700 | E | 70.5 | Confident | 73.6 | Confident | 106 Ų | 106 | 65.6 Ų | 65.6 | 50% | 0.495 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 143.6 | 172.6 | -74.3 | -164.9 | 177.4 | 0 | 0 | 110.8 | S702 E703 | E700-S702 WeakPolarHBondContact CB-OG 3.12Å; E700-S702 PolarHBondContact O-N 3.08Å; E700-S702 PolarHBondContact OE2-OG 3.46Å; E700-E703 HydrophobicContact CB-CG 4.45Å; E700-E703 PolarHBondContact O-N 2.97Å |
| 701 | P | 59.9 | Low | 71.2 | Confident | 71 Ų | 71 | 70.6 Ų | 70.6 | 46% | 0.461 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -54.7 | -27.6 | 177.5 | -24.3 | 32.3 | 0 | 0 | 0 | 114.1 | E703 L716 | P701-E703 VanDerWaalsContact C-N 3.31Å; P701-E703 PolarHBondContact O-N 3.28Å; P701-L716 HydrophobicContact CG-CD1 4.33Å |
| 702 | S | 58.7 | Low | 68.7 | Low | 91 Ų | 91 | 76.1 Ų | 76.1 | 64% | 0.636 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -67.7 | -25.6 | 179.4 | 55 | 0 | 0 | 0 | 0 | 113.8 | E700 | E700-S702 WeakPolarHBondContact CB-OG 3.12Å; E700-S702 PolarHBondContact O-N 3.08Å; E700-S702 PolarHBondContact OE2-OG 3.46Å |
| 703 | E | 57 | Low | 66.2 | Low | 125 Ų | 125 | 83.2 Ų | 83.2 | 58% | 0.584 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -94.7 | -7.4 | -175.3 | -61.8 | -173.6 | 169.8 | 0 | 0 | 113.7 | Q699 E700 P701 | Q699-E703 HydrophobicContact CG-CB 3.77Å; Q699-E703 VanDerWaalsContact NE2-CB 3.33Å; Q699-E703 PolarHBondContact NE2-OE2 3.28Å; E700-E703 HydrophobicContact CB-CG 4.45Å; E700-E703 PolarHBondContact O-N 2.97Å; P701-E703 VanDerWaalsContact C-N 3.31Å; P701-E703 PolarHBondContact O-N 3.28Å |
| 704 | L | 55.7 | Low | 63.8 | Low | 33 Ų | 33 | 88.5 Ų | 88.5 | 17% | 0.173 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -67.5 | 138.4 | 178.2 | -74.4 | 162 | 0 | 0 | 0 | 110 | S706 A890 | L704-S706 PolarHBondContact O-N 2.86Å; L704-A890 HydrophobicContact CD2-CB 4.17Å |
| 705 | P | 56.8 | Low | 61 | Low | 61 Ų | 61 | 97.4 Ų | 97.4 | 40% | 0.396 | 52% | 0.518 | S | S | . | . | trans | -53.5 | 138.2 | 169.9 | -19.8 | 29 | 0 | 0 | 0 | 109.7 | N707 V708 | P705-N707 PolarHBondContact O-N 3.41Å; P705-V708 HydrophobicContact CB-CG2 4.31Å; P705-V708 HydrophobicContact CG-CG2 4.32Å; P705-V708 PolarHBondContact O-N 2.9Å; P705-V708 VanDerWaalsContact O-N 3.14Å | ||
| 706 | S | 53 | Low | 58.4 | Low | 124 Ų | 124 | 101.3 Ų | 101.3 | 87% | 0.867 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -1.7 | -177.5 | 47.3 | 0 | 0 | 0 | 0 | 115.3 | L704 | L704-S706 PolarHBondContact O-N 2.86Š|
| 707 | N | 52.9 | Low | 55.7 | Low | 141 Ų | 141 | 105.7 Ų | 105.7 | 75% | 0.754 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -2.4 | -174.1 | -31.5 | -11.7 | 0 | 0 | 0 | 112.5 | P705 | P705-N707 PolarHBondContact O-N 3.41Š|
| 708 | V | 49.6 | Very low | 52.9 | Low | 53 Ų | 53 | 111.4 Ų | 111.4 | 32% | 0.321 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -87.4 | 116.8 | -177.1 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | P705 Q710 | P705-V708 HydrophobicContact CB-CG2 4.31Å; P705-V708 HydrophobicContact CG-CG2 4.32Å; P705-V708 PolarHBondContact O-N 2.9Å; P705-V708 VanDerWaalsContact O-N 3.14Å; V708-Q710 PolarHBondContact O-N 2.91Å; V708-Q710 VanDerWaalsContact O-N 3.14Å |
| 709 | E | 44.8 | Very low | 50.8 | Low | 195 Ų | 195 | 111.6 Ų | 111.6 | 91% | 0.911 | 60% | 0.598 | S | S | * | * | trans | -55.7 | 115.1 | 174.7 | -73.6 | -178.9 | 160.8 | 0 | 0 | 110.4 | ||||
| 710 | Q | 47 | Very low | 49.2 | Very low | 161 Ų | 161 | 114.5 Ų | 114.5 | 75% | 0.752 | 61% | 0.614 | S | S | * | * | trans | -79.1 | 128.3 | 175.6 | -65.9 | 179.9 | 6.9 | 0 | 0 | 109.5 | V708 P712 | V708-Q710 PolarHBondContact O-N 2.91Å; V708-Q710 VanDerWaalsContact O-N 3.14Å; Q710-P712 WeakPolarHBondContact O-CD 3.3Å | ||
| 711 | N | 44.5 | Very low | 48.1 | Very low | 108 Ų | 108 | 113 Ų | 113 | 58% | 0.578 | 61% | 0.614 | S | S | * | * | trans | -78 | 118.9 | 173.7 | -163 | 5.3 | 0 | 0 | 0 | 109.2 | D713 | N711-D713 VanDerWaalsContact C-N 3.29Å; N711-D713 PolarHBondContact O-N 2.64Å | ||
| 712 | P | 44 | Very low | 47.6 | Very low | 118 Ų | 118 | 117.5 Ų | 117.5 | 77% | 0.766 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -12.1 | -169.8 | 23.7 | -31 | 0 | 0 | 0 | 115.5 | Q710 R714 | Q710-P712 WeakPolarHBondContact O-CD 3.3Å; P712-R714 PolarHBondContact O-N 3.15Å; P712-R714 VanDerWaalsContact O-N 3.15Å |
| 713 | D | 44.4 | Very low | 47.4 | Very low | 149 Ų | 149 | 120 Ų | 120 | 80% | 0.797 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | 22.6 | 179.5 | -69.7 | -25.6 | 0 | 0 | 0 | 114.2 | N711 E715 | N711-D713 VanDerWaalsContact C-N 3.29Å; N711-D713 PolarHBondContact O-N 2.64Å; D713-E715 PolarHBondContact O-N 3.31Å |
| 714 | R | 47.2 | Very low | 47.6 | Very low | 119 Ų | 119 | 118 Ų | 118 | 45% | 0.449 | 62% | 0.621 | S | S | . | * | trans | -84.3 | 92.5 | -179.3 | -84.1 | -173.6 | 173.1 | -173.4 | -0.3 | 112 | P712 L716 D876 | P712-R714 PolarHBondContact O-N 3.15Å; P712-R714 VanDerWaalsContact O-N 3.15Å; R714-L716 PolarHBondContact O-N 2.69Å; R714-D876 IonicContact NH2-OD1 3.4Å | ||
| 715 | E | 37.5 | Very low | 48.6 | Very low | 194 Ų | 194 | 118.9 Ų | 118.9 | 91% | 0.907 | 63% | 0.628 | S | S | * | * | trans | -73.3 | 96.3 | 153.7 | -69.7 | -174.1 | 173.3 | 0 | 0 | 108.4 | D713 P717 | D713-E715 PolarHBondContact O-N 3.31Å; E715-P717 WeakPolarHBondContact O-CD 3.39Å | ||
| 716 | L | 42.1 | Very low | 50 | Low | 110 Ų | 110 | 118.3 Ų | 118.3 | 58% | 0.576 | 63% | 0.625 | S | S | * | * | trans | -77.9 | 119.7 | 170.9 | -73.6 | 165 | 0 | 0 | 0 | 108.6 | P701 R714 M718 | P701-L716 HydrophobicContact CG-CD1 4.33Å; R714-L716 PolarHBondContact O-N 2.69Å; L716-M718 PolarHBondContact O-N 2.87Å; L716-M718 VanDerWaalsContact O-N 3.15Å | ||
| 717 | P | 37.9 | Very low | 51.7 | Low | 101 Ų | 101 | 118 Ų | 118 | 66% | 0.656 | 61% | 0.612 | S | S | * | * | trans | -66.4 | 117 | 167.3 | -5.3 | 20.3 | 0 | 0 | 0 | 107.6 | E715 S719 | E715-P717 WeakPolarHBondContact O-CD 3.39Å; P717-S719 PolarHBondContact O-N 3.28Å; P717-S719 PolarHBondContact O-OG 2.9Å; P717-S719 VanDerWaalsContact O-OG 3.08Å | ||
| 718 | M | 35.4 | Very low | 53.5 | Low | 200 Ų | 200 | 114.3 Ų | 114.3 | 99% | 0.985 | 59% | 0.591 | S | S | * | * | trans | -56.5 | 90.3 | 164.7 | -73.6 | -97 | -66.2 | 0 | 0 | 108.5 | L716 | L716-M718 PolarHBondContact O-N 2.87Å; L716-M718 VanDerWaalsContact O-N 3.15Å | ||
| 719 | S | 45.8 | Very low | 55.7 | Low | 42 Ų | 42 | 113 Ų | 113 | 29% | 0.294 | 58% | 0.583 | S | S | . | * | trans | -143.4 | 144.1 | 179.3 | 49.8 | 0 | 0 | 0 | 0 | 108.2 | P717 E723 Q724 | P717-S719 PolarHBondContact O-N 3.28Å; P717-S719 PolarHBondContact O-OG 2.9Å; P717-S719 VanDerWaalsContact O-OG 3.08Å; S719-E723 WeakPolarHBondContact CB-OE2 3.24Å; S719-Q724 PolarHBondContact O-NE2 3.49Å | ||
| 720 | N | 49 | Very low | 58.1 | Low | 102 Ų | 102 | 103.8 Ų | 103.8 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | trans | -52.6 | 142.4 | -172.7 | -110.5 | -13.3 | 0 | 0 | 0 | 110.9 | E722 E723 Q724 | N720-E722 PolarHBondContact O-N 3.24Å; N720-E722 VanDerWaalsContact O-N 3.13Å; N720-E723 HydrophobicContact CB-CG 4.21Å; N720-E723 WeakPolarHBondContact O-CB 3.32Å; N720-E723 PolarHBondContact O-N 2.91Å; N720-Q724 PolarHBondContact O-N 2.73Å | ||
| 721 | P | 47.1 | Very low | 60.4 | Low | 76 Ų | 76 | 96.5 Ų | 96.5 | 49% | 0.494 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.5 | -28.5 | 176.5 | 9.2 | -15.8 | 0 | 0 | 0 | 113.1 | E723 Q724 T725 | P721-E723 VanDerWaalsContact C-N 3.29Å; P721-E723 PolarHBondContact O-N 2.89Å; P721-Q724 PolarHBondContact O-N 2.86Å; P721-T725 PolarHBondContact O-N 3.24Å; P721-T725 PolarHBondContact O-OG1 3.34Å |
| 722 | E | 50 | Low | 62.9 | Low | 164 Ų | 164 | 91.5 Ų | 91.5 | 77% | 0.766 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.3 | -34.1 | 172 | -65.9 | -175.2 | 167.5 | 0 | 0 | 112.7 | N720 Q724 | N720-E722 PolarHBondContact O-N 3.24Å; N720-E722 VanDerWaalsContact O-N 3.13Å; E722-Q724 VanDerWaalsContact C-N 3.32Å |
| 723 | E | 54.1 | Low | 65.4 | Low | 144 Ų | 144 | 86.8 Ų | 86.8 | 67% | 0.673 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -77.5 | -19 | 178.1 | -64.7 | -179.4 | 161.8 | 0 | 0 | 112.7 | S719 N720 P721 | S719-E723 WeakPolarHBondContact CB-OE2 3.24Å; N720-E723 HydrophobicContact CB-CG 4.21Å; N720-E723 WeakPolarHBondContact O-CB 3.32Å; N720-E723 PolarHBondContact O-N 2.91Å; P721-E723 VanDerWaalsContact C-N 3.29Å; P721-E723 PolarHBondContact O-N 2.89Å |
| 724 | Q | 61.5 | Low | 67.9 | Low | 83 Ų | 83 | 79.7 Ų | 79.7 | 39% | 0.388 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -85.9 | -14 | 178 | -78 | -177.5 | 64.1 | 0 | 0 | 113.4 | P698 S719 N720 P721 E722 | P698-Q724 WeakPolarHBondContact CD-O 3.45Å; P698-Q724 HydrophobicContact CG-CB 4.1Å; S719-Q724 PolarHBondContact O-NE2 3.49Å; N720-Q724 PolarHBondContact O-N 2.73Å; P721-Q724 PolarHBondContact O-N 2.86Å; E722-Q724 VanDerWaalsContact C-N 3.32Å |
| 725 | T | 76.8 | Confident | 70.3 | Confident | 52 Ų | 52 | 74 Ų | 74 | 32% | 0.319 | 39% | 0.387 | S | S | . | . | trans | -74.9 | 128.9 | 176.4 | -57.6 | 0 | 0 | 0 | 0 | 109.2 | V695 F696 H697 P721 | V695-T725 HydrophobicContact CG1-CG2 3.57Å; F696-T725 WeakPolarHBondContact O-CA 3.31Å; H697-T725 PolarHBondContact CD2-OG1 3.1Å; H697-T725 VanDerWaalsContact CD2-OG1 3.25Å; H697-T725 WeakPolarHBondContact NE2-CG2 3.08Å; P721-T725 PolarHBondContact O-N 3.24Å; P721-T725 PolarHBondContact O-OG1 3.34Å | ||
| 726 | S | 85 | Confident | 73.1 | Confident | 48 Ų | 48 | 64.8 Ų | 64.8 | 34% | 0.336 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 144.2 | 175.7 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | V695 F696 | V695-S726 CarbonylContact C-O 3.56Å; V695-S726 WeakPolarHBondContact CA-O 3.49Å; F696-S726 PolarHBondContact N-O 3.5Å; F696-S726 PolarHBondContact O-N 2.82Å; F696-S726 VanDerWaalsContact O-N 3.1Å |
| 727 | M | 89.2 | Confident | 75.6 | Confident | 119 Ų | 119 | 59.6 Ų | 59.6 | 59% | 0.586 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129 | 178.2 | 178.7 | -173.4 | 177.5 | 0 | 0 | 109.1 | A693 V694 V695 I729 | A693-M727 HydrophobicContact CB-CE 3.46Å; A693-M727 VanDerWaalsContact CB-CE 3.46Å; V694-M727 WeakPolarHBondContact O-CA 3.21Å; V695-M727 HydrophobicContact CG2-CB 4.48Å; V695-M727 HydrophobicContact CG2-CG 4.2Å; M727-I729 HydrophobicContact CE-CD1 3.77Å |
| 728 | I | 91.6 | Very high | 78.2 | Confident | 62 Ų | 62 | 55.1 Ų | 55.1 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 136.3 | 177.1 | -58.3 | 175.4 | 0 | 0 | 0 | 108.5 | V694 V881 | V694-I728 PolarHBondContact N-O 2.96Å; V694-I728 PolarHBondContact O-N 3.16Å; I728-V881 HydrophobicContact CD1-CG2 4.34Å; I728-V881 HydrophobicContact CG2-CB 4.15Å; I728-V881 HydrophobicContact CG2-CG1 3.98Å; I728-V881 HydrophobicContact CG2-CG2 4.24Å |
| 729 | I | 94.8 | Very high | 80.9 | Confident | 27 Ų | 27 | 46.5 Ų | 46.5 | 14% | 0.138 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 124.4 | 172.4 | -56.9 | -61.2 | 0 | 0 | 0 | 109.9 | R691 W692 A693 M727 L900 | R691-I729 HydrophobicContact CB-CG2 4.05Å; W692-I729 CarbonylContact O-C 3.5Å; W692-I729 WeakPolarHBondContact O-CA 3.27Å; A693-I729 HydrophobicContact CB-CD1 4.41Å; M727-I729 HydrophobicContact CE-CD1 3.77Å; I729-L900 HydrophobicContact CD1-CD1 4.32Å |
| 730 | M | 95.7 | Very high | 83.2 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 133.7 | 175.5 | -178.1 | -169.7 | 86.4 | 0 | 0 | 110.2 | W692 V694 F734 N809 L839 V881 D882 I895 | W692-M730 HydrophobicContact CB-CB 4.27Å; W692-M730 HydrophobicContact CB-CE 3.81Å; W692-M730 HydrophobicContact CG-CE 3.88Å; W692-M730 PolarHBondContact N-O 3.3Å; W692-M730 PolarHBondContact O-N 3.31Å; V694-M730 HydrophobicContact CG2-CB 3.82Å; V694-M730 HydrophobicContact CG2-SD 4.25Å; M730-F734 HydrophobicContact SD-CB 3.49Å; M730-F734 WeakPolarHBondContact SD-CB 3.15Å; M730-F734 PolarHBondContact SD-N 3.49Å; M730-N809 HydrophobicContact CE-CB 4.17Å; M730-L839 HydrophobicContact CE-CD1 4.35Å; M730-L839 HydrophobicContact CE-CD2 3.66Å; M730-V881 HydrophobicContact CB-CG1 3.56Å; M730-V881 HydrophobicContact CG-CG1 3.79Å; M730-D882 WeakPolarHBondContact CG-OD1 3.23Å; M730-I895 HydrophobicContact CE-CG2 4.45Å |
| 731 | N | 95.7 | Very high | 85.3 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.043 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -113.4 | -31.9 | 179.3 | -49.3 | -76.6 | 0 | 0 | 0 | 111.9 | L689 R691 N809 D882 | L689-N731 HydrophobicContact CD2-CB 4.43Å; R691-N731 PolarHBondContact NE-OD1 2.86Å; N731-N809 PolarHBondContact O-ND2 3.32Å; N731-D882 WeakPolarHBondContact CB-OD2 3.21Å; N731-D882 PolarHBondContact N-OD1 3Å; N731-D882 PolarHBondContact N-OD2 3.45Å; N731-D882 PolarHBondContact ND2-OD2 2.88Å |
| 732 | N | 95.7 | Very high | 87.5 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -111.4 | -66 | -173.2 | -64.7 | -16.5 | 0 | 0 | 0 | 111.8 | D623 L658 N809 I810 D882 | D623-N732 WeakPolarHBondContact CB-ND2 3.33Å; L658-N732 WeakPolarHBondContact CB-OD1 3.48Å; N732-N809 WeakPolarHBondContact O-CB 3.3Å; N732-N809 PolarHBondContact O-N 2.97Å; N732-I810 HydrophobicContact CB-CD1 3.74Å; N732-I810 HydrophobicContact CB-CG1 4.03Å; N732-I810 PolarHBondContact O-N 3.08Å; N732-I810 WeakPolarHBondContact OD1-CD1 2.99Å; N732-D882 WeakPolarHBondContact CA-OD1 3.44Å; N732-D882 WeakPolarHBondContact CB-OD1 3.1Å; N732-D882 PolarHBondContact N-OD1 3.38Å |
| 733 | Y | 96.8 | Very high | 89.5 | Confident | 20 Ų | 20 | 29.7 Ų | 29.7 | 8% | 0.078 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.8 | 154 | -175.6 | 51.6 | -94.4 | 0 | 0 | 0 | 113.4 | D657 I807 L808 I810 S812 W813 H880 D882 | D657-Y733 HydrophobicContact CB-CE1 4.24Å; D657-Y733 PolarHBondContact OD2-OH 3.4Å; Y733-I807 CarbonylContact C-O 3.56Å; Y733-I807 WeakPolarHBondContact CA-O 3.36Å; Y733-I807 WeakPolarHBondContact CB-O 3.42Å; Y733-L808 HydrophobicContact CD1-CD2 4.44Å; Y733-L808 HydrophobicContact CG-CD2 4.18Å; Y733-I810 HydrophobicContact CD1-CG1 4.49Å; Y733-S812 WeakPolarHBondContact CE1-O 3.47Å; Y733-W813 AromaticContact CD2-CD1 3.52Å; Y733-W813 HydrophobicContact CE1-CB 4.32Å; Y733-W813 AromaticContact CE2-CD1 3.31Å; Y733-W813 HydrophobicContact CE2-CG 4.33Å; Y733-W813 AromaticContact CE2-NE1 3.82Å; Y733-W813 AromaticContact CZ-CD1 3.69Å; Y733-H880 AromaticContact CD2-CE1 3.49Å; Y733-H880 VanDerWaalsContact CD2-CE1 3.49Å; Y733-H880 WeakPolarHBondContact CD2-CE1 3.39Å; Y733-H880 AromaticContact CE2-CE1 3.38Å; Y733-H880 WeakPolarHBondContact CE2-CE1 3.28Å; Y733-D882 PolarHBondContact N-OD1 3.17Å; Y733-D882 PolarHBondContact O-N 3.49Å |
| 734 | F | 97.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.2 | 173.7 | 169.6 | -90.7 | 0 | 0 | 0 | 109.2 | V694 M730 I736 V806 I807 I871 I879 H880 V881 F893 I895 | V694-F734 HydrophobicContact CG1-CD2 4.16Å; V694-F734 HydrophobicContact CG1-CE2 4.19Å; M730-F734 HydrophobicContact SD-CB 3.49Å; M730-F734 WeakPolarHBondContact SD-CB 3.15Å; M730-F734 PolarHBondContact SD-N 3.49Å; F734-I736 HydrophobicContact CE1-CB 3.72Å; F734-I736 HydrophobicContact CE1-CG2 3.81Å; F734-I736 HydrophobicContact CZ-CB 4.07Å; F734-I736 HydrophobicContact CZ-CD1 4.46Å; F734-V806 CarbonylContact O-C 3.48Å; F734-V806 WeakPolarHBondContact O-CA 3.45Å; F734-I807 HydrophobicContact CB-CB 4.27Å; F734-I807 HydrophobicContact CD1-CB 4.42Å; F734-I807 HydrophobicContact CD1-CD1 3.95Å; F734-I807 HydrophobicContact CD1-CG1 4.3Å; F734-I807 HydrophobicContact CE1-CD1 4.49Å; F734-I807 PolarHBondContact N-O 2.71Å; F734-I807 PolarHBondContact O-N 2.87Å; F734-I871 HydrophobicContact CE1-CD1 3.94Å; F734-I879 HydrophobicContact CE2-CB 3.98Å; F734-I879 HydrophobicContact CE2-CD1 4.39Å; F734-I879 HydrophobicContact CE2-CG2 4.16Å; F734-I879 HydrophobicContact CZ-CB 4.12Å; F734-I879 HydrophobicContact CZ-CG2 3.81Å; F734-H880 WeakPolarHBondContact CA-O 3.44Å; F734-V881 HydrophobicContact CD2-CG2 4.09Å; F734-F893 HydrophobicContact CE2-CD1 4.12Å; F734-F893 HydrophobicContact CE2-CE1 4.3Å; F734-F893 AromaticContact CZ-CD1 3.99Å; F734-F893 HydrophobicContact CZ-CD1 3.99Å; F734-F893 HydrophobicContact CZ-CE1 4.23Å; F734-F893 HydrophobicContact CZ-CG 4.24Å; F734-I895 HydrophobicContact CB-CD1 4.04Å; F734-I895 HydrophobicContact CD1-CD1 3.96Å; F734-I895 HydrophobicContact CD2-CD1 4.44Å; F734-I895 HydrophobicContact CG-CD1 3.9Å |
| 735 | G | 96.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 139.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | I879 H880 | G735-I879 CarbonylContact O-C 3.59Å; G735-I879 WeakPolarHBondContact O-CA 3.27Å; G735-H880 PolarHBondContact N-O 2.71Å; G735-H880 PolarHBondContact O-N 2.89Å |
| 736 | I | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 137.3 | 174.6 | -178.2 | 165.7 | 0 | 0 | 0 | 110.6 | F734 M788 G804 L805 I871 T873 I877 I879 F893 | F734-I736 HydrophobicContact CE1-CB 3.72Å; F734-I736 HydrophobicContact CE1-CG2 3.81Å; F734-I736 HydrophobicContact CZ-CB 4.07Å; F734-I736 HydrophobicContact CZ-CD1 4.46Å; I736-M788 HydrophobicContact CD1-CE 3.95Å; I736-M788 HydrophobicContact CG1-CE 4.12Å; I736-G804 CarbonylContact O-C 3.48Å; I736-G804 VanDerWaalsContact O-CA 3.3Å; I736-G804 WeakPolarHBondContact O-CA 3.3Å; I736-L805 HydrophobicContact CG2-CB 3.59Å; I736-L805 HydrophobicContact CG2-CD2 4.48Å; I736-L805 WeakPolarHBondContact CG2-O 3.31Å; I736-L805 PolarHBondContact N-O 2.88Å; I736-L805 PolarHBondContact O-N 3.09Å; I736-I871 HydrophobicContact CD1-CG2 4.38Å; I736-I871 HydrophobicContact CG2-CD1 4.48Å; I736-T873 HydrophobicContact CD1-CG2 3.8Å; I736-I877 HydrophobicContact CD1-CD1 3.87Å; I736-I877 HydrophobicContact CD1-CG1 4.38Å; I736-I877 HydrophobicContact CD1-CG2 3.88Å; I736-I877 HydrophobicContact CG1-CD1 3.57Å; I736-I877 HydrophobicContact CG1-CG1 3.88Å; I736-I877 HydrophobicContact CG1-CG2 4.14Å; I736-I879 HydrophobicContact CB-CG2 4Å; I736-I879 HydrophobicContact CD1-CG2 3.93Å; I736-I879 HydrophobicContact CG1-CG2 3.77Å; I736-F893 HydrophobicContact CD1-CE2 4.23Å |
| 737 | G | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 86.3 | -133.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | D739 A740 D741 C781 P878 | G737-D739 PolarHBondContact O-N 2.97Å; G737-A740 PolarHBondContact O-N 2.98Å; G737-A740 VanDerWaalsContact O-N 3.15Å; G737-D741 PolarHBondContact O-N 2.84Å; G737-C781 VanDerWaalsContact C-SG 3.54Å; G737-P878 PolarHBondContact N-O 3.05Å |
| 738 | L | 92.5 | Very high | 93.8 | Very high | 8 Ų | 8 | 16.5 Ų | 16.5 | 4% | 0.042 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -54.8 | -45.7 | -165.9 | 179.8 | 66 | 0 | 0 | 0 | 114.7 | D741 V742 C781 E803 V844 I847 L850 | L738-D741 PolarHBondContact O-N 2.9Å; L738-V742 PolarHBondContact O-N 2.93Å; L738-V742 VanDerWaalsContact O-N 3.13Å; L738-C781 HydrophobicContact CB-CB 4.45Å; L738-E803 HydrophobicContact CB-CB 4.15Å; L738-E803 VanDerWaalsContact CB-O 3.28Å; L738-E803 WeakPolarHBondContact CB-O 3.41Å; L738-E803 HydrophobicContact CD2-CB 4.19Å; L738-E803 PolarHBondContact N-O 3.16Å; L738-V844 HydrophobicContact CD2-CG1 4.38Å; L738-I847 HydrophobicContact CD1-CD1 4.46Å; L738-I847 HydrophobicContact CD2-CB 4.12Å; L738-I847 HydrophobicContact CD2-CD1 4.37Å; L738-I847 VanDerWaalsContact CD2-N 3.31Å; L738-L850 HydrophobicContact CD2-CD2 4.49Å |
| 739 | D | 92.1 | Very high | 93.7 | Very high | 18 Ų | 18 | 14.6 Ų | 14.6 | 10% | 0.096 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.1 | -49.2 | 178.6 | 178.4 | 28.7 | 0 | 0 | 0 | 111.3 | G737 D741 V742 C743 V806 W813 L850 H880 | G737-D739 PolarHBondContact O-N 2.97Å; D739-D741 VanDerWaalsContact C-N 3.29Å; D739-D741 PolarHBondContact O-N 3.29Å; D739-V742 WeakPolarHBondContact O-CB 3.44Å; D739-V742 PolarHBondContact O-N 3.19Å; D739-V742 VanDerWaalsContact O-N 3.09Å; D739-C743 PolarHBondContact O-N 2.65Å; D739-V806 HydrophobicContact CB-CG2 4.45Å; D739-W813 HydrophobicContact CB-CZ2 4.35Å; D739-W813 WeakPolarHBondContact OD1-CZ2 3.38Å; D739-W813 PolarHBondContact OD2-NE1 2.9Å; D739-L850 HydrophobicContact CB-CD1 4.3Å; D739-H880 IonicContact OD2-NE2 3.52Å; D739-H880 PolarHBondContact OD2-NE2 3.14Å; D739-H880 VanDerWaalsContact OD2-NE2 3.17Å |
| 740 | A | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.1 | -34.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G737 V742 C743 L744 P878 I879 H880 | G737-A740 PolarHBondContact O-N 2.98Å; G737-A740 VanDerWaalsContact O-N 3.15Å; A740-V742 VanDerWaalsContact C-N 3.35Å; A740-C743 PolarHBondContact O-N 3.48Å; A740-L744 VanDerWaalsContact O-CB 3.25Å; A740-L744 WeakPolarHBondContact O-CB 3.3Å; A740-L744 PolarHBondContact O-N 3.11Å; A740-P878 VanDerWaalsContact CB-C 3.48Å; A740-P878 HydrophobicContact CB-CB 3.96Å; A740-P878 WeakPolarHBondContact CB-O 3.32Å; A740-I879 VanDerWaalsContact CB-CA 3.42Å; A740-H880 HydrophobicContact CB-CB 4.45Å |
| 741 | D | 93.2 | Very high | 92.8 | Very high | 16 Ų | 16 | 24.5 Ų | 24.5 | 9% | 0.086 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.1 | -37.3 | 174.9 | -168.2 | 19.3 | 0 | 0 | 0 | 112.1 | G737 L738 D739 G745 K774 P878 | G737-D741 PolarHBondContact O-N 2.84Å; L738-D741 PolarHBondContact O-N 2.9Å; D739-D741 VanDerWaalsContact C-N 3.29Å; D739-D741 PolarHBondContact O-N 3.29Å; D741-G745 PolarHBondContact O-N 2.92Å; D741-K774 WeakPolarHBondContact OD1-CE 3.06Å; D741-K774 IonicContact OD1-NZ 2.71Å; D741-K774 PolarHBondContact OD1-NZ 3.41Å; D741-K774 WeakPolarHBondContact OD2-CD 2.95Å; D741-K774 VanDerWaalsContact OD2-CE 3.26Å; D741-K774 WeakPolarHBondContact OD2-CE 3.03Å; D741-K774 IonicContact OD2-NZ 3.62Å; D741-K774 PolarHBondContact OD2-NZ 2.86Å; D741-P878 HydrophobicContact CB-CB 4.29Å; D741-P878 HydrophobicContact CB-CG 3.81Å |
| 742 | V | 91.6 | Very high | 92.5 | Very high | 10 Ų | 10 | 30.7 Ų | 30.7 | 6% | 0.061 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.2 | -45.7 | 172.8 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | L738 D739 A740 L744 G745 F746 Y767 I770 K774 I847 L850 | L738-V742 PolarHBondContact O-N 2.93Å; L738-V742 VanDerWaalsContact O-N 3.13Å; D739-V742 WeakPolarHBondContact O-CB 3.44Å; D739-V742 PolarHBondContact O-N 3.19Å; D739-V742 VanDerWaalsContact O-N 3.09Å; A740-V742 VanDerWaalsContact C-N 3.35Å; V742-L744 PolarHBondContact O-N 2.86Å; V742-G745 PolarHBondContact O-N 3.36Å; V742-F746 PolarHBondContact O-N 3.1Å; V742-Y767 HydrophobicContact CG1-CD1 4.11Å; V742-I770 HydrophobicContact CG1-CG2 4.13Å; V742-K774 HydrophobicContact CG2-CG 4.4Å; V742-I847 HydrophobicContact CG2-CD1 4.26Å; V742-L850 HydrophobicContact CG2-CD2 4.45Å |
| 743 | C | 92.7 | Very high | 92 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 4% | 0.041 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.6 | -45 | 177.1 | -165.6 | 0 | 0 | 0 | 0 | 112.1 | D739 A740 G745 F746 D747 G883 P885 | D739-C743 PolarHBondContact O-N 2.65Å; A740-C743 PolarHBondContact O-N 3.48Å; C743-G745 VanDerWaalsContact C-N 3.34Å; C743-G745 PolarHBondContact O-N 3.11Å; C743-F746 WeakPolarHBondContact O-CB 3.41Å; C743-F746 PolarHBondContact O-N 3.29Å; C743-F746 VanDerWaalsContact O-N 3.08Å; C743-D747 PolarHBondContact O-N 2.92Å; C743-G883 PolarHBondContact SG-O 3.24Å; C743-P885 HydrophobicContact CB-CB 4.21Å |
| 744 | L | 92.3 | Very high | 91.2 | Very high | 15 Ų | 15 | 36.2 Ų | 36.2 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.9 | -41.7 | 175.8 | -176.3 | 66.4 | 0 | 0 | 0 | 112.2 | A740 V742 F746 D747 K748 P885 M887 | A740-L744 VanDerWaalsContact O-CB 3.25Å; A740-L744 WeakPolarHBondContact O-CB 3.3Å; A740-L744 PolarHBondContact O-N 3.11Å; V742-L744 PolarHBondContact O-N 2.86Å; L744-F746 VanDerWaalsContact C-N 3.29Å; L744-F746 PolarHBondContact O-N 3.31Å; L744-D747 PolarHBondContact O-N 3.3Å; L744-K748 HydrophobicContact CG-CD 4.43Å; L744-K748 WeakPolarHBondContact O-CB 3.41Å; L744-K748 WeakPolarHBondContact O-CG 3.47Å; L744-K748 PolarHBondContact O-N 3.03Å; L744-P885 HydrophobicContact CB-CB 3.94Å; L744-P885 HydrophobicContact CB-CG 4.41Å; L744-P885 HydrophobicContact CD1-CB 4.1Å; L744-P885 HydrophobicContact CD1-CG 4.23Å; L744-M887 HydrophobicContact CD2-CG 3.53Å; L744-M887 HydrophobicContact CD2-SD 3.73Å |
| 745 | G | 91.8 | Very high | 90.4 | Very high | 21 Ų | 21 | 42.7 Ų | 42.7 | 22% | 0.216 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.3 | -40.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D741 V742 C743 A749 | D741-G745 PolarHBondContact O-N 2.92Å; V742-G745 PolarHBondContact O-N 3.36Å; C743-G745 VanDerWaalsContact C-N 3.34Å; C743-G745 PolarHBondContact O-N 3.11Å; G745-A749 PolarHBondContact O-N 3.49Å; G745-A749 VanDerWaalsContact O-N 3.16Å |
| 746 | F | 90.5 | Very high | 89.7 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.3 | -46.6 | 178.4 | 174.9 | -90 | 0 | 0 | 0 | 111.2 | V742 C743 L744 K748 A749 R750 F757 N763 V766 Y767 I770 | V742-F746 PolarHBondContact O-N 3.1Å; C743-F746 WeakPolarHBondContact O-CB 3.41Å; C743-F746 PolarHBondContact O-N 3.29Å; C743-F746 VanDerWaalsContact O-N 3.08Å; L744-F746 VanDerWaalsContact C-N 3.29Å; L744-F746 PolarHBondContact O-N 3.31Å; F746-K748 PolarHBondContact O-N 3Å; F746-A749 WeakPolarHBondContact O-CB 3.25Å; F746-A749 PolarHBondContact O-N 3.33Å; F746-A749 VanDerWaalsContact O-N 3.12Å; F746-R750 PolarHBondContact O-N 3.25Å; F746-F757 AromaticContact CD2-CE1 4Å; F746-F757 HydrophobicContact CD2-CE1 4Å; F746-F757 HydrophobicContact CE1-CD1 4.46Å; F746-F757 AromaticContact CE2-CD1 3.73Å; F746-F757 HydrophobicContact CE2-CD1 3.73Å; F746-F757 AromaticContact CE2-CE1 3.46Å; F746-F757 HydrophobicContact CE2-CE1 3.46Å; F746-F757 VanDerWaalsContact CE2-CE1 3.46Å; F746-F757 AromaticContact CZ-CD1 3.61Å; F746-F757 HydrophobicContact CZ-CD1 3.61Å; F746-F757 AromaticContact CZ-CE1 3.77Å; F746-F757 HydrophobicContact CZ-CE1 3.77Å; F746-N763 HydrophobicContact CE2-CB 4.09Å; F746-N763 WeakPolarHBondContact CE2-O 3.41Å; F746-N763 HydrophobicContact CZ-CB 4.06Å; F746-V766 HydrophobicContact CD2-CB 4.18Å; F746-V766 HydrophobicContact CD2-CG1 3.86Å; F746-V766 HydrophobicContact CE2-CB 4.21Å; F746-V766 HydrophobicContact CE2-CG1 4.28Å; F746-Y767 HydrophobicContact CB-CD1 4.04Å; F746-Y767 HydrophobicContact CB-CD2 4.47Å; F746-Y767 HydrophobicContact CB-CE1 3.67Å; F746-Y767 HydrophobicContact CB-CE2 4.14Å; F746-Y767 HydrophobicContact CB-CG 4.42Å; F746-Y767 HydrophobicContact CD1-CD2 4.33Å; F746-Y767 HydrophobicContact CD1-CE1 4.23Å; F746-Y767 AromaticContact CD1-CE2 3.45Å; F746-Y767 HydrophobicContact CD1-CE2 3.45Å; F746-Y767 VanDerWaalsContact CD1-CE2 3.45Å; F746-Y767 AromaticContact CD1-CZ 3.37Å; F746-Y767 WeakPolarHBondContact CD1-OH 3.32Å; F746-Y767 HydrophobicContact CD2-CD1 4.27Å; F746-Y767 AromaticContact CD2-CD2 3.27Å; F746-Y767 HydrophobicContact CD2-CD2 3.27Å; F746-Y767 HydrophobicContact CD2-CE1 4.26Å; F746-Y767 AromaticContact CD2-CE2 3.25Å; F746-Y767 HydrophobicContact CD2-CE2 3.25Å; F746-Y767 AromaticContact CD2-CG 3.8Å; F746-Y767 HydrophobicContact CD2-CG 3.8Å; F746-Y767 AromaticContact CD2-CZ 3.77Å; F746-Y767 HydrophobicContact CE1-CD2 4.43Å; F746-Y767 AromaticContact CE1-CE2 3.51Å; F746-Y767 HydrophobicContact CE1-CE2 3.51Å; F746-Y767 AromaticContact CE1-CZ 3.86Å; F746-Y767 AromaticContact CE2-CD2 3.4Å; F746-Y767 HydrophobicContact CE2-CD2 3.4Å; F746-Y767 AromaticContact CE2-CE2 3.32Å; F746-Y767 HydrophobicContact CE2-CE2 3.32Å; F746-Y767 HydrophobicContact CE2-CG 4.34Å; F746-Y767 HydrophobicContact CG-CD1 4.21Å; F746-Y767 AromaticContact CG-CD2 3.78Å; F746-Y767 HydrophobicContact CG-CD2 3.78Å; F746-Y767 AromaticContact CG-CE1 3.8Å; F746-Y767 HydrophobicContact CG-CE1 3.8Å; F746-Y767 AromaticContact CG-CE2 3.32Å; F746-Y767 HydrophobicContact CG-CE2 3.32Å; F746-Y767 HydrophobicContact CG-CG 4.2Å; F746-Y767 AromaticContact CG-CZ 3.32Å; F746-Y767 HydrophobicContact CZ-CD2 4.01Å; F746-Y767 AromaticContact CZ-CE2 3.45Å; F746-Y767 HydrophobicContact CZ-CE2 3.45Å; F746-Y767 VanDerWaalsContact CZ-CE2 3.45Å; F746-I770 VanDerWaalsContact CA-CD1 3.45Å; F746-I770 HydrophobicContact CB-CD1 3.99Å |
| 747 | D | 89.8 | Confident | 89 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.032 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 179.1 | -178.8 | 63.7 | 0 | 0 | 0 | 112.2 | C743 L744 A749 R750 K751 P885 | C743-D747 PolarHBondContact O-N 2.92Å; L744-D747 PolarHBondContact O-N 3.3Å; D747-A749 VanDerWaalsContact C-N 3.3Å; D747-A749 PolarHBondContact O-N 2.9Å; D747-R750 WeakPolarHBondContact O-CB 3.44Å; D747-R750 PolarHBondContact O-N 2.91Å; D747-R750 VanDerWaalsContact O-N 3.15Å; D747-R750 IonicContact OD1-CZ 3.97Å; D747-R750 IonicContact OD1-NE 2.98Å; D747-R750 IonicContact OD1-NH2 2.68Å; D747-R750 PolarHBondContact OD1-NH2 2.69Å; D747-K751 WeakPolarHBondContact O-CG 3.37Å; D747-K751 PolarHBondContact O-N 3.38Å; D747-K751 IonicContact OD1-NZ 3.99Å; D747-K751 WeakPolarHBondContact OD2-CD 3.3Å; D747-K751 WeakPolarHBondContact OD2-CE 3.44Å; D747-K751 IonicContact OD2-NZ 3.59Å; D747-K751 PolarHBondContact OD2-NZ 2.83Å; D747-P885 HydrophobicContact CB-CG 3.44Å; D747-P885 VanDerWaalsContact CB-CG 3.44Å |
| 748 | K | 91.8 | Very high | 88.1 | Confident | 118 Ų | 118 | 54 Ų | 54 | 51% | 0.513 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57 | -43.4 | 172.4 | -74.2 | 176.1 | -179.7 | 178.8 | 0 | 111.7 | L744 F746 L752 | L744-K748 HydrophobicContact CG-CD 4.43Å; L744-K748 WeakPolarHBondContact O-CB 3.41Å; L744-K748 WeakPolarHBondContact O-CG 3.47Å; L744-K748 PolarHBondContact O-N 3.03Å; F746-K748 PolarHBondContact O-N 3Å; K748-L752 WeakPolarHBondContact O-CD1 3.29Å; K748-L752 VanDerWaalsContact O-CG 3.24Å; K748-L752 WeakPolarHBondContact O-CG 3.48Å; K748-L752 PolarHBondContact O-N 3.14Å |
| 749 | A | 89.7 | Confident | 87.5 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G745 F746 D747 N753 F757 V766 | G745-A749 PolarHBondContact O-N 3.49Å; G745-A749 VanDerWaalsContact O-N 3.16Å; F746-A749 WeakPolarHBondContact O-CB 3.25Å; F746-A749 PolarHBondContact O-N 3.33Å; F746-A749 VanDerWaalsContact O-N 3.12Å; D747-A749 VanDerWaalsContact C-N 3.3Å; D747-A749 PolarHBondContact O-N 2.9Å; A749-N753 PolarHBondContact O-N 3.28Å; A749-F757 VanDerWaalsContact C-CZ 3.5Å; A749-F757 HydrophobicContact CB-CZ 3.77Å; A749-F757 VanDerWaalsContact O-CE2 3.26Å; A749-F757 WeakPolarHBondContact O-CE2 3.45Å; A749-V766 HydrophobicContact CB-CG1 4.48Å |
| 750 | R | 86.3 | Confident | 87 | Confident | 87 Ų | 87 | 58.2 Ų | 58.2 | 33% | 0.328 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.7 | -47.9 | 176.7 | -177.5 | 178.3 | 65 | 168 | -1.3 | 111.8 | F746 D747 L752 N753 P754 F757 E884 | F746-R750 PolarHBondContact O-N 3.25Å; D747-R750 WeakPolarHBondContact O-CB 3.44Å; D747-R750 PolarHBondContact O-N 2.91Å; D747-R750 VanDerWaalsContact O-N 3.15Å; D747-R750 IonicContact OD1-CZ 3.97Å; D747-R750 IonicContact OD1-NE 2.98Å; D747-R750 IonicContact OD1-NH2 2.68Å; D747-R750 PolarHBondContact OD1-NH2 2.69Å; R750-L752 VanDerWaalsContact C-N 3.3Å; R750-L752 PolarHBondContact O-N 2.83Å; R750-N753 CarbonylContact O-C 3.59Å; R750-N753 PolarHBondContact O-N 2.74Å; R750-P754 VanDerWaalsContact O-CA 3.27Å; R750-P754 WeakPolarHBondContact O-CA 3.49Å; R750-P754 WeakPolarHBondContact O-CD 3.3Å; R750-F757 VanDerWaalsContact CA-CE2 3.49Å; R750-F757 HydrophobicContact CB-CD1 4.04Å; R750-F757 HydrophobicContact CB-CD2 4.27Å; R750-F757 HydrophobicContact CB-CE1 4.08Å; R750-F757 HydrophobicContact CB-CE2 4.34Å; R750-F757 HydrophobicContact CB-CG 4.13Å; R750-F757 HydrophobicContact CB-CZ 4.24Å; R750-F757 HydrophobicContact CG-CB 4.21Å; R750-F757 HydrophobicContact CG-CD1 4.23Å; R750-F757 HydrophobicContact CG-CD2 4.38Å; R750-F757 HydrophobicContact CG-CG 4.02Å; R750-E884 IonicContact NH2-OE1 2.81Å; R750-E884 IonicContact NH2-OE2 3.24Å |
| 751 | K | 86 | Confident | 86.5 | Confident | 148 Ų | 148 | 65.2 Ų | 65.2 | 64% | 0.643 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.9 | -34.4 | 178.4 | -74.4 | 174.5 | 175.8 | 160.9 | 0 | 112.8 | D747 | D747-K751 WeakPolarHBondContact O-CG 3.37Å; D747-K751 PolarHBondContact O-N 3.38Å; D747-K751 IonicContact OD1-NZ 3.99Å; D747-K751 WeakPolarHBondContact OD2-CD 3.3Å; D747-K751 WeakPolarHBondContact OD2-CE 3.44Å; D747-K751 IonicContact OD2-NZ 3.59Å; D747-K751 PolarHBondContact OD2-NZ 2.83Å |
| 752 | L | 89.3 | Confident | 86.2 | Confident | 137 Ų | 137 | 68.2 Ų | 68.2 | 72% | 0.717 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -72.6 | -29.3 | 177.4 | -73.5 | 169.3 | 0 | 0 | 0 | 113.8 | K748 R750 | K748-L752 WeakPolarHBondContact O-CD1 3.29Å; K748-L752 VanDerWaalsContact O-CG 3.24Å; K748-L752 WeakPolarHBondContact O-CG 3.48Å; K748-L752 PolarHBondContact O-N 3.14Å; R750-L752 VanDerWaalsContact C-N 3.3Å; R750-L752 PolarHBondContact O-N 2.83Å |
| 753 | N | 84.5 | Confident | 86 | Confident | 67 Ų | 67 | 68.2 Ų | 68.2 | 36% | 0.358 | 35% | 0.345 | S | S | . | . | trans | -145.5 | 62.5 | -175.1 | -68.1 | -102.9 | 0 | 0 | 0 | 111.7 | A749 R750 D755 K756 F757 | A749-N753 PolarHBondContact O-N 3.28Å; R750-N753 CarbonylContact O-C 3.59Å; R750-N753 PolarHBondContact O-N 2.74Å; N753-D755 VanDerWaalsContact C-N 3.25Å; N753-D755 PolarHBondContact O-N 2.9Å; N753-D755 VanDerWaalsContact O-N 3.15Å; N753-K756 HydrophobicContact CB-CB 4.31Å; N753-K756 HydrophobicContact CB-CD 3.91Å; N753-K756 HydrophobicContact CB-CG 4.19Å; N753-K756 PolarHBondContact O-N 2.84Å; N753-K756 PolarHBondContact OD1-NZ 2.93Å; N753-F757 VanDerWaalsContact O-CD2 3.23Å; N753-F757 WeakPolarHBondContact O-CD2 3.21Å | ||
| 754 | P | 80.3 | Confident | 85.6 | Confident | 73 Ų | 73 | 72.4 Ų | 72.4 | 47% | 0.474 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -56 | -38.1 | -171.4 | 21.2 | -33 | 0 | 0 | 0 | 113.2 | R750 K756 F757 | R750-P754 VanDerWaalsContact O-CA 3.27Å; R750-P754 WeakPolarHBondContact O-CA 3.49Å; R750-P754 WeakPolarHBondContact O-CD 3.3Å; P754-K756 PolarHBondContact O-N 2.96Å; P754-K756 VanDerWaalsContact O-N 3.12Å; P754-F757 PolarHBondContact O-N 3.42Å |
| 755 | D | 80.7 | Confident | 85.5 | Confident | 135 Ų | 135 | 73.6 Ų | 73.6 | 72% | 0.722 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -62.9 | -21.9 | -178.9 | -57.3 | -44 | 0 | 0 | 0 | 114 | N753 F757 N758 | N753-D755 VanDerWaalsContact C-N 3.25Å; N753-D755 PolarHBondContact O-N 2.9Å; N753-D755 VanDerWaalsContact O-N 3.15Å; D755-F757 VanDerWaalsContact C-N 3.31Å; D755-N758 PolarHBondContact O-ND2 2.92Å |
| 756 | K | 83.8 | Confident | 85.4 | Confident | 130 Ų | 130 | 73 Ų | 73 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -79.6 | -14.1 | 175.7 | -65.5 | -178.6 | -177.1 | 154.4 | 0 | 112.5 | N753 P754 N758 H762 | N753-K756 HydrophobicContact CB-CB 4.31Å; N753-K756 HydrophobicContact CB-CD 3.91Å; N753-K756 HydrophobicContact CB-CG 4.19Å; N753-K756 PolarHBondContact O-N 2.84Å; N753-K756 PolarHBondContact OD1-NZ 2.93Å; P754-K756 PolarHBondContact O-N 2.96Å; P754-K756 VanDerWaalsContact O-N 3.12Å; K756-N758 PolarHBondContact O-N 3.37Å; K756-H762 PolarHBondContact O-CE1 3.36Å; K756-H762 PolarHBondContact O-ND1 2.93Å |
| 757 | F | 81.2 | Confident | 85.1 | Confident | 21 Ų | 21 | 75.8 Ų | 75.8 | 9% | 0.092 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -97.7 | 23.3 | -173.8 | -71.6 | -103.9 | 0 | 0 | 0 | 113.8 | F746 A749 R750 N753 P754 D755 S759 N763 V766 | F746-F757 AromaticContact CD2-CE1 4Å; F746-F757 HydrophobicContact CD2-CE1 4Å; F746-F757 HydrophobicContact CE1-CD1 4.46Å; F746-F757 AromaticContact CE2-CD1 3.73Å; F746-F757 HydrophobicContact CE2-CD1 3.73Å; F746-F757 AromaticContact CE2-CE1 3.46Å; F746-F757 HydrophobicContact CE2-CE1 3.46Å; F746-F757 VanDerWaalsContact CE2-CE1 3.46Å; F746-F757 AromaticContact CZ-CD1 3.61Å; F746-F757 HydrophobicContact CZ-CD1 3.61Å; F746-F757 AromaticContact CZ-CE1 3.77Å; F746-F757 HydrophobicContact CZ-CE1 3.77Å; A749-F757 VanDerWaalsContact C-CZ 3.5Å; A749-F757 HydrophobicContact CB-CZ 3.77Å; A749-F757 VanDerWaalsContact O-CE2 3.26Å; A749-F757 WeakPolarHBondContact O-CE2 3.45Å; R750-F757 VanDerWaalsContact CA-CE2 3.49Å; R750-F757 HydrophobicContact CB-CD1 4.04Å; R750-F757 HydrophobicContact CB-CD2 4.27Å; R750-F757 HydrophobicContact CB-CE1 4.08Å; R750-F757 HydrophobicContact CB-CE2 4.34Å; R750-F757 HydrophobicContact CB-CG 4.13Å; R750-F757 HydrophobicContact CB-CZ 4.24Å; R750-F757 HydrophobicContact CG-CB 4.21Å; R750-F757 HydrophobicContact CG-CD1 4.23Å; R750-F757 HydrophobicContact CG-CD2 4.38Å; R750-F757 HydrophobicContact CG-CG 4.02Å; N753-F757 VanDerWaalsContact O-CD2 3.23Å; N753-F757 WeakPolarHBondContact O-CD2 3.21Å; P754-F757 PolarHBondContact O-N 3.42Å; D755-F757 VanDerWaalsContact C-N 3.31Å; F757-S759 VanDerWaalsContact C-N 3.34Å; F757-N763 WeakPolarHBondContact CA-OD1 3.29Å; F757-N763 WeakPolarHBondContact CB-OD1 2.9Å; F757-N763 VanDerWaalsContact CD1-OD1 3.27Å; F757-N763 WeakPolarHBondContact CD1-OD1 3.38Å; F757-N763 PolarHBondContact O-ND2 2.64Å; F757-N763 PolarHBondContact O-OD1 3.11Å; F757-V766 HydrophobicContact CE1-CB 4.23Å; F757-V766 HydrophobicContact CE1-CG1 3.95Å; F757-V766 HydrophobicContact CE1-CG2 4.2Å; F757-V766 HydrophobicContact CZ-CG1 4.09Å; F757-V766 HydrophobicContact CZ-CG2 4.35Å |
| 758 | N | 75.5 | Confident | 85.1 | Confident | 86 Ų | 86 | 78 Ų | 78 | 46% | 0.46 | 40% | 0.401 | S | S | . | . | trans | -82.3 | -7.3 | -179.3 | -67.3 | -25 | 0 | 0 | 0 | 113.9 | G575 D755 K756 | G575-N758 WeakPolarHBondContact CA-O 3.37Å; G575-N758 PolarHBondContact N-O 3.43Å; D755-N758 PolarHBondContact O-ND2 2.92Å; K756-N758 PolarHBondContact O-N 3.37Å | ||
| 759 | S | 80 | Confident | 85 | Confident | 56 Ų | 56 | 79.1 Ų | 79.1 | 39% | 0.392 | 40% | 0.402 | S | S | . | . | trans | -113.1 | 126.5 | 178.8 | 167.7 | 0 | 0 | 0 | 0 | 111.7 | F757 I761 H762 N763 | F757-S759 VanDerWaalsContact C-N 3.34Å; S759-I761 VanDerWaalsContact C-N 3.33Å; S759-I761 PolarHBondContact O-N 3.5Å; S759-I761 PolarHBondContact OG-N 2.81Å; S759-H762 PolarHBondContact O-N 2.72Å; S759-H762 PolarHBondContact OG-N 3.08Å; S759-N763 WeakPolarHBondContact O-CB 3.41Å; S759-N763 PolarHBondContact O-N 3.39Å; S759-N763 PolarHBondContact O-ND2 3.02Å; S759-N763 PolarHBondContact O-OD1 2.78Å | ||
| 760 | R | 81.3 | Confident | 85 | Confident | 60 Ų | 60 | 78.7 Ų | 78.7 | 23% | 0.226 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.2 | -39 | 177.3 | -66.3 | -173.6 | -60.3 | -159.3 | -4.5 | 112.7 | P651 G653 Y668 N763 K764 | P651-R760 PolarHBondContact O-NH1 3.27Å; G653-R760 WeakPolarHBondContact O-CD 3.46Å; Y668-R760 PolarHBondContact O-NH1 3.16Å; Y668-R760 PolarHBondContact O-NH2 2.95Å; R760-N763 PolarHBondContact O-N 3.5Å; R760-K764 WeakPolarHBondContact O-CG 3.5Å; R760-K764 PolarHBondContact O-N 2.92Å |
| 761 | I | 84.9 | Confident | 85 | Confident | 146 Ų | 146 | 75 Ų | 75 | 75% | 0.749 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.1 | -44.6 | 178.8 | -64.2 | 172.3 | 0 | 0 | 0 | 109.7 | S759 K764 G765 | S759-I761 VanDerWaalsContact C-N 3.33Å; S759-I761 PolarHBondContact O-N 3.5Å; S759-I761 PolarHBondContact OG-N 2.81Å; I761-K764 PolarHBondContact O-N 3.32Å; I761-G765 PolarHBondContact O-N 3.26Å |
| 762 | H | 87 | Confident | 85.1 | Confident | 80 Ų | 80 | 73 Ų | 73 | 37% | 0.37 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 175.2 | 174.4 | -101.3 | 0 | 0 | 0 | 111.2 | K756 S759 K764 G765 V766 | K756-H762 PolarHBondContact O-CE1 3.36Å; K756-H762 PolarHBondContact O-ND1 2.93Å; S759-H762 PolarHBondContact O-N 2.72Å; S759-H762 PolarHBondContact OG-N 3.08Å; H762-K764 VanDerWaalsContact C-N 3.33Å; H762-K764 PolarHBondContact O-N 3.23Å; H762-G765 CarbonylContact O-C 3.6Å; H762-G765 WeakPolarHBondContact O-CA 3.15Å; H762-G765 PolarHBondContact O-N 3.09Å; H762-V766 WeakPolarHBondContact O-CG2 3.25Å; H762-V766 PolarHBondContact O-N 3.14Å |
| 763 | N | 86.6 | Confident | 85 | Confident | 9 Ų | 9 | 73.4 Ų | 73.4 | 5% | 0.048 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.5 | -45.1 | 179.6 | -65.1 | -7.4 | 0 | 0 | 0 | 111.6 | T654 F746 F757 S759 R760 G765 V766 Y767 | T654-N763 HydrophobicContact CG2-CB 3.76Å; T654-N763 PolarHBondContact OG1-ND2 2.99Å; F746-N763 HydrophobicContact CE2-CB 4.09Å; F746-N763 WeakPolarHBondContact CE2-O 3.41Å; F746-N763 HydrophobicContact CZ-CB 4.06Å; F757-N763 WeakPolarHBondContact CA-OD1 3.29Å; F757-N763 WeakPolarHBondContact CB-OD1 2.9Å; F757-N763 VanDerWaalsContact CD1-OD1 3.27Å; F757-N763 WeakPolarHBondContact CD1-OD1 3.38Å; F757-N763 PolarHBondContact O-ND2 2.64Å; F757-N763 PolarHBondContact O-OD1 3.11Å; S759-N763 WeakPolarHBondContact O-CB 3.41Å; S759-N763 PolarHBondContact O-N 3.39Å; S759-N763 PolarHBondContact O-ND2 3.02Å; S759-N763 PolarHBondContact O-OD1 2.78Å; R760-N763 PolarHBondContact O-N 3.5Å; N763-G765 VanDerWaalsContact C-N 3.34Å; N763-G765 PolarHBondContact O-N 3.42Å; N763-V766 PolarHBondContact O-N 2.85Å; N763-Y767 WeakPolarHBondContact O-CD2 3.37Å; N763-Y767 PolarHBondContact O-N 2.93Å; N763-Y767 VanDerWaalsContact O-N 3.12Å |
| 764 | K | 84.9 | Confident | 84.9 | Confident | 94 Ų | 94 | 73 Ų | 73 | 41% | 0.409 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 174.1 | -72.2 | -177.7 | -179.2 | -163.6 | 0 | 112.4 | T654 R760 I761 H762 V766 Y767 A768 S815 | T654-K764 HydrophobicContact CG2-CG 4.32Å; R760-K764 WeakPolarHBondContact O-CG 3.5Å; R760-K764 PolarHBondContact O-N 2.92Å; I761-K764 PolarHBondContact O-N 3.32Å; H762-K764 VanDerWaalsContact C-N 3.33Å; H762-K764 PolarHBondContact O-N 3.23Å; K764-V766 VanDerWaalsContact C-N 3.34Å; K764-V766 PolarHBondContact O-N 3.47Å; K764-Y767 PolarHBondContact O-N 3.02Å; K764-A768 PolarHBondContact O-N 3.35Å; K764-A768 VanDerWaalsContact O-N 3.13Å; K764-S815 VanDerWaalsContact CE-OG 3.3Å; K764-S815 WeakPolarHBondContact CE-OG 3.43Å; K764-S815 PolarHBondContact NZ-OG 2.98Å |
| 765 | G | 89.9 | Confident | 84.8 | Confident | 41 Ų | 41 | 73.2 Ų | 73.2 | 42% | 0.423 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.5 | -37.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I761 H762 N763 A768 R769 | I761-G765 PolarHBondContact O-N 3.26Å; H762-G765 CarbonylContact O-C 3.6Å; H762-G765 WeakPolarHBondContact O-CA 3.15Å; H762-G765 PolarHBondContact O-N 3.09Å; N763-G765 VanDerWaalsContact C-N 3.34Å; N763-G765 PolarHBondContact O-N 3.42Å; G765-A768 PolarHBondContact O-N 3.32Å; G765-R769 WeakPolarHBondContact O-CB 3.06Å; G765-R769 PolarHBondContact O-N 2.94Å |
| 766 | V | 88.6 | Confident | 84.7 | Confident | 8 Ų | 8 | 72.9 Ų | 72.9 | 5% | 0.048 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 175.4 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | F746 A749 F757 H762 N763 K764 A768 R769 I770 | F746-V766 HydrophobicContact CD2-CB 4.18Å; F746-V766 HydrophobicContact CD2-CG1 3.86Å; F746-V766 HydrophobicContact CE2-CB 4.21Å; F746-V766 HydrophobicContact CE2-CG1 4.28Å; A749-V766 HydrophobicContact CB-CG1 4.48Å; F757-V766 HydrophobicContact CE1-CB 4.23Å; F757-V766 HydrophobicContact CE1-CG1 3.95Å; F757-V766 HydrophobicContact CE1-CG2 4.2Å; F757-V766 HydrophobicContact CZ-CG1 4.09Å; F757-V766 HydrophobicContact CZ-CG2 4.35Å; H762-V766 WeakPolarHBondContact O-CG2 3.25Å; H762-V766 PolarHBondContact O-N 3.14Å; N763-V766 PolarHBondContact O-N 2.85Å; K764-V766 VanDerWaalsContact C-N 3.34Å; K764-V766 PolarHBondContact O-N 3.47Å; V766-A768 PolarHBondContact O-N 2.86Å; V766-R769 PolarHBondContact O-N 3.48Å; V766-I770 HydrophobicContact CG1-CD1 3.65Å; V766-I770 HydrophobicContact CG1-CG1 4.33Å; V766-I770 VanDerWaalsContact O-CG1 3.27Å; V766-I770 WeakPolarHBondContact O-CG1 3.49Å; V766-I770 PolarHBondContact O-N 3.31Å |
| 767 | Y | 86.2 | Confident | 84.2 | Confident | 67 Ų | 67 | 72 Ų | 72 | 26% | 0.263 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -55.2 | -49.7 | 173.8 | -91.2 | -79.1 | 0 | 0 | 0 | 111.7 | V742 F746 N763 K764 R769 I770 G771 | V742-Y767 HydrophobicContact CG1-CD1 4.11Å; F746-Y767 HydrophobicContact CB-CD1 4.04Å; F746-Y767 HydrophobicContact CB-CD2 4.47Å; F746-Y767 HydrophobicContact CB-CE1 3.67Å; F746-Y767 HydrophobicContact CB-CE2 4.14Å; F746-Y767 HydrophobicContact CB-CG 4.42Å; F746-Y767 HydrophobicContact CD1-CD2 4.33Å; F746-Y767 HydrophobicContact CD1-CE1 4.23Å; F746-Y767 AromaticContact CD1-CE2 3.45Å; F746-Y767 HydrophobicContact CD1-CE2 3.45Å; F746-Y767 VanDerWaalsContact CD1-CE2 3.45Å; F746-Y767 AromaticContact CD1-CZ 3.37Å; F746-Y767 WeakPolarHBondContact CD1-OH 3.32Å; F746-Y767 HydrophobicContact CD2-CD1 4.27Å; F746-Y767 AromaticContact CD2-CD2 3.27Å; F746-Y767 HydrophobicContact CD2-CD2 3.27Å; F746-Y767 HydrophobicContact CD2-CE1 4.26Å; F746-Y767 AromaticContact CD2-CE2 3.25Å; F746-Y767 HydrophobicContact CD2-CE2 3.25Å; F746-Y767 AromaticContact CD2-CG 3.8Å; F746-Y767 HydrophobicContact CD2-CG 3.8Å; F746-Y767 AromaticContact CD2-CZ 3.77Å; F746-Y767 HydrophobicContact CE1-CD2 4.43Å; F746-Y767 AromaticContact CE1-CE2 3.51Å; F746-Y767 HydrophobicContact CE1-CE2 3.51Å; F746-Y767 AromaticContact CE1-CZ 3.86Å; F746-Y767 AromaticContact CE2-CD2 3.4Å; F746-Y767 HydrophobicContact CE2-CD2 3.4Å; F746-Y767 AromaticContact CE2-CE2 3.32Å; F746-Y767 HydrophobicContact CE2-CE2 3.32Å; F746-Y767 HydrophobicContact CE2-CG 4.34Å; F746-Y767 HydrophobicContact CG-CD1 4.21Å; F746-Y767 AromaticContact CG-CD2 3.78Å; F746-Y767 HydrophobicContact CG-CD2 3.78Å; F746-Y767 AromaticContact CG-CE1 3.8Å; F746-Y767 HydrophobicContact CG-CE1 3.8Å; F746-Y767 AromaticContact CG-CE2 3.32Å; F746-Y767 HydrophobicContact CG-CE2 3.32Å; F746-Y767 HydrophobicContact CG-CG 4.2Å; F746-Y767 AromaticContact CG-CZ 3.32Å; F746-Y767 HydrophobicContact CZ-CD2 4.01Å; F746-Y767 AromaticContact CZ-CE2 3.45Å; F746-Y767 HydrophobicContact CZ-CE2 3.45Å; F746-Y767 VanDerWaalsContact CZ-CE2 3.45Å; N763-Y767 WeakPolarHBondContact O-CD2 3.37Å; N763-Y767 PolarHBondContact O-N 2.93Å; N763-Y767 VanDerWaalsContact O-N 3.12Å; K764-Y767 PolarHBondContact O-N 3.02Å; Y767-R769 PolarHBondContact O-N 2.99Å; Y767-I770 PolarHBondContact O-N 3.15Å; Y767-G771 PolarHBondContact O-N 3.17Å |
| 768 | A | 88 | Confident | 83.3 | Confident | 54 Ų | 54 | 76.1 Ų | 76.1 | 45% | 0.446 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60 | -44.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K764 G765 V766 I770 G771 L772 | K764-A768 PolarHBondContact O-N 3.35Å; K764-A768 VanDerWaalsContact O-N 3.13Å; G765-A768 PolarHBondContact O-N 3.32Å; V766-A768 PolarHBondContact O-N 2.86Å; A768-I770 VanDerWaalsContact C-N 3.33Å; A768-I770 PolarHBondContact O-N 3.36Å; A768-G771 PolarHBondContact O-N 3.01Å; A768-L772 WeakPolarHBondContact O-CG 2.97Å; A768-L772 PolarHBondContact O-N 3.5Å |
| 769 | R | 90.7 | Very high | 83 | Confident | 140 Ų | 140 | 80.6 Ų | 80.6 | 53% | 0.528 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 177.8 | -175.4 | -178.9 | 61.9 | 76.3 | 1.7 | 112.3 | G765 V766 Y767 K773 | G765-R769 WeakPolarHBondContact O-CB 3.06Å; G765-R769 PolarHBondContact O-N 2.94Å; V766-R769 PolarHBondContact O-N 3.48Å; Y767-R769 PolarHBondContact O-N 2.99Å; R769-K773 PolarHBondContact O-N 2.88Å |
| 770 | I | 88.5 | Confident | 82.8 | Confident | 13 Ų | 13 | 81.7 Ų | 81.7 | 7% | 0.067 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67.8 | -45.3 | 177.8 | -68 | 168.1 | 0 | 0 | 0 | 110.1 | V742 F746 V766 Y767 A768 L772 K773 K774 | V742-I770 HydrophobicContact CG1-CG2 4.13Å; F746-I770 VanDerWaalsContact CA-CD1 3.45Å; F746-I770 HydrophobicContact CB-CD1 3.99Å; V766-I770 HydrophobicContact CG1-CD1 3.65Å; V766-I770 HydrophobicContact CG1-CG1 4.33Å; V766-I770 VanDerWaalsContact O-CG1 3.27Å; V766-I770 WeakPolarHBondContact O-CG1 3.49Å; V766-I770 PolarHBondContact O-N 3.31Å; Y767-I770 PolarHBondContact O-N 3.15Å; A768-I770 VanDerWaalsContact C-N 3.33Å; A768-I770 PolarHBondContact O-N 3.36Å; I770-L772 VanDerWaalsContact C-N 3.34Å; I770-L772 PolarHBondContact O-N 3.26Å; I770-K773 WeakPolarHBondContact O-CB 3.05Å; I770-K773 PolarHBondContact O-N 3.05Å; I770-K773 VanDerWaalsContact O-N 3.13Å; I770-K774 WeakPolarHBondContact O-CG 2.91Å; I770-K774 PolarHBondContact O-N 3.37Å |
| 771 | G | 87.1 | Confident | 82.9 | Confident | 9 Ų | 9 | 79.2 Ų | 79.2 | 9% | 0.093 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -53.9 | -49.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y767 A768 K773 K774 M775 I847 | Y767-G771 PolarHBondContact O-N 3.17Å; A768-G771 PolarHBondContact O-N 3.01Å; G771-K773 VanDerWaalsContact C-N 3.33Å; G771-K773 PolarHBondContact O-N 3.23Å; G771-K774 WeakPolarHBondContact O-CB 3.07Å; G771-K774 PolarHBondContact O-N 3.04Å; G771-K774 VanDerWaalsContact O-N 3.1Å; G771-M775 PolarHBondContact O-N 3.42Å; G771-M775 VanDerWaalsContact O-N 3.16Å; G771-I847 WeakPolarHBondContact O-CG1 3.35Å |
| 772 | L | 87.9 | Confident | 82.8 | Confident | 107 Ų | 107 | 76.6 Ų | 76.6 | 56% | 0.56 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.5 | -38.8 | 176.4 | -70.7 | 172.6 | 0 | 0 | 0 | 113 | A768 I770 K774 M775 | A768-L772 WeakPolarHBondContact O-CG 2.97Å; A768-L772 PolarHBondContact O-N 3.5Å; I770-L772 VanDerWaalsContact C-N 3.34Å; I770-L772 PolarHBondContact O-N 3.26Å; L772-K774 VanDerWaalsContact C-N 3.29Å; L772-K774 PolarHBondContact O-N 3.5Å; L772-M775 HydrophobicContact CD2-CE 4.24Å; L772-M775 VanDerWaalsContact O-CB 3.27Å; L772-M775 WeakPolarHBondContact O-CB 3.36Å; L772-M775 PolarHBondContact O-N 2.93Å |
| 773 | K | 87.6 | Confident | 82.7 | Confident | 146 Ų | 146 | 76.7 Ų | 76.7 | 64% | 0.635 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63 | -36.7 | 176 | -172.6 | 178.5 | 179.2 | -179.5 | 0 | 111.8 | R769 I770 G771 M775 V776 N777 | R769-K773 PolarHBondContact O-N 2.88Å; I770-K773 WeakPolarHBondContact O-CB 3.05Å; I770-K773 PolarHBondContact O-N 3.05Å; I770-K773 VanDerWaalsContact O-N 3.13Å; G771-K773 VanDerWaalsContact C-N 3.33Å; G771-K773 PolarHBondContact O-N 3.23Å; K773-M775 VanDerWaalsContact C-N 3.29Å; K773-M775 PolarHBondContact O-N 2.65Å; K773-V776 PolarHBondContact O-N 3.28Å; K773-N777 PolarHBondContact O-N 2.81Å |
| 774 | K | 82.3 | Confident | 82.8 | Confident | 58 Ų | 58 | 76.3 Ų | 76.3 | 25% | 0.252 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.6 | -23.5 | 177.5 | -65.1 | -67.3 | -172.6 | 160.3 | 0 | 112.9 | D741 V742 I770 G771 L772 V776 | D741-K774 WeakPolarHBondContact OD1-CE 3.06Å; D741-K774 IonicContact OD1-NZ 2.71Å; D741-K774 PolarHBondContact OD1-NZ 3.41Å; D741-K774 WeakPolarHBondContact OD2-CD 2.95Å; D741-K774 VanDerWaalsContact OD2-CE 3.26Å; D741-K774 WeakPolarHBondContact OD2-CE 3.03Å; D741-K774 IonicContact OD2-NZ 3.62Å; D741-K774 PolarHBondContact OD2-NZ 2.86Å; V742-K774 HydrophobicContact CG2-CG 4.4Å; I770-K774 WeakPolarHBondContact O-CG 2.91Å; I770-K774 PolarHBondContact O-N 3.37Å; G771-K774 WeakPolarHBondContact O-CB 3.07Å; G771-K774 PolarHBondContact O-N 3.04Å; G771-K774 VanDerWaalsContact O-N 3.1Å; L772-K774 VanDerWaalsContact C-N 3.29Å; L772-K774 PolarHBondContact O-N 3.5Å; K774-V776 VanDerWaalsContact C-N 3.29Å; K774-V776 PolarHBondContact O-N 3.26Å |
| 775 | M | 78.7 | Confident | 83 | Confident | 78 Ų | 78 | 73.6 Ų | 73.6 | 38% | 0.384 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.7 | -37 | 172.9 | -171.7 | 172 | 69.2 | 0 | 0 | 113.4 | G771 L772 K773 R778 I847 V848 | G771-M775 PolarHBondContact O-N 3.42Å; G771-M775 VanDerWaalsContact O-N 3.16Å; L772-M775 HydrophobicContact CD2-CE 4.24Å; L772-M775 VanDerWaalsContact O-CB 3.27Å; L772-M775 WeakPolarHBondContact O-CB 3.36Å; L772-M775 PolarHBondContact O-N 2.93Å; K773-M775 VanDerWaalsContact C-N 3.29Å; K773-M775 PolarHBondContact O-N 2.65Å; M775-R778 PolarHBondContact O-NE 2.84Å; M775-I847 HydrophobicContact CB-CG1 4.32Å; M775-I847 HydrophobicContact CB-CG2 3.54Å; M775-I847 HydrophobicContact CG-CG2 3.48Å; M775-I847 VanDerWaalsContact CG-CG2 3.48Å; M775-I847 HydrophobicContact SD-CG2 4.15Å; M775-V848 HydrophobicContact SD-CG2 4.1Å |
| 776 | V | 79.1 | Confident | 83.1 | Confident | 127 Ų | 127 | 76.3 Ų | 76.3 | 77% | 0.77 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -83.6 | -39.6 | -178.7 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | K773 K774 | K773-V776 PolarHBondContact O-N 3.28Å; K774-V776 VanDerWaalsContact C-N 3.29Å; K774-V776 PolarHBondContact O-N 3.26Å |
| 777 | N | 71.3 | Confident | 83.2 | Confident | 112 Ų | 112 | 78.5 Ų | 78.5 | 60% | 0.599 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -103.4 | 83.1 | -176.2 | -163.8 | 6.8 | 0 | 0 | 0 | 112 | K773 | K773-N777 PolarHBondContact O-N 2.81Š|
| 778 | R | 63.4 | Low | 83.6 | Confident | 108 Ų | 108 | 75.6 Ų | 75.6 | 41% | 0.408 | 38% | 0.378 | S | S | . | . | trans | -100.2 | 103.3 | -176.5 | -59.6 | -175.5 | -178.1 | -166.9 | 3.3 | 113 | M775 K782 E803 | M775-R778 PolarHBondContact O-NE 2.84Å; R778-K782 HydrophobicContact CB-CD 4.31Å; R778-K782 HydrophobicContact CB-CG 4.48Å; R778-E803 IonicContact NH1-OE1 3.6Å | ||
| 779 | K | 69.8 | Low | 83.9 | Confident | 179 Ų | 179 | 79.5 Ų | 79.5 | 78% | 0.778 | 39% | 0.385 | S | S | * | . | trans | -137.1 | -46.5 | 168.8 | -69.1 | -169 | 178.4 | -174.4 | 0 | 114.7 | ||||
| 780 | L | 75.2 | Confident | 84.3 | Confident | 79 Ų | 79 | 73 Ų | 73 | 41% | 0.414 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -55 | -165.6 | -169.4 | 64.5 | 0 | 0 | 0 | 113.6 | K787 P878 M887 | L780-K787 PolarHBondContact O-NZ 3.25Å; L780-P878 HydrophobicContact CD2-CG 4.13Å; L780-M887 HydrophobicContact CD2-CE 4.27Å; L780-M887 HydrophobicContact CD2-SD 4.37Å |
| 781 | C | 82.3 | Confident | 84.7 | Confident | 9 Ų | 9 | 75.1 Ų | 75.1 | 6% | 0.061 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 25 | -171.7 | -51.4 | 0 | 0 | 0 | 0 | 113.6 | G737 L738 I784 E803 | G737-C781 VanDerWaalsContact C-SG 3.54Å; L738-C781 HydrophobicContact CB-CB 4.45Å; C781-I784 HydrophobicContact CB-CG2 4.04Å; C781-I784 VanDerWaalsContact O-CG2 3.29Å; C781-I784 WeakPolarHBondContact O-CG2 3.38Å; C781-E803 WeakPolarHBondContact CB-O 3.35Å; C781-E803 VanDerWaalsContact O-CA 3.23Å; C781-E803 WeakPolarHBondContact O-CA 3.35Å; C781-E803 WeakPolarHBondContact O-CB 3.31Å |
| 782 | K | 83.9 | Confident | 85.3 | Confident | 91 Ų | 91 | 75.1 Ų | 75.1 | 40% | 0.396 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 141.7 | 170.1 | -84.9 | -176.7 | 165.6 | 176.3 | 0 | 110.3 | R778 I784 K787 | R778-K782 HydrophobicContact CB-CD 4.31Å; R778-K782 HydrophobicContact CB-CG 4.48Å; K782-I784 VanDerWaalsContact C-N 3.33Å; K782-I784 PolarHBondContact O-N 2.82Å; K782-K787 WeakPolarHBondContact O-CE 3.45Å; K782-K787 PolarHBondContact O-NZ 2.78Å |
| 783 | D | 85.2 | Confident | 85.7 | Confident | 81 Ų | 81 | 74 Ų | 74 | 43% | 0.433 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 48.5 | 174.9 | -63.4 | -57.5 | 0 | 0 | 0 | 113.2 | Q785 C786 | D783-Q785 VanDerWaalsContact CA-OE1 3.22Å; D783-Q785 PolarHBondContact O-N 2.76Å; D783-Q785 VanDerWaalsContact O-N 3.16Å; D783-Q785 PolarHBondContact OD1-NE2 3.06Å; D783-C786 WeakPolarHBondContact O-CB 3.3Å; D783-C786 PolarHBondContact O-N 3.15Å |
| 784 | I | 89.2 | Confident | 86 | Confident | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -62.8 | -24.8 | -175.6 | 65.2 | 156.8 | 0 | 0 | 0 | 112.2 | C781 K782 C786 K787 M788 L802 G804 | C781-I784 HydrophobicContact CB-CG2 4.04Å; C781-I784 VanDerWaalsContact O-CG2 3.29Å; C781-I784 WeakPolarHBondContact O-CG2 3.38Å; K782-I784 VanDerWaalsContact C-N 3.33Å; K782-I784 PolarHBondContact O-N 2.82Å; I784-C786 PolarHBondContact O-N 2.89Å; I784-K787 CarbonylContact O-C 3.52Å; I784-K787 WeakPolarHBondContact O-CA 3.27Å; I784-K787 WeakPolarHBondContact O-CB 3.43Å; I784-K787 PolarHBondContact O-N 3.47Å; I784-M788 HydrophobicContact CB-CE 3.89Å; I784-M788 HydrophobicContact CD1-CE 3.74Å; I784-M788 HydrophobicContact CD1-SD 4.13Å; I784-M788 HydrophobicContact CG1-CE 4.23Å; I784-M788 WeakPolarHBondContact O-CG 3.1Å; I784-M788 PolarHBondContact O-N 3.07Å; I784-M788 VanDerWaalsContact O-N 3.11Å; I784-L802 HydrophobicContact CD1-CB 4.19Å; I784-L802 HydrophobicContact CG1-CB 3.86Å; I784-L802 WeakPolarHBondContact CG1-O 3.44Å; I784-L802 PolarHBondContact N-O 3.13Å; I784-L802 VanDerWaalsContact N-O 3.08Å; I784-G804 VanDerWaalsContact CD1-CA 3.41Å |
| 785 | Q | 89.2 | Confident | 86.7 | Confident | 37 Ų | 37 | 76.2 Ų | 76.2 | 17% | 0.173 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -60.3 | -26.9 | 174.9 | 74 | -73.1 | -11.7 | 0 | 0 | 113.1 | D783 K787 M788 L799 P800 L802 | D783-Q785 VanDerWaalsContact CA-OE1 3.22Å; D783-Q785 PolarHBondContact O-N 2.76Å; D783-Q785 VanDerWaalsContact O-N 3.16Å; D783-Q785 PolarHBondContact OD1-NE2 3.06Å; Q785-K787 VanDerWaalsContact C-N 3.31Å; Q785-M788 VanDerWaalsContact O-O 3.11Å; Q785-L799 HydrophobicContact CB-CB 3.77Å; Q785-P800 WeakPolarHBondContact CB-O 3.5Å; Q785-P800 WeakPolarHBondContact CG-O 3.22Å; Q785-L802 PolarHBondContact OE1-O 3.37Å; Q785-L802 VanDerWaalsContact OE1-O 3.1Å |
| 786 | C | 90 | Very high | 87.5 | Confident | 99 Ų | 99 | 77.4 Ų | 77.4 | 67% | 0.669 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -83.7 | -12.2 | 174.8 | -60.7 | 0 | 0 | 0 | 0 | 112.3 | D783 I784 | D783-C786 WeakPolarHBondContact O-CB 3.3Å; D783-C786 PolarHBondContact O-N 3.15Å; I784-C786 PolarHBondContact O-N 2.89Å |
| 787 | K | 91 | Very high | 88.3 | Confident | 54 Ų | 54 | 73.1 Ų | 73.1 | 24% | 0.235 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | -2.5 | -175.8 | -61.6 | 173 | 176.2 | 163.1 | 0 | 112.7 | L780 K782 I784 Q785 T873 F874 T875 | L780-K787 PolarHBondContact O-NZ 3.25Å; K782-K787 WeakPolarHBondContact O-CE 3.45Å; K782-K787 PolarHBondContact O-NZ 2.78Å; I784-K787 CarbonylContact O-C 3.52Å; I784-K787 WeakPolarHBondContact O-CA 3.27Å; I784-K787 WeakPolarHBondContact O-CB 3.43Å; I784-K787 PolarHBondContact O-N 3.47Å; Q785-K787 VanDerWaalsContact C-N 3.31Å; K787-T873 WeakPolarHBondContact O-CA 3.12Å; K787-F874 VanDerWaalsContact C-CD2 3.47Å; K787-F874 WeakPolarHBondContact O-CD2 3.47Å; K787-F874 PolarHBondContact O-N 3.34Å; K787-T875 HydrophobicContact CG-CG2 4.34Å |
| 788 | M | 94.7 | Very high | 89.3 | Confident | 5 Ų | 5 | 75.3 Ų | 75.3 | 3% | 0.025 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 159.1 | 177.8 | 73 | -174.2 | 56.1 | 0 | 0 | 112.7 | I736 I784 Q785 L799 I871 T872 T873 I877 | I736-M788 HydrophobicContact CD1-CE 3.95Å; I736-M788 HydrophobicContact CG1-CE 4.12Å; I784-M788 HydrophobicContact CB-CE 3.89Å; I784-M788 HydrophobicContact CD1-CE 3.74Å; I784-M788 HydrophobicContact CD1-SD 4.13Å; I784-M788 HydrophobicContact CG1-CE 4.23Å; I784-M788 WeakPolarHBondContact O-CG 3.1Å; I784-M788 PolarHBondContact O-N 3.07Å; I784-M788 VanDerWaalsContact O-N 3.11Å; Q785-M788 VanDerWaalsContact O-O 3.11Å; M788-L799 HydrophobicContact CG-CD1 3.73Å; M788-L799 HydrophobicContact SD-CD1 4.1Å; M788-I871 HydrophobicContact CB-CG2 4.13Å; M788-I871 HydrophobicContact CG-CG2 4.45Å; M788-I871 HydrophobicContact SD-CG2 4.07Å; M788-T872 CarbonylContact C-O 3.49Å; M788-T872 WeakPolarHBondContact CA-O 3.39Å; M788-T872 WeakPolarHBondContact CB-O 3.44Å; M788-T873 HydrophobicContact CB-CG2 4.14Å; M788-I877 HydrophobicContact CE-CD1 3.4Å; M788-I877 VanDerWaalsContact CE-CD1 3.4Å |
| 789 | K | 95.8 | Very high | 90.8 | Very high | 137 Ų | 137 | 71.5 Ų | 71.5 | 60% | 0.596 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 142.6 | 166.7 | -70.6 | 179.3 | -176.1 | 178.6 | 0 | 109.4 | I871 T872 F874 | K789-I871 WeakPolarHBondContact O-CA 3.49Å; K789-T872 PolarHBondContact N-O 2.8Å; K789-T872 PolarHBondContact O-N 3.11Å; K789-F874 HydrophobicContact CB-CZ 4.45Å; K789-F874 HydrophobicContact CD-CE2 4.49Å; K789-F874 HydrophobicContact CD-CZ 3.86Å; K789-F874 HydrophobicContact CG-CE2 4.01Å; K789-F874 HydrophobicContact CG-CZ 3.78Å |
| 790 | L | 97.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.016 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130.5 | 176 | 175.9 | 66.5 | 0 | 0 | 0 | 109.5 | V792 V797 L799 L805 V841 I863 I869 I871 | L790-V792 HydrophobicContact CD1-CG2 4.01Å; L790-V792 HydrophobicContact CD2-CG2 4.14Å; L790-V792 HydrophobicContact CG-CG2 3.98Å; L790-V797 HydrophobicContact CB-CB 4.47Å; L790-V797 HydrophobicContact CD2-CB 3.97Å; L790-V797 HydrophobicContact CD2-CG1 4.11Å; L790-V797 HydrophobicContact CG-CB 4.14Å; L790-V797 PolarHBondContact O-N 2.81Å; L790-L799 HydrophobicContact CB-CD1 4.09Å; L790-L799 HydrophobicContact CB-CD2 4.09Å; L790-L799 HydrophobicContact CB-CG 4.1Å; L790-L799 HydrophobicContact CD2-CD2 3.68Å; L790-L805 HydrophobicContact CD1-CD2 4.42Å; L790-V841 HydrophobicContact CD2-CG1 3.92Å; L790-I863 HydrophobicContact CD2-CG2 3.88Å; L790-I869 HydrophobicContact CD1-CG2 3.65Å; L790-I871 HydrophobicContact CD1-CG1 3.84Å |
| 791 | E | 98.1 | Very high | 92.7 | Very high | 58 Ų | 58 | 65.6 Ų | 65.6 | 27% | 0.271 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.5 | 166.7 | -65.1 | 171 | -172.9 | 0 | 0 | 108.5 | R795 P796 K870 | E791-R795 CarbonylContact C-O 3.57Å; E791-R795 VanDerWaalsContact CA-O 3.31Å; E791-R795 WeakPolarHBondContact CA-O 3.37Å; E791-P796 HydrophobicContact CG-CG 4.49Å; E791-K870 HydrophobicContact CB-CB 4.26Å; E791-K870 PolarHBondContact N-O 2.82Å; E791-K870 PolarHBondContact O-N 2.92Å; E791-K870 WeakPolarHBondContact OE2-CD 3.47Å; E791-K870 IonicContact OE2-NZ 3.63Å |
| 792 | V | 97.9 | Very high | 93.2 | Very high | 9 Ų | 9 | 65.2 Ų | 65.2 | 6% | 0.055 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 122.9 | 177.2 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | L790 G794 R795 V797 V841 A864 H868 I869 | L790-V792 HydrophobicContact CD1-CG2 4.01Å; L790-V792 HydrophobicContact CD2-CG2 4.14Å; L790-V792 HydrophobicContact CG-CG2 3.98Å; V792-G794 PolarHBondContact O-N 2.97Å; V792-R795 PolarHBondContact N-O 2.58Å; V792-R795 WeakPolarHBondContact O-CB 3.3Å; V792-R795 PolarHBondContact O-N 3.07Å; V792-V797 HydrophobicContact CB-CG2 4.07Å; V792-V797 HydrophobicContact CG2-CG2 3.9Å; V792-V841 HydrophobicContact CG2-CG2 4.4Å; V792-A864 HydrophobicContact CB-CB 4.32Å; V792-A864 HydrophobicContact CG1-CB 4.24Å; V792-A864 HydrophobicContact CG2-CB 3.85Å; V792-H868 WeakPolarHBondContact CA-O 3.49Å; V792-I869 HydrophobicContact CG2-CG1 4.47Å |
| 793 | D | 96.9 | Very high | 93.7 | Very high | 83 Ų | 83 | 62 Ų | 62 | 44% | 0.444 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 40.6 | -174.5 | -58.7 | -31.3 | 0 | 0 | 0 | 112.5 | R795 G866 G867 H868 | D793-R795 PolarHBondContact O-N 2.9Å; D793-G866 WeakPolarHBondContact OD2-CA 3.29Å; D793-G867 PolarHBondContact OD1-N 2.92Å; D793-H868 PolarHBondContact N-O 3.37Å; D793-H868 PolarHBondContact OD1-N 3.47Å |
| 794 | G | 94.7 | Very high | 94.1 | Very high | 56 Ų | 56 | 58.1 Ų | 58.1 | 58% | 0.577 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 2.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | V792 | V792-G794 PolarHBondContact O-N 2.97Š|
| 795 | R | 95.9 | Very high | 94.5 | Very high | 194 Ų | 194 | 58.1 Ų | 58.1 | 73% | 0.732 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 124.6 | 177.9 | -60.3 | -179.3 | -177 | -179.8 | 1.8 | 110 | E791 V792 D793 V797 | E791-R795 CarbonylContact C-O 3.57Å; E791-R795 VanDerWaalsContact CA-O 3.31Å; E791-R795 WeakPolarHBondContact CA-O 3.37Å; V792-R795 PolarHBondContact N-O 2.58Å; V792-R795 WeakPolarHBondContact O-CB 3.3Å; V792-R795 PolarHBondContact O-N 3.07Å; D793-R795 PolarHBondContact O-N 2.9Å; R795-V797 PolarHBondContact O-N 3.05Å |
| 796 | P | 95.8 | Very high | 94.9 | Very high | 103 Ų | 103 | 56.3 Ų | 56.3 | 67% | 0.669 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 136.8 | 171.6 | -22.6 | 33.5 | 0 | 0 | 0 | 111.1 | E791 | E791-P796 HydrophobicContact CG-CG 4.49Å |
| 797 | V | 95.6 | Very high | 95.2 | Very high | 37 Ų | 37 | 51.6 Ų | 51.6 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 121 | 178.4 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | L790 V792 R795 L799 I863 | L790-V797 HydrophobicContact CB-CB 4.47Å; L790-V797 HydrophobicContact CD2-CB 3.97Å; L790-V797 HydrophobicContact CD2-CG1 4.11Å; L790-V797 HydrophobicContact CG-CB 4.14Å; L790-V797 PolarHBondContact O-N 2.81Å; V792-V797 HydrophobicContact CB-CG2 4.07Å; V792-V797 HydrophobicContact CG2-CG2 3.9Å; R795-V797 PolarHBondContact O-N 3.05Å; V797-L799 PolarHBondContact O-N 3.3Å; V797-I863 HydrophobicContact CG1-CG2 3.64Å |
| 798 | D | 93.7 | Very high | 95.5 | Very high | 158 Ų | 158 | 49 Ų | 49 | 85% | 0.845 | 27% | 0.268 | S | S | * | . | trans | -71.3 | 120.6 | 176.4 | -69.1 | -42.4 | 0 | 0 | 0 | 110.6 | ||||
| 799 | L | 93.7 | Very high | 95.6 | Very high | 29 Ų | 29 | 48.9 Ų | 48.9 | 15% | 0.152 | 27% | 0.267 | C | S | . | . | trans | -86.6 | 132.5 | -179.2 | -68.9 | 176.6 | 0 | 0 | 0 | 111 | Q785 M788 L790 V797 L802 L805 I863 | Q785-L799 HydrophobicContact CB-CB 3.77Å; M788-L799 HydrophobicContact CG-CD1 3.73Å; M788-L799 HydrophobicContact SD-CD1 4.1Å; L790-L799 HydrophobicContact CB-CD1 4.09Å; L790-L799 HydrophobicContact CB-CD2 4.09Å; L790-L799 HydrophobicContact CB-CG 4.1Å; L790-L799 HydrophobicContact CD2-CD2 3.68Å; V797-L799 PolarHBondContact O-N 3.3Å; L799-L802 HydrophobicContact CB-CD1 4.42Å; L799-L802 HydrophobicContact CD2-CD1 4.15Å; L799-L805 HydrophobicContact CD2-CD1 4.28Å; L799-I863 HydrophobicContact CD2-CD1 4.03Å; L799-I863 HydrophobicContact CD2-CG2 4.23Å | ||
| 800 | P | 92.5 | Very high | 95.6 | Very high | 54 Ų | 54 | 42.4 Ų | 42.4 | 35% | 0.351 | 24% | 0.239 | S | C | . | . | trans | -68.8 | 179.7 | 170.1 | 30 | -34 | 0 | 0 | 0 | 111.1 | Q785 L802 L861 | Q785-P800 WeakPolarHBondContact CB-O 3.5Å; Q785-P800 WeakPolarHBondContact CG-O 3.22Å; P800-L802 HydrophobicContact CG-CD1 4.16Å; P800-L802 HydrophobicContact CG-CD2 4.11Å; P800-L802 HydrophobicContact CG-CG 4.03Å; P800-L802 WeakPolarHBondContact O-CG 3.38Å; P800-L802 PolarHBondContact O-N 3.5Å; P800-L802 VanDerWaalsContact O-N 3.15Å; P800-L861 HydrophobicContact CG-CD1 3.95Å | ||
| 801 | S | 92.4 | Very high | 95.3 | Very high | 80 Ų | 80 | 44.4 Ų | 44.4 | 56% | 0.559 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -64.3 | 116.4 | 172.3 | -177.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 802 | L | 94.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | trans | -135.5 | 154.6 | -172.7 | -65.4 | 173.7 | 0 | 0 | 0 | 110.9 | I784 Q785 L799 P800 L805 T845 L861 I863 | I784-L802 HydrophobicContact CD1-CB 4.19Å; I784-L802 HydrophobicContact CG1-CB 3.86Å; I784-L802 WeakPolarHBondContact CG1-O 3.44Å; I784-L802 PolarHBondContact N-O 3.13Å; I784-L802 VanDerWaalsContact N-O 3.08Å; Q785-L802 PolarHBondContact OE1-O 3.37Å; Q785-L802 VanDerWaalsContact OE1-O 3.1Å; L799-L802 HydrophobicContact CB-CD1 4.42Å; L799-L802 HydrophobicContact CD2-CD1 4.15Å; P800-L802 HydrophobicContact CG-CD1 4.16Å; P800-L802 HydrophobicContact CG-CD2 4.11Å; P800-L802 HydrophobicContact CG-CG 4.03Å; P800-L802 WeakPolarHBondContact O-CG 3.38Å; P800-L802 PolarHBondContact O-N 3.5Å; P800-L802 VanDerWaalsContact O-N 3.15Å; L802-L805 HydrophobicContact CD1-CD1 4.2Å; L802-T845 HydrophobicContact CD2-CG2 4.1Å; L802-L861 HydrophobicContact CD2-CD1 3.99Å; L802-I863 HydrophobicContact CD1-CD1 3.81Å | ||
| 803 | E | 93.9 | Very high | 94.9 | Very high | 23 Ų | 23 | 41.7 Ų | 41.7 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -111.9 | -12.3 | 165.9 | -65.2 | -171.3 | -178 | 0 | 0 | 112 | L738 R778 C781 V844 G846 | L738-E803 HydrophobicContact CB-CB 4.15Å; L738-E803 VanDerWaalsContact CB-O 3.28Å; L738-E803 WeakPolarHBondContact CB-O 3.41Å; L738-E803 HydrophobicContact CD2-CB 4.19Å; L738-E803 PolarHBondContact N-O 3.16Å; R778-E803 IonicContact NH1-OE1 3.6Å; C781-E803 WeakPolarHBondContact CB-O 3.35Å; C781-E803 VanDerWaalsContact O-CA 3.23Å; C781-E803 WeakPolarHBondContact O-CA 3.35Å; C781-E803 WeakPolarHBondContact O-CB 3.31Å; E803-V844 PolarHBondContact N-O 2.81Å; E803-G846 WeakPolarHBondContact OE2-CA 3.32Å |
| 804 | G | 94 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 157.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I736 I784 V844 | I736-G804 CarbonylContact O-C 3.48Å; I736-G804 VanDerWaalsContact O-CA 3.3Å; I736-G804 WeakPolarHBondContact O-CA 3.3Å; I784-G804 VanDerWaalsContact CD1-CA 3.41Å; G804-V844 PolarHBondContact N-O 3.41Å; G804-V844 PolarHBondContact O-N 3.36Å |
| 805 | L | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 137.5 | 171.3 | -162.9 | 77.5 | 0 | 0 | 0 | 108.5 | I736 L790 L799 L802 V841 V842 I863 I871 | I736-L805 HydrophobicContact CG2-CB 3.59Å; I736-L805 HydrophobicContact CG2-CD2 4.48Å; I736-L805 WeakPolarHBondContact CG2-O 3.31Å; I736-L805 PolarHBondContact N-O 2.88Å; I736-L805 PolarHBondContact O-N 3.09Å; L790-L805 HydrophobicContact CD1-CD2 4.42Å; L799-L805 HydrophobicContact CD2-CD1 4.28Å; L802-L805 HydrophobicContact CD1-CD1 4.2Å; L805-V841 HydrophobicContact CD1-CG1 3.66Å; L805-V841 HydrophobicContact CD2-CG1 3.89Å; L805-V841 HydrophobicContact CG-CG1 3.88Å; L805-V842 CarbonylContact C-O 3.42Å; L805-V842 WeakPolarHBondContact CA-O 3.3Å; L805-I863 HydrophobicContact CD1-CD1 3.38Å; L805-I871 HydrophobicContact CD2-CD1 4.04Å |
| 806 | V | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 126.8 | 176.9 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | F734 D739 L808 V842 V844 | F734-V806 CarbonylContact O-C 3.48Å; F734-V806 WeakPolarHBondContact O-CA 3.45Å; D739-V806 HydrophobicContact CB-CG2 4.45Å; V806-L808 HydrophobicContact CG1-CD2 3.57Å; V806-L808 HydrophobicContact CG1-CG 4.14Å; V806-V842 PolarHBondContact N-O 2.9Å; V806-V842 PolarHBondContact O-N 3.23Å; V806-V844 HydrophobicContact CG2-CG2 4.21Å |
| 807 | I | 98 | Very high | 93.5 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 114.9 | 178.1 | -61.8 | 177.6 | 0 | 0 | 0 | 107.5 | Y733 F734 L839 E840 V841 I869 I871 I895 | Y733-I807 CarbonylContact C-O 3.56Å; Y733-I807 WeakPolarHBondContact CA-O 3.36Å; Y733-I807 WeakPolarHBondContact CB-O 3.42Å; F734-I807 HydrophobicContact CB-CB 4.27Å; F734-I807 HydrophobicContact CD1-CB 4.42Å; F734-I807 HydrophobicContact CD1-CD1 3.95Å; F734-I807 HydrophobicContact CD1-CG1 4.3Å; F734-I807 HydrophobicContact CE1-CD1 4.49Å; F734-I807 PolarHBondContact N-O 2.71Å; F734-I807 PolarHBondContact O-N 2.87Å; I807-L839 HydrophobicContact CG2-CB 3.82Å; I807-L839 HydrophobicContact CG2-CD1 3.77Å; I807-L839 HydrophobicContact CG2-CD2 4.25Å; I807-L839 HydrophobicContact CG2-CG 4.17Å; I807-E840 CarbonylContact C-O 3.52Å; I807-E840 WeakPolarHBondContact CA-O 3.35Å; I807-V841 HydrophobicContact CG1-CG2 4.47Å; I807-I869 HydrophobicContact CB-CD1 4.48Å; I807-I869 HydrophobicContact CD1-CB 4.36Å; I807-I869 HydrophobicContact CD1-CD1 3.92Å; I807-I869 HydrophobicContact CD1-CG2 3.66Å; I807-I869 HydrophobicContact CG1-CD1 4.24Å; I807-I869 HydrophobicContact CG2-CD1 3.45Å; I807-I869 VanDerWaalsContact CG2-CD1 3.45Å; I807-I871 HydrophobicContact CD1-CD1 3.62Å; I807-I895 HydrophobicContact CD1-CD1 3.58Å; I807-I895 HydrophobicContact CG2-CD1 4.33Å |
| 808 | L | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 134.5 | -172.9 | -53.3 | 166.1 | 0 | 0 | 0 | 110.5 | Y733 V806 M811 W813 P819 L839 E840 V842 | Y733-L808 HydrophobicContact CD1-CD2 4.44Å; Y733-L808 HydrophobicContact CG-CD2 4.18Å; V806-L808 HydrophobicContact CG1-CD2 3.57Å; V806-L808 HydrophobicContact CG1-CG 4.14Å; L808-M811 HydrophobicContact CB-CE 3.87Å; L808-M811 HydrophobicContact CD1-CE 3.96Å; L808-W813 HydrophobicContact CD2-CB 3.98Å; L808-W813 HydrophobicContact CD2-CG 4.4Å; L808-P819 HydrophobicContact CD1-CB 3.98Å; L808-P819 HydrophobicContact CD1-CG 3.93Å; L808-P819 HydrophobicContact CD2-CG 4.28Å; L808-L839 WeakPolarHBondContact O-CA 3.28Å; L808-L839 WeakPolarHBondContact O-CD2 3.26Å; L808-E840 HydrophobicContact CB-CB 4.17Å; L808-E840 HydrophobicContact CD1-CB 4.44Å; L808-E840 PolarHBondContact N-O 3.37Å; L808-E840 PolarHBondContact O-N 3.02Å; L808-V842 HydrophobicContact CD1-CG2 3.99Å |
| 809 | N | 96.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -96.5 | -24.9 | 159.1 | -178.5 | 46.3 | 0 | 0 | 0 | 111.1 | D690 W692 M730 N731 N732 H834 L839 | D690-N809 PolarHBondContact O-ND2 3.36Å; W692-N809 PolarHBondContact NE1-OD1 3.33Å; M730-N809 HydrophobicContact CE-CB 4.17Å; N731-N809 PolarHBondContact O-ND2 3.32Å; N732-N809 WeakPolarHBondContact O-CB 3.3Å; N732-N809 PolarHBondContact O-N 2.97Å; N809-H834 WeakPolarHBondContact O-CA 3.36Å; N809-H834 VanDerWaalsContact O-CB 3.3Å; N809-H834 WeakPolarHBondContact O-CB 3.48Å; N809-L839 HydrophobicContact CB-CD2 3.75Å |
| 810 | I | 95.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -123.2 | 143.2 | -179.6 | 71.1 | 169 | 0 | 0 | 0 | 111 | D657 L658 V661 L689 N732 Y733 S812 H834 | D657-I810 HydrophobicContact CB-CD1 3.92Å; L658-I810 HydrophobicContact CB-CD1 4.31Å; L658-I810 HydrophobicContact CD1-CD1 4.41Å; L658-I810 HydrophobicContact CD1-CG2 4.19Å; V661-I810 HydrophobicContact CG2-CB 4.15Å; V661-I810 HydrophobicContact CG2-CD1 4.31Å; L689-I810 HydrophobicContact CD1-CG2 4.28Å; N732-I810 HydrophobicContact CB-CD1 3.74Å; N732-I810 HydrophobicContact CB-CG1 4.03Å; N732-I810 PolarHBondContact O-N 3.08Å; N732-I810 WeakPolarHBondContact OD1-CD1 2.99Å; Y733-I810 HydrophobicContact CD1-CG1 4.49Å; I810-S812 PolarHBondContact O-N 2.91Å; I810-H834 HydrophobicContact CG2-CB 3.94Å |
| 811 | M | 92.2 | Very high | 92.7 | Very high | 46 Ų | 46 | 16 Ų | 16 | 23% | 0.227 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -79.5 | 45.8 | 177.9 | -65.5 | -61.2 | 102.2 | 0 | 0 | 113 | L808 W820 P832 E840 | L808-M811 HydrophobicContact CB-CE 3.87Å; L808-M811 HydrophobicContact CD1-CE 3.96Å; M811-W820 HydrophobicContact SD-CB 3.6Å; M811-W820 VanDerWaalsContact SD-CB 3.6Å; M811-W820 HydrophobicContact SD-CG 4.17Å; M811-P832 HydrophobicContact CE-CB 3.79Å; M811-P832 HydrophobicContact CE-CG 4.45Å; M811-P832 HydrophobicContact CG-CB 3.69Å; M811-P832 HydrophobicContact SD-CB 3.51Å; M811-P832 VanDerWaalsContact SD-CB 3.51Å; M811-P832 HydrophobicContact SD-CG 3.88Å; M811-E840 HydrophobicContact CE-CB 4.03Å; M811-E840 HydrophobicContact CE-CG 3.69Å; M811-E840 WeakPolarHBondContact CE-OE2 3.33Å |
| 812 | S | 93.6 | Very high | 92 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 3% | 0.028 | 11% | 0.107 | C | C | . | . | trans | -150.1 | 124.2 | 173.2 | -173.3 | 0 | 0 | 0 | 0 | 109 | D657 Y733 I810 G816 A817 | D657-S812 PolarHBondContact OD1-OG 2.88Å; Y733-S812 WeakPolarHBondContact CE1-O 3.47Å; I810-S812 PolarHBondContact O-N 2.91Å; S812-G816 WeakPolarHBondContact OG-CA 3.49Å; S812-A817 CarbonylContact C-O 3.58Å; S812-A817 WeakPolarHBondContact CA-O 3.44Å | ||
| 813 | W | 93.3 | Very high | 90.7 | Very high | 5 Ų | 5 | 23.4 Ų | 23.4 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | B | Isolated β-bridge | trans | -142.7 | 152.5 | -178.5 | 167.8 | 92.3 | 0 | 0 | 0 | 109.8 | Y733 D739 L808 S815 G816 A817 P819 L850 M853 Q854 | Y733-W813 AromaticContact CD2-CD1 3.52Å; Y733-W813 HydrophobicContact CE1-CB 4.32Å; Y733-W813 AromaticContact CE2-CD1 3.31Å; Y733-W813 HydrophobicContact CE2-CG 4.33Å; Y733-W813 AromaticContact CE2-NE1 3.82Å; Y733-W813 AromaticContact CZ-CD1 3.69Å; D739-W813 HydrophobicContact CB-CZ2 4.35Å; D739-W813 WeakPolarHBondContact OD1-CZ2 3.38Å; D739-W813 PolarHBondContact OD2-NE1 2.9Å; L808-W813 HydrophobicContact CD2-CB 3.98Å; L808-W813 HydrophobicContact CD2-CG 4.4Å; W813-S815 VanDerWaalsContact C-N 3.28Å; W813-S815 PolarHBondContact O-N 2.82Å; W813-G816 PolarHBondContact O-N 3.2Å; W813-A817 HydrophobicContact CE3-CB 4.17Å; W813-A817 PolarHBondContact N-O 3.19Å; W813-A817 WeakPolarHBondContact O-CA 3.45Å; W813-A817 WeakPolarHBondContact O-CB 3.38Å; W813-A817 PolarHBondContact O-N 3.14Å; W813-P819 HydrophobicContact CB-CG 3.47Å; W813-P819 VanDerWaalsContact CB-CG 3.47Å; W813-P819 HydrophobicContact CD2-CG 3.91Å; W813-P819 HydrophobicContact CE3-CG 3.84Å; W813-P819 HydrophobicContact CG-CG 3.78Å; W813-L850 HydrophobicContact CH2-CD1 3.34Å; W813-L850 HydrophobicContact CH2-CG 3.89Å; W813-L850 HydrophobicContact CZ2-CD1 3.61Å; W813-L850 HydrophobicContact CZ2-CG 4.47Å; W813-L850 HydrophobicContact CZ3-CD1 4.44Å; W813-M853 HydrophobicContact CZ3-CB 4.46Å; W813-Q854 HydrophobicContact CZ3-CB 4.25Å |
| 814 | G | 86.2 | Confident | 89.5 | Confident | 16 Ų | 16 | 29.7 Ų | 29.7 | 17% | 0.165 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 32.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q854 | G814-Q854 PolarHBondContact O-NE2 2.9Š|
| 815 | S | 86.9 | Confident | 88.1 | Confident | 31 Ų | 31 | 39.5 Ų | 39.5 | 22% | 0.217 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 39.8 | -174.8 | -145.1 | 0 | 0 | 0 | 0 | 115.1 | D657 R660 K764 W813 | D657-S815 PolarHBondContact OD1-N 3.5Å; R660-S815 PolarHBondContact NH2-O 3.2Å; R660-S815 PolarHBondContact NH2-OG 3.19Å; K764-S815 VanDerWaalsContact CE-OG 3.3Å; K764-S815 WeakPolarHBondContact CE-OG 3.43Å; K764-S815 PolarHBondContact NZ-OG 2.98Å; W813-S815 VanDerWaalsContact C-N 3.28Å; W813-S815 PolarHBondContact O-N 2.82Å |
| 816 | G | 89.4 | Confident | 87 | Confident | 36 Ų | 36 | 42.1 Ų | 42.1 | 37% | 0.371 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 105.9 | 5.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | D657 S812 W813 | D657-G816 PolarHBondContact OD1-N 2.79Å; S812-G816 WeakPolarHBondContact OG-CA 3.49Å; W813-G816 PolarHBondContact O-N 3.2Å |
| 817 | A | 91.2 | Very high | 86 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -72.7 | 153.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S812 W813 P819 M853 | S812-A817 CarbonylContact C-O 3.58Å; S812-A817 WeakPolarHBondContact CA-O 3.44Å; W813-A817 HydrophobicContact CE3-CB 4.17Å; W813-A817 PolarHBondContact N-O 3.19Å; W813-A817 WeakPolarHBondContact O-CA 3.45Å; W813-A817 WeakPolarHBondContact O-CB 3.38Å; W813-A817 PolarHBondContact O-N 3.14Å; A817-P819 WeakPolarHBondContact O-CD 3.36Å; A817-M853 WeakPolarHBondContact CB-O 3.4Å |
| 818 | N | 91.9 | Very high | 85.3 | Confident | 64 Ų | 64 | 53.4 Ų | 53.4 | 34% | 0.342 | 30% | 0.301 | S | S | . | . | trans | -110.1 | 96.1 | 173.6 | 175.2 | 3.4 | 0 | 0 | 0 | 108.5 | W820 G821 | N818-W820 VanDerWaalsContact C-N 3.26Å; N818-W820 PolarHBondContact O-N 3.45Å; N818-W820 WeakPolarHBondContact OD1-CB 3.35Å; N818-W820 PolarHBondContact OD1-N 3.21Å; N818-W820 VanDerWaalsContact OD1-N 3.15Å; N818-G821 PolarHBondContact ND2-O 3.06Å; N818-G821 PolarHBondContact O-N 2.65Å; N818-G821 PolarHBondContact OD1-N 3.16Å | ||
| 819 | P | 91 | Very high | 84.8 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -28.6 | -178.3 | -21.1 | 33.5 | 0 | 0 | 0 | 113 | L808 W813 A817 G821 V842 M853 S859 G860 | L808-P819 HydrophobicContact CD1-CB 3.98Å; L808-P819 HydrophobicContact CD1-CG 3.93Å; L808-P819 HydrophobicContact CD2-CG 4.28Å; W813-P819 HydrophobicContact CB-CG 3.47Å; W813-P819 VanDerWaalsContact CB-CG 3.47Å; W813-P819 HydrophobicContact CD2-CG 3.91Å; W813-P819 HydrophobicContact CE3-CG 3.84Å; W813-P819 HydrophobicContact CG-CG 3.78Å; A817-P819 WeakPolarHBondContact O-CD 3.36Å; P819-G821 PolarHBondContact O-N 2.93Å; P819-V842 HydrophobicContact CB-CB 4.44Å; P819-V842 HydrophobicContact CB-CG1 3.95Å; P819-V842 HydrophobicContact CB-CG2 4.29Å; P819-M853 HydrophobicContact CB-CE 3.6Å; P819-M853 HydrophobicContact CG-CE 4.34Å; P819-S859 WeakPolarHBondContact O-CB 3.49Å; P819-G860 PolarHBondContact O-N 3.46Å |
| 820 | W | 91.7 | Very high | 84.4 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 4% | 0.038 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -24.5 | 175.2 | -160.7 | -107.7 | 0 | 0 | 0 | 111.8 | M811 N818 F829 P832 E840 V842 R862 A864 Q865 | M811-W820 HydrophobicContact SD-CB 3.6Å; M811-W820 VanDerWaalsContact SD-CB 3.6Å; M811-W820 HydrophobicContact SD-CG 4.17Å; N818-W820 VanDerWaalsContact C-N 3.26Å; N818-W820 PolarHBondContact O-N 3.45Å; N818-W820 WeakPolarHBondContact OD1-CB 3.35Å; N818-W820 PolarHBondContact OD1-N 3.21Å; N818-W820 VanDerWaalsContact OD1-N 3.15Å; W820-F829 HydrophobicContact CH2-CD1 4.12Å; W820-F829 HydrophobicContact CH2-CE1 4.24Å; W820-F829 HydrophobicContact CH2-CG 4.37Å; W820-F829 HydrophobicContact CZ2-CB 4.09Å; W820-F829 AromaticContact CZ2-CD1 3.93Å; W820-F829 HydrophobicContact CZ2-CD1 3.93Å; W820-F829 HydrophobicContact CZ2-CD2 4.17Å; W820-F829 HydrophobicContact CZ2-CE1 4.45Å; W820-F829 AromaticContact CZ2-CG 3.78Å; W820-F829 HydrophobicContact CZ2-CG 3.78Å; W820-P832 VanDerWaalsContact CD1-CG 3.47Å; W820-P832 HydrophobicContact CD2-CG 4.44Å; W820-P832 HydrophobicContact CG-CG 4.06Å; W820-E840 HydrophobicContact CD2-CB 4.06Å; W820-E840 HydrophobicContact CD2-CG 3.66Å; W820-E840 HydrophobicContact CE3-CB 3.42Å; W820-E840 VanDerWaalsContact CE3-CB 3.42Å; W820-E840 HydrophobicContact CE3-CG 3.55Å; W820-E840 HydrophobicContact CG-CG 4.29Å; W820-E840 HydrophobicContact CH2-CB 4.21Å; W820-E840 HydrophobicContact CH2-CG 4.04Å; W820-E840 HydrophobicContact CZ2-CG 4.12Å; W820-E840 HydrophobicContact CZ3-CB 3.51Å; W820-E840 HydrophobicContact CZ3-CG 3.75Å; W820-V842 HydrophobicContact CE3-CG2 3.51Å; W820-V842 HydrophobicContact CZ3-CG2 3.96Å; W820-R862 HydrophobicContact CD2-CG 3.98Å; W820-R862 HydrophobicContact CE3-CB 4.49Å; W820-R862 HydrophobicContact CE3-CG 4.04Å; W820-R862 HydrophobicContact CH2-CB 4Å; W820-R862 HydrophobicContact CH2-CG 4.22Å; W820-R862 HydrophobicContact CZ2-CB 4.27Å; W820-R862 HydrophobicContact CZ2-CG 4.17Å; W820-R862 HydrophobicContact CZ3-CB 4.12Å; W820-R862 HydrophobicContact CZ3-CG 4.16Å; W820-R862 VanDerWaalsContact O-CZ 3.24Å; W820-R862 PolarHBondContact O-NE 3.04Å; W820-R862 PolarHBondContact O-NH2 2.8Å; W820-A864 WeakPolarHBondContact CH2-O 3.31Å; W820-Q865 HydrophobicContact CH2-CG 3.72Å; W820-Q865 HydrophobicContact CZ2-CG 3.81Å |
| 821 | G | 85.2 | Confident | 84.1 | Confident | 8 Ų | 8 | 64.3 Ų | 64.3 | 8% | 0.082 | 36% | 0.356 | C | S | . | . | trans | 82.3 | -174 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N818 P819 | N818-G821 PolarHBondContact ND2-O 3.06Å; N818-G821 PolarHBondContact O-N 2.65Å; N818-G821 PolarHBondContact OD1-N 3.16Å; P819-G821 PolarHBondContact O-N 2.93Å | ||
| 822 | P | 78.1 | Confident | 84 | Confident | 85 Ų | 85 | 63.3 Ų | 63.3 | 55% | 0.552 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -64.2 | 151.6 | -176.3 | 26.8 | -34.1 | 0 | 0 | 0 | 112 | K824 R862 | P822-K824 PolarHBondContact O-N 3.29Å; P822-R862 PolarHBondContact O-NH2 2.96Å |
| 823 | E | 66.3 | Low | 83.7 | Confident | 152 Ų | 152 | 65.1 Ų | 65.1 | 71% | 0.71 | 36% | 0.362 | S | S | * | . | trans | -58.6 | 99 | 171.8 | -65 | -178.8 | -163.2 | 0 | 0 | 108.7 | K831 | E823-K831 WeakPolarHBondContact OE1-CE 3.37Å; E823-K831 IonicContact OE1-NZ 3.1Å; E823-K831 PolarHBondContact OE1-NZ 3.3Å; E823-K831 IonicContact OE2-NZ 3.77Å; E823-K831 PolarHBondContact OE2-NZ 2.69Å | ||
| 824 | K | 69.3 | Low | 83.6 | Confident | 156 Ų | 156 | 65.6 Ų | 65.6 | 68% | 0.678 | 36% | 0.364 | S | S | * | . | trans | -107.7 | 133.3 | 164.4 | -69.9 | -174.9 | 178.3 | -179.2 | 0 | 105.6 | P822 D826 | P822-K824 PolarHBondContact O-N 3.29Å; K824-D826 VanDerWaalsContact C-N 3.31Å; K824-D826 PolarHBondContact O-N 2.97Å | ||
| 825 | E | 64.5 | Low | 83.8 | Confident | 205 Ų | 205 | 70.9 Ų | 70.9 | 96% | 0.958 | 38% | 0.38 | S | S | * | . | trans | -63.9 | 97.1 | 169.8 | -69.4 | -178.5 | 177.1 | 0 | 0 | 107.9 | ||||
| 826 | D | 73.4 | Confident | 84.1 | Confident | 56 Ų | 56 | 71.7 Ų | 71.7 | 30% | 0.299 | 38% | 0.382 | S | S | . | . | trans | -108.6 | 111.8 | 169.4 | -172.6 | -24.4 | 0 | 0 | 0 | 106 | K824 C828 F829 | K824-D826 VanDerWaalsContact C-N 3.31Å; K824-D826 PolarHBondContact O-N 2.97Å; D826-C828 PolarHBondContact O-N 2.89Å; D826-C828 VanDerWaalsContact OD1-CB 3.29Å; D826-C828 WeakPolarHBondContact OD1-CB 3.4Å; D826-C828 PolarHBondContact OD1-N 3.11Å; D826-F829 HydrophobicContact CB-CD2 4.26Å; D826-F829 PolarHBondContact O-N 3.34Å; D826-F829 VanDerWaalsContact O-O 3.06Å | ||
| 827 | P | 75.2 | Confident | 84.3 | Confident | 136 Ų | 136 | 70.7 Ų | 70.7 | 88% | 0.883 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -13.7 | -177 | 24.8 | -33 | 0 | 0 | 0 | 113.2 | ||
| 828 | C | 82.4 | Confident | 84.5 | Confident | 100 Ų | 100 | 72.5 Ų | 72.5 | 68% | 0.676 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -19.1 | 175.7 | -62.9 | 0 | 0 | 0 | 0 | 113.8 | D826 | D826-C828 PolarHBondContact O-N 2.89Å; D826-C828 VanDerWaalsContact OD1-CB 3.29Å; D826-C828 WeakPolarHBondContact OD1-CB 3.4Å; D826-C828 PolarHBondContact OD1-N 3.11Å |
| 829 | F | 87.7 | Confident | 84.8 | Confident | 51 Ų | 51 | 69.4 Ų | 69.4 | 22% | 0.224 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -129.4 | 137.4 | -171 | -63.9 | -57.8 | 0 | 0 | 0 | 112.3 | W820 D826 R862 Q865 | W820-F829 HydrophobicContact CH2-CD1 4.12Å; W820-F829 HydrophobicContact CH2-CE1 4.24Å; W820-F829 HydrophobicContact CH2-CG 4.37Å; W820-F829 HydrophobicContact CZ2-CB 4.09Å; W820-F829 AromaticContact CZ2-CD1 3.93Å; W820-F829 HydrophobicContact CZ2-CD1 3.93Å; W820-F829 HydrophobicContact CZ2-CD2 4.17Å; W820-F829 HydrophobicContact CZ2-CE1 4.45Å; W820-F829 AromaticContact CZ2-CG 3.78Å; W820-F829 HydrophobicContact CZ2-CG 3.78Å; D826-F829 HydrophobicContact CB-CD2 4.26Å; D826-F829 PolarHBondContact O-N 3.34Å; D826-F829 VanDerWaalsContact O-O 3.06Å; F829-R862 HydrophobicContact CE2-CB 3.98Å; F829-R862 HydrophobicContact CZ-CB 4.38Å; F829-Q865 VanDerWaalsContact CA-OE1 3.29Å; F829-Q865 VanDerWaalsContact CB-OE1 3.25Å; F829-Q865 HydrophobicContact CD1-CB 4.34Å; F829-Q865 HydrophobicContact CD1-CG 4.11Å |
| 830 | S | 88.1 | Confident | 85 | Confident | 54 Ų | 54 | 69.4 Ų | 69.4 | 38% | 0.378 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 162.6 | 171.3 | 64.3 | 0 | 0 | 0 | 0 | 110.3 | P832 L838 Q865 | S830-P832 VanDerWaalsContact O-CD 3.24Å; S830-P832 WeakPolarHBondContact O-CD 3.5Å; S830-L838 WeakPolarHBondContact OG-CD1 3.25Å; S830-Q865 PolarHBondContact O-NE2 3.28Å; S830-Q865 PolarHBondContact O-OE1 3.06Å; S830-Q865 PolarHBondContact OG-OE1 3.2Å |
| 831 | K | 88.4 | Confident | 85.3 | Confident | 127 Ų | 127 | 69 Ų | 69 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 117.8 | 176.1 | 178.9 | 171.3 | 177.1 | 151 | 0 | 110.2 | E823 N833 | E823-K831 WeakPolarHBondContact OE1-CE 3.37Å; E823-K831 IonicContact OE1-NZ 3.1Å; E823-K831 PolarHBondContact OE1-NZ 3.3Å; E823-K831 IonicContact OE2-NZ 3.77Å; E823-K831 PolarHBondContact OE2-NZ 2.69Å; K831-N833 PolarHBondContact O-N 2.57Å; K831-N833 PolarHBondContact O-ND2 3.29Å |
| 832 | P | 89.3 | Confident | 85.8 | Confident | 24 Ų | 24 | 68.6 Ų | 68.6 | 16% | 0.156 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 134.4 | -178.6 | -27.3 | 36.4 | 0 | 0 | 0 | 113.1 | M811 W820 S830 E840 | M811-P832 HydrophobicContact CE-CB 3.79Å; M811-P832 HydrophobicContact CE-CG 4.45Å; M811-P832 HydrophobicContact CG-CB 3.69Å; M811-P832 HydrophobicContact SD-CB 3.51Å; M811-P832 VanDerWaalsContact SD-CB 3.51Å; M811-P832 HydrophobicContact SD-CG 3.88Å; W820-P832 VanDerWaalsContact CD1-CG 3.47Å; W820-P832 HydrophobicContact CD2-CG 4.44Å; W820-P832 HydrophobicContact CG-CG 4.06Å; S830-P832 VanDerWaalsContact O-CD 3.24Å; S830-P832 WeakPolarHBondContact O-CD 3.5Å; P832-E840 WeakPolarHBondContact CA-OE1 3.23Å; P832-E840 HydrophobicContact CB-CG 4.11Å; P832-E840 VanDerWaalsContact CB-OE1 3.29Å; P832-E840 WeakPolarHBondContact CB-OE1 3.28Å; P832-E840 HydrophobicContact CG-CG 3.94Å |
| 833 | N | 88.9 | Confident | 86.6 | Confident | 43 Ų | 43 | 64.5 Ų | 64.5 | 23% | 0.23 | 33% | 0.332 | C | S | . | . | trans | -150.9 | 160 | 167 | 64.8 | 82.6 | 0 | 0 | 0 | 110.1 | K831 Y835 D836 | K831-N833 PolarHBondContact O-N 2.57Å; K831-N833 PolarHBondContact O-ND2 3.29Å; N833-Y835 HydrophobicContact CB-CE1 4.14Å; N833-Y835 PolarHBondContact O-N 2.88Å; N833-Y835 WeakPolarHBondContact OD1-CD2 3.24Å; N833-Y835 PolarHBondContact OD1-N 3.13Å; N833-D836 PolarHBondContact N-OD2 2.87Å; N833-D836 WeakPolarHBondContact ND2-CB 3.33Å; N833-D836 PolarHBondContact ND2-OD2 3.29Å; N833-D836 VanDerWaalsContact O-CG 3.24Å; N833-D836 WeakPolarHBondContact OD1-CB 3.42Å; N833-D836 VanDerWaalsContact OD1-CG 3.29Å; N833-D836 PolarHBondContact OD1-N 3.48Å; N833-D836 PolarHBondContact OD1-OD2 3.4Å | ||
| 834 | H | 91.1 | Very high | 87.9 | Confident | 14 Ų | 14 | 57.3 Ų | 57.3 | 7% | 0.065 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 19.7 | -170.3 | 53.2 | -90 | 0 | 0 | 0 | 113.9 | C688 L689 D690 N809 I810 | C688-H834 PolarHBondContact O-CD2 2.9Å; L689-H834 HydrophobicContact CD1-CB 4.02Å; D690-H834 PolarHBondContact N-O 2.96Å; N809-H834 WeakPolarHBondContact O-CA 3.36Å; N809-H834 VanDerWaalsContact O-CB 3.3Å; N809-H834 WeakPolarHBondContact O-CB 3.48Å; I810-H834 HydrophobicContact CG2-CB 3.94Å |
| 835 | Y | 90.8 | Very high | 89 | Confident | 128 Ų | 128 | 52.8 Ų | 52.8 | 50% | 0.502 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.1 | 13.1 | -175.9 | 58.5 | -98.1 | 0 | 0 | 0 | 113.8 | D690 N833 | D690-Y835 VanDerWaalsContact OD2-C 3.26Å; D690-Y835 WeakPolarHBondContact OD2-CA 3.24Å; N833-Y835 HydrophobicContact CB-CE1 4.14Å; N833-Y835 PolarHBondContact O-N 2.88Å; N833-Y835 WeakPolarHBondContact OD1-CD2 3.24Å; N833-Y835 PolarHBondContact OD1-N 3.13Å |
| 836 | D | 92.7 | Very high | 90.3 | Very high | 47 Ų | 47 | 43.3 Ų | 43.3 | 25% | 0.251 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -89.2 | -4.8 | -179.8 | 50 | 18.2 | 0 | 0 | 0 | 113.5 | N833 L838 | N833-D836 PolarHBondContact N-OD2 2.87Å; N833-D836 WeakPolarHBondContact ND2-CB 3.33Å; N833-D836 PolarHBondContact ND2-OD2 3.29Å; N833-D836 VanDerWaalsContact O-CG 3.24Å; N833-D836 WeakPolarHBondContact OD1-CB 3.42Å; N833-D836 VanDerWaalsContact OD1-CG 3.29Å; N833-D836 PolarHBondContact OD1-N 3.48Å; N833-D836 PolarHBondContact OD1-OD2 3.4Å; D836-L838 VanDerWaalsContact C-N 3.3Å; D836-L838 WeakPolarHBondContact OD1-CB 3.31Å; D836-L838 PolarHBondContact OD1-N 3.1Å |
| 837 | G | 93.1 | Very high | 91 | Very high | 15 Ų | 15 | 41.4 Ų | 41.4 | 16% | 0.155 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 72.1 | 23.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D690 W692 G867 | D690-G837 WeakPolarHBondContact OD2-CA 3.26Å; D690-G837 PolarHBondContact OD2-N 3.33Å; W692-G837 WeakPolarHBondContact CH2-O 3.42Å; G837-G867 WeakPolarHBondContact O-CA 3.38Å |
| 838 | L | 95.6 | Very high | 91.7 | Very high | 47 Ų | 47 | 38.8 Ų | 38.8 | 25% | 0.246 | 21% | 0.212 | C | C | . | . | trans | -119.8 | 154.7 | 175.1 | -57.6 | 175.3 | 0 | 0 | 0 | 110.9 | W692 S830 D836 | W692-L838 WeakPolarHBondContact CZ2-O 3.35Å; S830-L838 WeakPolarHBondContact OG-CD1 3.25Å; D836-L838 VanDerWaalsContact C-N 3.3Å; D836-L838 WeakPolarHBondContact OD1-CB 3.31Å; D836-L838 PolarHBondContact OD1-N 3.1Å | ||
| 839 | L | 97.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 142.2 | 171.2 | -70.3 | 170.6 | 0 | 0 | 0 | 109.6 | W692 M730 I807 L808 N809 Q865 G866 I869 I895 | W692-L839 HydrophobicContact CD2-CD1 3.73Å; W692-L839 HydrophobicContact CD2-CD2 3.77Å; W692-L839 HydrophobicContact CD2-CG 3.82Å; W692-L839 VanDerWaalsContact CE2-CD2 3.48Å; W692-L839 HydrophobicContact CE3-CD1 3.44Å; W692-L839 VanDerWaalsContact CE3-CD1 3.44Å; W692-L839 HydrophobicContact CE3-CD2 4.31Å; W692-L839 HydrophobicContact CE3-CG 3.85Å; W692-L839 HydrophobicContact CG-CD1 4.36Å; W692-L839 HydrophobicContact CG-CD2 4.1Å; W692-L839 HydrophobicContact CH2-CD1 4.07Å; W692-L839 HydrophobicContact CH2-CD2 4.34Å; W692-L839 HydrophobicContact CH2-CG 3.64Å; W692-L839 HydrophobicContact CZ2-CD1 4.33Å; W692-L839 HydrophobicContact CZ2-CD2 3.82Å; W692-L839 HydrophobicContact CZ2-CG 3.62Å; W692-L839 HydrophobicContact CZ3-CD1 3.62Å; W692-L839 HydrophobicContact CZ3-CG 3.75Å; M730-L839 HydrophobicContact CE-CD1 4.35Å; M730-L839 HydrophobicContact CE-CD2 3.66Å; I807-L839 HydrophobicContact CG2-CB 3.82Å; I807-L839 HydrophobicContact CG2-CD1 3.77Å; I807-L839 HydrophobicContact CG2-CD2 4.25Å; I807-L839 HydrophobicContact CG2-CG 4.17Å; L808-L839 WeakPolarHBondContact O-CA 3.28Å; L808-L839 WeakPolarHBondContact O-CD2 3.26Å; N809-L839 HydrophobicContact CB-CD2 3.75Å; L839-Q865 VanDerWaalsContact O-CA 3.25Å; L839-Q865 WeakPolarHBondContact O-CA 3.4Å; L839-G866 PolarHBondContact N-O 3.39Å; L839-G866 PolarHBondContact O-N 3.01Å; L839-G866 VanDerWaalsContact O-N 3.14Å; L839-I869 HydrophobicContact CB-CD1 3.62Å; L839-I869 HydrophobicContact CD1-CD1 3.77Å; L839-I869 HydrophobicContact CG-CD1 4.35Å; L839-I895 HydrophobicContact CD1-CB 4.34Å; L839-I895 HydrophobicContact CD1-CG2 3.53Å |
| 840 | E | 96.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 123.1 | 175.6 | -75.5 | 71.6 | -145.7 | 0 | 0 | 111.7 | I807 L808 M811 W820 P832 Q865 | I807-E840 CarbonylContact C-O 3.52Å; I807-E840 WeakPolarHBondContact CA-O 3.35Å; L808-E840 HydrophobicContact CB-CB 4.17Å; L808-E840 HydrophobicContact CD1-CB 4.44Å; L808-E840 PolarHBondContact N-O 3.37Å; L808-E840 PolarHBondContact O-N 3.02Å; M811-E840 HydrophobicContact CE-CB 4.03Å; M811-E840 HydrophobicContact CE-CG 3.69Å; M811-E840 WeakPolarHBondContact CE-OE2 3.33Å; W820-E840 HydrophobicContact CD2-CB 4.06Å; W820-E840 HydrophobicContact CD2-CG 3.66Å; W820-E840 HydrophobicContact CE3-CB 3.42Å; W820-E840 VanDerWaalsContact CE3-CB 3.42Å; W820-E840 HydrophobicContact CE3-CG 3.55Å; W820-E840 HydrophobicContact CG-CG 4.29Å; W820-E840 HydrophobicContact CH2-CB 4.21Å; W820-E840 HydrophobicContact CH2-CG 4.04Å; W820-E840 HydrophobicContact CZ2-CG 4.12Å; W820-E840 HydrophobicContact CZ3-CB 3.51Å; W820-E840 HydrophobicContact CZ3-CG 3.75Å; P832-E840 WeakPolarHBondContact CA-OE1 3.23Å; P832-E840 HydrophobicContact CB-CG 4.11Å; P832-E840 VanDerWaalsContact CB-OE1 3.29Å; P832-E840 WeakPolarHBondContact CB-OE1 3.28Å; P832-E840 HydrophobicContact CG-CG 3.94Å; E840-Q865 HydrophobicContact CG-CG 4Å; E840-Q865 PolarHBondContact OE1-NE2 3.4Å |
| 841 | V | 97.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 116.8 | 177.5 | -172.3 | 0 | 0 | 0 | 0 | 110.4 | L790 V792 L805 I807 I863 A864 I869 | L790-V841 HydrophobicContact CD2-CG1 3.92Å; V792-V841 HydrophobicContact CG2-CG2 4.4Å; L805-V841 HydrophobicContact CD1-CG1 3.66Å; L805-V841 HydrophobicContact CD2-CG1 3.89Å; L805-V841 HydrophobicContact CG-CG1 3.88Å; I807-V841 HydrophobicContact CG1-CG2 4.47Å; V841-I863 HydrophobicContact CB-CB 4.32Å; V841-I863 HydrophobicContact CG1-CB 4.08Å; V841-I863 HydrophobicContact CG1-CD1 4.44Å; V841-I863 HydrophobicContact CG1-CG2 4.18Å; V841-I863 WeakPolarHBondContact O-CB 3.5Å; V841-I863 PolarHBondContact O-N 2.76Å; V841-A864 HydrophobicContact CB-CB 4.2Å; V841-A864 HydrophobicContact CG2-CB 4.22Å; V841-A864 PolarHBondContact N-O 2.72Å; V841-I869 HydrophobicContact CG2-CD1 3.59Å; V841-I869 HydrophobicContact CG2-CG1 4.33Å |
| 842 | V | 96 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 128.7 | -175.3 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | L805 V806 L808 P819 W820 M853 L861 | L805-V842 CarbonylContact C-O 3.42Å; L805-V842 WeakPolarHBondContact CA-O 3.3Å; V806-V842 PolarHBondContact N-O 2.9Å; V806-V842 PolarHBondContact O-N 3.23Å; L808-V842 HydrophobicContact CD1-CG2 3.99Å; P819-V842 HydrophobicContact CB-CB 4.44Å; P819-V842 HydrophobicContact CB-CG1 3.95Å; P819-V842 HydrophobicContact CB-CG2 4.29Å; W820-V842 HydrophobicContact CE3-CG2 3.51Å; W820-V842 HydrophobicContact CZ3-CG2 3.96Å; V842-M853 HydrophobicContact CG1-CE 4.23Å; V842-L861 CarbonylContact C-O 3.55Å; V842-L861 VanDerWaalsContact CA-O 3.32Å; V842-L861 WeakPolarHBondContact CA-O 3.49Å |
| 843 | G | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 136.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L861 | G843-L861 PolarHBondContact N-O 3.23Å; G843-L861 PolarHBondContact O-N 3.44Å |
| 844 | V | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.4 | 171.7 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | L738 E803 G804 V806 L850 M853 | L738-V844 HydrophobicContact CD2-CG1 4.38Å; E803-V844 PolarHBondContact N-O 2.81Å; G804-V844 PolarHBondContact N-O 3.41Å; G804-V844 PolarHBondContact O-N 3.36Å; V806-V844 HydrophobicContact CG2-CG2 4.21Å; V844-L850 HydrophobicContact CG1-CB 3.97Å; V844-L850 HydrophobicContact CG1-CD1 3.85Å; V844-L850 HydrophobicContact CG2-CD1 4.16Å; V844-M853 HydrophobicContact CG2-CE 4.13Å; V844-M853 HydrophobicContact CG2-SD 4.13Å |
| 845 | T | 92.5 | Very high | 92.1 | Very high | 62 Ų | 62 | 33.9 Ų | 33.9 | 38% | 0.38 | 19% | 0.193 | S | C | . | . | trans | -89 | -10.7 | -175.4 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | L802 H849 L861 | L802-T845 HydrophobicContact CD2-CG2 4.1Å; T845-H849 PolarHBondContact N-ND1 2.97Å; T845-H849 WeakPolarHBondContact OG1-CB 3.43Å; T845-H849 PolarHBondContact OG1-ND1 3.29Å; T845-L861 HydrophobicContact CG2-CD1 3.63Å; T845-L861 HydrophobicContact CG2-CG 4.3Å | ||
| 846 | G | 90.3 | Very high | 91.9 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 6% | 0.062 | 20% | 0.199 | C | C | . | . | trans | 160.6 | 178.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E803 V848 H849 L850 | E803-G846 WeakPolarHBondContact OE2-CA 3.32Å; G846-V848 PolarHBondContact O-N 3.44Å; G846-H849 WeakPolarHBondContact O-CB 3.33Å; G846-H849 PolarHBondContact O-N 3.43Å; G846-H849 VanDerWaalsContact O-N 3.17Å; G846-L850 PolarHBondContact O-N 2.89Å | ||
| 847 | I | 88.8 | Confident | 91.7 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.2 | -32.3 | -170.4 | -166.9 | 63.8 | 0 | 0 | 0 | 114.9 | L738 V742 G771 M775 L850 G851 | L738-I847 HydrophobicContact CD1-CD1 4.46Å; L738-I847 HydrophobicContact CD2-CB 4.12Å; L738-I847 HydrophobicContact CD2-CD1 4.37Å; L738-I847 VanDerWaalsContact CD2-N 3.31Å; V742-I847 HydrophobicContact CG2-CD1 4.26Å; G771-I847 WeakPolarHBondContact O-CG1 3.35Å; M775-I847 HydrophobicContact CB-CG1 4.32Å; M775-I847 HydrophobicContact CB-CG2 3.54Å; M775-I847 HydrophobicContact CG-CG2 3.48Å; M775-I847 VanDerWaalsContact CG-CG2 3.48Å; M775-I847 HydrophobicContact SD-CG2 4.15Å; I847-L850 HydrophobicContact CD1-CD2 3.76Å; I847-L850 PolarHBondContact O-N 2.92Å; I847-G851 PolarHBondContact O-N 3.43Å |
| 848 | V | 90.1 | Very high | 91.6 | Very high | 81 Ų | 81 | 38.2 Ų | 38.2 | 49% | 0.491 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.4 | -43.5 | 176.1 | 176.8 | 0 | 0 | 0 | 0 | 109.3 | M775 G846 G851 Q852 | M775-V848 HydrophobicContact SD-CG2 4.1Å; G846-V848 PolarHBondContact O-N 3.44Å; V848-G851 PolarHBondContact O-N 2.96Å; V848-Q852 VanDerWaalsContact O-CG 3.31Å; V848-Q852 WeakPolarHBondContact O-CG 3.31Å; V848-Q852 PolarHBondContact O-N 3.42Å |
| 849 | H | 91.5 | Very high | 91.4 | Very high | 19 Ų | 19 | 38 Ų | 38 | 9% | 0.088 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.3 | -44.3 | 175.4 | -178 | -159.3 | 0 | 0 | 0 | 111.3 | T845 G846 G851 Q852 M853 S858 S859 | T845-H849 PolarHBondContact N-ND1 2.97Å; T845-H849 WeakPolarHBondContact OG1-CB 3.43Å; T845-H849 PolarHBondContact OG1-ND1 3.29Å; G846-H849 WeakPolarHBondContact O-CB 3.33Å; G846-H849 PolarHBondContact O-N 3.43Å; G846-H849 VanDerWaalsContact O-N 3.17Å; H849-G851 VanDerWaalsContact C-N 3.31Å; H849-G851 PolarHBondContact O-N 3.38Å; H849-Q852 PolarHBondContact O-N 3.29Å; H849-Q852 VanDerWaalsContact O-N 3.16Å; H849-M853 VanDerWaalsContact O-CG 3.27Å; H849-M853 WeakPolarHBondContact O-CG 3.49Å; H849-M853 PolarHBondContact O-N 3.4Å; H849-S858 PolarHBondContact NE2-OG 3.01Å; H849-S859 PolarHBondContact NE2-O 3.27Å |
| 850 | L | 89.2 | Confident | 91.1 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -54.3 | -46.7 | 173 | -169.3 | 78.9 | 0 | 0 | 0 | 111.6 | L738 D739 V742 W813 V844 G846 I847 M853 Q854 | L738-L850 HydrophobicContact CD2-CD2 4.49Å; D739-L850 HydrophobicContact CB-CD1 4.3Å; V742-L850 HydrophobicContact CG2-CD2 4.45Å; W813-L850 HydrophobicContact CH2-CD1 3.34Å; W813-L850 HydrophobicContact CH2-CG 3.89Å; W813-L850 HydrophobicContact CZ2-CD1 3.61Å; W813-L850 HydrophobicContact CZ2-CG 4.47Å; W813-L850 HydrophobicContact CZ3-CD1 4.44Å; V844-L850 HydrophobicContact CG1-CB 3.97Å; V844-L850 HydrophobicContact CG1-CD1 3.85Å; V844-L850 HydrophobicContact CG2-CD1 4.16Å; G846-L850 PolarHBondContact O-N 2.89Å; I847-L850 HydrophobicContact CD1-CD2 3.76Å; I847-L850 PolarHBondContact O-N 2.92Å; L850-M853 PolarHBondContact O-N 2.71Å; L850-Q854 PolarHBondContact O-N 2.94Å |
| 851 | G | 88.4 | Confident | 90.9 | Very high | 37 Ų | 37 | 41.5 Ų | 41.5 | 38% | 0.381 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I847 V848 H849 Q854 A855 | I847-G851 PolarHBondContact O-N 3.43Å; V848-G851 PolarHBondContact O-N 2.96Å; H849-G851 VanDerWaalsContact C-N 3.31Å; H849-G851 PolarHBondContact O-N 3.38Å; G851-Q854 PolarHBondContact O-N 3.06Å; G851-A855 VanDerWaalsContact O-CB 3.31Å; G851-A855 WeakPolarHBondContact O-CB 3.5Å; G851-A855 PolarHBondContact O-N 2.76Å |
| 852 | Q | 91.5 | Very high | 90.7 | Very high | 88 Ų | 88 | 44.2 Ų | 44.2 | 41% | 0.411 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 174.6 | -73.5 | 170.8 | -31 | 0 | 0 | 112 | V848 H849 A855 G856 F857 S858 | V848-Q852 VanDerWaalsContact O-CG 3.31Å; V848-Q852 WeakPolarHBondContact O-CG 3.31Å; V848-Q852 PolarHBondContact O-N 3.42Å; H849-Q852 PolarHBondContact O-N 3.29Å; H849-Q852 VanDerWaalsContact O-N 3.16Å; Q852-A855 PolarHBondContact O-N 3.43Å; Q852-G856 PolarHBondContact O-N 3.44Å; Q852-G856 VanDerWaalsContact O-N 3.07Å; Q852-F857 HydrophobicContact CB-CB 4.39Å; Q852-F857 PolarHBondContact O-N 2.96Å; Q852-S858 PolarHBondContact O-N 3.47Å |
| 853 | M | 88.1 | Confident | 90.7 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.7 | -49.1 | 173.5 | -69.2 | 165.5 | 62 | 0 | 0 | 111.1 | W813 A817 P819 V842 V844 H849 L850 A855 G856 S858 | W813-M853 HydrophobicContact CZ3-CB 4.46Å; A817-M853 WeakPolarHBondContact CB-O 3.4Å; P819-M853 HydrophobicContact CB-CE 3.6Å; P819-M853 HydrophobicContact CG-CE 4.34Å; V842-M853 HydrophobicContact CG1-CE 4.23Å; V844-M853 HydrophobicContact CG2-CE 4.13Å; V844-M853 HydrophobicContact CG2-SD 4.13Å; H849-M853 VanDerWaalsContact O-CG 3.27Å; H849-M853 WeakPolarHBondContact O-CG 3.49Å; H849-M853 PolarHBondContact O-N 3.4Å; L850-M853 PolarHBondContact O-N 2.71Å; M853-A855 VanDerWaalsContact C-N 3.27Å; M853-A855 PolarHBondContact O-N 3.06Å; M853-G856 PolarHBondContact O-N 3.14Å; M853-S858 WeakPolarHBondContact CA-O 3.41Å |
| 854 | Q | 86.8 | Confident | 90.7 | Very high | 94 Ų | 94 | 46.1 Ų | 46.1 | 44% | 0.439 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.9 | -34 | 179.2 | -166.1 | 174.3 | 13.3 | 0 | 0 | 112.6 | W813 G814 L850 G851 G856 | W813-Q854 HydrophobicContact CZ3-CB 4.25Å; G814-Q854 PolarHBondContact O-NE2 2.9Å; L850-Q854 PolarHBondContact O-N 2.94Å; G851-Q854 PolarHBondContact O-N 3.06Å; Q854-G856 VanDerWaalsContact C-N 3.31Å |
| 855 | A | 87.7 | Confident | 90.7 | Very high | 60 Ų | 60 | 47.4 Ų | 47.4 | 50% | 0.496 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -7.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | G851 Q852 M853 F857 | G851-A855 VanDerWaalsContact O-CB 3.31Å; G851-A855 WeakPolarHBondContact O-CB 3.5Å; G851-A855 PolarHBondContact O-N 2.76Å; Q852-A855 PolarHBondContact O-N 3.43Å; M853-A855 VanDerWaalsContact C-N 3.27Å; M853-A855 PolarHBondContact O-N 3.06Å; A855-F857 HydrophobicContact CB-CD2 3.56Å; A855-F857 HydrophobicContact CB-CE2 3.71Å; A855-F857 HydrophobicContact CB-CG 4.47Å |
| 856 | G | 86.4 | Confident | 90.9 | Very high | 61 Ų | 61 | 44.4 Ų | 44.4 | 63% | 0.629 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 14.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q852 M853 Q854 | Q852-G856 PolarHBondContact O-N 3.44Å; Q852-G856 VanDerWaalsContact O-N 3.07Å; M853-G856 PolarHBondContact O-N 3.14Å; Q854-G856 VanDerWaalsContact C-N 3.31Å |
| 857 | F | 89.7 | Confident | 91.2 | Very high | 173 Ų | 173 | 45.2 Ų | 45.2 | 76% | 0.759 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -88.2 | -16.9 | 176.2 | -61.6 | -52.6 | 0 | 0 | 0 | 113.7 | Q852 A855 | Q852-F857 HydrophobicContact CB-CB 4.39Å; Q852-F857 PolarHBondContact O-N 2.96Å; A855-F857 HydrophobicContact CB-CD2 3.56Å; A855-F857 HydrophobicContact CB-CE2 3.71Å; A855-F857 HydrophobicContact CB-CG 4.47Å |
| 858 | S | 90.2 | Very high | 91.6 | Very high | 47 Ų | 47 | 47.9 Ų | 47.9 | 33% | 0.329 | 28% | 0.282 | S | S | . | . | trans | -138 | 160 | 175.5 | -165.3 | 0 | 0 | 0 | 0 | 110.1 | H849 Q852 M853 | H849-S858 PolarHBondContact NE2-OG 3.01Å; Q852-S858 PolarHBondContact O-N 3.47Å; M853-S858 WeakPolarHBondContact CA-O 3.41Å | ||
| 859 | S | 91 | Very high | 92 | Very high | 41 Ų | 41 | 44 Ų | 44 | 29% | 0.287 | 26% | 0.259 | S | S | . | . | trans | -102.8 | 161.6 | 158.6 | 61.9 | 0 | 0 | 0 | 0 | 108.7 | P819 H849 | P819-S859 WeakPolarHBondContact O-CB 3.49Å; H849-S859 PolarHBondContact NE2-O 3.27Å | ||
| 860 | G | 91.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | trans | -71.7 | 174.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P819 R862 | P819-G860 PolarHBondContact O-N 3.46Å; G860-R862 PolarHBondContact O-N 2.96Å | ||
| 861 | L | 93.1 | Very high | 92.7 | Very high | 70 Ų | 70 | 45.8 Ų | 45.8 | 37% | 0.366 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 117.3 | 175.1 | -60.9 | -178.2 | 0 | 0 | 0 | 109 | P800 L802 V842 G843 T845 I863 | P800-L861 HydrophobicContact CG-CD1 3.95Å; L802-L861 HydrophobicContact CD2-CD1 3.99Å; V842-L861 CarbonylContact C-O 3.55Å; V842-L861 VanDerWaalsContact CA-O 3.32Å; V842-L861 WeakPolarHBondContact CA-O 3.49Å; G843-L861 PolarHBondContact N-O 3.23Å; G843-L861 PolarHBondContact O-N 3.44Å; T845-L861 HydrophobicContact CG2-CD1 3.63Å; T845-L861 HydrophobicContact CG2-CG 4.3Å; L861-I863 PolarHBondContact O-N 3.2Å |
| 862 | R | 93.3 | Very high | 93.1 | Very high | 57 Ų | 57 | 45.1 Ų | 45.1 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 111.8 | 173.1 | -61.4 | 178.2 | -174.6 | 176.8 | -3.5 | 108.5 | W820 P822 F829 G860 | W820-R862 HydrophobicContact CD2-CG 3.98Å; W820-R862 HydrophobicContact CE3-CB 4.49Å; W820-R862 HydrophobicContact CE3-CG 4.04Å; W820-R862 HydrophobicContact CH2-CB 4Å; W820-R862 HydrophobicContact CH2-CG 4.22Å; W820-R862 HydrophobicContact CZ2-CB 4.27Å; W820-R862 HydrophobicContact CZ2-CG 4.17Å; W820-R862 HydrophobicContact CZ3-CB 4.12Å; W820-R862 HydrophobicContact CZ3-CG 4.16Å; W820-R862 VanDerWaalsContact O-CZ 3.24Å; W820-R862 PolarHBondContact O-NE 3.04Å; W820-R862 PolarHBondContact O-NH2 2.8Å; P822-R862 PolarHBondContact O-NH2 2.96Å; F829-R862 HydrophobicContact CE2-CB 3.98Å; F829-R862 HydrophobicContact CZ-CB 4.38Å; G860-R862 PolarHBondContact O-N 2.96Å |
| 863 | I | 94.7 | Very high | 93.3 | Very high | 29 Ų | 29 | 40.9 Ų | 40.9 | 15% | 0.149 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -53.3 | -176 | -68.8 | 166.6 | 0 | 0 | 0 | 110.3 | L790 V797 L799 L802 L805 V841 L861 | L790-I863 HydrophobicContact CD2-CG2 3.88Å; V797-I863 HydrophobicContact CG1-CG2 3.64Å; L799-I863 HydrophobicContact CD2-CD1 4.03Å; L799-I863 HydrophobicContact CD2-CG2 4.23Å; L802-I863 HydrophobicContact CD1-CD1 3.81Å; L805-I863 HydrophobicContact CD1-CD1 3.38Å; V841-I863 HydrophobicContact CB-CB 4.32Å; V841-I863 HydrophobicContact CG1-CB 4.08Å; V841-I863 HydrophobicContact CG1-CD1 4.44Å; V841-I863 HydrophobicContact CG1-CG2 4.18Å; V841-I863 WeakPolarHBondContact O-CB 3.5Å; V841-I863 PolarHBondContact O-N 2.76Å; L861-I863 PolarHBondContact O-N 3.2Å |
| 864 | A | 95.4 | Very high | 93.6 | Very high | 11 Ų | 11 | 42.9 Ų | 42.9 | 9% | 0.091 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 163.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V792 W820 V841 | V792-A864 HydrophobicContact CB-CB 4.32Å; V792-A864 HydrophobicContact CG1-CB 4.24Å; V792-A864 HydrophobicContact CG2-CB 3.85Å; W820-A864 WeakPolarHBondContact CH2-O 3.31Å; V841-A864 HydrophobicContact CB-CB 4.2Å; V841-A864 HydrophobicContact CG2-CB 4.22Å; V841-A864 PolarHBondContact N-O 2.72Å |
| 865 | Q | 95.3 | Very high | 93.8 | Very high | 27 Ų | 27 | 40.6 Ų | 40.6 | 13% | 0.126 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 143.7 | 159 | -80.3 | 174.7 | -50.8 | 0 | 0 | 108.6 | W820 F829 S830 L839 E840 | W820-Q865 HydrophobicContact CH2-CG 3.72Å; W820-Q865 HydrophobicContact CZ2-CG 3.81Å; F829-Q865 VanDerWaalsContact CA-OE1 3.29Å; F829-Q865 VanDerWaalsContact CB-OE1 3.25Å; F829-Q865 HydrophobicContact CD1-CB 4.34Å; F829-Q865 HydrophobicContact CD1-CG 4.11Å; S830-Q865 PolarHBondContact O-NE2 3.28Å; S830-Q865 PolarHBondContact O-OE1 3.06Å; S830-Q865 PolarHBondContact OG-OE1 3.2Å; L839-Q865 VanDerWaalsContact O-CA 3.25Å; L839-Q865 WeakPolarHBondContact O-CA 3.4Å; E840-Q865 HydrophobicContact CG-CG 4Å; E840-Q865 PolarHBondContact OE1-NE2 3.4Å |
| 866 | G | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.2 | 164.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D793 L839 | D793-G866 WeakPolarHBondContact OD2-CA 3.29Å; L839-G866 PolarHBondContact N-O 3.39Å; L839-G866 PolarHBondContact O-N 3.01Å; L839-G866 VanDerWaalsContact O-N 3.14Å |
| 867 | G | 95.7 | Very high | 94.4 | Very high | 22 Ų | 22 | 39.1 Ų | 39.1 | 23% | 0.227 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -95.5 | -9.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | W692 D793 G837 | W692-G867 WeakPolarHBondContact CZ3-O 3.47Å; D793-G867 PolarHBondContact OD1-N 2.92Å; G837-G867 WeakPolarHBondContact O-CA 3.38Å |
| 868 | H | 97.8 | Very high | 94.7 | Very high | 73 Ų | 73 | 30.9 Ų | 30.9 | 34% | 0.338 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 115.5 | 174.8 | -174.8 | 85.4 | 0 | 0 | 0 | 109.6 | V792 D793 T894 I895 | V792-H868 WeakPolarHBondContact CA-O 3.49Å; D793-H868 PolarHBondContact N-O 3.37Å; D793-H868 PolarHBondContact OD1-N 3.47Å; H868-T894 WeakPolarHBondContact CE1-CG2 3.31Å; H868-I895 WeakPolarHBondContact CA-O 3.44Å |
| 869 | I | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 127.8 | 179.9 | -59.8 | 169.4 | 0 | 0 | 0 | 109.2 | L790 V792 I807 L839 V841 I871 T894 I895 | L790-I869 HydrophobicContact CD1-CG2 3.65Å; V792-I869 HydrophobicContact CG2-CG1 4.47Å; I807-I869 HydrophobicContact CB-CD1 4.48Å; I807-I869 HydrophobicContact CD1-CB 4.36Å; I807-I869 HydrophobicContact CD1-CD1 3.92Å; I807-I869 HydrophobicContact CD1-CG2 3.66Å; I807-I869 HydrophobicContact CG1-CD1 4.24Å; I807-I869 HydrophobicContact CG2-CD1 3.45Å; I807-I869 VanDerWaalsContact CG2-CD1 3.45Å; L839-I869 HydrophobicContact CB-CD1 3.62Å; L839-I869 HydrophobicContact CD1-CD1 3.77Å; L839-I869 HydrophobicContact CG-CD1 4.35Å; V841-I869 HydrophobicContact CG2-CD1 3.59Å; V841-I869 HydrophobicContact CG2-CG1 4.33Å; I869-I871 HydrophobicContact CG2-CD1 4.43Å; I869-I871 HydrophobicContact CG2-CG1 4.12Å; I869-T894 CarbonylContact O-C 3.58Å; I869-T894 WeakPolarHBondContact O-CA 3.39Å; I869-I895 HydrophobicContact CB-CB 4.29Å; I869-I895 PolarHBondContact N-O 3.3Å; I869-I895 PolarHBondContact O-N 2.88Å |
| 870 | K | 98.4 | Very high | 95.2 | Very high | 66 Ų | 66 | 27 Ų | 27 | 29% | 0.287 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 125.1 | 173.9 | -176.8 | -176.8 | 170.5 | -160.3 | 0 | 109.8 | E791 T892 F893 | E791-K870 HydrophobicContact CB-CB 4.26Å; E791-K870 PolarHBondContact N-O 2.82Å; E791-K870 PolarHBondContact O-N 2.92Å; E791-K870 WeakPolarHBondContact OE2-CD 3.47Å; E791-K870 IonicContact OE2-NZ 3.63Å; K870-T892 HydrophobicContact CD-CG2 4.2Å; K870-T892 HydrophobicContact CG-CG2 3.68Å; K870-F893 CarbonylContact C-O 3.58Å; K870-F893 VanDerWaalsContact CA-O 3.25Å; K870-F893 WeakPolarHBondContact CA-O 3.46Å |
| 871 | I | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 117.8 | 176.5 | -57.5 | 162.5 | 0 | 0 | 0 | 108.1 | F734 I736 M788 K789 L790 L805 I807 I869 T873 T892 F893 | F734-I871 HydrophobicContact CE1-CD1 3.94Å; I736-I871 HydrophobicContact CD1-CG2 4.38Å; I736-I871 HydrophobicContact CG2-CD1 4.48Å; M788-I871 HydrophobicContact CB-CG2 4.13Å; M788-I871 HydrophobicContact CG-CG2 4.45Å; M788-I871 HydrophobicContact SD-CG2 4.07Å; K789-I871 WeakPolarHBondContact O-CA 3.49Å; L790-I871 HydrophobicContact CD1-CG1 3.84Å; L805-I871 HydrophobicContact CD2-CD1 4.04Å; I807-I871 HydrophobicContact CD1-CD1 3.62Å; I869-I871 HydrophobicContact CG2-CD1 4.43Å; I869-I871 HydrophobicContact CG2-CG1 4.12Å; I871-T873 HydrophobicContact CG2-CG2 3.96Å; I871-T892 CarbonylContact O-C 3.59Å; I871-T892 WeakPolarHBondContact O-CA 3.48Å; I871-F893 HydrophobicContact CB-CB 4.29Å; I871-F893 HydrophobicContact CB-CD2 4.45Å; I871-F893 PolarHBondContact N-O 3.24Å; I871-F893 PolarHBondContact O-N 2.95Å |
| 872 | T | 97 | Very high | 95.5 | Very high | 22 Ų | 22 | 25.2 Ų | 25.2 | 14% | 0.135 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 122.4 | 172.4 | -60.9 | 0 | 0 | 0 | 0 | 108.9 | M788 K789 F874 T892 | M788-T872 CarbonylContact C-O 3.49Å; M788-T872 WeakPolarHBondContact CA-O 3.39Å; M788-T872 WeakPolarHBondContact CB-O 3.44Å; K789-T872 PolarHBondContact N-O 2.8Å; K789-T872 PolarHBondContact O-N 3.11Å; T872-F874 HydrophobicContact CG2-CD1 4.43Å; T872-F874 HydrophobicContact CG2-CE1 3.74Å; T872-F874 HydrophobicContact CG2-CZ 4.27Å; T872-T892 PolarHBondContact OG1-OG1 3.2Å; T872-T892 VanDerWaalsContact OG1-OG1 3.12Å |
| 873 | T | 95.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 142.2 | -179.1 | 65.9 | 0 | 0 | 0 | 0 | 110.3 | I736 K787 M788 I871 I877 A890 G891 F893 | I736-T873 HydrophobicContact CD1-CG2 3.8Å; K787-T873 WeakPolarHBondContact O-CA 3.12Å; M788-T873 HydrophobicContact CB-CG2 4.14Å; I871-T873 HydrophobicContact CG2-CG2 3.96Å; T873-I877 HydrophobicContact CG2-CG2 4.09Å; T873-A890 WeakPolarHBondContact O-CB 3.17Å; T873-G891 PolarHBondContact N-O 3.15Å; T873-G891 PolarHBondContact O-N 3.21Å; T873-G891 VanDerWaalsContact O-N 3.1Å; T873-G891 PolarHBondContact OG1-N 3.16Å; T873-G891 VanDerWaalsContact OG1-N 3.14Å; T873-G891 PolarHBondContact OG1-O 2.88Å; T873-F893 HydrophobicContact CG2-CD2 4.17Å; T873-F893 HydrophobicContact CG2-CE2 3.89Å |
| 874 | F | 93.4 | Very high | 95.2 | Very high | 44 Ų | 44 | 26.9 Ų | 26.9 | 19% | 0.193 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -106.9 | -0.8 | -176.5 | -49 | -59.5 | 0 | 0 | 0 | 113.3 | K787 K789 T872 | K787-F874 VanDerWaalsContact C-CD2 3.47Å; K787-F874 WeakPolarHBondContact O-CD2 3.47Å; K787-F874 PolarHBondContact O-N 3.34Å; K789-F874 HydrophobicContact CB-CZ 4.45Å; K789-F874 HydrophobicContact CD-CE2 4.49Å; K789-F874 HydrophobicContact CD-CZ 3.86Å; K789-F874 HydrophobicContact CG-CE2 4.01Å; K789-F874 HydrophobicContact CG-CZ 3.78Å; T872-F874 HydrophobicContact CG2-CD1 4.43Å; T872-F874 HydrophobicContact CG2-CE1 3.74Å; T872-F874 HydrophobicContact CG2-CZ 4.27Å |
| 875 | T | 91.8 | Very high | 95.2 | Very high | 46 Ų | 46 | 26.8 Ų | 26.8 | 28% | 0.282 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -142.6 | 159.4 | -179.7 | 62.8 | 0 | 0 | 0 | 0 | 110.1 | K787 I877 | K787-T875 HydrophobicContact CG-CG2 4.34Å; T875-I877 PolarHBondContact O-N 3.37Å |
| 876 | D | 92.2 | Very high | 95.1 | Very high | 84 Ų | 84 | 29.7 Ų | 29.7 | 45% | 0.449 | 16% | 0.159 | S | C | . | . | trans | -55.7 | 132.5 | 169.3 | -62.5 | 7 | 0 | 0 | 0 | 110.5 | R714 M887 L888 P889 | R714-D876 IonicContact NH2-OD1 3.4Å; D876-M887 HydrophobicContact CB-CE 4.39Å; D876-L888 CarbonylContact C-O 3.58Å; D876-L888 VanDerWaalsContact CA-O 3.3Å; D876-L888 WeakPolarHBondContact CA-O 3.36Å; D876-P889 WeakPolarHBondContact OD1-CA 3.33Å | ||
| 877 | I | 94.1 | Very high | 95 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 139.1 | -171.8 | -161.3 | 163.9 | 0 | 0 | 0 | 111.3 | I736 M788 T873 T875 I879 L888 | I736-I877 HydrophobicContact CD1-CD1 3.87Å; I736-I877 HydrophobicContact CD1-CG1 4.38Å; I736-I877 HydrophobicContact CD1-CG2 3.88Å; I736-I877 HydrophobicContact CG1-CD1 3.57Å; I736-I877 HydrophobicContact CG1-CG1 3.88Å; I736-I877 HydrophobicContact CG1-CG2 4.14Å; M788-I877 HydrophobicContact CE-CD1 3.4Å; M788-I877 VanDerWaalsContact CE-CD1 3.4Å; T873-I877 HydrophobicContact CG2-CG2 4.09Å; T875-I877 PolarHBondContact O-N 3.37Å; I877-I879 HydrophobicContact CG2-CG2 4.32Å; I877-L888 PolarHBondContact N-O 2.76Å; I877-L888 PolarHBondContact O-N 3.08Å; I877-L888 VanDerWaalsContact O-N 3.12Å |
| 878 | P | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 136.6 | 172.2 | 24.9 | -30 | 0 | 0 | 0 | 110.2 | G737 A740 D741 L780 Q886 M887 | G737-P878 PolarHBondContact N-O 3.05Å; A740-P878 VanDerWaalsContact CB-C 3.48Å; A740-P878 HydrophobicContact CB-CB 3.96Å; A740-P878 WeakPolarHBondContact CB-O 3.32Å; D741-P878 HydrophobicContact CB-CB 4.29Å; D741-P878 HydrophobicContact CB-CG 3.81Å; L780-P878 HydrophobicContact CD2-CG 4.13Å; P878-Q886 WeakPolarHBondContact CA-O 3.44Å; P878-M887 VanDerWaalsContact CA-SD 3.59Å; P878-M887 HydrophobicContact CB-SD 3.56Å; P878-M887 VanDerWaalsContact CB-SD 3.56Å; P878-M887 HydrophobicContact CG-SD 4.12Å |
| 879 | I | 96.7 | Very high | 94.7 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 163.5 | 170.5 | 63.4 | 97.8 | 0 | 0 | 0 | 110.1 | F734 G735 I736 A740 I877 V881 P885 Q886 L888 F893 | F734-I879 HydrophobicContact CE2-CB 3.98Å; F734-I879 HydrophobicContact CE2-CD1 4.39Å; F734-I879 HydrophobicContact CE2-CG2 4.16Å; F734-I879 HydrophobicContact CZ-CB 4.12Å; F734-I879 HydrophobicContact CZ-CG2 3.81Å; G735-I879 CarbonylContact O-C 3.59Å; G735-I879 WeakPolarHBondContact O-CA 3.27Å; I736-I879 HydrophobicContact CB-CG2 4Å; I736-I879 HydrophobicContact CD1-CG2 3.93Å; I736-I879 HydrophobicContact CG1-CG2 3.77Å; A740-I879 VanDerWaalsContact CB-CA 3.42Å; I877-I879 HydrophobicContact CG2-CG2 4.32Å; I879-V881 HydrophobicContact CD1-CG2 4.38Å; I879-P885 CarbonylContact O-C 3.54Å; I879-P885 VanDerWaalsContact O-CA 3.3Å; I879-P885 WeakPolarHBondContact O-CA 3.45Å; I879-Q886 HydrophobicContact CD1-CB 4.3Å; I879-Q886 PolarHBondContact N-O 3.01Å; I879-Q886 PolarHBondContact O-N 3.33Å; I879-Q886 VanDerWaalsContact O-O 3.11Å; I879-L888 HydrophobicContact CD1-CD1 3.96Å; I879-L888 HydrophobicContact CG1-CD1 3.69Å; I879-L888 HydrophobicContact CG1-CG 3.99Å; I879-F893 HydrophobicContact CG2-CE1 4.18Å; I879-F893 HydrophobicContact CG2-CE2 4.47Å; I879-F893 HydrophobicContact CG2-CZ 3.82Å |
| 880 | H | 95.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 148.6 | 161.3 | 80.5 | 72.8 | 0 | 0 | 0 | 110.2 | Y733 F734 G735 D739 A740 G883 E884 P885 | Y733-H880 AromaticContact CD2-CE1 3.49Å; Y733-H880 VanDerWaalsContact CD2-CE1 3.49Å; Y733-H880 WeakPolarHBondContact CD2-CE1 3.39Å; Y733-H880 AromaticContact CE2-CE1 3.38Å; Y733-H880 WeakPolarHBondContact CE2-CE1 3.28Å; F734-H880 WeakPolarHBondContact CA-O 3.44Å; G735-H880 PolarHBondContact N-O 2.71Å; G735-H880 PolarHBondContact O-N 2.89Å; D739-H880 IonicContact OD2-NE2 3.52Å; D739-H880 PolarHBondContact OD2-NE2 3.14Å; D739-H880 VanDerWaalsContact OD2-NE2 3.17Å; A740-H880 HydrophobicContact CB-CB 4.45Å; H880-G883 PolarHBondContact ND1-N 2.96Å; H880-G883 VanDerWaalsContact ND1-N 3.19Å; H880-E884 VanDerWaalsContact CA-O 3.26Å; H880-E884 WeakPolarHBondContact CA-O 3.38Å; H880-E884 WeakPolarHBondContact CB-O 3.45Å; H880-P885 HydrophobicContact CB-CB 3.97Å |
| 881 | V | 95.8 | Very high | 94.3 | Very high | 10 Ų | 10 | 29.5 Ų | 29.5 | 6% | 0.061 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 123.1 | 171.1 | -169 | 0 | 0 | 0 | 0 | 107.4 | V694 I728 M730 F734 I879 G883 E884 | V694-V881 HydrophobicContact CG2-CG1 4.5Å; I728-V881 HydrophobicContact CD1-CG2 4.34Å; I728-V881 HydrophobicContact CG2-CB 4.15Å; I728-V881 HydrophobicContact CG2-CG1 3.98Å; I728-V881 HydrophobicContact CG2-CG2 4.24Å; M730-V881 HydrophobicContact CB-CG1 3.56Å; M730-V881 HydrophobicContact CG-CG1 3.79Å; F734-V881 HydrophobicContact CD2-CG2 4.09Å; I879-V881 HydrophobicContact CD1-CG2 4.38Å; V881-G883 PolarHBondContact O-N 3.32Å; V881-E884 PolarHBondContact N-O 2.75Å; V881-E884 PolarHBondContact O-N 2.7Å |
| 882 | D | 95 | Very high | 94.3 | Very high | 27 Ų | 27 | 30.9 Ų | 30.9 | 14% | 0.144 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 28.7 | 179.3 | -66 | -9.7 | 0 | 0 | 0 | 114.7 | M730 N731 N732 Y733 | M730-D882 WeakPolarHBondContact CG-OD1 3.23Å; N731-D882 WeakPolarHBondContact CB-OD2 3.21Å; N731-D882 PolarHBondContact N-OD1 3Å; N731-D882 PolarHBondContact N-OD2 3.45Å; N731-D882 PolarHBondContact ND2-OD2 2.88Å; N732-D882 WeakPolarHBondContact CA-OD1 3.44Å; N732-D882 WeakPolarHBondContact CB-OD1 3.1Å; N732-D882 PolarHBondContact N-OD1 3.38Å; Y733-D882 PolarHBondContact N-OD1 3.17Å; Y733-D882 PolarHBondContact O-N 3.49Å |
| 883 | G | 90.2 | Very high | 94.3 | Very high | 22 Ų | 22 | 30 Ų | 30 | 23% | 0.227 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | 4.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | C743 H880 V881 P885 | C743-G883 PolarHBondContact SG-O 3.24Å; H880-G883 PolarHBondContact ND1-N 2.96Å; H880-G883 VanDerWaalsContact ND1-N 3.19Å; V881-G883 PolarHBondContact O-N 3.32Å; G883-P885 WeakPolarHBondContact O-CD 3.13Å |
| 884 | E | 91.5 | Very high | 94.4 | Very high | 98 Ų | 98 | 31.2 Ų | 31.2 | 46% | 0.458 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 106.9 | 173.4 | -69.1 | -60.4 | 143.3 | 0 | 0 | 110.5 | R750 H880 V881 | R750-E884 IonicContact NH2-OE1 2.81Å; R750-E884 IonicContact NH2-OE2 3.24Å; H880-E884 VanDerWaalsContact CA-O 3.26Å; H880-E884 WeakPolarHBondContact CA-O 3.38Å; H880-E884 WeakPolarHBondContact CB-O 3.45Å; V881-E884 PolarHBondContact N-O 2.75Å; V881-E884 PolarHBondContact O-N 2.7Å |
| 885 | P | 94.7 | Very high | 94.6 | Very high | 10 Ų | 10 | 29.1 Ų | 29.1 | 7% | 0.065 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 147.8 | -167.6 | 36 | -34.8 | 0 | 0 | 0 | 113.7 | C743 L744 D747 I879 H880 G883 | C743-P885 HydrophobicContact CB-CB 4.21Å; L744-P885 HydrophobicContact CB-CB 3.94Å; L744-P885 HydrophobicContact CB-CG 4.41Å; L744-P885 HydrophobicContact CD1-CB 4.1Å; L744-P885 HydrophobicContact CD1-CG 4.23Å; D747-P885 HydrophobicContact CB-CG 3.44Å; D747-P885 VanDerWaalsContact CB-CG 3.44Å; I879-P885 CarbonylContact O-C 3.54Å; I879-P885 VanDerWaalsContact O-CA 3.3Å; I879-P885 WeakPolarHBondContact O-CA 3.45Å; H880-P885 HydrophobicContact CB-CB 3.97Å; G883-P885 WeakPolarHBondContact O-CD 3.13Å |
| 886 | Q | 93.2 | Very high | 94.9 | Very high | 88 Ų | 88 | 28.7 Ų | 28.7 | 41% | 0.411 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 154 | 175.1 | -59.7 | -174 | 14.1 | 0 | 0 | 110.9 | P878 I879 L888 | P878-Q886 WeakPolarHBondContact CA-O 3.44Å; I879-Q886 HydrophobicContact CD1-CB 4.3Å; I879-Q886 PolarHBondContact N-O 3.01Å; I879-Q886 PolarHBondContact O-N 3.33Å; I879-Q886 VanDerWaalsContact O-O 3.11Å; Q886-L888 HydrophobicContact CB-CG 4.49Å |
| 887 | M | 94.2 | Very high | 95 | Very high | 80 Ų | 80 | 28.2 Ų | 28.2 | 39% | 0.394 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 122.2 | 163.8 | -75.6 | -63.8 | -52.6 | 0 | 0 | 107.3 | L744 L780 D876 P878 | L744-M887 HydrophobicContact CD2-CG 3.53Å; L744-M887 HydrophobicContact CD2-SD 3.73Å; L780-M887 HydrophobicContact CD2-CE 4.27Å; L780-M887 HydrophobicContact CD2-SD 4.37Å; D876-M887 HydrophobicContact CB-CE 4.39Å; P878-M887 VanDerWaalsContact CA-SD 3.59Å; P878-M887 HydrophobicContact CB-SD 3.56Å; P878-M887 VanDerWaalsContact CB-SD 3.56Å; P878-M887 HydrophobicContact CG-SD 4.12Å |
| 888 | L | 93.1 | Very high | 94.9 | Very high | 23 Ų | 23 | 28.6 Ų | 28.6 | 12% | 0.12 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 148.9 | 177 | -66.3 | -177.9 | 0 | 0 | 0 | 110.5 | F696 D876 I877 I879 Q886 F893 | F696-L888 HydrophobicContact CD1-CD1 3.88Å; F696-L888 HydrophobicContact CD1-CD2 4.4Å; F696-L888 HydrophobicContact CD2-CD1 4.23Å; F696-L888 HydrophobicContact CE1-CB 4.13Å; F696-L888 HydrophobicContact CE1-CD1 4.09Å; F696-L888 HydrophobicContact CE1-CD2 4.19Å; F696-L888 HydrophobicContact CE1-CG 4.38Å; F696-L888 HydrophobicContact CE2-CB 4.39Å; F696-L888 HydrophobicContact CE2-CD1 4.42Å; F696-L888 HydrophobicContact CG-CD1 3.94Å; F696-L888 HydrophobicContact CZ-CB 3.95Å; F696-L888 HydrophobicContact CZ-CD1 4.36Å; D876-L888 CarbonylContact C-O 3.58Å; D876-L888 VanDerWaalsContact CA-O 3.3Å; D876-L888 WeakPolarHBondContact CA-O 3.36Å; I877-L888 PolarHBondContact N-O 2.76Å; I877-L888 PolarHBondContact O-N 3.08Å; I877-L888 VanDerWaalsContact O-N 3.12Å; I879-L888 HydrophobicContact CD1-CD1 3.96Å; I879-L888 HydrophobicContact CG1-CD1 3.69Å; I879-L888 HydrophobicContact CG1-CG 3.99Å; Q886-L888 HydrophobicContact CB-CG 4.49Å; L888-F893 HydrophobicContact CB-CZ 4.3Å; L888-F893 HydrophobicContact CD1-CE1 3.59Å; L888-F893 HydrophobicContact CD1-CZ 3.77Å |
| 889 | P | 93.5 | Very high | 94.4 | Very high | 45 Ų | 45 | 33.7 Ų | 33.7 | 29% | 0.292 | 20% | 0.199 | S | C | . | . | trans | -68.6 | 175.2 | 175.3 | 30.4 | -34.8 | 0 | 0 | 0 | 111.7 | F696 D876 G891 | F696-P889 HydrophobicContact CE1-CG 4.27Å; F696-P889 HydrophobicContact CZ-CG 4.05Å; F696-P889 WeakPolarHBondContact CZ-O 3.1Å; D876-P889 WeakPolarHBondContact OD1-CA 3.33Å; P889-G891 PolarHBondContact O-N 3.46Å | ||
| 890 | A | 94.4 | Very high | 93.9 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 7% | 0.066 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -51.1 | 135.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111 | Q699 L704 T873 | Q699-A890 PolarHBondContact N-O 3.09Å; L704-A890 HydrophobicContact CD2-CB 4.17Å; T873-A890 WeakPolarHBondContact O-CB 3.17Å |
| 891 | G | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.5 | -174.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | H697 T873 P889 | H697-G891 CarbonylContact O-C 3.54Å; H697-G891 VanDerWaalsContact O-CA 3.23Å; H697-G891 WeakPolarHBondContact O-CA 3.33Å; T873-G891 PolarHBondContact N-O 3.15Å; T873-G891 PolarHBondContact O-N 3.21Å; T873-G891 VanDerWaalsContact O-N 3.1Å; T873-G891 PolarHBondContact OG1-N 3.16Å; T873-G891 VanDerWaalsContact OG1-N 3.14Å; T873-G891 PolarHBondContact OG1-O 2.88Å; P889-G891 PolarHBondContact O-N 3.46Å |
| 892 | T | 96.9 | Very high | 93.1 | Very high | 30 Ų | 30 | 43.9 Ų | 43.9 | 18% | 0.184 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.1 | 179.3 | -63.1 | 0 | 0 | 0 | 0 | 110.8 | H697 K870 I871 T872 | H697-T892 PolarHBondContact N-O 3.25Å; H697-T892 PolarHBondContact O-N 3.45Å; K870-T892 HydrophobicContact CD-CG2 4.2Å; K870-T892 HydrophobicContact CG-CG2 3.68Å; I871-T892 CarbonylContact O-C 3.59Å; I871-T892 WeakPolarHBondContact O-CA 3.48Å; T872-T892 PolarHBondContact OG1-OG1 3.2Å; T872-T892 VanDerWaalsContact OG1-OG1 3.12Å |
| 893 | F | 97.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.3 | 168.7 | -59.7 | -89.6 | 0 | 0 | 0 | 109.3 | V694 V695 F696 F734 I736 K870 I871 T873 I879 L888 | V694-F893 HydrophobicContact CG1-CD1 4.45Å; V695-F893 CarbonylContact O-C 3.52Å; V695-F893 WeakPolarHBondContact O-CA 3.33Å; F696-F893 HydrophobicContact CB-CD1 4.11Å; F696-F893 HydrophobicContact CB-CE1 4.06Å; F696-F893 AromaticContact CD2-CD1 3.72Å; F696-F893 HydrophobicContact CD2-CD1 3.72Å; F696-F893 HydrophobicContact CD2-CD2 4.2Å; F696-F893 AromaticContact CD2-CE1 3.35Å; F696-F893 HydrophobicContact CD2-CE1 3.35Å; F696-F893 AromaticContact CD2-CE2 3.87Å; F696-F893 HydrophobicContact CD2-CE2 3.87Å; F696-F893 HydrophobicContact CD2-CG 4.13Å; F696-F893 AromaticContact CD2-CZ 3.42Å; F696-F893 HydrophobicContact CD2-CZ 3.42Å; F696-F893 VanDerWaalsContact CD2-CZ 3.42Å; F696-F893 HydrophobicContact CE2-CE1 4.01Å; F696-F893 AromaticContact CE2-CE2 3.86Å; F696-F893 HydrophobicContact CE2-CE2 3.86Å; F696-F893 AromaticContact CE2-CZ 3.58Å; F696-F893 HydrophobicContact CE2-CZ 3.58Å; F696-F893 HydrophobicContact CG-CD1 4.3Å; F696-F893 AromaticContact CG-CE1 3.91Å; F696-F893 HydrophobicContact CG-CE1 3.91Å; F696-F893 HydrophobicContact CG-CZ 4.31Å; F734-F893 HydrophobicContact CE2-CD1 4.12Å; F734-F893 HydrophobicContact CE2-CE1 4.3Å; F734-F893 AromaticContact CZ-CD1 3.99Å; F734-F893 HydrophobicContact CZ-CD1 3.99Å; F734-F893 HydrophobicContact CZ-CE1 4.23Å; F734-F893 HydrophobicContact CZ-CG 4.24Å; I736-F893 HydrophobicContact CD1-CE2 4.23Å; K870-F893 CarbonylContact C-O 3.58Å; K870-F893 VanDerWaalsContact CA-O 3.25Å; K870-F893 WeakPolarHBondContact CA-O 3.46Å; I871-F893 HydrophobicContact CB-CB 4.29Å; I871-F893 HydrophobicContact CB-CD2 4.45Å; I871-F893 PolarHBondContact N-O 3.24Å; I871-F893 PolarHBondContact O-N 2.95Å; T873-F893 HydrophobicContact CG2-CD2 4.17Å; T873-F893 HydrophobicContact CG2-CE2 3.89Å; I879-F893 HydrophobicContact CG2-CE1 4.18Å; I879-F893 HydrophobicContact CG2-CE2 4.47Å; I879-F893 HydrophobicContact CG2-CZ 3.82Å; L888-F893 HydrophobicContact CB-CZ 4.3Å; L888-F893 HydrophobicContact CD1-CE1 3.59Å; L888-F893 HydrophobicContact CD1-CZ 3.77Å |
| 894 | T | 97.7 | Very high | 93.5 | Very high | 26 Ų | 26 | 43 Ų | 43 | 16% | 0.16 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 118.6 | 171.2 | -57.2 | 0 | 0 | 0 | 0 | 108.1 | V695 H868 I869 | V695-T894 PolarHBondContact N-O 2.91Å; V695-T894 PolarHBondContact O-N 3.04Å; H868-T894 WeakPolarHBondContact CE1-CG2 3.31Å; I869-T894 CarbonylContact O-C 3.58Å; I869-T894 WeakPolarHBondContact O-CA 3.39Å |
| 895 | I | 98.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 120.4 | 177.2 | -46.9 | -174.1 | 0 | 0 | 0 | 108 | W692 A693 V694 M730 F734 I807 L839 H868 I869 | W692-I895 HydrophobicContact CB-CG2 4.14Å; W692-I895 HydrophobicContact CE3-CG2 4.34Å; A693-I895 WeakPolarHBondContact O-CA 3.4Å; V694-I895 HydrophobicContact CG1-CG1 4.28Å; V694-I895 HydrophobicContact CG2-CD1 4.24Å; V694-I895 HydrophobicContact CG2-CG1 4.13Å; V694-I895 HydrophobicContact CG2-CG2 4.16Å; M730-I895 HydrophobicContact CE-CG2 4.45Å; F734-I895 HydrophobicContact CB-CD1 4.04Å; F734-I895 HydrophobicContact CD1-CD1 3.96Å; F734-I895 HydrophobicContact CD2-CD1 4.44Å; F734-I895 HydrophobicContact CG-CD1 3.9Å; I807-I895 HydrophobicContact CD1-CD1 3.58Å; I807-I895 HydrophobicContact CG2-CD1 4.33Å; L839-I895 HydrophobicContact CD1-CB 4.34Å; L839-I895 HydrophobicContact CD1-CG2 3.53Å; H868-I895 WeakPolarHBondContact CA-O 3.44Å; I869-I895 HydrophobicContact CB-CB 4.29Å; I869-I895 PolarHBondContact N-O 3.3Å; I869-I895 PolarHBondContact O-N 2.88Å |
| 896 | S | 96.6 | Very high | 94 | Very high | 37 Ų | 37 | 39.9 Ų | 39.9 | 26% | 0.259 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 158.2 | -179.4 | 59.2 | 0 | 0 | 0 | 0 | 110.8 | W692 A693 S898 | W692-S896 CarbonylContact C-O 3.57Å; W692-S896 WeakPolarHBondContact CA-O 3.38Å; A693-S896 PolarHBondContact N-O 3.33Å; A693-S896 PolarHBondContact O-N 3.03Å; A693-S896 VanDerWaalsContact O-N 3.08Å; S896-S898 PolarHBondContact O-N 3.03Å |
| 897 | K | 94.7 | Very high | 94.1 | Very high | 73 Ų | 73 | 38.2 Ų | 38.2 | 32% | 0.317 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 128.1 | -178.4 | -170.3 | 165.5 | -176.7 | 154.5 | 0 | 110.3 | D690 W692 | D690-K897 VanDerWaalsContact CG-CE 3.42Å; D690-K897 WeakPolarHBondContact OD1-CE 3.41Å; D690-K897 IonicContact OD1-NZ 2.78Å; D690-K897 PolarHBondContact OD1-NZ 3.1Å; D690-K897 WeakPolarHBondContact OD2-CE 3.42Å; D690-K897 IonicContact OD2-NZ 2.73Å; D690-K897 PolarHBondContact OD2-NZ 3.27Å; W692-K897 HydrophobicContact CE3-CB 4.2Å; W692-K897 VanDerWaalsContact CE3-N 3.33Å; W692-K897 HydrophobicContact CH2-CB 4.38Å; W692-K897 HydrophobicContact CZ3-CB 4Å |
| 898 | S | 91.9 | Very high | 94 | Very high | 14 Ų | 14 | 36.1 Ų | 36.1 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 150.9 | 174.7 | -174.3 | 0 | 0 | 0 | 0 | 110.3 | R691 S896 L900 | R691-S898 WeakPolarHBondContact O-CB 3.14Å; R691-S898 PolarHBondContact O-N 2.98Å; S896-S898 PolarHBondContact O-N 3.03Å; S898-L900 PolarHBondContact O-N 3.22Å; S898-L900 WeakPolarHBondContact OG-CB 3.06Å; S898-L900 PolarHBondContact OG-N 3.48Å; S898-L900 VanDerWaalsContact OG-N 3.12Å |
| 899 | A | 86.1 | Confident | 93.2 | Very high | 106 Ų | 106 | 43.1 Ų | 43.1 | 88% | 0.876 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | -21.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 900 | L | 85.3 | Confident | 91.8 | Very high | 63 Ų | 63 | 44.7 Ų | 44.7 | 33% | 0.33 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 131.9 | 178 | -55.8 | 168.3 | 0 | 0 | 0 | 110 | D634 I729 S898 | D634-L900 HydrophobicContact CB-CD1 4.11Å; D634-L900 HydrophobicContact CB-CD2 4.27Å; I729-L900 HydrophobicContact CD1-CD1 4.32Å; S898-L900 PolarHBondContact O-N 3.22Å; S898-L900 WeakPolarHBondContact OG-CB 3.06Å; S898-L900 PolarHBondContact OG-N 3.48Å; S898-L900 VanDerWaalsContact OG-N 3.12Å |
| 901 | R | 80.9 | Confident | 90 | Very high | 162 Ų | 162 | 54.4 Ų | 54.4 | 61% | 0.611 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 146.6 | 173.9 | -65.7 | -175.7 | 177.8 | -171.8 | -1.3 | 109.5 | ||
| 902 | A | 93.9 | Very high | 88 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 5% | 0.05 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 141 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L630 L689 R691 M904 | L630-A902 HydrophobicContact CD1-CB 4.12Å; L630-A902 HydrophobicContact CD2-CB 3.73Å; L689-A902 HydrophobicContact CB-CB 4.31Å; L689-A902 PolarHBondContact N-O 2.9Å; L689-A902 PolarHBondContact O-N 2.65Å; R691-A902 HydrophobicContact CG-CB 4.46Å; A902-M904 HydrophobicContact CB-SD 4.2Å |
| 903 | T | 97.1 | Very high | 85.8 | Confident | 29 Ų | 29 | 73.4 Ų | 73.4 | 18% | 0.178 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.8 | 167.1 | -52.2 | 0 | 0 | 0 | 0 | 107.9 | S644 P646 C647 E686 | S644-T903 PolarHBondContact OG-N 3.37Å; S644-T903 PolarHBondContact OG-OG1 2.96Å; P646-T903 WeakPolarHBondContact CA-O 3.25Å; P646-T903 HydrophobicContact CB-CG2 3.8Å; C647-T903 PolarHBondContact N-O 2.95Å; E686-T903 HydrophobicContact CB-CG2 4.14Å; E686-T903 HydrophobicContact CG-CG2 4.37Å |
| 904 | M | 98 | Very high | 83.5 | Confident | 2 Ų | 2 | 76.9 Ų | 76.9 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 155.7 | -178.6 | -57.1 | -57.5 | -66.7 | 0 | 0 | 110.2 | L630 C647 L649 L658 L662 E686 V687 L689 A902 | L630-M904 HydrophobicContact CD2-SD 4.33Å; C647-M904 HydrophobicContact CB-CE 3.97Å; C647-M904 HydrophobicContact CB-SD 3.88Å; C647-M904 CarbonylContact O-C 3.47Å; C647-M904 WeakPolarHBondContact O-CA 3.43Å; C647-M904 WeakPolarHBondContact O-CE 3.49Å; L649-M904 HydrophobicContact CD1-CE 4.25Å; L649-M904 HydrophobicContact CD2-CE 4.18Å; L649-M904 HydrophobicContact CG-CE 4.14Å; L658-M904 HydrophobicContact CD2-CE 4.12Å; L662-M904 HydrophobicContact CD1-CB 3.85Å; L662-M904 HydrophobicContact CD1-CE 3.67Å; L662-M904 HydrophobicContact CD1-CG 4.26Å; L662-M904 HydrophobicContact CD2-CB 3.96Å; E686-M904 CarbonylContact C-O 3.49Å; E686-M904 WeakPolarHBondContact CA-O 3.34Å; V687-M904 HydrophobicContact CG2-CB 4.06Å; V687-M904 PolarHBondContact N-O 2.84Å; V687-M904 PolarHBondContact O-N 2.88Å; L689-M904 HydrophobicContact CB-CG 3.66Å; L689-M904 HydrophobicContact CD2-CG 4.02Å; L689-M904 HydrophobicContact CD2-SD 4.26Å; L689-M904 HydrophobicContact CG-CG 4.48Å; A902-M904 HydrophobicContact CB-SD 4.2Å |
| 905 | L | 98.5 | Very high | 80.9 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 123.8 | 173.1 | -69.5 | 172.6 | 0 | 0 | 0 | 109.4 | K616 P646 C647 A648 W664 V681 A684 E685 E686 | K616-L905 HydrophobicContact CB-CD1 4.38Å; K616-L905 HydrophobicContact CD-CD1 4.06Å; P646-L905 HydrophobicContact CB-CD1 4.42Å; P646-L905 HydrophobicContact CB-CD2 3.83Å; P646-L905 HydrophobicContact CB-CG 3.89Å; P646-L905 HydrophobicContact CG-CD2 4.43Å; C647-L905 PolarHBondContact O-N 2.82Å; A648-L905 HydrophobicContact CB-CB 3.88Å; A648-L905 HydrophobicContact CB-CD1 3.85Å; A648-L905 HydrophobicContact CB-CG 4.45Å; W664-L905 HydrophobicContact CZ2-CB 4.4Å; W664-L905 PolarHBondContact NE1-O 3.44Å; V681-L905 HydrophobicContact CG1-CD1 4.14Å; A684-L905 HydrophobicContact CB-CB 3.87Å; A684-L905 HydrophobicContact CB-CD2 4.12Å; A684-L905 HydrophobicContact CB-CG 4.43Å; E685-L905 CarbonylContact O-C 3.57Å; E685-L905 WeakPolarHBondContact O-CA 3.47Å; E686-L905 HydrophobicContact CG-CD2 3.82Å |
| 906 | K | 97.3 | Very high | 78.4 | Confident | 43 Ų | 43 | 86.5 Ų | 86.5 | 19% | 0.187 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 123.9 | 175 | -175.7 | 177.3 | -174 | 175.9 | 0 | 109.4 | L662 A684 E685 V687 S908 | L662-K906 HydrophobicContact CD2-CB 4.28Å; L662-K906 WeakPolarHBondContact O-CA 3.49Å; A684-K906 WeakPolarHBondContact CA-O 3.2Å; A684-K906 WeakPolarHBondContact CB-O 3.39Å; E685-K906 PolarHBondContact N-O 3.21Å; E685-K906 PolarHBondContact O-N 3.23Å; V687-K906 HydrophobicContact CG1-CB 3.95Å; V687-K906 HydrophobicContact CG1-CD 3.97Å; V687-K906 HydrophobicContact CG2-CB 4.01Å; K906-S908 PolarHBondContact O-N 3.22Å |
| 907 | K | 95.4 | Very high | 75.9 | Confident | 53 Ų | 53 | 90.6 Ų | 90.6 | 23% | 0.23 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 128.2 | 179.9 | -175.5 | 173 | -179.8 | 162.5 | 0 | 110.8 | L662 R663 W664 D680 | L662-K907 PolarHBondContact O-N 3.45Å; R663-K907 HydrophobicContact CB-CB 4.11Å; R663-K907 WeakPolarHBondContact O-CD 3.4Å; W664-K907 HydrophobicContact CD2-CB 4.11Å; W664-K907 HydrophobicContact CE3-CB 4.33Å; W664-K907 HydrophobicContact CE3-CD 4.05Å; W664-K907 HydrophobicContact CH2-CB 4.4Å; W664-K907 HydrophobicContact CZ2-CB 4.2Å; W664-K907 HydrophobicContact CZ3-CB 4.47Å; W664-K907 HydrophobicContact CZ3-CD 4.19Å; W664-K907 HydrophobicContact CZ3-CG 4.48Å; D680-K907 HydrophobicContact CB-CD 4.43Å; D680-K907 HydrophobicContact CB-CG 4.45Å; D680-K907 WeakPolarHBondContact OD2-CE 3.48Å; D680-K907 IonicContact OD2-NZ 2.73Å; D680-K907 PolarHBondContact OD2-NZ 3.11Å |
| 908 | S | 91.2 | Very high | 73.6 | Confident | 36 Ų | 36 | 91.9 Ų | 91.9 | 25% | 0.252 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -65 | 150.6 | 179.3 | -169.1 | 0 | 0 | 0 | 0 | 111.8 | K906 S910 | K906-S908 PolarHBondContact O-N 3.22Å; S908-S910 PolarHBondContact OG-N 3.13Å |
| 909 | K | 78.3 | Confident | 71.6 | Confident | 169 Ų | 169 | 92.7 Ų | 92.7 | 74% | 0.735 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -75 | -29.4 | 173.2 | -71.2 | -174.4 | 178.6 | -179.9 | 0 | 112.3 | R663 | R663-K909 VanDerWaalsContact CZ-CE 3.46Å; R663-K909 VanDerWaalsContact NH2-CE 3.34Å |
| 910 | S | 63.1 | Low | 70 | Confident | 79 Ų | 79 | 93.2 Ų | 93.2 | 55% | 0.552 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -89 | 120.9 | -174 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | S908 R912 | S908-S910 PolarHBondContact OG-N 3.13Å; S910-R912 PolarHBondContact O-N 2.92Å; S910-R912 VanDerWaalsContact O-N 3.12Å |
| 911 | R | 57.4 | Low | 68.5 | Low | 211 Ų | 211 | 94.4 Ų | 94.4 | 80% | 0.796 | 46% | 0.459 | S | S | * | . | trans | -76.9 | 94 | 165.5 | -71.4 | -174.5 | 178.1 | -173.8 | -1.6 | 107.7 | R913 | R911-R913 PolarHBondContact O-N 3.48Š| ||
| 912 | R | 53 | Low | 67 | Low | 184 Ų | 184 | 89.1 Ų | 89.1 | 69% | 0.694 | 45% | 0.446 | S | S | * | . | trans | -60.8 | 122.8 | 162.6 | -78.1 | -176.5 | 174 | 177.8 | -0.6 | 107.3 | S910 Y914 | S910-R912 PolarHBondContact O-N 2.92Å; S910-R912 VanDerWaalsContact O-N 3.12Å; R912-Y914 PolarHBondContact O-N 3.08Å; R912-Y914 VanDerWaalsContact O-N 3.14Å | ||
| 913 | R | 50.6 | Low | 64.3 | Low | 246 Ų | 246 | 100.2 Ų | 100.2 | 93% | 0.928 | 49% | 0.487 | S | S | * | . | trans | -71.1 | 107.6 | 163.4 | -71 | -174.4 | -172.5 | 176.3 | 3.2 | 105.4 | R911 A915 | R911-R913 PolarHBondContact O-N 3.48Å; R913-A915 PolarHBondContact O-N 3.46Å | ||
| 914 | Y | 48.4 | Very low | 61.5 | Low | 75 Ų | 75 | 107 Ų | 107 | 29% | 0.294 | 51% | 0.509 | S | S | . | . | trans | -56.4 | 110.6 | 161.7 | -80.9 | -92.3 | 0 | 0 | 0 | 106.6 | K679 I682 D683 R912 D916 | K679-Y914 HydrophobicContact CB-CD2 4.39Å; K679-Y914 HydrophobicContact CB-CE2 3.98Å; K679-Y914 HydrophobicContact CD-CD2 4.07Å; K679-Y914 HydrophobicContact CD-CE2 4.45Å; K679-Y914 HydrophobicContact CG-CD2 4.25Å; K679-Y914 HydrophobicContact CG-CE2 4.14Å; I682-Y914 WeakPolarHBondContact CB-OH 3.16Å; I682-Y914 WeakPolarHBondContact CG2-OH 3.44Å; D683-Y914 PolarHBondContact OD1-OH 2.94Å; D683-Y914 WeakPolarHBondContact OD2-CE2 3.24Å; R912-Y914 PolarHBondContact O-N 3.08Å; R912-Y914 VanDerWaalsContact O-N 3.14Å; Y914-D916 PolarHBondContact O-N 3.22Å | ||
| 915 | A | 43.1 | Very low | 58.3 | Low | 81 Ų | 81 | 114 Ų | 114 | 67% | 0.669 | 55% | 0.547 | S | S | * | . | trans | -62 | 127.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 106 | R913 I917 | R913-A915 PolarHBondContact O-N 3.46Å; A915-I917 PolarHBondContact O-N 3.49Å | ||
| 916 | D | 46.4 | Very low | 54.9 | Low | 147 Ų | 147 | 118.3 Ų | 118.3 | 79% | 0.786 | 58% | 0.577 | S | S | * | * | trans | -54.3 | 107.5 | 165.6 | -68.8 | -38.6 | 0 | 0 | 0 | 106 | Y914 P918 | Y914-D916 PolarHBondContact O-N 3.22Å; D916-P918 WeakPolarHBondContact O-CD 3.37Å | ||
| 917 | I | 44.3 | Very low | 51.7 | Low | 124 Ų | 124 | 122.5 Ų | 122.5 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 120.8 | 176.2 | -61.9 | 172.4 | 0 | 0 | 0 | 105.3 | A915 | A915-I917 PolarHBondContact O-N 3.49Š|
| 918 | P | 44.9 | Very low | 48.5 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 65% | 0.649 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 134.9 | -177.7 | 18.9 | -28 | 0 | 0 | 0 | 108.6 | D916 V920 | D916-P918 WeakPolarHBondContact O-CD 3.37Å; P918-V920 PolarHBondContact O-N 3.04Å |
| 919 | P | 50.5 | Low | 45.4 | Very low | 30 Ų | 30 | 132.6 Ų | 132.6 | 20% | 0.195 | 66% | 0.657 | C | S | . | * | P | Polyproline II helix | trans | -60.4 | 138.1 | -176.9 | 25.7 | -34.3 | 0 | 0 | 0 | 109.5 | A178 M200 L921 | A178-P919 HydrophobicContact CB-CB 4.46Å; A178-P919 HydrophobicContact CB-CG 4.14Å; A178-P919 WeakPolarHBondContact O-CG 3.44Å; M200-P919 HydrophobicContact SD-CB 4.35Å; P919-L921 VanDerWaalsContact C-N 3.32Å; P919-L921 HydrophobicContact CG-CD2 4.25Å; P919-L921 PolarHBondContact O-N 3.07Å |
| 920 | V | 52.9 | Low | 43 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 71% | 0.709 | 66% | 0.662 | S | S | * | * | trans | -68.6 | 99.2 | 162.8 | -176.1 | 0 | 0 | 0 | 0 | 106.2 | S211 P918 | S211-V920 PolarHBondContact N-O 2.51Å; P918-V920 PolarHBondContact O-N 3.04Å | ||
| 921 | L | 54.3 | Low | 41.3 | Very low | 89 Ų | 89 | 131 Ų | 131 | 47% | 0.466 | 66% | 0.664 | S | S | . | * | B | Isolated β-bridge | trans | -69.6 | 138 | 174 | -65.8 | 174.2 | 0 | 0 | 0 | 108.6 | V179 P919 R923 | V179-L921 HydrophobicContact CG1-CD2 4.39Å; V179-L921 HydrophobicContact CG2-CD2 4.08Å; P919-L921 VanDerWaalsContact C-N 3.32Å; P919-L921 HydrophobicContact CG-CD2 4.25Å; P919-L921 PolarHBondContact O-N 3.07Å; L921-R923 PolarHBondContact O-N 2.84Å |
| 922 | S | 48.7 | Very low | 39.9 | Very low | 50 Ų | 50 | 128.9 Ų | 128.9 | 35% | 0.35 | 67% | 0.668 | S | S | . | * | trans | -57.3 | 123.9 | 170.1 | 55.3 | 0 | 0 | 0 | 0 | 109.1 | Q209 R924 | Q209-S922 PolarHBondContact O-N 3.23Å; Q209-S922 PolarHBondContact O-OG 3.45Å; S922-R924 PolarHBondContact O-N 3.48Å | ||
| 923 | R | 37.8 | Very low | 38.6 | Very low | 240 Ų | 240 | 127.5 Ų | 127.5 | 91% | 0.906 | 67% | 0.674 | S | S | * | * | trans | -66 | 105.1 | 165.4 | -79.1 | -174.4 | 179.1 | -176.8 | 0.4 | 106.5 | L921 D925 | L921-R923 PolarHBondContact O-N 2.84Å; R923-D925 PolarHBondContact O-N 3.26Å | ||
| 924 | R | 36.6 | Very low | 37.6 | Very low | 171 Ų | 171 | 121.9 Ų | 121.9 | 65% | 0.645 | 67% | 0.666 | S | S | * | * | trans | -79.5 | 103.4 | 163 | -76.1 | -176.8 | -179.4 | -173.7 | -2.1 | 106.6 | S922 S926 | S922-R924 PolarHBondContact O-N 3.48Å; R924-S926 VanDerWaalsContact C-N 3.28Å; R924-S926 PolarHBondContact O-N 2.94Å | ||
| 925 | D | 32.1 | Very low | 36.5 | Very low | 150 Ų | 150 | 126 Ų | 126 | 80% | 0.802 | 69% | 0.692 | S | S | * | * | trans | -61.1 | 103 | 154.5 | -69.9 | -31.8 | 0 | 0 | 0 | 106 | R923 | R923-D925 PolarHBondContact O-N 3.26Š| ||
| 926 | S | 27.5 | Very low | 36 | Very low | 90 Ų | 90 | 128.1 Ų | 128.1 | 63% | 0.629 | 70% | 0.699 | S | S | * | * | trans | -56.3 | 134.3 | 172.7 | 41.5 | 0 | 0 | 0 | 0 | 108.7 | R924 N928 | R924-S926 VanDerWaalsContact C-N 3.28Å; R924-S926 PolarHBondContact O-N 2.94Å; S926-N928 PolarHBondContact O-N 3.35Å | ||
| 927 | P | 29.6 | Very low | 35.4 | Very low | 131 Ų | 131 | 126 Ų | 126 | 85% | 0.851 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -66.2 | 5 | -174.6 | -18.7 | 30.5 | 0 | 0 | 0 | 115.8 | Q929 | P927-Q929 PolarHBondContact O-N 2.91Š|
| 928 | N | 28 | Very low | 34.7 | Very low | 143 Ų | 143 | 124 Ų | 124 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | trans | -103.1 | 73.3 | -177.1 | -81.6 | -1 | 0 | 0 | 0 | 111 | S926 | S926-N928 PolarHBondContact O-N 3.35Š| ||
| 929 | Q | 26.9 | Very low | 34.1 | Very low | 157 Ų | 157 | 122.7 Ų | 122.7 | 73% | 0.734 | 72% | 0.717 | S | S | * | * | trans | -174 | 94.5 | 142.1 | -104.1 | 166.2 | 27.1 | 0 | 0 | 107.8 | P927 N931 | P927-Q929 PolarHBondContact O-N 2.91Å; Q929-N931 PolarHBondContact O-N 2.84Å | ||
| 930 | A | 26.4 | Very low | 33.2 | Very low | 101 Ų | 101 | 128 Ų | 128 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | trans | -63.7 | 74.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | L932 | A930-L932 PolarHBondContact O-N 3.26Š| ||
| 931 | N | 27.9 | Very low | 32.2 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 60% | 0.604 | 76% | 0.76 | S | S | * | * | trans | -88.7 | 100 | 164.2 | -84.2 | -23.4 | 0 | 0 | 0 | 106.7 | Q929 L933 | Q929-N931 PolarHBondContact O-N 2.84Å; N931-L933 PolarHBondContact O-N 3.46Å | ||
| 932 | L | 27.5 | Very low | 31.1 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -47.3 | 86.2 | 159.4 | -75.8 | 146.2 | 0 | 0 | 0 | 109.4 | A930 V934 | A930-L932 PolarHBondContact O-N 3.26Å; L932-V934 PolarHBondContact O-N 2.92Å | ||
| 933 | L | 26.6 | Very low | 30.3 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | -88.4 | 90 | 168.2 | -84.9 | 163.1 | 0 | 0 | 0 | 107.4 | N931 L935 | N931-L933 PolarHBondContact O-N 3.46Å; L933-L935 PolarHBondContact O-N 2.66Å | ||
| 934 | V | 28.6 | Very low | 30.1 | Very low | 127 Ų | 127 | 135 Ų | 135 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 116.3 | 161.7 | 175.7 | 0 | 0 | 0 | 0 | 107.7 | L932 P936 | L932-V934 PolarHBondContact O-N 2.92Å; V934-P936 WeakPolarHBondContact O-CD 3.42Å |
| 935 | L | 26.8 | Very low | 30.1 | Very low | 161 Ų | 161 | 132.4 Ų | 132.4 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 120.8 | 175.2 | -69.4 | 164.9 | 0 | 0 | 0 | 109.2 | L933 A937 | L933-L935 PolarHBondContact O-N 2.66Å; L935-A937 PolarHBondContact O-N 2.8Å |
| 936 | P | 31.9 | Very low | 30.3 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -71 | 124.9 | 172 | -11.3 | 26.9 | 0 | 0 | 0 | 109.2 | V934 | V934-P936 WeakPolarHBondContact O-CD 3.42Š|
| 937 | A | 33.5 | Very low | 30.8 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 134 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L935 | L935-A937 PolarHBondContact O-N 2.8Š|
| 938 | G | 30.6 | Very low | 31.2 | Very low | 83 Ų | 83 | 139 Ų | 139 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | trans | 73 | 81.9 | 151.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 939 | G | 30.7 | Very low | 31.7 | Very low | 73 Ų | 73 | 141.4 Ų | 141.4 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | trans | -122 | 100.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | L941 | G939-L941 PolarHBondContact O-N 3.37Š| ||
| 940 | T | 32.9 | Very low | 32 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 87% | 0.865 | 85% | 0.848 | S | S | * | * | trans | -61.1 | 117.4 | 172.9 | 5.5 | 0 | 0 | 0 | 0 | 109.4 | Q942 | T940-Q942 PolarHBondContact O-N 2.96Š| ||
| 941 | L | 31.2 | Very low | 32.3 | Very low | 178 Ų | 178 | 147.8 Ų | 147.8 | 93% | 0.932 | 85% | 0.849 | S | S | * | * | trans | -63 | 102 | 170.6 | -82.8 | 149.2 | 0 | 0 | 0 | 108.9 | G939 | G939-L941 PolarHBondContact O-N 3.37Š| ||
| 942 | Q | 31 | Very low | 32.6 | Very low | 182 Ų | 182 | 149.6 Ų | 149.6 | 85% | 0.85 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 121.7 | 162.2 | -81.5 | 178.8 | -28.3 | 0 | 0 | 107.8 | T940 E944 | T940-Q942 PolarHBondContact O-N 2.96Å; Q942-E944 PolarHBondContact O-N 3.12Å |
| 943 | A | 32.3 | Very low | 32.8 | Very low | 100 Ų | 100 | 148.6 Ų | 148.6 | 83% | 0.826 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 118.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 944 | E | 34.3 | Very low | 33.2 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 85% | 0.85 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 144.8 | 167.3 | -72.5 | -165 | 157.3 | 0 | 0 | 110.1 | Q942 | Q942-E944 PolarHBondContact O-N 3.12Š|
| 945 | P | 35.8 | Very low | 33.5 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 77% | 0.766 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 147.2 | -170.2 | -5.9 | 25 | 0 | 0 | 0 | 112.3 | D947 | P945-D947 PolarHBondContact O-N 3.29Š|
| 946 | E | 37 | Very low | 33.9 | Very low | 195 Ų | 195 | 148.7 Ų | 148.7 | 91% | 0.911 | 87% | 0.872 | S | S | * | * | trans | -59.7 | 115.8 | 173.8 | -66.5 | 174.2 | 150.9 | 0 | 0 | 110.8 | D948 | E946-D948 PolarHBondContact O-N 3.13Š| ||
| 947 | D | 37.8 | Very low | 34.1 | Very low | 146 Ų | 146 | 150.4 Ų | 150.4 | 78% | 0.781 | 88% | 0.875 | S | S | * | * | trans | -77.8 | 106.4 | 170.1 | -90.3 | -31.9 | 0 | 0 | 0 | 109.7 | P945 F949 | P945-D947 PolarHBondContact O-N 3.29Å; D947-F949 PolarHBondContact O-N 3.07Å | ||
| 948 | D | 38 | Very low | 34.1 | Very low | 167 Ų | 167 | 154.1 Ų | 154.1 | 89% | 0.893 | 88% | 0.878 | S | S | * | * | trans | -60 | 105 | 164.3 | -89.4 | -35.8 | 0 | 0 | 0 | 110.3 | E946 | E946-D948 PolarHBondContact O-N 3.13Š| ||
| 949 | F | 38.7 | Very low | 34.4 | Very low | 195 Ų | 195 | 160 Ų | 160 | 86% | 0.855 | 88% | 0.88 | S | S | * | * | trans | -90.5 | 110.3 | 161.8 | -93.9 | -90 | 0 | 0 | 0 | 109.8 | D947 | D947-F949 PolarHBondContact O-N 3.07Š| ||
| 950 | L | 33.5 | Very low | 34.8 | Very low | 243 Ų | 243 | 167.9 Ų | 167.9 | 100% | 1.272 | 89% | 0.891 | S | S | * | * | trans | -45.1 | 0 | 159.1 | -97.3 | 152.4 | 0 | 0 | 0 | 113.7 |
Retrieved 950 of 950 residues in 505.6 ms
(Link to these results)