| 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 | 72.8 | Confident | 94.7 | Very high | 91 Ų | 91 | 32.9 Ų | 32.9 | 45% | 0.448 | 17% | 0.171 | S | C | . | . | 0 | 138.2 | 0 | -81.4 | -160.4 | -70.4 | 0 | 0 | 104.5 | G3 N96 E127 T199 H210 R212 | M1-G3 PolarHBondContact O-N 2.82Å; M1-N96 HydrophobicContact SD-CB 3.89Å; M1-E127 WeakPolarHBondContact CA-OE2 3.4Å; M1-E127 PolarHBondContact N-OE2 2.82Å; M1-T199 HydrophobicContact SD-CG2 4.39Å; M1-H210 PolarHBondContact N-CE1 3.02Å; M1-H210 PolarHBondContact N-NE2 2.84Å; M1-R212 HydrophobicContact CG-CB 4.35Å | |||
| 2 | C | 86.6 | Confident | 94.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -60.1 | 105.7 | -176.4 | 59.7 | 0 | 0 | 0 | 0 | 111.2 | W75 N96 F125 P214 | C2-W75 WeakPolarHBondContact O-CZ2 3.48Å; C2-N96 PolarHBondContact O-ND2 3.38Å; C2-N96 PolarHBondContact O-OD1 3.05Å; C2-N96 PolarHBondContact SG-ND2 3.27Å; C2-F125 HydrophobicContact CB-CB 4.48Å; C2-F125 HydrophobicContact CB-CD2 3.67Å; C2-F125 HydrophobicContact CB-CE2 4.22Å; C2-F125 HydrophobicContact CB-CG 4.28Å; C2-P214 HydrophobicContact CB-CG 3.94Å | ||
| 3 | G | 96.3 | Very high | 95 | Very high | 26 Ų | 26 | 36.3 Ų | 36.3 | 27% | 0.268 | 19% | 0.191 | S | C | . | . | trans | -118.1 | 12.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1 P46 | M1-G3 PolarHBondContact O-N 2.82Å; G3-P46 WeakPolarHBondContact O-CD 3.23Å | ||
| 4 | R | 98.6 | Very high | 95.2 | Very high | 32 Ų | 32 | 33.7 Ų | 33.7 | 12% | 0.121 | 18% | 0.177 | C | C | . | . | trans | -153 | 140.1 | 175.9 | -156.9 | 74.4 | 64.9 | 73.7 | 0.6 | 111.1 | N43 K44 Y126 W128 V256 N257 | R4-N43 WeakPolarHBondContact CD-OD1 3.37Å; R4-N43 WeakPolarHBondContact CG-OD1 3.39Å; R4-N43 PolarHBondContact NH1-ND2 3.11Å; R4-N43 PolarHBondContact NH1-OD1 2.98Å; R4-K44 WeakPolarHBondContact CA-O 3.44Å; R4-K44 WeakPolarHBondContact CD-O 3.46Å; R4-Y126 HydrophobicContact CB-CD2 3.79Å; R4-Y126 HydrophobicContact CB-CG 4.41Å; R4-Y126 HydrophobicContact CG-CD2 3.59Å; R4-Y126 HydrophobicContact CG-CE2 4.16Å; R4-Y126 HydrophobicContact CG-CG 4.47Å; R4-Y126 PolarHBondContact O-N 3.17Å; R4-W128 HydrophobicContact CB-CH2 3.79Å; R4-W128 HydrophobicContact CB-CZ3 3.99Å; R4-W128 HydrophobicContact CG-CH2 4.26Å; R4-V256 PolarHBondContact NH1-O 3.33Å; R4-N257 PolarHBondContact NH2-O 3.11Å | ||
| 5 | T | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 161.9 | 174.5 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | N43 K44 W75 A122 G124 F125 M176 | T5-N43 CarbonylContact O-C 3.6Å; T5-K44 PolarHBondContact N-O 3.31Å; T5-K44 WeakPolarHBondContact O-CB 3.37Å; T5-K44 PolarHBondContact O-N 3.34Å; T5-K44 WeakPolarHBondContact OG1-CB 3.43Å; T5-W75 HydrophobicContact CG2-CH2 3.88Å; T5-W75 HydrophobicContact CG2-CZ3 3.99Å; T5-A122 HydrophobicContact CG2-CB 4.23Å; T5-G124 WeakPolarHBondContact CA-O 3.43Å; T5-F125 HydrophobicContact CG2-CB 3.94Å; T5-M176 HydrophobicContact CG2-CE 4.13Å |
| 6 | S | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 137.6 | 160.4 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | Y42 A122 D123 G124 | S6-Y42 WeakPolarHBondContact CB-O 3.31Å; S6-Y42 WeakPolarHBondContact OG-CA 3.43Å; S6-A122 CarbonylContact O-C 3.55Å; S6-A122 WeakPolarHBondContact O-CA 3.27Å; S6-A122 WeakPolarHBondContact O-CB 3.45Å; S6-D123 WeakPolarHBondContact CB-OD2 3.35Å; S6-D123 PolarHBondContact O-N 2.95Å; S6-D123 PolarHBondContact OG-OD2 3.21Å; S6-G124 PolarHBondContact N-O 2.86Å |
| 7 | C | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 79.1 | 167.9 | -174 | 0 | 0 | 0 | 0 | 107.5 | P40 S41 K44 N50 P51 D123 | C7-P40 WeakPolarHBondContact O-CA 3.25Å; C7-S41 CarbonylContact C-O 3.59Å; C7-S41 VanDerWaalsContact C-O 3.31Å; C7-S41 PolarHBondContact N-O 2.98Å; C7-S41 PolarHBondContact O-N 3.26Å; C7-K44 HydrophobicContact CB-CG 4.19Å; C7-N50 WeakPolarHBondContact CB-OD1 3.43Å; C7-P51 VanDerWaalsContact SG-CG 3.56Å; C7-D123 VanDerWaalsContact CA-OD2 3.27Å; C7-D123 WeakPolarHBondContact CA-OD2 3.46Å; C7-D123 PolarHBondContact N-OD2 3.31Å |
| 8 | H | 98.4 | Very high | 95.8 | Very high | 23 Ų | 23 | 37.9 Ų | 37.9 | 11% | 0.106 | 20% | 0.197 | C | C | . | . | trans | -107.6 | -10.3 | -168.5 | 81.1 | -78.5 | 0 | 0 | 0 | 114.3 | P40 Y42 D123 W168 | H8-P40 WeakPolarHBondContact O-CB 3.33Å; H8-Y42 HydrophobicContact CB-CD1 3.94Å; H8-Y42 HydrophobicContact CB-CD2 4.12Å; H8-Y42 HydrophobicContact CB-CE1 3.93Å; H8-Y42 HydrophobicContact CB-CE2 4.09Å; H8-Y42 HydrophobicContact CB-CG 4.04Å; H8-Y42 AromaticContact CD2-CE1 3.39Å; H8-Y42 WeakPolarHBondContact CD2-CE1 3.18Å; H8-Y42 AromaticContact CD2-CZ 3.28Å; H8-Y42 PolarHBondContact CD2-OH 3.24Å; H8-Y42 AromaticContact CE1-CE1 3.78Å; H8-Y42 AromaticContact CG-CD1 3.75Å; H8-Y42 AromaticContact CG-CE1 3.34Å; H8-Y42 AromaticContact CG-CZ 3.58Å; H8-Y42 AromaticContact ND1-CD1 3.93Å; H8-Y42 AromaticContact ND1-CE1 3.6Å; H8-Y42 AromaticContact NE2-CE1 3.67Å; H8-Y42 AromaticContact NE2-CZ 3.85Å; H8-D123 IonicContact CE1-OD2 2.75Å; H8-D123 IonicContact CG-OD2 3.08Å; H8-D123 PolarHBondContact N-OD2 2.79Å; H8-D123 IonicContact ND1-OD1 3.11Å; H8-D123 IonicContact ND1-OD2 3.17Å; H8-D123 PolarHBondContact ND1-OD2 2.6Å; H8-W168 AromaticContact CE1-CD2 3.52Å; H8-W168 AromaticContact CE1-CE2 3.6Å; H8-W168 AromaticContact CE1-CE3 3.51Å; H8-W168 AromaticContact CE1-CH2 3.67Å; H8-W168 AromaticContact CE1-CZ2 3.69Å; H8-W168 AromaticContact CE1-CZ3 3.57Å; H8-W168 AromaticContact NE2-CD2 3.81Å; H8-W168 AromaticContact NE2-CE2 3.89Å | ||
| 9 | L | 97.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -57.9 | 139.6 | -177.1 | -65.4 | -178.3 | 0 | 0 | 0 | 111.6 | V13 L14 Y38 W168 L173 | L9-V13 HydrophobicContact CB-CB 4.43Å; L9-V13 HydrophobicContact CB-CG1 4.41Å; L9-V13 HydrophobicContact CD1-CG1 4.24Å; L9-V13 HydrophobicContact CD2-CG1 4.22Å; L9-L14 HydrophobicContact CB-CB 4.29Å; L9-Y38 PolarHBondContact O-OH 2.95Å; L9-W168 HydrophobicContact CD2-CB 3.84Å; L9-W168 HydrophobicContact CD2-CD2 4.31Å; L9-W168 HydrophobicContact CD2-CE3 3.96Å; L9-W168 HydrophobicContact CD2-CG 4.3Å; L9-L173 HydrophobicContact CD1-CD2 3.95Å |
| 10 | P | 97.4 | Very high | 96 | Very high | 79 Ų | 79 | 36.9 Ų | 36.9 | 51% | 0.513 | 20% | 0.198 | S | C | . | . | trans | -55.7 | 148.1 | 170.3 | -24.4 | 33.6 | 0 | 0 | 0 | 111.5 | D12 V13 L14 | P10-D12 VanDerWaalsContact C-N 3.27Å; P10-D12 PolarHBondContact O-N 3.36Å; P10-D12 VanDerWaalsContact O-N 3.11Å; P10-V13 HydrophobicContact CB-CG2 4.05Å; P10-V13 HydrophobicContact CG-CG2 4.11Å; P10-V13 WeakPolarHBondContact O-CA 3.47Å; P10-V13 WeakPolarHBondContact O-CB 3.35Å; P10-V13 PolarHBondContact O-N 2.75Å; P10-L14 PolarHBondContact O-N 3.16Å | ||
| 11 | R | 97.9 | Very high | 96.2 | Very high | 109 Ų | 109 | 40 Ų | 40 | 41% | 0.411 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -48 | -46.6 | -174.1 | -168.6 | -170.4 | 66.9 | -174 | 0.1 | 113.4 | L14 T15 W32 Y38 | R11-L14 PolarHBondContact O-N 2.85Å; R11-T15 WeakPolarHBondContact O-CB 3.25Å; R11-T15 PolarHBondContact O-N 3.32Å; R11-T15 PolarHBondContact O-OG1 2.72Å; R11-W32 HydrophobicContact CB-CZ2 4.42Å; R11-W32 HydrophobicContact CG-CD2 4.12Å; R11-W32 VanDerWaalsContact CG-CE2 3.47Å; R11-W32 HydrophobicContact CG-CH2 3.74Å; R11-W32 HydrophobicContact CG-CZ2 3.27Å; R11-W32 HydrophobicContact CG-CZ3 4.35Å; R11-Y38 HydrophobicContact CB-CD1 4.1Å; R11-Y38 HydrophobicContact CB-CE1 4.3Å; R11-Y38 HydrophobicContact CG-CD1 4.28Å |
| 12 | D | 96.6 | Very high | 97.3 | Very high | 88 Ų | 88 | 36 Ų | 36 | 47% | 0.471 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -73.1 | -31.8 | -175.8 | -59 | -12 | 0 | 0 | 0 | 111.9 | P10 R16 | P10-D12 VanDerWaalsContact C-N 3.27Å; P10-D12 PolarHBondContact O-N 3.36Å; P10-D12 VanDerWaalsContact O-N 3.11Å; D12-R16 WeakPolarHBondContact O-CG 3.3Å; D12-R16 PolarHBondContact O-N 3.07Å; D12-R16 VanDerWaalsContact O-N 3.12Å; D12-R16 PolarHBondContact O-NH1 2.98Å |
| 13 | V | 96.5 | Very high | 97.8 | Very high | 22 Ų | 22 | 41.3 Ų | 41.3 | 13% | 0.133 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.6 | -48 | 172.8 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | L9 P10 T15 R16 A17 | L9-V13 HydrophobicContact CB-CB 4.43Å; L9-V13 HydrophobicContact CB-CG1 4.41Å; L9-V13 HydrophobicContact CD1-CG1 4.24Å; L9-V13 HydrophobicContact CD2-CG1 4.22Å; P10-V13 HydrophobicContact CB-CG2 4.05Å; P10-V13 HydrophobicContact CG-CG2 4.11Å; P10-V13 WeakPolarHBondContact O-CA 3.47Å; P10-V13 WeakPolarHBondContact O-CB 3.35Å; P10-V13 PolarHBondContact O-N 2.75Å; V13-T15 VanDerWaalsContact C-N 3.26Å; V13-T15 PolarHBondContact O-N 3.4Å; V13-R16 PolarHBondContact O-N 2.82Å; V13-A17 PolarHBondContact O-N 2.94Å |
| 14 | L | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.8 | -41.3 | 175.7 | -176.1 | 75.8 | 0 | 0 | 0 | 111.7 | L9 P10 R11 A17 C18 W32 Y38 P51 I70 L173 | L9-L14 HydrophobicContact CB-CB 4.29Å; P10-L14 PolarHBondContact O-N 3.16Å; R11-L14 PolarHBondContact O-N 2.85Å; L14-A17 PolarHBondContact O-N 3.16Å; L14-C18 PolarHBondContact O-N 3.07Å; L14-C18 PolarHBondContact O-SG 3.11Å; L14-W32 HydrophobicContact CD2-CH2 3.88Å; L14-W32 HydrophobicContact CD2-CZ2 4Å; L14-Y38 HydrophobicContact CD2-CE1 4.22Å; L14-Y38 HydrophobicContact CD2-CE2 4.24Å; L14-P51 HydrophobicContact CD2-CB 3.88Å; L14-P51 HydrophobicContact CD2-CG 3.54Å; L14-I70 HydrophobicContact CD2-CD1 3.87Å; L14-I70 HydrophobicContact CG-CD1 4.3Å; L14-L173 HydrophobicContact CD1-CD1 3.59Å; L14-L173 HydrophobicContact CD1-CD2 3.9Å; L14-L173 HydrophobicContact CD1-CG 4.4Å |
| 15 | T | 98.4 | Very high | 97.8 | Very high | 15 Ų | 15 | 50.3 Ų | 50.3 | 9% | 0.092 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.6 | -45.9 | 178.7 | -53.7 | 0 | 0 | 0 | 0 | 111.4 | R11 V13 A17 C18 L29 W32 | R11-T15 WeakPolarHBondContact O-CB 3.25Å; R11-T15 PolarHBondContact O-N 3.32Å; R11-T15 PolarHBondContact O-OG1 2.72Å; V13-T15 VanDerWaalsContact C-N 3.26Å; V13-T15 PolarHBondContact O-N 3.4Å; T15-A17 VanDerWaalsContact C-N 3.35Å; T15-C18 CarbonylContact O-C 3.47Å; T15-C18 WeakPolarHBondContact O-CA 3.16Å; T15-C18 WeakPolarHBondContact O-CB 3.45Å; T15-C18 PolarHBondContact O-N 2.76Å; T15-L29 HydrophobicContact CG2-CB 4.08Å; T15-L29 HydrophobicContact CG2-CD1 4.36Å; T15-W32 PolarHBondContact OG1-NE1 3.09Å |
| 16 | R | 97.5 | Very high | 97.8 | Very high | 142 Ų | 142 | 55.4 Ų | 55.4 | 54% | 0.536 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64 | -39.1 | 176.5 | -71.8 | -170.8 | -58.8 | -89.2 | 8.2 | 112.4 | D12 V13 C18 A19 | D12-R16 WeakPolarHBondContact O-CG 3.3Å; D12-R16 PolarHBondContact O-N 3.07Å; D12-R16 VanDerWaalsContact O-N 3.12Å; D12-R16 PolarHBondContact O-NH1 2.98Å; V13-R16 PolarHBondContact O-N 2.82Å; R16-C18 PolarHBondContact O-N 2.83Å; R16-C18 VanDerWaalsContact O-N 3.15Å; R16-A19 WeakPolarHBondContact O-CB 3.38Å; R16-A19 PolarHBondContact O-N 2.92Å; R16-A19 VanDerWaalsContact O-N 3.08Å |
| 17 | A | 97.1 | Very high | 97.8 | Very high | 46 Ų | 46 | 61.4 Ų | 61.4 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -12.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | V13 L14 T15 L173 | V13-A17 PolarHBondContact O-N 2.94Å; L14-A17 PolarHBondContact O-N 3.16Å; T15-A17 VanDerWaalsContact C-N 3.35Å; A17-L173 HydrophobicContact CB-CD1 3.67Å; A17-L173 HydrophobicContact CB-CG 4.12Å |
| 18 | C | 98.3 | Very high | 97.8 | Very high | 8 Ų | 8 | 64.5 Ų | 64.5 | 5% | 0.054 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 16.2 | 175 | -64.1 | 0 | 0 | 0 | 0 | 113.2 | L14 T15 R16 P30 L121 | L14-C18 PolarHBondContact O-N 3.07Å; L14-C18 PolarHBondContact O-SG 3.11Å; T15-C18 CarbonylContact O-C 3.47Å; T15-C18 WeakPolarHBondContact O-CA 3.16Å; T15-C18 WeakPolarHBondContact O-CB 3.45Å; T15-C18 PolarHBondContact O-N 2.76Å; R16-C18 PolarHBondContact O-N 2.83Å; R16-C18 VanDerWaalsContact O-N 3.15Å; C18-P30 HydrophobicContact CB-CG 3.78Å; C18-P30 WeakPolarHBondContact O-CD 3.18Å; C18-L121 VanDerWaalsContact SG-CD1 3.52Å |
| 19 | A | 98.2 | Very high | 97.8 | Very high | 46 Ų | 46 | 67.9 Ų | 67.9 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | trans | -55.9 | 138.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | R16 R28 L29 | R16-A19 WeakPolarHBondContact O-CB 3.38Å; R16-A19 PolarHBondContact O-N 2.92Å; R16-A19 VanDerWaalsContact O-N 3.08Å; A19-R28 WeakPolarHBondContact CA-O 3.32Å; A19-L29 HydrophobicContact CB-CD2 3.79Å | ||
| 20 | Y | 98.6 | Very high | 97.8 | Very high | 8 Ų | 8 | 68 Ų | 68 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 169.9 | -172.9 | 74.4 | -76.2 | 0 | 0 | 0 | 112.5 | Q27 R28 P30 E67 R68 | Y20-Q27 CarbonylContact O-C 3.31Å; Y20-Q27 WeakPolarHBondContact O-CA 3.45Å; Y20-R28 HydrophobicContact CD1-CB 4.17Å; Y20-R28 WeakPolarHBondContact CD1-O 3.34Å; Y20-R28 HydrophobicContact CE1-CB 3.61Å; Y20-R28 HydrophobicContact CE2-CB 4.3Å; Y20-R28 PolarHBondContact N-O 3Å; Y20-R28 PolarHBondContact O-N 2.92Å; Y20-P30 HydrophobicContact CE1-CB 4.48Å; Y20-E67 WeakPolarHBondContact OH-CA 3.4Å; Y20-R68 HydrophobicContact CD1-CG 4.47Å; Y20-R68 HydrophobicContact CD2-CG 4Å; Y20-R68 VanDerWaalsContact CD2-NE 3.32Å; Y20-R68 HydrophobicContact CE1-CB 3.96Å; Y20-R68 HydrophobicContact CE1-CG 4.17Å; Y20-R68 HydrophobicContact CE2-CB 4.23Å; Y20-R68 HydrophobicContact CE2-CG 3.68Å; Y20-R68 HydrophobicContact CG-CG 4.41Å; Y20-R68 PolarHBondContact OH-N 3.03Å |
| 21 | Q | 98.6 | Very high | 97.9 | Very high | 102 Ų | 102 | 67.7 Ų | 67.7 | 48% | 0.477 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 134 | 168.5 | -67.9 | -178 | -53.2 | 0 | 0 | 110.5 | G25 Q26 Q27 | Q21-G25 PolarHBondContact NE2-O 3.25Å; Q21-Q26 WeakPolarHBondContact CA-O 3.45Å; Q21-Q27 VanDerWaalsContact CD-NE2 3.27Å; Q21-Q27 HydrophobicContact CG-CG 4.3Å; Q21-Q27 VanDerWaalsContact NE2-NE2 3.15Å |
| 22 | D | 97.6 | Very high | 97.9 | Very high | 7 Ų | 7 | 64.3 Ų | 64.3 | 4% | 0.037 | 31% | 0.311 | C | S | . | . | trans | -70.5 | 177.3 | 166.7 | 69.1 | 18.3 | 0 | 0 | 0 | 111.3 | R24 G25 Q26 R28 | D22-R24 PolarHBondContact O-N 2.85Å; D22-R24 WeakPolarHBondContact OD1-CA 3.06Å; D22-R24 WeakPolarHBondContact OD1-CB 3.41Å; D22-R24 PolarHBondContact OD1-N 3.3Å; D22-G25 PolarHBondContact O-N 2.64Å; D22-G25 PolarHBondContact OD1-N 3.32Å; D22-G25 VanDerWaalsContact OD1-N 3.17Å; D22-Q26 PolarHBondContact N-O 2.65Å; D22-Q26 VanDerWaalsContact N-O 3.1Å; D22-Q26 WeakPolarHBondContact OD1-CB 3.47Å; D22-Q26 PolarHBondContact OD1-N 3.29Å; D22-Q26 WeakPolarHBondContact OD2-CB 3.25Å; D22-R28 IonicContact OD2-CZ 2.74Å; D22-R28 VanDerWaalsContact OD2-CZ 3.28Å; D22-R28 IonicContact OD2-NE 3.84Å; D22-R28 PolarHBondContact OD2-NE 3.13Å; D22-R28 IonicContact OD2-NH2 2.58Å; D22-R28 PolarHBondContact OD2-NH2 2.74Å | ||
| 23 | R | 96.9 | Very high | 98 | Very high | 112 Ų | 112 | 64.1 Ų | 64.1 | 42% | 0.423 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -17.8 | -179.7 | 69.4 | 177.6 | 64.1 | -167.3 | -3.6 | 114.3 | D64 S65 S66 D228 E231 | R23-D64 WeakPolarHBondContact CD-OD2 3.26Å; R23-D64 WeakPolarHBondContact CG-OD2 3.49Å; R23-D64 IonicContact CZ-OD1 3.28Å; R23-D64 IonicContact NE-OD1 3.06Å; R23-D64 PolarHBondContact NE-OD1 3.33Å; R23-D64 IonicContact NE-OD2 3.8Å; R23-D64 IonicContact NH2-OD1 2.68Å; R23-S65 PolarHBondContact NH2-OG 3.28Å; R23-S66 WeakPolarHBondContact CG-OG 3.39Å; R23-S66 PolarHBondContact N-OG 3.06Å; R23-D228 IonicContact CZ-OD2 2.95Å; R23-D228 IonicContact NH2-OD1 3.28Å; R23-D228 IonicContact NH2-OD2 3.15Å; R23-D228 PolarHBondContact NH2-OD2 3.08Å; R23-E231 IonicContact CZ-OE1 3.85Å; R23-E231 VanDerWaalsContact NH1-CD 3.33Å; R23-E231 IonicContact NH1-OE1 2.89Å; R23-E231 PolarHBondContact NH1-OE1 3.26Å; R23-E231 IonicContact NH2-OE1 2.75Å |
| 24 | R | 97.5 | Very high | 98.1 | Very high | 212 Ų | 212 | 66.9 Ų | 66.9 | 80% | 0.8 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 0.6 | 177.6 | -56.9 | -176.6 | -177.9 | -165.7 | -0.3 | 112.2 | D22 Q26 | D22-R24 PolarHBondContact O-N 2.85Å; D22-R24 WeakPolarHBondContact OD1-CA 3.06Å; D22-R24 WeakPolarHBondContact OD1-CB 3.41Å; D22-R24 PolarHBondContact OD1-N 3.3Å; R24-Q26 VanDerWaalsContact C-N 3.34Å |
| 25 | G | 97.2 | Very high | 98.1 | Very high | 36 Ų | 36 | 68.8 Ų | 68.8 | 37% | 0.371 | 33% | 0.33 | S | S | . | . | trans | 82.8 | 7.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q21 D22 Q27 | Q21-G25 PolarHBondContact NE2-O 3.25Å; D22-G25 PolarHBondContact O-N 2.64Å; D22-G25 PolarHBondContact OD1-N 3.32Å; D22-G25 VanDerWaalsContact OD1-N 3.17Å; G25-Q27 PolarHBondContact O-N 3.13Å | ||
| 26 | Q | 98.2 | Very high | 98.1 | Very high | 106 Ų | 106 | 75.5 Ų | 75.5 | 50% | 0.495 | 37% | 0.365 | S | S | . | . | trans | -75.2 | 126.4 | -179.4 | -175.4 | 178.8 | -9.7 | 0 | 0 | 110.2 | Q21 D22 R24 R28 | Q21-Q26 WeakPolarHBondContact CA-O 3.45Å; D22-Q26 PolarHBondContact N-O 2.65Å; D22-Q26 VanDerWaalsContact N-O 3.1Å; D22-Q26 WeakPolarHBondContact OD1-CB 3.47Å; D22-Q26 PolarHBondContact OD1-N 3.29Å; D22-Q26 WeakPolarHBondContact OD2-CB 3.25Å; R24-Q26 VanDerWaalsContact C-N 3.34Å; Q26-R28 HydrophobicContact CG-CG 4.41Å | ||
| 27 | Q | 98.5 | Very high | 98.1 | Very high | 127 Ų | 127 | 72.6 Ų | 72.6 | 59% | 0.593 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 130 | 175.6 | -70.8 | -69.9 | -18 | 0 | 0 | 110.9 | Y20 Q21 G25 | Y20-Q27 CarbonylContact O-C 3.31Å; Y20-Q27 WeakPolarHBondContact O-CA 3.45Å; Q21-Q27 VanDerWaalsContact CD-NE2 3.27Å; Q21-Q27 HydrophobicContact CG-CG 4.3Å; Q21-Q27 VanDerWaalsContact NE2-NE2 3.15Å; G25-Q27 PolarHBondContact O-N 3.13Å |
| 28 | R | 98.6 | Very high | 98.2 | Very high | 65 Ų | 65 | 71.4 Ų | 71.4 | 25% | 0.245 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 159.6 | -174.3 | -68.7 | -179.8 | -178.1 | -113.3 | 16.8 | 111.9 | A19 Y20 D22 Q26 E67 | A19-R28 WeakPolarHBondContact CA-O 3.32Å; Y20-R28 HydrophobicContact CD1-CB 4.17Å; Y20-R28 WeakPolarHBondContact CD1-O 3.34Å; Y20-R28 HydrophobicContact CE1-CB 3.61Å; Y20-R28 HydrophobicContact CE2-CB 4.3Å; Y20-R28 PolarHBondContact N-O 3Å; Y20-R28 PolarHBondContact O-N 2.92Å; D22-R28 IonicContact OD2-CZ 2.74Å; D22-R28 VanDerWaalsContact OD2-CZ 3.28Å; D22-R28 IonicContact OD2-NE 3.84Å; D22-R28 PolarHBondContact OD2-NE 3.13Å; D22-R28 IonicContact OD2-NH2 2.58Å; D22-R28 PolarHBondContact OD2-NH2 2.74Å; Q26-R28 HydrophobicContact CG-CG 4.41Å; R28-E67 VanDerWaalsContact CZ-CD 3.48Å; R28-E67 IonicContact CZ-OE1 3.18Å; R28-E67 IonicContact CZ-OE2 2.7Å; R28-E67 IonicContact NH1-OE1 2.79Å; R28-E67 PolarHBondContact NH1-OE1 3Å; R28-E67 VanDerWaalsContact NH1-OE1 3.08Å; R28-E67 IonicContact NH1-OE2 3.69Å; R28-E67 PolarHBondContact NH1-OE2 2.83Å; R28-E67 VanDerWaalsContact NH1-OE2 3.17Å; R28-E67 IonicContact NH2-OE1 2.74Å; R28-E67 PolarHBondContact NH2-OE1 2.58Å |
| 29 | L | 98.6 | Very high | 98.1 | Very high | 94 Ų | 94 | 74.8 Ų | 74.8 | 49% | 0.492 | 37% | 0.365 | S | S | . | . | trans | -110.1 | 145 | 163.2 | -63.8 | 178 | 0 | 0 | 0 | 108.4 | T15 A19 | T15-L29 HydrophobicContact CG2-CB 4.08Å; T15-L29 HydrophobicContact CG2-CD1 4.36Å; A19-L29 HydrophobicContact CB-CD2 3.79Å | ||
| 30 | P | 98.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 75 Ų | 75 | 3% | 0.032 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 139 | 177.7 | 29.1 | -34.8 | 0 | 0 | 0 | 110.6 | C18 Y20 L53 R68 I70 | C18-P30 HydrophobicContact CB-CG 3.78Å; C18-P30 WeakPolarHBondContact O-CD 3.18Å; Y20-P30 HydrophobicContact CE1-CB 4.48Å; P30-L53 HydrophobicContact CB-CD2 4.1Å; P30-L53 HydrophobicContact CG-CD2 4.17Å; P30-R68 WeakPolarHBondContact CA-O 3.29Å; P30-R68 HydrophobicContact CB-CB 4.21Å; P30-I70 HydrophobicContact CB-CB 4.07Å; P30-I70 HydrophobicContact CB-CG2 3.95Å; P30-I70 HydrophobicContact CG-CB 4.19Å; P30-I70 HydrophobicContact CG-CG2 3.98Å |
| 31 | E | 98.5 | Very high | 98.1 | Very high | 72 Ų | 72 | 75.2 Ų | 75.2 | 34% | 0.336 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 139.1 | 174.7 | -179.4 | -168.7 | 123.7 | 0 | 0 | 110 | R33 R56 R68 I69 I70 | E31-R33 IonicContact OE1-CZ 3.72Å; E31-R33 IonicContact OE1-NE 3.31Å; E31-R33 PolarHBondContact OE1-NE 3.45Å; E31-R33 IonicContact OE1-NH2 2.57Å; E31-R33 PolarHBondContact OE1-NH2 3.37Å; E31-R33 VanDerWaalsContact OE1-NH2 3.11Å; E31-R56 IonicContact OE2-CZ 3.44Å; E31-R56 IonicContact OE2-NH1 3.64Å; E31-R56 PolarHBondContact OE2-NH1 3.02Å; E31-R56 IonicContact OE2-NH2 2.87Å; E31-R56 PolarHBondContact OE2-NH2 3.01Å; E31-R56 VanDerWaalsContact OE2-NH2 3.11Å; E31-R68 PolarHBondContact N-O 3.24Å; E31-I69 HydrophobicContact CB-CD1 3.78Å; E31-I69 HydrophobicContact CG-CD1 4.33Å; E31-I69 CarbonylContact O-C 3.52Å; E31-I69 WeakPolarHBondContact O-CA 3.4Å; E31-I70 WeakPolarHBondContact O-CG2 3.42Å; E31-I70 PolarHBondContact O-N 3.45Å |
| 32 | W | 98.8 | Very high | 98.1 | Very high | 38 Ų | 38 | 72.4 Ų | 72.4 | 14% | 0.144 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 138.3 | 178.2 | -79.4 | 80.1 | 0 | 0 | 0 | 112.7 | R11 L14 T15 P35 Y38 P51 I70 P72 | R11-W32 HydrophobicContact CB-CZ2 4.42Å; R11-W32 HydrophobicContact CG-CD2 4.12Å; R11-W32 VanDerWaalsContact CG-CE2 3.47Å; R11-W32 HydrophobicContact CG-CH2 3.74Å; R11-W32 HydrophobicContact CG-CZ2 3.27Å; R11-W32 HydrophobicContact CG-CZ3 4.35Å; L14-W32 HydrophobicContact CD2-CH2 3.88Å; L14-W32 HydrophobicContact CD2-CZ2 4Å; T15-W32 PolarHBondContact OG1-NE1 3.09Å; W32-P35 HydrophobicContact CB-CB 4.1Å; W32-P35 HydrophobicContact CB-CG 4.46Å; W32-P35 HydrophobicContact CD2-CB 4.25Å; W32-P35 HydrophobicContact CE3-CB 3.93Å; W32-P35 HydrophobicContact CG-CB 4.36Å; W32-Y38 AromaticContact CH2-CD1 3.94Å; W32-Y38 HydrophobicContact CH2-CD1 3.94Å; W32-Y38 HydrophobicContact CH2-CD2 4.42Å; W32-Y38 HydrophobicContact CH2-CE1 4.45Å; W32-Y38 AromaticContact CH2-CG 3.92Å; W32-Y38 HydrophobicContact CH2-CG 3.92Å; W32-Y38 HydrophobicContact CZ3-CD1 4.45Å; W32-Y38 HydrophobicContact CZ3-CG 4.1Å; W32-P51 HydrophobicContact CH2-CB 4.33Å; W32-I70 CarbonylContact C-O 3.49Å; W32-I70 WeakPolarHBondContact CA-O 3.36Å; W32-I70 HydrophobicContact CB-CG2 4.29Å; W32-I70 HydrophobicContact CD2-CG1 4.45Å; W32-I70 HydrophobicContact CD2-CG2 3.51Å; W32-I70 VanDerWaalsContact CE2-CG2 3.49Å; W32-I70 HydrophobicContact CE3-CG1 4.41Å; W32-I70 HydrophobicContact CE3-CG2 4.15Å; W32-I70 HydrophobicContact CG-CG2 3.56Å; W32-I70 HydrophobicContact CH2-CD1 3.83Å; W32-I70 HydrophobicContact CH2-CG1 4.05Å; W32-I70 HydrophobicContact CZ2-CD1 3.55Å; W32-I70 HydrophobicContact CZ2-CG1 4.04Å; W32-I70 HydrophobicContact CZ2-CG2 4.15Å; W32-I70 HydrophobicContact CZ3-CD1 4.49Å; W32-I70 HydrophobicContact CZ3-CG1 4.22Å; W32-P72 HydrophobicContact CZ3-CG 4.04Å |
| 33 | R | 98.5 | Very high | 98.2 | Very high | 83 Ų | 83 | 72.2 Ų | 72.2 | 31% | 0.313 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -119.1 | 138.8 | 161.2 | -64.9 | -63.5 | 177.3 | 123.5 | 1.4 | 109.8 | E31 F59 E60 I69 I70 A71 P72 | E31-R33 IonicContact OE1-CZ 3.72Å; E31-R33 IonicContact OE1-NE 3.31Å; E31-R33 PolarHBondContact OE1-NE 3.45Å; E31-R33 IonicContact OE1-NH2 2.57Å; E31-R33 PolarHBondContact OE1-NH2 3.37Å; E31-R33 VanDerWaalsContact OE1-NH2 3.11Å; R33-F59 HydrophobicContact CB-CZ 4.48Å; R33-F59 HydrophobicContact CG-CE1 4.35Å; R33-F59 HydrophobicContact CG-CZ 4.3Å; R33-E60 IonicContact NH2-OE1 2.76Å; R33-E60 PolarHBondContact NH2-OE1 2.83Å; R33-I69 HydrophobicContact CB-CG2 4.08Å; R33-I69 HydrophobicContact CG-CG2 3.64Å; R33-I70 PolarHBondContact N-O 3.33Å; R33-A71 HydrophobicContact CB-CB 4.25Å; R33-P72 WeakPolarHBondContact O-CD 3.46Å |
| 34 | D | 97.6 | Very high | 98.3 | Very high | 81 Ų | 81 | 67.3 Ų | 67.3 | 43% | 0.433 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 45.9 | 51.2 | -172.5 | -62.3 | -17 | 0 | 0 | 0 | 114.5 | D36 K37 P72 | D34-D36 PolarHBondContact O-N 2.86Å; D34-D36 VanDerWaalsContact O-N 3.1Å; D34-K37 HydrophobicContact CB-CB 4.47Å; D34-K37 HydrophobicContact CB-CD 3.82Å; D34-K37 HydrophobicContact CB-CG 4.17Å; D34-K37 WeakPolarHBondContact O-CB 3.2Å; D34-K37 PolarHBondContact O-N 3.13Å; D34-K37 IonicContact OD2-NZ 3.92Å; D34-K37 PolarHBondContact OD2-NZ 3.12Å; D34-P72 WeakPolarHBondContact O-CD 3.48Å; D34-P72 WeakPolarHBondContact O-CG 3.11Å |
| 35 | P | 98.1 | Very high | 98.3 | Very high | 39 Ų | 39 | 58.9 Ų | 58.9 | 25% | 0.253 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -58.9 | -28.3 | -175.3 | 25.4 | -34.7 | 0 | 0 | 0 | 113.3 | W32 K37 Y38 | W32-P35 HydrophobicContact CB-CB 4.1Å; W32-P35 HydrophobicContact CB-CG 4.46Å; W32-P35 HydrophobicContact CD2-CB 4.25Å; W32-P35 HydrophobicContact CE3-CB 3.93Å; W32-P35 HydrophobicContact CG-CB 4.36Å; P35-K37 PolarHBondContact O-N 3.14Å; P35-Y38 VanDerWaalsContact O-CB 3.26Å; P35-Y38 WeakPolarHBondContact O-CB 3.35Å; P35-Y38 PolarHBondContact O-N 3.28Å |
| 36 | D | 98.1 | Very high | 98.3 | Very high | 157 Ų | 157 | 59 Ų | 59 | 84% | 0.84 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -66.5 | -18.8 | 179.6 | -58.5 | -23.2 | 0 | 0 | 0 | 112.9 | D34 Y38 | D34-D36 PolarHBondContact O-N 2.86Å; D34-D36 VanDerWaalsContact O-N 3.1Å; D36-Y38 PolarHBondContact O-N 2.9Å |
| 37 | K | 98.1 | Very high | 98.2 | Very high | 80 Ų | 80 | 60.2 Ų | 60.2 | 35% | 0.348 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -79.4 | -6.7 | 173.7 | -65.8 | 179.9 | -172.3 | 161.2 | 0 | 112.5 | D34 P35 C39 P72 | D34-K37 HydrophobicContact CB-CB 4.47Å; D34-K37 HydrophobicContact CB-CD 3.82Å; D34-K37 HydrophobicContact CB-CG 4.17Å; D34-K37 WeakPolarHBondContact O-CB 3.2Å; D34-K37 PolarHBondContact O-N 3.13Å; D34-K37 IonicContact OD2-NZ 3.92Å; D34-K37 PolarHBondContact OD2-NZ 3.12Å; P35-K37 PolarHBondContact O-N 3.14Å; K37-C39 PolarHBondContact O-N 2.98Å; K37-P72 HydrophobicContact CB-CB 3.8Å; K37-P72 HydrophobicContact CB-CG 4.04Å |
| 38 | Y | 98.4 | Very high | 98.2 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 8% | 0.082 | 29% | 0.286 | C | S | . | . | trans | -78.8 | 114.2 | 176.7 | -176.6 | -129.4 | 0 | 0 | 0 | 110.9 | L9 R11 L14 W32 P35 D36 P40 P51 | L9-Y38 PolarHBondContact O-OH 2.95Å; R11-Y38 HydrophobicContact CB-CD1 4.1Å; R11-Y38 HydrophobicContact CB-CE1 4.3Å; R11-Y38 HydrophobicContact CG-CD1 4.28Å; L14-Y38 HydrophobicContact CD2-CE1 4.22Å; L14-Y38 HydrophobicContact CD2-CE2 4.24Å; W32-Y38 AromaticContact CH2-CD1 3.94Å; W32-Y38 HydrophobicContact CH2-CD1 3.94Å; W32-Y38 HydrophobicContact CH2-CD2 4.42Å; W32-Y38 HydrophobicContact CH2-CE1 4.45Å; W32-Y38 AromaticContact CH2-CG 3.92Å; W32-Y38 HydrophobicContact CH2-CG 3.92Å; W32-Y38 HydrophobicContact CZ3-CD1 4.45Å; W32-Y38 HydrophobicContact CZ3-CG 4.1Å; P35-Y38 VanDerWaalsContact O-CB 3.26Å; P35-Y38 WeakPolarHBondContact O-CB 3.35Å; P35-Y38 PolarHBondContact O-N 3.28Å; D36-Y38 PolarHBondContact O-N 2.9Å; Y38-P40 HydrophobicContact CD1-CG 4.17Å; Y38-P40 HydrophobicContact CE1-CB 4.4Å; Y38-P40 HydrophobicContact CE1-CG 3.64Å; Y38-P51 HydrophobicContact CD2-CB 4.39Å; Y38-P51 HydrophobicContact CD2-CG 4.04Å; Y38-P51 HydrophobicContact CE2-CB 4.44Å; Y38-P51 HydrophobicContact CE2-CG 3.65Å | ||
| 39 | C | 97.6 | Very high | 98.2 | Very high | 80 Ų | 80 | 55 Ų | 55 | 54% | 0.541 | 29% | 0.288 | S | S | . | . | trans | -120.6 | 100.6 | 175.8 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | K37 K44 | K37-C39 PolarHBondContact O-N 2.98Å; C39-K44 PolarHBondContact O-NZ 3.19Å | ||
| 40 | P | 98.3 | Very high | 98.1 | Very high | 49 Ų | 49 | 50.5 Ų | 50.5 | 32% | 0.318 | 27% | 0.265 | S | S | . | . | trans | -61.3 | 139.9 | 179.6 | -15.8 | 25.2 | 0 | 0 | 0 | 111.6 | C7 H8 Y38 | C7-P40 WeakPolarHBondContact O-CA 3.25Å; H8-P40 WeakPolarHBondContact O-CB 3.33Å; Y38-P40 HydrophobicContact CD1-CG 4.17Å; Y38-P40 HydrophobicContact CE1-CB 4.4Å; Y38-P40 HydrophobicContact CE1-CG 3.64Å | ||
| 41 | S | 98.7 | Very high | 98.1 | Very high | 14 Ų | 14 | 50.2 Ų | 50.2 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 144.9 | 173.9 | 156.8 | 0 | 0 | 0 | 0 | 111.7 | C7 N43 N262 | C7-S41 CarbonylContact C-O 3.59Å; C7-S41 VanDerWaalsContact C-O 3.31Å; C7-S41 PolarHBondContact N-O 2.98Å; C7-S41 PolarHBondContact O-N 3.26Å; S41-N43 PolarHBondContact O-N 2.87Å; S41-N43 PolarHBondContact OG-N 3.46Å; S41-N262 WeakPolarHBondContact CA-OD1 3.26Å; S41-N262 WeakPolarHBondContact CB-OD1 3.4Å; S41-N262 PolarHBondContact OG-OD1 3.39Å |
| 42 | Y | 98.7 | Very high | 98.2 | Very high | 42 Ų | 42 | 46.8 Ų | 46.8 | 17% | 0.165 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | -13.1 | 173.2 | -68.1 | -82.5 | 0 | 0 | 0 | 112.7 | S6 H8 Y126 N262 T263 P264 L267 | S6-Y42 WeakPolarHBondContact CB-O 3.31Å; S6-Y42 WeakPolarHBondContact OG-CA 3.43Å; H8-Y42 HydrophobicContact CB-CD1 3.94Å; H8-Y42 HydrophobicContact CB-CD2 4.12Å; H8-Y42 HydrophobicContact CB-CE1 3.93Å; H8-Y42 HydrophobicContact CB-CE2 4.09Å; H8-Y42 HydrophobicContact CB-CG 4.04Å; H8-Y42 AromaticContact CD2-CE1 3.39Å; H8-Y42 WeakPolarHBondContact CD2-CE1 3.18Å; H8-Y42 AromaticContact CD2-CZ 3.28Å; H8-Y42 PolarHBondContact CD2-OH 3.24Å; H8-Y42 AromaticContact CE1-CE1 3.78Å; H8-Y42 AromaticContact CG-CD1 3.75Å; H8-Y42 AromaticContact CG-CE1 3.34Å; H8-Y42 AromaticContact CG-CZ 3.58Å; H8-Y42 AromaticContact ND1-CD1 3.93Å; H8-Y42 AromaticContact ND1-CE1 3.6Å; H8-Y42 AromaticContact NE2-CE1 3.67Å; H8-Y42 AromaticContact NE2-CZ 3.85Å; Y42-Y126 VanDerWaalsContact O-CE2 3.29Å; Y42-Y126 WeakPolarHBondContact O-CE2 3.2Å; Y42-Y126 PolarHBondContact O-OH 2.87Å; Y42-N262 WeakPolarHBondContact CD2-OD1 3.44Å; Y42-N262 PolarHBondContact N-OD1 3.46Å; Y42-T263 WeakPolarHBondContact CB-O 3.49Å; Y42-T263 VanDerWaalsContact CD2-C 3.49Å; Y42-P264 HydrophobicContact CE1-CB 4.27Å; Y42-P264 HydrophobicContact CE1-CG 4.46Å; Y42-P264 HydrophobicContact CE2-CG 3.94Å; Y42-L267 HydrophobicContact CD1-CD2 3.62Å; Y42-L267 HydrophobicContact CD1-CG 3.93Å; Y42-L267 HydrophobicContact CE1-CD2 4.09Å; Y42-L267 HydrophobicContact CE1-CG 4.38Å |
| 43 | N | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 59.6 | -165.6 | -156.4 | -2 | 0 | 0 | 0 | 113.1 | R4 T5 S41 V256 N258 N261 | R4-N43 WeakPolarHBondContact CD-OD1 3.37Å; R4-N43 WeakPolarHBondContact CG-OD1 3.39Å; R4-N43 PolarHBondContact NH1-ND2 3.11Å; R4-N43 PolarHBondContact NH1-OD1 2.98Å; T5-N43 CarbonylContact O-C 3.6Å; S41-N43 PolarHBondContact O-N 2.87Å; S41-N43 PolarHBondContact OG-N 3.46Å; N43-V256 PolarHBondContact ND2-O 3.42Å; N43-V256 VanDerWaalsContact ND2-O 3.12Å; N43-N258 PolarHBondContact ND2-O 3.47Å; N43-N258 VanDerWaalsContact ND2-O 3.13Å; N43-N261 WeakPolarHBondContact CB-O 3.28Å; N43-N261 PolarHBondContact ND2-O 3.1Å |
| 44 | K | 98.6 | Very high | 98.2 | Very high | 10 Ų | 10 | 41.2 Ų | 41.2 | 4% | 0.043 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 125.5 | 179.7 | -52.4 | -64.6 | -67.7 | -175.4 | 0 | 111 | R4 T5 C7 C39 N49 | R4-K44 WeakPolarHBondContact CA-O 3.44Å; R4-K44 WeakPolarHBondContact CD-O 3.46Å; T5-K44 PolarHBondContact N-O 3.31Å; T5-K44 WeakPolarHBondContact O-CB 3.37Å; T5-K44 PolarHBondContact O-N 3.34Å; T5-K44 WeakPolarHBondContact OG1-CB 3.43Å; C7-K44 HydrophobicContact CB-CG 4.19Å; C39-K44 PolarHBondContact O-NZ 3.19Å; K44-N49 WeakPolarHBondContact CE-O 3.41Å; K44-N49 PolarHBondContact NZ-O 3.44Å |
| 45 | S | 97.8 | Very high | 98.3 | Very high | 35 Ų | 35 | 37.4 Ų | 37.4 | 25% | 0.245 | 21% | 0.206 | C | C | . | . | trans | -109.8 | 168.3 | 176.4 | 65.8 | 0 | 0 | 0 | 0 | 112 | S48 | S45-S48 WeakPolarHBondContact O-CB 3.44Å; S45-S48 PolarHBondContact O-N 3.34Å; S45-S48 PolarHBondContact O-OG 3.15Å | ||
| 46 | P | 97.7 | Very high | 98.3 | Very high | 39 Ų | 39 | 37.5 Ų | 37.5 | 25% | 0.253 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 153.5 | 166.2 | -26.4 | 35.8 | 0 | 0 | 0 | 111 | G3 S48 T95 | G3-P46 WeakPolarHBondContact O-CD 3.23Å; P46-S48 PolarHBondContact O-N 3.47Å; P46-T95 HydrophobicContact CB-CG2 4.26Å; P46-T95 HydrophobicContact CG-CG2 3.63Å |
| 47 | Q | 96.3 | Very high | 98.3 | Very high | 130 Ų | 130 | 32.1 Ų | 32.1 | 61% | 0.607 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | -14.6 | -172.9 | -49 | 173.1 | -16.9 | 0 | 0 | 115.4 | W75 | Q47-W75 WeakPolarHBondContact CA-O 3.43Å; Q47-W75 PolarHBondContact N-O 3.45Å |
| 48 | S | 97.6 | Very high | 98.3 | Very high | 30 Ų | 30 | 30.6 Ų | 30.6 | 21% | 0.21 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -75.8 | 160.2 | 169.8 | 76.3 | 0 | 0 | 0 | 0 | 111.9 | S45 P46 W75 | S45-S48 WeakPolarHBondContact O-CB 3.44Å; S45-S48 PolarHBondContact O-N 3.34Å; S45-S48 PolarHBondContact O-OG 3.15Å; P46-S48 PolarHBondContact O-N 3.47Å; S48-W75 PolarHBondContact O-N 3.28Å |
| 49 | N | 98.5 | Very high | 98.3 | Very high | 52 Ų | 52 | 32.6 Ų | 32.6 | 28% | 0.278 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 134.7 | 172.1 | -66.7 | -26.4 | 0 | 0 | 0 | 110.9 | K44 P72 M73 R74 | K44-N49 WeakPolarHBondContact CE-O 3.41Å; K44-N49 PolarHBondContact NZ-O 3.44Å; N49-P72 HydrophobicContact CB-CB 4.13Å; N49-M73 CarbonylContact C-O 3.57Å; N49-M73 VanDerWaalsContact CA-O 3.28Å; N49-M73 WeakPolarHBondContact CA-O 3.46Å; N49-R74 WeakPolarHBondContact OD1-CA 3.3Å; N49-R74 PolarHBondContact OD1-N 3.27Å |
| 50 | N | 98.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 142.3 | 175.9 | -155.6 | 52.5 | 0 | 0 | 0 | 109.4 | C7 P72 M73 V120 L121 Y195 | C7-N50 WeakPolarHBondContact CB-OD1 3.43Å; N50-P72 WeakPolarHBondContact O-CA 3.43Å; N50-M73 PolarHBondContact N-O 3.06Å; N50-M73 PolarHBondContact O-N 2.86Å; N50-V120 WeakPolarHBondContact ND2-CG1 3.38Å; N50-L121 PolarHBondContact ND2-O 3.38Å; N50-Y195 HydrophobicContact CB-CE1 4.06Å; N50-Y195 WeakPolarHBondContact CB-OH 3.49Å |
| 51 | P | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 135 | 178.6 | 28.4 | -32.1 | 0 | 0 | 0 | 110.3 | C7 L14 W32 Y38 I70 L121 | C7-P51 VanDerWaalsContact SG-CG 3.56Å; L14-P51 HydrophobicContact CD2-CB 3.88Å; L14-P51 HydrophobicContact CD2-CG 3.54Å; W32-P51 HydrophobicContact CH2-CB 4.33Å; Y38-P51 HydrophobicContact CD2-CB 4.39Å; Y38-P51 HydrophobicContact CD2-CG 4.04Å; Y38-P51 HydrophobicContact CE2-CB 4.44Å; Y38-P51 HydrophobicContact CE2-CG 3.65Å; P51-I70 HydrophobicContact CB-CD1 4.07Å; P51-I70 HydrophobicContact CB-CG1 4.05Å; P51-L121 HydrophobicContact CB-CD1 4.43Å; P51-L121 HydrophobicContact CG-CB 4.41Å; P51-L121 PolarHBondContact O-N 3.22Å; P51-L121 VanDerWaalsContact O-N 3.16Å |
| 52 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 149.1 | 172.9 | -47 | 0 | 0 | 0 | 0 | 109.7 | L54 I70 A71 M73 C118 V119 V120 Y195 | V52-L54 HydrophobicContact CG2-CD2 4.42Å; V52-I70 WeakPolarHBondContact O-CA 3.38Å; V52-A71 PolarHBondContact N-O 2.99Å; V52-A71 PolarHBondContact O-N 3.11Å; V52-M73 HydrophobicContact CG1-CB 4.48Å; V52-M73 HydrophobicContact CG2-CB 4.42Å; V52-M73 HydrophobicContact CG2-CE 3.72Å; V52-M73 HydrophobicContact CG2-CG 3.78Å; V52-M73 HydrophobicContact CG2-SD 3.56Å; V52-M73 VanDerWaalsContact CG2-SD 3.56Å; V52-C118 HydrophobicContact CB-CB 4.1Å; V52-C118 HydrophobicContact CG2-CB 3.85Å; V52-V119 CarbonylContact C-O 3.54Å; V52-V119 WeakPolarHBondContact CA-O 3.5Å; V52-V119 WeakPolarHBondContact CB-O 3.38Å; V52-V120 HydrophobicContact CG1-CB 4.33Å; V52-V120 HydrophobicContact CG1-CG1 4.35Å; V52-V120 HydrophobicContact CG1-CG2 4.03Å; V52-Y195 HydrophobicContact CG1-CD1 4.03Å; V52-Y195 HydrophobicContact CG1-CE1 4.14Å; V52-Y195 HydrophobicContact CG1-CG 4.33Å |
| 53 | L | 98.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 141.9 | 165.7 | -57.2 | 177.2 | 0 | 0 | 0 | 110 | P30 I69 I70 C118 V119 L121 L227 | P30-L53 HydrophobicContact CB-CD2 4.1Å; P30-L53 HydrophobicContact CG-CD2 4.17Å; L53-I69 CarbonylContact C-O 3.6Å; L53-I69 VanDerWaalsContact CA-O 3.26Å; L53-I69 WeakPolarHBondContact CA-O 3.14Å; L53-I70 HydrophobicContact CD2-CB 3.89Å; L53-I70 HydrophobicContact CD2-CD1 4.44Å; L53-I70 HydrophobicContact CD2-CG1 4.29Å; L53-C118 CarbonylContact O-C 3.59Å; L53-C118 WeakPolarHBondContact O-CA 3.24Å; L53-C118 WeakPolarHBondContact O-CB 3.47Å; L53-V119 HydrophobicContact CB-CB 4.23Å; L53-V119 PolarHBondContact N-O 3.2Å; L53-V119 PolarHBondContact O-N 3.17Å; L53-L121 HydrophobicContact CD1-CD2 4.21Å; L53-L121 HydrophobicContact CD2-CD1 4.22Å; L53-L121 HydrophobicContact CG-CD1 4.13Å; L53-L121 HydrophobicContact CG-CD2 4.18Å; L53-L121 HydrophobicContact CG-CG 4.35Å; L53-L227 HydrophobicContact CB-CD1 3.85Å; L53-L227 HydrophobicContact CB-CD2 4.25Å; L53-L227 HydrophobicContact CD1-CD1 4.42Å; L53-L227 VanDerWaalsContact O-CD2 3.3Å; L53-L227 WeakPolarHBondContact O-CD2 3.42Å |
| 54 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 159.3 | 171.3 | 67.8 | 166.8 | 0 | 0 | 0 | 110.2 | V52 H58 F59 I69 A71 M73 C118 F180 | V52-L54 HydrophobicContact CG2-CD2 4.42Å; L54-H58 HydrophobicContact CD1-CB 4.31Å; L54-F59 HydrophobicContact CD1-CE2 3.62Å; L54-F59 HydrophobicContact CD1-CZ 4.08Å; L54-F59 HydrophobicContact CD2-CE2 4.15Å; L54-F59 HydrophobicContact CG-CE2 3.93Å; L54-I69 HydrophobicContact CD2-CB 3.99Å; L54-I69 HydrophobicContact CD2-CG2 3.91Å; L54-I69 HydrophobicContact CG-CB 4.36Å; L54-I69 PolarHBondContact N-O 2.84Å; L54-I69 PolarHBondContact O-N 2.88Å; L54-A71 HydrophobicContact CD2-CB 4Å; L54-M73 HydrophobicContact CD1-CE 3.6Å; L54-M73 HydrophobicContact CD2-CE 4.03Å; L54-M73 HydrophobicContact CG-CE 4.38Å; L54-C118 HydrophobicContact CB-CB 4.45Å; L54-F180 HydrophobicContact CB-CE1 4.3Å; L54-F180 HydrophobicContact CD1-CE1 3.98Å; L54-F180 HydrophobicContact CD1-CE2 4.37Å; L54-F180 HydrophobicContact CD1-CZ 3.81Å |
| 55 | S | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 139.5 | 178.3 | 177.9 | 0 | 0 | 0 | 0 | 112.1 | L57 H58 S65 L227 | S55-L57 PolarHBondContact O-N 3.42Å; S55-L57 PolarHBondContact OG-N 3.26Å; S55-H58 WeakPolarHBondContact O-CB 3.48Å; S55-H58 PolarHBondContact O-N 2.68Å; S55-H58 VanDerWaalsContact O-N 3.15Å; S55-S65 WeakPolarHBondContact CB-O 3.46Å; S55-S65 VanDerWaalsContact OG-CA 3.31Å; S55-S65 WeakPolarHBondContact OG-CA 3.43Å; S55-S65 PolarHBondContact OG-O 2.74Å; S55-L227 WeakPolarHBondContact CB-O 3.38Å |
| 56 | R | 98.8 | Very high | 97.9 | Very high | 41 Ų | 41 | 45.1 Ų | 45.1 | 16% | 0.155 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -57.9 | -29.5 | 173.6 | -170 | 179.5 | -174.3 | 96.6 | 12.7 | 112.5 | E31 H58 F59 E60 A63 E67 I69 | E31-R56 IonicContact OE2-CZ 3.44Å; E31-R56 IonicContact OE2-NH1 3.64Å; E31-R56 PolarHBondContact OE2-NH1 3.02Å; E31-R56 IonicContact OE2-NH2 2.87Å; E31-R56 PolarHBondContact OE2-NH2 3.01Å; E31-R56 VanDerWaalsContact OE2-NH2 3.11Å; R56-H58 PolarHBondContact O-N 2.9Å; R56-F59 PolarHBondContact O-N 2.7Å; R56-E60 IonicContact CZ-OE1 3.54Å; R56-E60 IonicContact CZ-OE2 3.04Å; R56-E60 VanDerWaalsContact CZ-OE2 3.28Å; R56-E60 IonicContact NE-OE1 2.75Å; R56-E60 IonicContact NE-OE2 3.11Å; R56-E60 PolarHBondContact NE-OE2 2.89Å; R56-E60 IonicContact NH2-OE1 3.7Å; R56-E60 PolarHBondContact NH2-OE1 3.18Å; R56-E60 IonicContact NH2-OE2 3.49Å; R56-E60 PolarHBondContact NH2-OE2 2.96Å; R56-E60 PolarHBondContact O-N 2.9Å; R56-E60 VanDerWaalsContact O-N 3.11Å; R56-A63 HydrophobicContact CB-CB 4Å; R56-A63 HydrophobicContact CG-CB 3.62Å; R56-E67 HydrophobicContact CB-CB 3.89Å; R56-E67 WeakPolarHBondContact CB-O 3.43Å; R56-E67 PolarHBondContact N-O 2.85Å; R56-I69 HydrophobicContact CB-CG1 4.23Å; R56-I69 HydrophobicContact CG-CD1 4.26Å; R56-I69 HydrophobicContact CG-CG1 4.35Å |
| 57 | L | 98.6 | Very high | 98 | Very high | 44 Ų | 44 | 44.8 Ų | 44.8 | 23% | 0.23 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -60 | -18.9 | 178 | -174.7 | 62.3 | 0 | 0 | 0 | 113.3 | S55 F59 E60 K61 F229 | S55-L57 PolarHBondContact O-N 3.42Å; S55-L57 PolarHBondContact OG-N 3.26Å; L57-F59 VanDerWaalsContact C-N 3.26Å; L57-F59 PolarHBondContact O-N 2.74Å; L57-E60 WeakPolarHBondContact CA-O 3.31Å; L57-E60 WeakPolarHBondContact CD1-O 3.39Å; L57-K61 VanDerWaalsContact CD1-O 3.23Å; L57-K61 WeakPolarHBondContact CD1-O 3.41Å; L57-F229 HydrophobicContact CB-CE1 3.81Å; L57-F229 HydrophobicContact CB-CZ 3.89Å; L57-F229 HydrophobicContact CD2-CE1 4.03Å; L57-F229 HydrophobicContact CD2-CE2 3.96Å; L57-F229 HydrophobicContact CD2-CZ 3.53Å; L57-F229 HydrophobicContact CG-CE1 4.06Å; L57-F229 HydrophobicContact CG-CE2 4.44Å; L57-F229 HydrophobicContact CG-CZ 3.6Å |
| 58 | H | 98.4 | Very high | 98.1 | Very high | 49 Ų | 49 | 38.8 Ų | 38.8 | 23% | 0.227 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -70.2 | -20.7 | 172 | -72 | -53 | 0 | 0 | 0 | 114.3 | L54 S55 R56 G115 F180 F229 | L54-H58 HydrophobicContact CD1-CB 4.31Å; S55-H58 WeakPolarHBondContact O-CB 3.48Å; S55-H58 PolarHBondContact O-N 2.68Å; S55-H58 VanDerWaalsContact O-N 3.15Å; R56-H58 PolarHBondContact O-N 2.9Å; H58-G115 PolarHBondContact CE1-O 3.01Å; H58-G115 VanDerWaalsContact CE1-O 3.25Å; H58-G115 PolarHBondContact NE2-O 2.84Å; H58-F180 AromaticContact CD2-CE1 3.89Å; H58-F180 AromaticContact CD2-CZ 3.68Å; H58-F180 AromaticContact CE1-CZ 3.96Å; H58-F180 AromaticContact CG-CZ 3.9Å; H58-F180 AromaticContact NE2-CE1 3.68Å; H58-F180 AromaticContact NE2-CZ 3.7Å; H58-F229 AromaticContact CD2-CE1 3.79Å; H58-F229 AromaticContact CE1-CD1 3.5Å; H58-F229 AromaticContact CE1-CE1 3.22Å; H58-F229 WeakPolarHBondContact CE1-CE1 3.11Å; H58-F229 AromaticContact CE1-CZ 3.63Å; H58-F229 AromaticContact CG-CE1 3.85Å; H58-F229 AromaticContact ND1-CE1 3.51Å; H58-F229 AromaticContact ND1-CZ 3.69Å; H58-F229 AromaticContact NE2-CD1 3.47Å; H58-F229 WeakPolarHBondContact NE2-CD1 3.41Å; H58-F229 AromaticContact NE2-CE1 3.44Å; H58-F229 WeakPolarHBondContact NE2-CE1 3.31Å |
| 59 | F | 97.9 | Very high | 98.1 | Very high | 63 Ų | 63 | 37.4 Ų | 37.4 | 28% | 0.276 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | -28.9 | -179 | -65.4 | -82.3 | 0 | 0 | 0 | 112.6 | R33 L54 R56 L57 I69 | R33-F59 HydrophobicContact CB-CZ 4.48Å; R33-F59 HydrophobicContact CG-CE1 4.35Å; R33-F59 HydrophobicContact CG-CZ 4.3Å; L54-F59 HydrophobicContact CD1-CE2 3.62Å; L54-F59 HydrophobicContact CD1-CZ 4.08Å; L54-F59 HydrophobicContact CD2-CE2 4.15Å; L54-F59 HydrophobicContact CG-CE2 3.93Å; R56-F59 PolarHBondContact O-N 2.7Å; L57-F59 VanDerWaalsContact C-N 3.26Å; L57-F59 PolarHBondContact O-N 2.74Å; F59-I69 HydrophobicContact CD2-CB 4.3Å; F59-I69 HydrophobicContact CD2-CG1 3.81Å; F59-I69 HydrophobicContact CD2-CG2 4.26Å; F59-I69 HydrophobicContact CE2-CB 4.05Å; F59-I69 HydrophobicContact CE2-CG1 4.09Å; F59-I69 HydrophobicContact CE2-CG2 3.71Å; F59-I69 HydrophobicContact CZ-CG2 4.37Å |
| 60 | E | 98.1 | Very high | 98.1 | Very high | 65 Ų | 65 | 34.9 Ų | 34.9 | 30% | 0.304 | 17% | 0.171 | S | C | . | . | trans | -133.5 | 120.4 | -172.4 | -70.1 | 173.2 | -160.5 | 0 | 0 | 110.2 | R33 R56 L57 D62 A63 | R33-E60 IonicContact NH2-OE1 2.76Å; R33-E60 PolarHBondContact NH2-OE1 2.83Å; R56-E60 IonicContact CZ-OE1 3.54Å; R56-E60 IonicContact CZ-OE2 3.04Å; R56-E60 VanDerWaalsContact CZ-OE2 3.28Å; R56-E60 IonicContact NE-OE1 2.75Å; R56-E60 IonicContact NE-OE2 3.11Å; R56-E60 PolarHBondContact NE-OE2 2.89Å; R56-E60 IonicContact NH2-OE1 3.7Å; R56-E60 PolarHBondContact NH2-OE1 3.18Å; R56-E60 IonicContact NH2-OE2 3.49Å; R56-E60 PolarHBondContact NH2-OE2 2.96Å; R56-E60 PolarHBondContact O-N 2.9Å; R56-E60 VanDerWaalsContact O-N 3.11Å; L57-E60 WeakPolarHBondContact CA-O 3.31Å; L57-E60 WeakPolarHBondContact CD1-O 3.39Å; E60-D62 VanDerWaalsContact C-N 3.28Å; E60-D62 PolarHBondContact O-N 3.4Å; E60-A63 HydrophobicContact CB-CB 3.79Å; E60-A63 WeakPolarHBondContact O-CB 3.43Å; E60-A63 PolarHBondContact O-N 3.12Å | ||
| 61 | K | 93.9 | Very high | 98.2 | Very high | 189 Ų | 189 | 35.3 Ų | 35.3 | 82% | 0.822 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -29.5 | -169.9 | -70.3 | -177.5 | 178.3 | 177.8 | 0 | 114.8 | L57 | L57-K61 VanDerWaalsContact CD1-O 3.23Å; L57-K61 WeakPolarHBondContact CD1-O 3.41Å |
| 62 | D | 95.6 | Very high | 98.2 | Very high | 166 Ų | 166 | 35.6 Ų | 35.6 | 89% | 0.888 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110 | 11.4 | -175.1 | -53 | -52.7 | 0 | 0 | 0 | 112.3 | E60 | E60-D62 VanDerWaalsContact C-N 3.28Å; E60-D62 PolarHBondContact O-N 3.4Å |
| 63 | A | 97.8 | Very high | 98.2 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 16% | 0.157 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -71.2 | 147.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R56 E60 S65 | R56-A63 HydrophobicContact CB-CB 4Å; R56-A63 HydrophobicContact CG-CB 3.62Å; E60-A63 HydrophobicContact CB-CB 3.79Å; E60-A63 WeakPolarHBondContact O-CB 3.43Å; E60-A63 PolarHBondContact O-N 3.12Å; A63-S65 PolarHBondContact O-N 2.65Å |
| 64 | D | 98 | Very high | 98.2 | Very high | 33 Ų | 33 | 36.9 Ų | 36.9 | 18% | 0.176 | 18% | 0.18 | C | C | . | . | trans | -61.3 | 120.1 | 166.1 | -175.4 | -33.9 | 0 | 0 | 0 | 109 | R23 S66 E67 | R23-D64 WeakPolarHBondContact CD-OD2 3.26Å; R23-D64 WeakPolarHBondContact CG-OD2 3.49Å; R23-D64 IonicContact CZ-OD1 3.28Å; R23-D64 IonicContact NE-OD1 3.06Å; R23-D64 PolarHBondContact NE-OD1 3.33Å; R23-D64 IonicContact NE-OD2 3.8Å; R23-D64 IonicContact NH2-OD1 2.68Å; D64-S66 VanDerWaalsContact CG-OG 3.29Å; D64-S66 PolarHBondContact O-N 2.98Å; D64-S66 VanDerWaalsContact O-N 3.17Å; D64-S66 VanDerWaalsContact OD1-CB 3.28Å; D64-S66 WeakPolarHBondContact OD1-CB 3.3Å; D64-S66 PolarHBondContact OD1-N 3.06Å; D64-S66 PolarHBondContact OD1-OG 2.93Å; D64-E67 HydrophobicContact CB-CG 4.16Å; D64-E67 WeakPolarHBondContact O-CB 3.32Å; D64-E67 PolarHBondContact O-N 2.99Å | ||
| 65 | S | 97.9 | Very high | 98.2 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -11.1 | -175.4 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | R23 S55 A63 D228 | R23-S65 PolarHBondContact NH2-OG 3.28Å; S55-S65 WeakPolarHBondContact CB-O 3.46Å; S55-S65 VanDerWaalsContact OG-CA 3.31Å; S55-S65 WeakPolarHBondContact OG-CA 3.43Å; S55-S65 PolarHBondContact OG-O 2.74Å; A63-S65 PolarHBondContact O-N 2.65Å; S65-D228 VanDerWaalsContact CB-OD1 3.24Å; S65-D228 WeakPolarHBondContact CB-OD1 3.18Å; S65-D228 PolarHBondContact OG-OD1 2.91Å |
| 66 | S | 98.4 | Very high | 98.1 | Very high | 17 Ų | 17 | 37 Ų | 37 | 12% | 0.119 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -16.9 | 170.8 | 73 | 0 | 0 | 0 | 0 | 113.5 | R23 D64 | R23-S66 WeakPolarHBondContact CG-OG 3.39Å; R23-S66 PolarHBondContact N-OG 3.06Å; D64-S66 VanDerWaalsContact CG-OG 3.29Å; D64-S66 PolarHBondContact O-N 2.98Å; D64-S66 VanDerWaalsContact O-N 3.17Å; D64-S66 VanDerWaalsContact OD1-CB 3.28Å; D64-S66 WeakPolarHBondContact OD1-CB 3.3Å; D64-S66 PolarHBondContact OD1-N 3.06Å; D64-S66 PolarHBondContact OD1-OG 2.93Å |
| 67 | E | 98.8 | Very high | 98.1 | Very high | 32 Ų | 32 | 35.1 Ų | 35.1 | 15% | 0.15 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -70.6 | 143.1 | 172.4 | -70 | -168.7 | -152.1 | 0 | 0 | 110.9 | Y20 R28 R56 D64 | Y20-E67 WeakPolarHBondContact OH-CA 3.4Å; R28-E67 VanDerWaalsContact CZ-CD 3.48Å; R28-E67 IonicContact CZ-OE1 3.18Å; R28-E67 IonicContact CZ-OE2 2.7Å; R28-E67 IonicContact NH1-OE1 2.79Å; R28-E67 PolarHBondContact NH1-OE1 3Å; R28-E67 VanDerWaalsContact NH1-OE1 3.08Å; R28-E67 IonicContact NH1-OE2 3.69Å; R28-E67 PolarHBondContact NH1-OE2 2.83Å; R28-E67 VanDerWaalsContact NH1-OE2 3.17Å; R28-E67 IonicContact NH2-OE1 2.74Å; R28-E67 PolarHBondContact NH2-OE1 2.58Å; R56-E67 HydrophobicContact CB-CB 3.89Å; R56-E67 WeakPolarHBondContact CB-O 3.43Å; R56-E67 PolarHBondContact N-O 2.85Å; D64-E67 HydrophobicContact CB-CG 4.16Å; D64-E67 WeakPolarHBondContact O-CB 3.32Å; D64-E67 PolarHBondContact O-N 2.99Å |
| 68 | R | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 33 Ų | 33 | 2% | 0.019 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 135.9 | -170 | -55.7 | 178.5 | -170.5 | 172.7 | 4.8 | 111.3 | Y20 P30 E31 E220 S224 L227 | Y20-R68 HydrophobicContact CD1-CG 4.47Å; Y20-R68 HydrophobicContact CD2-CG 4Å; Y20-R68 VanDerWaalsContact CD2-NE 3.32Å; Y20-R68 HydrophobicContact CE1-CB 3.96Å; Y20-R68 HydrophobicContact CE1-CG 4.17Å; Y20-R68 HydrophobicContact CE2-CB 4.23Å; Y20-R68 HydrophobicContact CE2-CG 3.68Å; Y20-R68 HydrophobicContact CG-CG 4.41Å; Y20-R68 PolarHBondContact OH-N 3.03Å; P30-R68 WeakPolarHBondContact CA-O 3.29Å; P30-R68 HydrophobicContact CB-CB 4.21Å; E31-R68 PolarHBondContact N-O 3.24Å; R68-E220 IonicContact CZ-OE2 3.72Å; R68-E220 IonicContact NH1-OE1 3.73Å; R68-E220 IonicContact NH1-OE2 3.41Å; R68-E220 PolarHBondContact NH1-OE2 2.98Å; R68-E220 IonicContact NH2-OE2 3.49Å; R68-E220 PolarHBondContact NH2-OE2 3.36Å; R68-S224 PolarHBondContact NH2-OG 3.02Å; R68-L227 HydrophobicContact CG-CD1 3.95Å |
| 69 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 144.8 | 164.3 | -63.7 | -59.2 | 0 | 0 | 0 | 108.3 | E31 R33 L53 L54 R56 F59 A71 | E31-I69 HydrophobicContact CB-CD1 3.78Å; E31-I69 HydrophobicContact CG-CD1 4.33Å; E31-I69 CarbonylContact O-C 3.52Å; E31-I69 WeakPolarHBondContact O-CA 3.4Å; R33-I69 HydrophobicContact CB-CG2 4.08Å; R33-I69 HydrophobicContact CG-CG2 3.64Å; L53-I69 CarbonylContact C-O 3.6Å; L53-I69 VanDerWaalsContact CA-O 3.26Å; L53-I69 WeakPolarHBondContact CA-O 3.14Å; L54-I69 HydrophobicContact CD2-CB 3.99Å; L54-I69 HydrophobicContact CD2-CG2 3.91Å; L54-I69 HydrophobicContact CG-CB 4.36Å; L54-I69 PolarHBondContact N-O 2.84Å; L54-I69 PolarHBondContact O-N 2.88Å; R56-I69 HydrophobicContact CB-CG1 4.23Å; R56-I69 HydrophobicContact CG-CD1 4.26Å; R56-I69 HydrophobicContact CG-CG1 4.35Å; F59-I69 HydrophobicContact CD2-CB 4.3Å; F59-I69 HydrophobicContact CD2-CG1 3.81Å; F59-I69 HydrophobicContact CD2-CG2 4.26Å; F59-I69 HydrophobicContact CE2-CB 4.05Å; F59-I69 HydrophobicContact CE2-CG1 4.09Å; F59-I69 HydrophobicContact CE2-CG2 3.71Å; F59-I69 HydrophobicContact CZ-CG2 4.37Å; I69-A71 HydrophobicContact CG2-CB 4.34Å |
| 70 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 125.5 | 165 | -177.3 | 165.3 | 0 | 0 | 0 | 109 | L14 P30 E31 W32 R33 P51 V52 L53 L121 | L14-I70 HydrophobicContact CD2-CD1 3.87Å; L14-I70 HydrophobicContact CG-CD1 4.3Å; P30-I70 HydrophobicContact CB-CB 4.07Å; P30-I70 HydrophobicContact CB-CG2 3.95Å; P30-I70 HydrophobicContact CG-CB 4.19Å; P30-I70 HydrophobicContact CG-CG2 3.98Å; E31-I70 WeakPolarHBondContact O-CG2 3.42Å; E31-I70 PolarHBondContact O-N 3.45Å; W32-I70 CarbonylContact C-O 3.49Å; W32-I70 WeakPolarHBondContact CA-O 3.36Å; W32-I70 HydrophobicContact CB-CG2 4.29Å; W32-I70 HydrophobicContact CD2-CG1 4.45Å; W32-I70 HydrophobicContact CD2-CG2 3.51Å; W32-I70 VanDerWaalsContact CE2-CG2 3.49Å; W32-I70 HydrophobicContact CE3-CG1 4.41Å; W32-I70 HydrophobicContact CE3-CG2 4.15Å; W32-I70 HydrophobicContact CG-CG2 3.56Å; W32-I70 HydrophobicContact CH2-CD1 3.83Å; W32-I70 HydrophobicContact CH2-CG1 4.05Å; W32-I70 HydrophobicContact CZ2-CD1 3.55Å; W32-I70 HydrophobicContact CZ2-CG1 4.04Å; W32-I70 HydrophobicContact CZ2-CG2 4.15Å; W32-I70 HydrophobicContact CZ3-CD1 4.49Å; W32-I70 HydrophobicContact CZ3-CG1 4.22Å; R33-I70 PolarHBondContact N-O 3.33Å; P51-I70 HydrophobicContact CB-CD1 4.07Å; P51-I70 HydrophobicContact CB-CG1 4.05Å; V52-I70 WeakPolarHBondContact O-CA 3.38Å; L53-I70 HydrophobicContact CD2-CB 3.89Å; L53-I70 HydrophobicContact CD2-CD1 4.44Å; L53-I70 HydrophobicContact CD2-CG1 4.29Å; I70-L121 HydrophobicContact CD1-CD1 3.75Å; I70-L121 HydrophobicContact CG1-CD1 4.45Å |
| 71 | A | 98.8 | Very high | 98 | Very high | 8 Ų | 8 | 31.8 Ų | 31.8 | 7% | 0.066 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 133.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | R33 V52 L54 I69 M73 | R33-A71 HydrophobicContact CB-CB 4.25Å; V52-A71 PolarHBondContact N-O 2.99Å; V52-A71 PolarHBondContact O-N 3.11Å; L54-A71 HydrophobicContact CD2-CB 4Å; I69-A71 HydrophobicContact CG2-CB 4.34Å; A71-M73 PolarHBondContact O-N 3.12Å |
| 72 | P | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 23.7 Ų | 23.7 | 5% | 0.045 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 125.2 | 168.2 | -20.2 | 34.5 | 0 | 0 | 0 | 110.6 | W32 R33 D34 K37 N49 N50 | W32-P72 HydrophobicContact CZ3-CG 4.04Å; R33-P72 WeakPolarHBondContact O-CD 3.46Å; D34-P72 WeakPolarHBondContact O-CD 3.48Å; D34-P72 WeakPolarHBondContact O-CG 3.11Å; K37-P72 HydrophobicContact CB-CB 3.8Å; K37-P72 HydrophobicContact CB-CG 4.04Å; N49-P72 HydrophobicContact CB-CB 4.13Å; N50-P72 WeakPolarHBondContact O-CA 3.43Å |
| 73 | M | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 150.5 | 175.2 | -65.6 | -166.2 | -177.2 | 0 | 0 | 110.9 | N49 N50 V52 L54 A71 W75 F180 Y193 Y195 | N49-M73 CarbonylContact C-O 3.57Å; N49-M73 VanDerWaalsContact CA-O 3.28Å; N49-M73 WeakPolarHBondContact CA-O 3.46Å; N50-M73 PolarHBondContact N-O 3.06Å; N50-M73 PolarHBondContact O-N 2.86Å; V52-M73 HydrophobicContact CG1-CB 4.48Å; V52-M73 HydrophobicContact CG2-CB 4.42Å; V52-M73 HydrophobicContact CG2-CE 3.72Å; V52-M73 HydrophobicContact CG2-CG 3.78Å; V52-M73 HydrophobicContact CG2-SD 3.56Å; V52-M73 VanDerWaalsContact CG2-SD 3.56Å; L54-M73 HydrophobicContact CD1-CE 3.6Å; L54-M73 HydrophobicContact CD2-CE 4.03Å; L54-M73 HydrophobicContact CG-CE 4.38Å; A71-M73 PolarHBondContact O-N 3.12Å; M73-W75 PolarHBondContact O-N 2.94Å; M73-F180 HydrophobicContact CE-CB 4.37Å; M73-F180 HydrophobicContact CE-CD1 4.47Å; M73-F180 HydrophobicContact CE-CD2 4.1Å; M73-F180 HydrophobicContact CE-CG 4.08Å; M73-F180 HydrophobicContact SD-CB 3.66Å; M73-F180 HydrophobicContact SD-CD2 4.35Å; M73-F180 HydrophobicContact SD-CG 4.04Å; M73-Y193 HydrophobicContact CE-CD1 3.89Å; M73-Y193 HydrophobicContact CE-CG 4.37Å; M73-Y195 HydrophobicContact CB-CD1 3.67Å; M73-Y195 HydrophobicContact CB-CE1 4.33Å; M73-Y195 WeakPolarHBondContact O-CE1 3.44Å |
| 74 | R | 98.7 | Very high | 98 | Very high | 29 Ų | 29 | 27.2 Ų | 27.2 | 11% | 0.109 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 127.3 | 175.7 | 179.1 | -175 | -178.9 | -99.9 | 14.2 | 110.6 | N49 G76 V78 P87 L192 Y193 S194 Y195 | N49-R74 WeakPolarHBondContact OD1-CA 3.3Å; N49-R74 PolarHBondContact OD1-N 3.27Å; R74-G76 PolarHBondContact NH1-O 2.92Å; R74-G76 PolarHBondContact O-N 3.17Å; R74-V78 VanDerWaalsContact NH1-CG2 3.33Å; R74-P87 PolarHBondContact NH2-O 2.85Å; R74-L192 HydrophobicContact CB-CD1 4.12Å; R74-Y193 PolarHBondContact N-O 3.27Å; R74-S194 CarbonylContact O-C 3.54Å; R74-S194 WeakPolarHBondContact O-CA 3.14Å; R74-S194 WeakPolarHBondContact O-CB 3.44Å; R74-Y195 WeakPolarHBondContact O-CD1 3.04Å; R74-Y195 PolarHBondContact O-N 3.03Å |
| 75 | W | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 116.3 | 172.7 | -170.4 | 3.6 | 0 | 0 | 0 | 111.2 | C2 T5 Q47 S48 M73 T95 Y195 I197 | C2-W75 WeakPolarHBondContact O-CZ2 3.48Å; T5-W75 HydrophobicContact CG2-CH2 3.88Å; T5-W75 HydrophobicContact CG2-CZ3 3.99Å; Q47-W75 WeakPolarHBondContact CA-O 3.43Å; Q47-W75 PolarHBondContact N-O 3.45Å; S48-W75 PolarHBondContact O-N 3.28Å; M73-W75 PolarHBondContact O-N 2.94Å; W75-T95 HydrophobicContact CD2-CG2 4.42Å; W75-T95 VanDerWaalsContact CE2-CG2 3.49Å; W75-T95 HydrophobicContact CZ2-CG2 3.7Å; W75-T95 PolarHBondContact NE1-O 3.09Å; W75-Y195 HydrophobicContact CB-CE1 3.77Å; W75-Y195 HydrophobicContact CB-CE2 4.27Å; W75-Y195 WeakPolarHBondContact CB-OH 3.2Å; W75-Y195 AromaticContact CD1-CE2 3.6Å; W75-Y195 AromaticContact CD1-CZ 3.8Å; W75-Y195 HydrophobicContact CD2-CE2 4.46Å; W75-Y195 HydrophobicContact CG-CE1 4.28Å; W75-Y195 AromaticContact CG-CE2 3.89Å; W75-Y195 HydrophobicContact CG-CE2 3.89Å; W75-Y195 AromaticContact CG-CZ 3.6Å; W75-I197 HydrophobicContact CH2-CD1 4.19Å; W75-I197 HydrophobicContact CZ2-CD1 3.51Å; W75-I197 HydrophobicContact CZ2-CG1 4.46Å |
| 76 | G | 98.3 | Very high | 97.6 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 117.5 | 98.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | R74 V78 S194 Y195 | R74-G76 PolarHBondContact NH1-O 2.92Å; R74-G76 PolarHBondContact O-N 3.17Å; G76-V78 PolarHBondContact O-N 3.12Å; G76-S194 WeakPolarHBondContact O-CB 3.07Å; G76-Y195 CarbonylContact C-O 3.46Å; G76-Y195 WeakPolarHBondContact CA-O 3.04Å; G76-Y195 PolarHBondContact N-O 2.73Å |
| 77 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -62.4 | 124.9 | -174.2 | -175.6 | 153.2 | 0 | 0 | 0 | 111 | P79 T94 F108 P111 I179 D181 Y195 T196 | L77-P79 HydrophobicContact CD2-CB 4.3Å; L77-P79 HydrophobicContact CD2-CG 3.88Å; L77-P79 WeakPolarHBondContact O-CD 3.42Å; L77-T94 PolarHBondContact N-O 3.35Å; L77-T94 PolarHBondContact N-OG1 3.39Å; L77-T94 VanDerWaalsContact N-OG1 3.1Å; L77-T94 WeakPolarHBondContact O-CB 3.41Å; L77-T94 WeakPolarHBondContact O-CG2 3.36Å; L77-T94 PolarHBondContact O-OG1 3.46Å; L77-F108 HydrophobicContact CD1-CD1 4.29Å; L77-P111 HydrophobicContact CD1-CG 4.49Å; L77-I179 HydrophobicContact CD1-CG2 4.21Å; L77-D181 HydrophobicContact CD1-CB 4.04Å; L77-D181 HydrophobicContact CD2-CB 4.03Å; L77-D181 HydrophobicContact CG-CB 3.87Å; L77-Y195 PolarHBondContact N-O 2.99Å; L77-Y195 VanDerWaalsContact N-O 3.1Å; L77-T196 HydrophobicContact CD1-CG2 4.15Å | ||
| 78 | V | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -98.4 | 108.3 | 170.7 | -175.3 | 0 | 0 | 0 | 0 | 106.6 | R74 G76 F82 P87 W183 L192 S194 | R74-V78 VanDerWaalsContact NH1-CG2 3.33Å; G76-V78 PolarHBondContact O-N 3.12Å; V78-F82 HydrophobicContact CG1-CB 4.12Å; V78-F82 HydrophobicContact CG1-CD1 3.77Å; V78-F82 HydrophobicContact CG1-CG 4.23Å; V78-P87 HydrophobicContact CG2-CB 3.85Å; V78-P87 HydrophobicContact CG2-CG 4.4Å; V78-W183 HydrophobicContact CB-CB 4.23Å; V78-W183 HydrophobicContact CB-CG 4.46Å; V78-W183 HydrophobicContact CG1-CB 3.86Å; V78-W183 HydrophobicContact CG1-CD2 3.8Å; V78-W183 HydrophobicContact CG1-CE3 4.31Å; V78-W183 HydrophobicContact CG1-CG 3.59Å; V78-L192 HydrophobicContact CB-CD2 4.23Å; V78-L192 HydrophobicContact CG2-CD2 3.75Å; V78-S194 PolarHBondContact N-OG 2.75Å | ||
| 79 | P | 98 | Very high | 97 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -64.3 | 144.7 | -176.2 | -21 | 32.7 | 0 | 0 | 0 | 111.3 | L77 W81 F82 F92 D181 | L77-P79 HydrophobicContact CD2-CB 4.3Å; L77-P79 HydrophobicContact CD2-CG 3.88Å; L77-P79 WeakPolarHBondContact O-CD 3.42Å; P79-W81 HydrophobicContact CB-CD2 3.94Å; P79-W81 HydrophobicContact CB-CG 4.16Å; P79-W81 HydrophobicContact CB-CZ2 3.78Å; P79-W81 VanDerWaalsContact CB-NE1 3.27Å; P79-W81 HydrophobicContact CG-CH2 4.38Å; P79-W81 HydrophobicContact CG-CZ2 3.77Å; P79-W81 PolarHBondContact O-N 3.29Å; P79-F82 WeakPolarHBondContact O-CB 3.46Å; P79-F82 PolarHBondContact O-N 3.3Å; P79-F92 HydrophobicContact CG-CE2 4.34Å; P79-F92 HydrophobicContact CG-CZ 4.21Å; P79-D181 WeakPolarHBondContact CA-OD2 3.46Å | ||
| 80 | S | 97.6 | Very high | 96.8 | Very high | 51 Ų | 51 | 37.8 Ų | 37.8 | 36% | 0.357 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -18.6 | -178.8 | 77.9 | 0 | 0 | 0 | 0 | 114.2 | D181 C182 | S80-D181 PolarHBondContact N-OD2 3.46Å; S80-C182 WeakPolarHBondContact CB-O 3.43Å |
| 81 | W | 96.2 | Very high | 96.4 | Very high | 101 Ų | 101 | 46.1 Ų | 46.1 | 38% | 0.383 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -4.9 | 178.9 | 54 | -99.2 | 0 | 0 | 0 | 113.9 | P79 K83 F92 | P79-W81 HydrophobicContact CB-CD2 3.94Å; P79-W81 HydrophobicContact CB-CG 4.16Å; P79-W81 HydrophobicContact CB-CZ2 3.78Å; P79-W81 VanDerWaalsContact CB-NE1 3.27Å; P79-W81 HydrophobicContact CG-CH2 4.38Å; P79-W81 HydrophobicContact CG-CZ2 3.77Å; P79-W81 PolarHBondContact O-N 3.29Å; W81-K83 WeakPolarHBondContact O-CE 3.49Å; W81-K83 WeakPolarHBondContact O-CG 3.47Å; W81-F92 HydrophobicContact CH2-CE1 4.01Å; W81-F92 AromaticContact CH2-CZ 3.64Å; W81-F92 HydrophobicContact CH2-CZ 3.64Å; W81-F92 HydrophobicContact CZ2-CZ 4.12Å |
| 82 | F | 97.2 | Very high | 96 | Very high | 19 Ų | 19 | 50.1 Ų | 50.1 | 8% | 0.083 | 25% | 0.248 | C | C | . | . | trans | -61.6 | 137.5 | 179.5 | -176.5 | -117.1 | 0 | 0 | 0 | 111.3 | V78 P79 E84 K89 L90 W183 | V78-F82 HydrophobicContact CG1-CB 4.12Å; V78-F82 HydrophobicContact CG1-CD1 3.77Å; V78-F82 HydrophobicContact CG1-CG 4.23Å; P79-F82 WeakPolarHBondContact O-CB 3.46Å; P79-F82 PolarHBondContact O-N 3.3Å; F82-E84 HydrophobicContact CE1-CB 3.72Å; F82-E84 HydrophobicContact CE1-CG 4.46Å; F82-E84 HydrophobicContact CE2-CB 4.08Å; F82-E84 HydrophobicContact CE2-CG 3.93Å; F82-E84 HydrophobicContact CZ-CB 3.44Å; F82-E84 VanDerWaalsContact CZ-CB 3.44Å; F82-E84 HydrophobicContact CZ-CG 3.73Å; F82-K89 HydrophobicContact CZ-CB 4.29Å; F82-L90 HydrophobicContact CD2-CD1 3.51Å; F82-L90 HydrophobicContact CE2-CB 4.36Å; F82-L90 HydrophobicContact CE2-CD1 3.52Å; F82-L90 HydrophobicContact CG-CD1 4.15Å; F82-L90 HydrophobicContact CZ-CB 4.26Å; F82-L90 HydrophobicContact CZ-CD1 4.14Å; F82-W183 HydrophobicContact CD1-CZ2 4.14Å; F82-W183 AromaticContact CD1-NE1 3.94Å; F82-W183 PolarHBondContact O-NE1 3.12Å | ||
| 83 | K | 95.1 | Very high | 95.8 | Very high | 165 Ų | 165 | 55.2 Ų | 55.2 | 72% | 0.717 | 28% | 0.275 | S | S | * | . | trans | -114.7 | -13.4 | -166.5 | -62.7 | -56.7 | -175.7 | -179.1 | 0 | 115.4 | W81 P186 | W81-K83 WeakPolarHBondContact O-CE 3.49Å; W81-K83 WeakPolarHBondContact O-CG 3.47Å; K83-P186 WeakPolarHBondContact O-CG 3.44Å | ||
| 84 | E | 95.5 | Very high | 95.7 | Very high | 93 Ų | 93 | 55.5 Ų | 55.5 | 44% | 0.435 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -74.5 | 150.5 | 175.5 | -60.6 | -65.5 | 144.1 | 0 | 0 | 110.4 | F82 D86 K89 W183 | F82-E84 HydrophobicContact CE1-CB 3.72Å; F82-E84 HydrophobicContact CE1-CG 4.46Å; F82-E84 HydrophobicContact CE2-CB 4.08Å; F82-E84 HydrophobicContact CE2-CG 3.93Å; F82-E84 HydrophobicContact CZ-CB 3.44Å; F82-E84 VanDerWaalsContact CZ-CB 3.44Å; F82-E84 HydrophobicContact CZ-CG 3.73Å; E84-D86 VanDerWaalsContact C-N 3.27Å; E84-D86 PolarHBondContact O-N 3.12Å; E84-K89 HydrophobicContact CB-CB 4.11Å; E84-K89 HydrophobicContact CB-CD 3.81Å; E84-K89 HydrophobicContact CG-CB 4.09Å; E84-K89 HydrophobicContact CG-CD 4.12Å; E84-K89 IonicContact OE2-NZ 3.57Å; E84-W183 WeakPolarHBondContact O-CZ2 3.43Å |
| 85 | S | 93.3 | Very high | 95.6 | Very high | 44 Ų | 44 | 54.8 Ų | 54.8 | 31% | 0.308 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -69.3 | -20.4 | 179.3 | 49.7 | 0 | 0 | 0 | 0 | 115 | E187 | S85-E187 VanDerWaalsContact CB-CD 3.46Å; S85-E187 WeakPolarHBondContact CB-OE1 3.08Å; S85-E187 PolarHBondContact OG-OE1 2.96Å |
| 86 | D | 93.8 | Very high | 95.6 | Very high | 70 Ų | 70 | 55.6 Ų | 55.6 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | trans | -120.3 | 120.2 | -178.3 | -177.6 | -2.7 | 0 | 0 | 0 | 111.4 | E84 S88 K89 | E84-D86 VanDerWaalsContact C-N 3.27Å; E84-D86 PolarHBondContact O-N 3.12Å; D86-S88 PolarHBondContact O-N 3.3Å; D86-S88 WeakPolarHBondContact OD1-CB 3.28Å; D86-S88 PolarHBondContact OD1-N 3.25Å; D86-S88 PolarHBondContact OD1-OG 3.06Å; D86-S88 WeakPolarHBondContact OD2-CB 3.36Å; D86-S88 PolarHBondContact OD2-OG 3.21Å; D86-K89 HydrophobicContact CB-CD 4.14Å; D86-K89 HydrophobicContact CB-CG 4.26Å; D86-K89 WeakPolarHBondContact O-CB 3.49Å; D86-K89 PolarHBondContact O-N 2.93Å | ||
| 87 | P | 94.7 | Very high | 95.5 | Very high | 21 Ų | 21 | 55.5 Ų | 55.5 | 14% | 0.136 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -51.3 | -22.5 | 171.2 | -30.4 | 37.1 | 0 | 0 | 0 | 116.1 | R74 V78 K89 L90 W183 L192 | R74-P87 PolarHBondContact NH2-O 2.85Å; V78-P87 HydrophobicContact CG2-CB 3.85Å; V78-P87 HydrophobicContact CG2-CG 4.4Å; P87-K89 PolarHBondContact O-N 3.06Å; P87-L90 WeakPolarHBondContact O-CB 3.49Å; P87-L90 PolarHBondContact O-N 3.45Å; P87-W183 HydrophobicContact CG-CE3 4.28Å; P87-W183 HydrophobicContact CG-CH2 4.17Å; P87-W183 HydrophobicContact CG-CZ3 3.73Å; P87-L192 HydrophobicContact CB-CD2 4.21Å; P87-L192 HydrophobicContact CG-CD2 3.58Å |
| 88 | S | 93.6 | Very high | 95.5 | Very high | 67 Ų | 67 | 58.9 Ų | 58.9 | 47% | 0.469 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -67.7 | -24 | 177.2 | 82.3 | 0 | 0 | 0 | 0 | 112.8 | D86 L90 | D86-S88 PolarHBondContact O-N 3.3Å; D86-S88 WeakPolarHBondContact OD1-CB 3.28Å; D86-S88 PolarHBondContact OD1-N 3.25Å; D86-S88 PolarHBondContact OD1-OG 3.06Å; D86-S88 WeakPolarHBondContact OD2-CB 3.36Å; D86-S88 PolarHBondContact OD2-OG 3.21Å; S88-L90 PolarHBondContact O-N 3.27Å |
| 89 | K | 94.9 | Very high | 95.5 | Very high | 87 Ų | 87 | 59.6 Ų | 59.6 | 38% | 0.378 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -76.9 | -1 | 180 | -64.9 | 170.7 | 173.2 | 178.5 | 0 | 113.8 | F82 E84 D86 P87 Q91 | F82-K89 HydrophobicContact CZ-CB 4.29Å; E84-K89 HydrophobicContact CB-CB 4.11Å; E84-K89 HydrophobicContact CB-CD 3.81Å; E84-K89 HydrophobicContact CG-CB 4.09Å; E84-K89 HydrophobicContact CG-CD 4.12Å; E84-K89 IonicContact OE2-NZ 3.57Å; D86-K89 HydrophobicContact CB-CD 4.14Å; D86-K89 HydrophobicContact CB-CG 4.26Å; D86-K89 WeakPolarHBondContact O-CB 3.49Å; D86-K89 PolarHBondContact O-N 2.93Å; P87-K89 PolarHBondContact O-N 3.06Å; K89-Q91 PolarHBondContact O-N 3.05Å; K89-Q91 PolarHBondContact O-NE2 2.95Å |
| 90 | L | 94.5 | Very high | 95.4 | Very high | 26 Ų | 26 | 60.4 Ų | 60.4 | 14% | 0.136 | 30% | 0.301 | C | S | . | . | trans | -64.6 | 117.4 | 178.6 | -165.8 | 71.8 | 0 | 0 | 0 | 110.5 | F82 P87 S88 F92 T94 | F82-L90 HydrophobicContact CD2-CD1 3.51Å; F82-L90 HydrophobicContact CE2-CB 4.36Å; F82-L90 HydrophobicContact CE2-CD1 3.52Å; F82-L90 HydrophobicContact CG-CD1 4.15Å; F82-L90 HydrophobicContact CZ-CB 4.26Å; F82-L90 HydrophobicContact CZ-CD1 4.14Å; P87-L90 WeakPolarHBondContact O-CB 3.49Å; P87-L90 PolarHBondContact O-N 3.45Å; S88-L90 PolarHBondContact O-N 3.27Å; L90-F92 VanDerWaalsContact C-N 3.34Å; L90-F92 HydrophobicContact CD1-CD1 4.45Å; L90-F92 HydrophobicContact CD1-CE1 3.76Å; L90-F92 HydrophobicContact CD1-CE2 4.09Å; L90-F92 HydrophobicContact CD1-CZ 3.55Å; L90-F92 HydrophobicContact CD2-CE2 4.2Å; L90-F92 HydrophobicContact CD2-CZ 4.48Å; L90-F92 HydrophobicContact CG-CE1 4.31Å; L90-F92 HydrophobicContact CG-CE2 4.26Å; L90-F92 HydrophobicContact CG-CZ 4.15Å; L90-F92 PolarHBondContact O-N 3.49Å; L90-T94 HydrophobicContact CD2-CG2 4.04Å | ||
| 91 | Q | 91.8 | Very high | 95.3 | Very high | 176 Ų | 176 | 59.1 Ų | 59.1 | 82% | 0.822 | 29% | 0.29 | S | S | * | . | trans | -81.3 | -8.2 | -170.4 | -62 | -59.8 | -44.1 | 0 | 0 | 114.8 | K89 | K89-Q91 PolarHBondContact O-N 3.05Å; K89-Q91 PolarHBondContact O-NE2 2.95Å | ||
| 92 | F | 90.6 | Very high | 95.3 | Very high | 91 Ų | 91 | 54.3 Ų | 54.3 | 40% | 0.399 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -125.6 | 149.1 | -176.9 | 53.5 | -92.5 | 0 | 0 | 0 | 111.6 | P79 W81 L90 T94 | P79-F92 HydrophobicContact CG-CE2 4.34Å; P79-F92 HydrophobicContact CG-CZ 4.21Å; W81-F92 HydrophobicContact CH2-CE1 4.01Å; W81-F92 AromaticContact CH2-CZ 3.64Å; W81-F92 HydrophobicContact CH2-CZ 3.64Å; W81-F92 HydrophobicContact CZ2-CZ 4.12Å; L90-F92 VanDerWaalsContact C-N 3.34Å; L90-F92 HydrophobicContact CD1-CD1 4.45Å; L90-F92 HydrophobicContact CD1-CE1 3.76Å; L90-F92 HydrophobicContact CD1-CE2 4.09Å; L90-F92 HydrophobicContact CD1-CZ 3.55Å; L90-F92 HydrophobicContact CD2-CE2 4.2Å; L90-F92 HydrophobicContact CD2-CZ 4.48Å; L90-F92 HydrophobicContact CG-CE1 4.31Å; L90-F92 HydrophobicContact CG-CE2 4.26Å; L90-F92 HydrophobicContact CG-CZ 4.15Å; L90-F92 PolarHBondContact O-N 3.49Å; F92-T94 HydrophobicContact CD2-CG2 3.55Å; F92-T94 HydrophobicContact CE2-CG2 3.47Å; F92-T94 VanDerWaalsContact CE2-CG2 3.47Å; F92-T94 PolarHBondContact O-N 3.11Å |
| 93 | N | 92.8 | Very high | 95.3 | Very high | 115 Ų | 115 | 55.1 Ų | 55.1 | 62% | 0.615 | 28% | 0.277 | S | S | * | . | trans | -80.1 | 117.7 | -175.2 | -170.4 | -24.3 | 0 | 0 | 0 | 111.4 | T95 | N93-T95 WeakPolarHBondContact OD1-CB 3.27Å; N93-T95 PolarHBondContact OD1-N 3.42Å; N93-T95 PolarHBondContact OD1-OG1 3.23Å | ||
| 94 | T | 96.8 | Very high | 95.4 | Very high | 6 Ų | 6 | 53 Ų | 53 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | trans | -116 | 17.9 | 176 | 54.9 | 0 | 0 | 0 | 0 | 112.9 | L77 L90 F92 N96 T196 | L77-T94 PolarHBondContact N-O 3.35Å; L77-T94 PolarHBondContact N-OG1 3.39Å; L77-T94 VanDerWaalsContact N-OG1 3.1Å; L77-T94 WeakPolarHBondContact O-CB 3.41Å; L77-T94 WeakPolarHBondContact O-CG2 3.36Å; L77-T94 PolarHBondContact O-OG1 3.46Å; L90-T94 HydrophobicContact CD2-CG2 4.04Å; F92-T94 HydrophobicContact CD2-CG2 3.55Å; F92-T94 HydrophobicContact CE2-CG2 3.47Å; F92-T94 VanDerWaalsContact CE2-CG2 3.47Å; F92-T94 PolarHBondContact O-N 3.11Å; T94-N96 VanDerWaalsContact C-N 3.27Å; T94-N96 PolarHBondContact O-N 3.36Å; T94-T196 WeakPolarHBondContact O-CB 3.18Å; T94-T196 PolarHBondContact O-OG1 2.68Å | ||
| 95 | T | 97.7 | Very high | 95.4 | Very high | 15 Ų | 15 | 53.1 Ų | 53.1 | 9% | 0.092 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -60.9 | -39.7 | 174.2 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | P46 W75 N93 T196 I197 | P46-T95 HydrophobicContact CB-CG2 4.26Å; P46-T95 HydrophobicContact CG-CG2 3.63Å; W75-T95 HydrophobicContact CD2-CG2 4.42Å; W75-T95 VanDerWaalsContact CE2-CG2 3.49Å; W75-T95 HydrophobicContact CZ2-CG2 3.7Å; W75-T95 PolarHBondContact NE1-O 3.09Å; N93-T95 WeakPolarHBondContact OD1-CB 3.27Å; N93-T95 PolarHBondContact OD1-N 3.42Å; N93-T95 PolarHBondContact OD1-OG1 3.23Å; T95-T196 PolarHBondContact O-OG1 3.32Å; T95-I197 PolarHBondContact O-N 3.48Å; T95-I197 VanDerWaalsContact O-N 3.11Å |
| 96 | N | 98.3 | Very high | 95.5 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 151.6 | 179 | -56.1 | 109.4 | 0 | 0 | 0 | 111.6 | M1 C2 T94 T196 I197 T199 | M1-N96 HydrophobicContact SD-CB 3.89Å; C2-N96 PolarHBondContact O-ND2 3.38Å; C2-N96 PolarHBondContact O-OD1 3.05Å; C2-N96 PolarHBondContact SG-ND2 3.27Å; T94-N96 VanDerWaalsContact C-N 3.27Å; T94-N96 PolarHBondContact O-N 3.36Å; N96-T196 VanDerWaalsContact CA-OG1 3.26Å; N96-T196 WeakPolarHBondContact CA-OG1 3.21Å; N96-T196 PolarHBondContact N-OG1 3.06Å; N96-I197 CarbonylContact C-O 3.52Å; N96-I197 WeakPolarHBondContact CA-O 3.34Å; N96-T199 HydrophobicContact CB-CG2 3.87Å |
| 97 | C | 97 | Very high | 95.7 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 138.1 | 167.7 | 176.7 | 0 | 0 | 0 | 0 | 108.9 | I102 F108 T196 I197 I198 T199 | C97-I102 VanDerWaalsContact SG-CG1 3.58Å; C97-F108 HydrophobicContact CB-CD1 4.14Å; C97-F108 HydrophobicContact CB-CD2 3.91Å; C97-F108 HydrophobicContact CB-CE1 4.07Å; C97-F108 HydrophobicContact CB-CE2 3.83Å; C97-F108 HydrophobicContact CB-CG 4.06Å; C97-F108 HydrophobicContact CB-CZ 3.91Å; C97-F108 WeakPolarHBondContact SG-CD2 3.44Å; C97-F108 VanDerWaalsContact SG-CE2 3.58Å; C97-F108 VanDerWaalsContact SG-CG 3.54Å; C97-T196 HydrophobicContact CB-CG2 3.78Å; C97-T196 PolarHBondContact N-OG1 3.11Å; C97-I197 PolarHBondContact N-O 3.32Å; C97-I198 CarbonylContact O-C 3.57Å; C97-I198 WeakPolarHBondContact O-CA 3.17Å; C97-T199 PolarHBondContact O-N 3.42Å; C97-T199 PolarHBondContact O-OG1 3.17Å |
| 98 | R | 98.2 | Very high | 95.8 | Very high | 70 Ų | 70 | 56.5 Ų | 56.5 | 26% | 0.264 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 136.4 | 173.1 | -59.8 | 173.9 | 58.8 | 90.5 | 0.6 | 109.2 | D100 T101 I102 | R98-D100 VanDerWaalsContact C-N 3.27Å; R98-D100 WeakPolarHBondContact CB-OD1 3.24Å; R98-D100 IonicContact CZ-OD2 3.11Å; R98-D100 VanDerWaalsContact CZ-OD2 3.28Å; R98-D100 IonicContact NE-OD1 3.59Å; R98-D100 PolarHBondContact NE-OD1 3.48Å; R98-D100 VanDerWaalsContact NE-OD1 3.11Å; R98-D100 IonicContact NE-OD2 2.73Å; R98-D100 PolarHBondContact NE-OD2 3.45Å; R98-D100 IonicContact NH2-OD2 2.71Å; R98-D100 PolarHBondContact NH2-OD2 3.4Å; R98-D100 PolarHBondContact O-N 2.94Å; R98-T101 PolarHBondContact O-N 3.18Å; R98-I102 PolarHBondContact O-N 3.38Å |
| 99 | S | 98 | Very high | 96 | Very high | 15 Ų | 15 | 58.5 Ų | 58.5 | 11% | 0.105 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -57.8 | -38.4 | 177.7 | 57.8 | 0 | 0 | 0 | 0 | 113.1 | T101 I102 T199 | S99-T101 VanDerWaalsContact C-N 3.29Å; S99-T101 PolarHBondContact O-N 3.38Å; S99-I102 WeakPolarHBondContact O-CG2 3.28Å; S99-T199 PolarHBondContact N-O 2.98Å; S99-T199 PolarHBondContact OG-O 3.03Å |
| 100 | D | 95.9 | Very high | 96.2 | Very high | 18 Ų | 18 | 57 Ų | 57 | 10% | 0.096 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -63.1 | -28.7 | -178.5 | 57.6 | 9.2 | 0 | 0 | 0 | 114.8 | R98 | R98-D100 VanDerWaalsContact C-N 3.27Å; R98-D100 WeakPolarHBondContact CB-OD1 3.24Å; R98-D100 IonicContact CZ-OD2 3.11Å; R98-D100 VanDerWaalsContact CZ-OD2 3.28Å; R98-D100 IonicContact NE-OD1 3.59Å; R98-D100 PolarHBondContact NE-OD1 3.48Å; R98-D100 VanDerWaalsContact NE-OD1 3.11Å; R98-D100 IonicContact NE-OD2 2.73Å; R98-D100 PolarHBondContact NE-OD2 3.45Å; R98-D100 IonicContact NH2-OD2 2.71Å; R98-D100 PolarHBondContact NH2-OD2 3.4Å; R98-D100 PolarHBondContact O-N 2.94Å |
| 101 | T | 96.3 | Very high | 96.4 | Very high | 23 Ų | 23 | 55.7 Ų | 55.7 | 14% | 0.141 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -117.3 | 9.6 | -173.8 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | R98 S99 M103 E104 K105 | R98-T101 PolarHBondContact O-N 3.18Å; S99-T101 VanDerWaalsContact C-N 3.29Å; S99-T101 PolarHBondContact O-N 3.38Å; T101-M103 VanDerWaalsContact C-N 3.29Å; T101-M103 PolarHBondContact O-N 2.7Å; T101-E104 PolarHBondContact O-N 2.75Å; T101-E104 VanDerWaalsContact O-N 3.16Å; T101-K105 PolarHBondContact O-N 3.26Å |
| 102 | I | 96.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -36.1 | -174.7 | -161.2 | 165.1 | 0 | 0 | 0 | 112.6 | C97 R98 S99 F108 K109 L112 I179 I198 L238 | C97-I102 VanDerWaalsContact SG-CG1 3.58Å; R98-I102 PolarHBondContact O-N 3.38Å; S99-I102 WeakPolarHBondContact O-CG2 3.28Å; I102-F108 HydrophobicContact CG1-CB 4.11Å; I102-K109 PolarHBondContact O-N 3.45Å; I102-L112 HydrophobicContact CD1-CD2 4.34Å; I102-L112 HydrophobicContact CG1-CD2 4.28Å; I102-I179 HydrophobicContact CD1-CD1 3.41Å; I102-I179 VanDerWaalsContact CD1-CD1 3.41Å; I102-I179 HydrophobicContact CG1-CD1 3.72Å; I102-I198 HydrophobicContact CD1-CD1 3.66Å; I102-I198 HydrophobicContact CD1-CG1 3.99Å; I102-I198 HydrophobicContact CD1-CG2 4.43Å; I102-L238 HydrophobicContact CD1-CD2 4.28Å; I102-L238 HydrophobicContact CG2-CD2 4.02Å |
| 103 | M | 96.8 | Very high | 97.1 | Very high | 35 Ų | 35 | 45.9 Ų | 45.9 | 17% | 0.172 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -9.2 | -179.8 | -63.4 | -53.6 | -75.4 | 0 | 0 | 113.8 | T101 K109 L112 T234 L238 W337 | T101-M103 VanDerWaalsContact C-N 3.29Å; T101-M103 PolarHBondContact O-N 2.7Å; M103-K109 HydrophobicContact CE-CG 4.38Å; M103-K109 VanDerWaalsContact O-CD 3.26Å; M103-K109 WeakPolarHBondContact O-CD 3.29Å; M103-L112 HydrophobicContact SD-CD2 3.71Å; M103-T234 HydrophobicContact CE-CG2 4.42Å; M103-T234 HydrophobicContact SD-CG2 4.39Å; M103-L238 HydrophobicContact CG-CD1 4.04Å; M103-L238 HydrophobicContact SD-CD1 3.86Å; M103-W337 HydrophobicContact CE-CH2 4.23Å; M103-W337 HydrophobicContact CE-CZ2 3.88Å |
| 104 | E | 96.5 | Very high | 97.3 | Very high | 121 Ų | 121 | 45.4 Ų | 45.4 | 57% | 0.565 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -34.9 | 179.7 | -58.5 | 178.2 | 174.6 | 0 | 0 | 111.2 | T101 | T101-E104 PolarHBondContact O-N 2.75Å; T101-E104 VanDerWaalsContact O-N 3.16Å |
| 105 | K | 95.8 | Very high | 97.4 | Very high | 96 Ų | 96 | 45.3 Ų | 45.3 | 42% | 0.417 | 23% | 0.226 | S | C | . | . | trans | -88.4 | 117.7 | -174.1 | -67.4 | -179.2 | -179.7 | -179.4 | 0 | 111.5 | T101 S107 F108 K109 | T101-K105 PolarHBondContact O-N 3.26Å; K105-S107 PolarHBondContact O-N 2.98Å; K105-S107 VanDerWaalsContact O-N 3.14Å; K105-F108 HydrophobicContact CB-CD2 3.65Å; K105-F108 HydrophobicContact CB-CE2 4.16Å; K105-F108 HydrophobicContact CD-CD2 3.92Å; K105-F108 HydrophobicContact CD-CE2 3.68Å; K105-F108 HydrophobicContact CG-CD2 4.41Å; K105-F108 PolarHBondContact O-N 3.36Å; K105-K109 WeakPolarHBondContact O-CB 3.46Å; K105-K109 PolarHBondContact O-N 3.49Å | ||
| 106 | R | 95.8 | Very high | 97.5 | Very high | 179 Ų | 179 | 46.9 Ų | 46.9 | 68% | 0.675 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -51.5 | -39.7 | 179.9 | -169.7 | 179.4 | -175.6 | -179.5 | 1.2 | 113.5 | F108 V110 | R106-F108 PolarHBondContact O-N 2.87Å; R106-F108 VanDerWaalsContact O-N 3.13Å; R106-V110 HydrophobicContact CG-CG2 3.73Å; R106-V110 WeakPolarHBondContact O-CB 3.49Å; R106-V110 WeakPolarHBondContact O-CG2 3.42Å; R106-V110 PolarHBondContact O-N 3.43Å |
| 107 | S | 96.9 | Very high | 97.5 | Very high | 17 Ų | 17 | 46.2 Ų | 46.2 | 12% | 0.119 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.4 | -19.7 | 179.4 | -50.7 | 0 | 0 | 0 | 0 | 114.2 | K105 P111 | K105-S107 PolarHBondContact O-N 2.98Å; K105-S107 VanDerWaalsContact O-N 3.14Å; S107-P111 VanDerWaalsContact O-CG 3.25Å; S107-P111 WeakPolarHBondContact O-CG 3.22Å |
| 108 | F | 97.9 | Very high | 97.6 | Very high | 9 Ų | 9 | 46.1 Ų | 46.1 | 4% | 0.039 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -115.6 | -42.2 | -179.2 | -48.7 | -49.3 | 0 | 0 | 0 | 111.6 | L77 C97 I102 K105 R106 V110 P111 L112 I179 T196 | L77-F108 HydrophobicContact CD1-CD1 4.29Å; C97-F108 HydrophobicContact CB-CD1 4.14Å; C97-F108 HydrophobicContact CB-CD2 3.91Å; C97-F108 HydrophobicContact CB-CE1 4.07Å; C97-F108 HydrophobicContact CB-CE2 3.83Å; C97-F108 HydrophobicContact CB-CG 4.06Å; C97-F108 HydrophobicContact CB-CZ 3.91Å; C97-F108 WeakPolarHBondContact SG-CD2 3.44Å; C97-F108 VanDerWaalsContact SG-CE2 3.58Å; C97-F108 VanDerWaalsContact SG-CG 3.54Å; I102-F108 HydrophobicContact CG1-CB 4.11Å; K105-F108 HydrophobicContact CB-CD2 3.65Å; K105-F108 HydrophobicContact CB-CE2 4.16Å; K105-F108 HydrophobicContact CD-CD2 3.92Å; K105-F108 HydrophobicContact CD-CE2 3.68Å; K105-F108 HydrophobicContact CG-CD2 4.41Å; K105-F108 PolarHBondContact O-N 3.36Å; R106-F108 PolarHBondContact O-N 2.87Å; R106-F108 VanDerWaalsContact O-N 3.13Å; F108-V110 VanDerWaalsContact C-N 3.35Å; F108-V110 PolarHBondContact O-N 3.11Å; F108-P111 WeakPolarHBondContact O-CD 3.37Å; F108-P111 WeakPolarHBondContact O-CG 3.4Å; F108-L112 WeakPolarHBondContact O-CB 3.29Å; F108-L112 PolarHBondContact O-N 3.44Å; F108-I179 HydrophobicContact CB-CD1 4.21Å; F108-T196 HydrophobicContact CD1-CG2 3.89Å; F108-T196 HydrophobicContact CE1-CG2 3.82Å |
| 109 | K | 98.1 | Very high | 97.6 | Very high | 109 Ų | 109 | 42.8 Ų | 42.8 | 47% | 0.474 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.6 | -45.2 | 178.3 | -170.9 | -167 | -169.5 | 168.7 | 0 | 112.6 | I102 M103 K105 G113 | I102-K109 PolarHBondContact O-N 3.45Å; M103-K109 HydrophobicContact CE-CG 4.38Å; M103-K109 VanDerWaalsContact O-CD 3.26Å; M103-K109 WeakPolarHBondContact O-CD 3.29Å; K105-K109 WeakPolarHBondContact O-CB 3.46Å; K105-K109 PolarHBondContact O-N 3.49Å; K109-G113 PolarHBondContact O-N 3.33Å |
| 110 | V | 98.3 | Very high | 97.7 | Very high | 55 Ų | 55 | 42 Ų | 42 | 33% | 0.333 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.9 | -54.4 | -177.4 | 173.8 | 0 | 0 | 0 | 0 | 111.9 | R106 F108 L112 G113 K114 | R106-V110 HydrophobicContact CG-CG2 3.73Å; R106-V110 WeakPolarHBondContact O-CB 3.49Å; R106-V110 WeakPolarHBondContact O-CG2 3.42Å; R106-V110 PolarHBondContact O-N 3.43Å; F108-V110 VanDerWaalsContact C-N 3.35Å; F108-V110 PolarHBondContact O-N 3.11Å; V110-L112 VanDerWaalsContact C-N 3.33Å; V110-L112 PolarHBondContact O-N 3.24Å; V110-G113 PolarHBondContact O-N 3.26Å; V110-K114 WeakPolarHBondContact O-CG 3.26Å; V110-K114 PolarHBondContact O-N 2.89Å |
| 111 | P | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.6 | -38.6 | 176.4 | 17.8 | -28 | 0 | 0 | 0 | 112.8 | L77 S107 F108 G113 K114 G115 R116 I179 F180 D181 | L77-P111 HydrophobicContact CD1-CG 4.49Å; S107-P111 VanDerWaalsContact O-CG 3.25Å; S107-P111 WeakPolarHBondContact O-CG 3.22Å; F108-P111 WeakPolarHBondContact O-CD 3.37Å; F108-P111 WeakPolarHBondContact O-CG 3.4Å; P111-G113 VanDerWaalsContact C-N 3.33Å; P111-G113 PolarHBondContact O-N 3.29Å; P111-K114 CarbonylContact O-C 3.53Å; P111-K114 WeakPolarHBondContact O-CA 3.42Å; P111-K114 WeakPolarHBondContact O-CB 3.32Å; P111-K114 PolarHBondContact O-N 2.95Å; P111-G115 PolarHBondContact O-N 2.75Å; P111-R116 HydrophobicContact CB-CB 4.04Å; P111-R116 HydrophobicContact CB-CG 4.46Å; P111-R116 VanDerWaalsContact O-CB 3.31Å; P111-R116 WeakPolarHBondContact O-CB 3.24Å; P111-R116 PolarHBondContact O-N 3.08Å; P111-I179 HydrophobicContact CB-CG2 3.78Å; P111-I179 HydrophobicContact CG-CG2 3.73Å; P111-F180 WeakPolarHBondContact CB-O 3.12Å; P111-D181 HydrophobicContact CB-CB 4.31Å; P111-D181 HydrophobicContact CG-CB 4.46Å |
| 112 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.9 | -42.1 | 175.3 | -173.7 | 63 | 0 | 0 | 0 | 112.2 | I102 M103 F108 V110 K114 G115 R117 I179 W226 T234 L238 | I102-L112 HydrophobicContact CD1-CD2 4.34Å; I102-L112 HydrophobicContact CG1-CD2 4.28Å; M103-L112 HydrophobicContact SD-CD2 3.71Å; F108-L112 WeakPolarHBondContact O-CB 3.29Å; F108-L112 PolarHBondContact O-N 3.44Å; V110-L112 VanDerWaalsContact C-N 3.33Å; V110-L112 PolarHBondContact O-N 3.24Å; L112-K114 PolarHBondContact O-N 3.4Å; L112-G115 WeakPolarHBondContact O-CA 3.24Å; L112-G115 PolarHBondContact O-N 3.49Å; L112-R117 HydrophobicContact CD1-CG 3.74Å; L112-I179 HydrophobicContact CB-CD1 4.06Å; L112-I179 HydrophobicContact CD1-CD1 4.12Å; L112-I179 HydrophobicContact CD1-CG1 4.21Å; L112-I179 HydrophobicContact CD2-CD1 4.31Å; L112-I179 HydrophobicContact CG-CD1 4.4Å; L112-W226 HydrophobicContact CD1-CH2 4.37Å; L112-T234 HydrophobicContact CD1-CG2 4.29Å; L112-T234 HydrophobicContact CD2-CG2 3.63Å; L112-T234 HydrophobicContact CG-CG2 3.62Å; L112-T234 PolarHBondContact O-OG1 3.16Å; L112-L238 HydrophobicContact CD2-CD1 4.36Å; L112-L238 HydrophobicContact CD2-CD2 4.21Å; L112-L238 HydrophobicContact CD2-CG 4.5Å |
| 113 | G | 98.1 | Very high | 98 | Very high | 61 Ų | 61 | 40.1 Ų | 40.1 | 63% | 0.629 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -65.9 | -21.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | K109 V110 P111 | K109-G113 PolarHBondContact O-N 3.33Å; V110-G113 PolarHBondContact O-N 3.26Å; P111-G113 VanDerWaalsContact C-N 3.33Å; P111-G113 PolarHBondContact O-N 3.29Å |
| 114 | K | 98.4 | Very high | 98.1 | Very high | 104 Ų | 104 | 38.5 Ų | 38.5 | 45% | 0.452 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 8.6 | 170.5 | -64.8 | 176.4 | -179.9 | -179.2 | 0 | 112.7 | V110 P111 L112 R116 | V110-K114 WeakPolarHBondContact O-CG 3.26Å; V110-K114 PolarHBondContact O-N 2.89Å; P111-K114 CarbonylContact O-C 3.53Å; P111-K114 WeakPolarHBondContact O-CA 3.42Å; P111-K114 WeakPolarHBondContact O-CB 3.32Å; P111-K114 PolarHBondContact O-N 2.95Å; L112-K114 PolarHBondContact O-N 3.4Å; K114-R116 HydrophobicContact CB-CG 4.1Å; K114-R116 PolarHBondContact O-N 3.15Å |
| 115 | G | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 32.8 Ų | 32.8 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 12.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | H58 P111 L112 R117 | H58-G115 PolarHBondContact CE1-O 3.01Å; H58-G115 VanDerWaalsContact CE1-O 3.25Å; H58-G115 PolarHBondContact NE2-O 2.84Å; P111-G115 PolarHBondContact O-N 2.75Å; L112-G115 WeakPolarHBondContact O-CA 3.24Å; L112-G115 PolarHBondContact O-N 3.49Å; G115-R117 PolarHBondContact O-N 2.82Å |
| 116 | R | 98.8 | Very high | 98.4 | Very high | 48 Ų | 48 | 28.2 Ų | 28.2 | 18% | 0.181 | 14% | 0.142 | C | C | . | . | trans | -74.5 | 65 | -175.9 | -63 | -176.6 | 168.7 | 173.5 | -10.6 | 112.4 | P111 K114 I179 F180 D181 C182 | P111-R116 HydrophobicContact CB-CB 4.04Å; P111-R116 HydrophobicContact CB-CG 4.46Å; P111-R116 VanDerWaalsContact O-CB 3.31Å; P111-R116 WeakPolarHBondContact O-CB 3.24Å; P111-R116 PolarHBondContact O-N 3.08Å; K114-R116 HydrophobicContact CB-CG 4.1Å; K114-R116 PolarHBondContact O-N 3.15Å; R116-I179 WeakPolarHBondContact O-CA 3.46Å; R116-F180 VanDerWaalsContact C-CD1 3.44Å; R116-F180 VanDerWaalsContact C-CE1 3.42Å; R116-F180 HydrophobicContact CB-CD1 3.77Å; R116-F180 HydrophobicContact CB-CD2 4.1Å; R116-F180 HydrophobicContact CB-CE1 3.59Å; R116-F180 HydrophobicContact CB-CE2 3.93Å; R116-F180 HydrophobicContact CB-CG 4.03Å; R116-F180 HydrophobicContact CB-CZ 3.67Å; R116-F180 WeakPolarHBondContact CB-O 3.38Å; R116-F180 WeakPolarHBondContact CD-O 3.33Å; R116-F180 HydrophobicContact CG-CD2 4.32Å; R116-F180 HydrophobicContact CG-CE1 4.17Å; R116-F180 HydrophobicContact CG-CE2 3.79Å; R116-F180 HydrophobicContact CG-CZ 3.71Å; R116-F180 WeakPolarHBondContact O-CD1 3.21Å; R116-F180 PolarHBondContact O-N 2.76Å; R116-D181 IonicContact CZ-OD1 3.52Å; R116-D181 IonicContact NH1-OD1 3.56Å; R116-D181 PolarHBondContact NH1-OD1 3.12Å; R116-C182 VanDerWaalsContact CZ-SG 3.56Å | ||
| 117 | R | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.008 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 135.1 | 178.2 | -59.4 | -170.3 | -53 | -116.6 | 12.7 | 108.4 | L112 G115 K225 W226 D228 F229 V232 | L112-R117 HydrophobicContact CD1-CG 3.74Å; G115-R117 PolarHBondContact O-N 2.82Å; R117-K225 PolarHBondContact NH2-O 2.69Å; R117-W226 HydrophobicContact CB-CD2 4.37Å; R117-W226 HydrophobicContact CB-CZ2 4.13Å; R117-W226 WeakPolarHBondContact CB-O 3.2Å; R117-W226 HydrophobicContact CG-CH2 4.41Å; R117-W226 HydrophobicContact CG-CZ2 4.05Å; R117-W226 PolarHBondContact NE-O 3.38Å; R117-W226 PolarHBondContact NH2-O 3.18Å; R117-D228 VanDerWaalsContact NH2-C 3.32Å; R117-D228 PolarHBondContact NH2-O 3.13Å; R117-D228 VanDerWaalsContact NH2-O 3.15Å; R117-F229 VanDerWaalsContact NH2-CA 3.25Å; R117-V232 PolarHBondContact NH1-O 3.41Å; R117-V232 PolarHBondContact NH2-O 3.25Å |
| 118 | C | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 160.9 | 175.6 | 62.1 | 0 | 0 | 0 | 0 | 110.9 | V52 L53 L54 G178 F180 W226 | V52-C118 HydrophobicContact CB-CB 4.1Å; V52-C118 HydrophobicContact CG2-CB 3.85Å; L53-C118 CarbonylContact O-C 3.59Å; L53-C118 WeakPolarHBondContact O-CA 3.24Å; L53-C118 WeakPolarHBondContact O-CB 3.47Å; L54-C118 HydrophobicContact CB-CB 4.45Å; C118-G178 PolarHBondContact N-O 2.97Å; C118-G178 WeakPolarHBondContact O-CA 3.22Å; C118-G178 PolarHBondContact O-N 2.74Å; C118-G178 VanDerWaalsContact O-O 3.13Å; C118-G178 VanDerWaalsContact SG-C 3.6Å; C118-F180 HydrophobicContact CB-CD1 3.97Å; C118-W226 PolarHBondContact O-NE1 2.97Å |
| 119 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 112.7 | 169.5 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | V52 L53 L121 T175 M176 L217 V223 L227 | V52-V119 CarbonylContact C-O 3.54Å; V52-V119 WeakPolarHBondContact CA-O 3.5Å; V52-V119 WeakPolarHBondContact CB-O 3.38Å; L53-V119 HydrophobicContact CB-CB 4.23Å; L53-V119 PolarHBondContact N-O 3.2Å; L53-V119 PolarHBondContact O-N 3.17Å; V119-L121 HydrophobicContact CG1-CD2 4.45Å; V119-T175 HydrophobicContact CG1-CG2 3.77Å; V119-M176 CarbonylContact C-O 3.6Å; V119-M176 WeakPolarHBondContact CA-O 3.42Å; V119-L217 HydrophobicContact CG2-CD1 3.61Å; V119-V223 HydrophobicContact CG2-CG1 4.19Å; V119-L227 HydrophobicContact CB-CD2 4.38Å; V119-L227 HydrophobicContact CG2-CD1 4.3Å; V119-L227 HydrophobicContact CG2-CD2 3.77Å; V119-L227 HydrophobicContact CG2-CG 3.89Å |
| 120 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 123.5 | 178.4 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | N50 V52 M176 Y195 I197 | N50-V120 WeakPolarHBondContact ND2-CG1 3.38Å; V52-V120 HydrophobicContact CG1-CB 4.33Å; V52-V120 HydrophobicContact CG1-CG1 4.35Å; V52-V120 HydrophobicContact CG1-CG2 4.03Å; V120-M176 HydrophobicContact CB-CB 4.3Å; V120-M176 HydrophobicContact CB-CE 4.28Å; V120-M176 HydrophobicContact CG1-CE 4.03Å; V120-M176 PolarHBondContact N-O 2.94Å; V120-M176 PolarHBondContact O-N 3.06Å; V120-Y195 HydrophobicContact CB-CE2 4.17Å; V120-Y195 HydrophobicContact CG1-CD2 4.42Å; V120-Y195 HydrophobicContact CG1-CE2 3.58Å; V120-Y195 HydrophobicContact CG2-CD2 3.43Å; V120-Y195 VanDerWaalsContact CG2-CD2 3.43Å; V120-Y195 HydrophobicContact CG2-CE2 3.44Å; V120-Y195 VanDerWaalsContact CG2-CE2 3.44Å; V120-Y195 HydrophobicContact CG2-CG 4.25Å; V120-I197 HydrophobicContact CG1-CD1 4.42Å; V120-I197 HydrophobicContact CG2-CG1 4.23Å |
| 121 | L | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 138.3 | -178.2 | -58 | 175 | 0 | 0 | 0 | 110.7 | C18 N50 P51 L53 I70 V119 T175 | C18-L121 VanDerWaalsContact SG-CD1 3.52Å; N50-L121 PolarHBondContact ND2-O 3.38Å; P51-L121 HydrophobicContact CB-CD1 4.43Å; P51-L121 HydrophobicContact CG-CB 4.41Å; P51-L121 PolarHBondContact O-N 3.22Å; P51-L121 VanDerWaalsContact O-N 3.16Å; L53-L121 HydrophobicContact CD1-CD2 4.21Å; L53-L121 HydrophobicContact CD2-CD1 4.22Å; L53-L121 HydrophobicContact CG-CD1 4.13Å; L53-L121 HydrophobicContact CG-CD2 4.18Å; L53-L121 HydrophobicContact CG-CG 4.35Å; I70-L121 HydrophobicContact CD1-CD1 3.75Å; I70-L121 HydrophobicContact CG1-CD1 4.45Å; V119-L121 HydrophobicContact CG1-CD2 4.45Å; L121-T175 HydrophobicContact CD2-CG2 4.23Å |
| 122 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 156 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | T5 S6 L173 L174 M176 | T5-A122 HydrophobicContact CG2-CB 4.23Å; S6-A122 CarbonylContact O-C 3.55Å; S6-A122 WeakPolarHBondContact O-CA 3.27Å; S6-A122 WeakPolarHBondContact O-CB 3.45Å; A122-L173 CarbonylContact O-C 3.56Å; A122-L174 HydrophobicContact CB-CB 4.47Å; A122-L174 PolarHBondContact N-O 2.8Å; A122-L174 VanDerWaalsContact N-O 3.08Å; A122-L174 WeakPolarHBondContact O-CB 3.34Å; A122-L174 PolarHBondContact O-N 2.97Å; A122-M176 HydrophobicContact CB-CE 3.7Å |
| 123 | D | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -64.2 | -40.9 | 165.1 | -45.4 | -35 | 0 | 0 | 0 | 108.8 | S6 C7 H8 F141 W168 W171 | S6-D123 WeakPolarHBondContact CB-OD2 3.35Å; S6-D123 PolarHBondContact O-N 2.95Å; S6-D123 PolarHBondContact OG-OD2 3.21Å; C7-D123 VanDerWaalsContact CA-OD2 3.27Å; C7-D123 WeakPolarHBondContact CA-OD2 3.46Å; C7-D123 PolarHBondContact N-OD2 3.31Å; H8-D123 IonicContact CE1-OD2 2.75Å; H8-D123 IonicContact CG-OD2 3.08Å; H8-D123 PolarHBondContact N-OD2 2.79Å; H8-D123 IonicContact ND1-OD1 3.11Å; H8-D123 IonicContact ND1-OD2 3.17Å; H8-D123 PolarHBondContact ND1-OD2 2.6Å; D123-F141 HydrophobicContact CB-CZ 4.19Å; D123-W168 HydrophobicContact CB-CH2 4.41Å; D123-W168 HydrophobicContact CB-CZ3 3.98Å; D123-W171 PolarHBondContact O-NE1 3.26Å |
| 124 | G | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.7 | 179.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | T5 S6 F141 I142 | T5-G124 WeakPolarHBondContact CA-O 3.43Å; S6-G124 PolarHBondContact N-O 2.86Å; G124-F141 VanDerWaalsContact C-CE2 3.49Å; G124-F141 VanDerWaalsContact CA-CE2 3.49Å; G124-I142 CarbonylContact C-O 3.48Å; G124-I142 VanDerWaalsContact CA-O 3.22Å; G124-I142 WeakPolarHBondContact CA-O 3.32Å |
| 125 | F | 98.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 157.9 | 176.7 | 74.3 | -80.8 | 0 | 0 | 0 | 111.9 | C2 T5 E127 I142 L174 L206 P214 | C2-F125 HydrophobicContact CB-CB 4.48Å; C2-F125 HydrophobicContact CB-CD2 3.67Å; C2-F125 HydrophobicContact CB-CE2 4.22Å; C2-F125 HydrophobicContact CB-CG 4.28Å; T5-F125 HydrophobicContact CG2-CB 3.94Å; F125-E127 HydrophobicContact CE2-CB 4.21Å; F125-I142 HydrophobicContact CD1-CB 4Å; F125-I142 HydrophobicContact CD1-CG2 4.19Å; F125-I142 HydrophobicContact CD2-CD1 4.26Å; F125-I142 HydrophobicContact CE1-CB 3.61Å; F125-I142 HydrophobicContact CE1-CD1 4.38Å; F125-I142 HydrophobicContact CE1-CG2 3.38Å; F125-I142 HydrophobicContact CE2-CB 4.19Å; F125-I142 HydrophobicContact CE2-CD1 3.5Å; F125-I142 HydrophobicContact CE2-CG1 4.41Å; F125-I142 HydrophobicContact CE2-CG2 4.46Å; F125-I142 HydrophobicContact CG-CB 4.46Å; F125-I142 HydrophobicContact CZ-CB 3.71Å; F125-I142 HydrophobicContact CZ-CD1 3.58Å; F125-I142 HydrophobicContact CZ-CG1 4.25Å; F125-I142 HydrophobicContact CZ-CG2 3.54Å; F125-I142 PolarHBondContact N-O 2.55Å; F125-I142 PolarHBondContact O-N 3.28Å; F125-L174 HydrophobicContact CD1-CD2 3.53Å; F125-L174 HydrophobicContact CE1-CD2 4.15Å; F125-L206 HydrophobicContact CZ-CD1 4.45Å; F125-P214 HydrophobicContact CD1-CG 3.96Å; F125-P214 HydrophobicContact CD2-CG 4.28Å; F125-P214 HydrophobicContact CE1-CG 3.87Å; F125-P214 HydrophobicContact CE2-CG 4.19Å; F125-P214 HydrophobicContact CG-CG 4.15Å; F125-P214 VanDerWaalsContact CZ-CD 3.47Å; F125-P214 HydrophobicContact CZ-CG 3.99Å |
| 126 | Y | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 145.7 | 174.4 | -50.6 | -87.2 | 0 | 0 | 0 | 111.4 | R4 Y42 Y140 F141 V252 V256 C266 L267 | R4-Y126 HydrophobicContact CB-CD2 3.79Å; R4-Y126 HydrophobicContact CB-CG 4.41Å; R4-Y126 HydrophobicContact CG-CD2 3.59Å; R4-Y126 HydrophobicContact CG-CE2 4.16Å; R4-Y126 HydrophobicContact CG-CG 4.47Å; R4-Y126 PolarHBondContact O-N 3.17Å; Y42-Y126 VanDerWaalsContact O-CE2 3.29Å; Y42-Y126 WeakPolarHBondContact O-CE2 3.2Å; Y42-Y126 PolarHBondContact O-OH 2.87Å; Y126-Y140 VanDerWaalsContact CA-O 3.24Å; Y126-Y140 WeakPolarHBondContact CA-O 3.5Å; Y126-F141 HydrophobicContact CD1-CB 4.06Å; Y126-F141 AromaticContact CD1-CD2 3.79Å; Y126-F141 HydrophobicContact CD1-CD2 3.79Å; Y126-F141 HydrophobicContact CD1-CG 4.41Å; Y126-F141 HydrophobicContact CE1-CB 4.01Å; Y126-F141 AromaticContact CE1-CD2 3.47Å; Y126-F141 HydrophobicContact CE1-CD2 3.47Å; Y126-F141 VanDerWaalsContact CE1-CD2 3.47Å; Y126-F141 HydrophobicContact CE1-CE2 4.3Å; Y126-F141 HydrophobicContact CE1-CG 4.1Å; Y126-F141 HydrophobicContact CE2-CD2 4.45Å; Y126-F141 HydrophobicContact CG-CD2 4.41Å; Y126-F141 AromaticContact CZ-CD2 3.86Å; Y126-V252 HydrophobicContact CD1-CG2 4.36Å; Y126-V256 HydrophobicContact CD1-CG2 3.79Å; Y126-V256 HydrophobicContact CD2-CG2 3.92Å; Y126-V256 HydrophobicContact CE1-CB 4.43Å; Y126-V256 HydrophobicContact CE1-CG2 3.71Å; Y126-V256 HydrophobicContact CE2-CG2 3.82Å; Y126-V256 HydrophobicContact CG-CG2 3.88Å; Y126-C266 WeakPolarHBondContact CE1-O 3.22Å; Y126-L267 HydrophobicContact CE1-CB 4.29Å |
| 127 | E | 98.6 | Very high | 95.7 | Very high | 11 Ų | 11 | 53.5 Ų | 53.5 | 5% | 0.051 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 149.8 | 171 | -171.6 | 56.5 | -83.6 | 0 | 0 | 110.7 | M1 F125 Y140 I142 I209 H210 | M1-E127 WeakPolarHBondContact CA-OE2 3.4Å; M1-E127 PolarHBondContact N-OE2 2.82Å; F125-E127 HydrophobicContact CE2-CB 4.21Å; E127-Y140 PolarHBondContact N-O 3.15Å; E127-Y140 VanDerWaalsContact N-O 3.12Å; E127-Y140 PolarHBondContact O-N 3.1Å; E127-I142 HydrophobicContact CB-CD1 3.76Å; E127-I209 HydrophobicContact CB-CG2 4.08Å; E127-I209 HydrophobicContact CG-CG2 3.91Å; E127-H210 HydrophobicContact CG-CB 3.42Å; E127-H210 VanDerWaalsContact CG-CB 3.42Å; E127-H210 IonicContact OE1-CD2 3.44Å; E127-H210 IonicContact OE2-CD2 3.06Å; E127-H210 PolarHBondContact OE2-CD2 2.75Å; E127-H210 IonicContact OE2-CG 3.38Å; E127-H210 IonicContact OE2-ND1 2.73Å; E127-H210 IonicContact OE2-NE2 3.28Å |
| 128 | W | 97.9 | Very high | 95.6 | Very high | 42 Ų | 42 | 55.4 Ų | 55.4 | 16% | 0.159 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 107.2 | -172.5 | -78.2 | -97.1 | 0 | 0 | 0 | 111.1 | R4 R130 R137 Q138 V256 N257 | R4-W128 HydrophobicContact CB-CH2 3.79Å; R4-W128 HydrophobicContact CB-CZ3 3.99Å; R4-W128 HydrophobicContact CG-CH2 4.26Å; W128-R130 PolarHBondContact O-N 2.74Å; W128-R137 HydrophobicContact CB-CB 3.9Å; W128-R137 HydrophobicContact CG-CB 4.38Å; W128-Q138 WeakPolarHBondContact CA-O 3.43Å; W128-V256 HydrophobicContact CZ2-CG1 4.05Å; W128-N257 PolarHBondContact NE1-OD1 2.79Å |
| 129 | Q | 97 | Very high | 95.6 | Very high | 43 Ų | 43 | 55.7 Ų | 55.7 | 20% | 0.201 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 130.4 | 175.1 | -177.7 | 175.8 | 38 | 0 | 0 | 110.7 | R137 Q138 Y140 D208 I209 | Q129-R137 CarbonylContact O-C 3.55Å; Q129-R137 WeakPolarHBondContact O-CA 2.98Å; Q129-R137 VanDerWaalsContact O-CB 3.29Å; Q129-R137 WeakPolarHBondContact O-CB 3.46Å; Q129-Q138 HydrophobicContact CB-CB 4.42Å; Q129-Q138 PolarHBondContact N-O 3.28Å; Q129-Q138 PolarHBondContact O-N 3.19Å; Q129-Y140 HydrophobicContact CB-CD2 4.07Å; Q129-Y140 HydrophobicContact CB-CE2 3.62Å; Q129-Y140 HydrophobicContact CG-CE2 4.43Å; Q129-Y140 VanDerWaalsContact OE1-CE2 3.23Å; Q129-Y140 PolarHBondContact OE1-OH 3.11Å; Q129-D208 WeakPolarHBondContact CG-O 3.23Å; Q129-D208 PolarHBondContact NE2-O 3.17Å; Q129-I209 WeakPolarHBondContact CA-O 3.47Å; Q129-I209 HydrophobicContact CB-CG2 4.29Å |
| 130 | R | 93.6 | Very high | 95.5 | Very high | 177 Ų | 177 | 56.7 Ų | 56.7 | 67% | 0.668 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 123.6 | 170.9 | -65 | -178.3 | -176.9 | -177 | 0.2 | 109.4 | W128 | W128-R130 PolarHBondContact O-N 2.74Å |
| 131 | C | 88.1 | Confident | 95.5 | Very high | 50 Ų | 50 | 56.8 Ų | 56.8 | 34% | 0.338 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -87.8 | 136.8 | 174.6 | -59.9 | 0 | 0 | 0 | 0 | 109.9 | T134 | C131-T134 HydrophobicContact CB-CG2 3.4Š|
| 132 | Q | 85.5 | Confident | 95.5 | Very high | 198 Ų | 198 | 56.8 Ų | 56.8 | 93% | 0.925 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 140 | 178.6 | -70.9 | -172.5 | -9.8 | 0 | 0 | 111.1 | T134 | Q132-T134 PolarHBondContact O-N 2.59Š|
| 133 | G | 88.4 | Confident | 95.5 | Very high | 93 Ų | 93 | 58.5 Ų | 58.5 | 96% | 0.959 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 8.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 134 | T | 92.1 | Very high | 95.5 | Very high | 65 Ų | 65 | 58.6 Ų | 58.6 | 40% | 0.399 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -143.6 | 154.3 | 177.2 | 179.5 | 0 | 0 | 0 | 0 | 112 | C131 Q132 Q136 | C131-T134 HydrophobicContact CB-CG2 3.4Å; Q132-T134 PolarHBondContact O-N 2.59Å; T134-Q136 VanDerWaalsContact C-N 3.28Å; T134-Q136 HydrophobicContact CG2-CB 4.19Å; T134-Q136 PolarHBondContact OG1-N 2.96Å; T134-Q136 VanDerWaalsContact OG1-N 3.12Å |
| 135 | N | 92 | Very high | 95.4 | Very high | 166 Ų | 166 | 61.2 Ų | 61.2 | 89% | 0.888 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -81.8 | -9.6 | 171.5 | -70.9 | -28.3 | 0 | 0 | 0 | 112.7 | ||
| 136 | Q | 92.1 | Very high | 95.2 | Very high | 143 Ų | 143 | 63.1 Ų | 63.1 | 67% | 0.668 | 32% | 0.323 | S | S | * | . | trans | -67.1 | 148 | 175.6 | -67.2 | -171.4 | -6.1 | 0 | 0 | 110.8 | T134 | T134-Q136 VanDerWaalsContact C-N 3.28Å; T134-Q136 HydrophobicContact CG2-CB 4.19Å; T134-Q136 PolarHBondContact OG1-N 2.96Å; T134-Q136 VanDerWaalsContact OG1-N 3.12Å | ||
| 137 | R | 95.6 | Very high | 94.5 | Very high | 130 Ų | 130 | 69.8 Ų | 69.8 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 136 | 176.2 | -56.8 | -170.4 | -176.3 | 175.4 | 6.4 | 110.3 | W128 Q129 P139 | W128-R137 HydrophobicContact CB-CB 3.9Å; W128-R137 HydrophobicContact CG-CB 4.38Å; Q129-R137 CarbonylContact O-C 3.55Å; Q129-R137 WeakPolarHBondContact O-CA 2.98Å; Q129-R137 VanDerWaalsContact O-CB 3.29Å; Q129-R137 WeakPolarHBondContact O-CB 3.46Å; R137-P139 WeakPolarHBondContact O-CD 3.33Å |
| 138 | Q | 97.1 | Very high | 93.2 | Very high | 42 Ų | 42 | 78.4 Ų | 78.4 | 20% | 0.196 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 117.9 | 176.2 | 176.1 | 57.2 | 52.7 | 0 | 0 | 109.3 | W128 Q129 Y140 V252 L272 | W128-Q138 WeakPolarHBondContact CA-O 3.43Å; Q129-Q138 HydrophobicContact CB-CB 4.42Å; Q129-Q138 PolarHBondContact N-O 3.28Å; Q129-Q138 PolarHBondContact O-N 3.19Å; Q138-Y140 HydrophobicContact CB-CE2 3.98Å; Q138-Y140 HydrophobicContact CG-CD2 4.11Å; Q138-Y140 HydrophobicContact CG-CE2 3.47Å; Q138-Y140 VanDerWaalsContact CG-CE2 3.47Å; Q138-Y140 WeakPolarHBondContact O-CD2 3.39Å; Q138-V252 PolarHBondContact NE2-O 2.67Å; Q138-L272 VanDerWaalsContact CD-CD2 3.46Å; Q138-L272 HydrophobicContact CG-CD2 3.88Å |
| 139 | P | 98.1 | Very high | 91.1 | Very high | 5 Ų | 5 | 80.7 Ų | 80.7 | 3% | 0.032 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 141.6 | 171.5 | 28.4 | -32.4 | 0 | 0 | 0 | 111.5 | R137 V252 S253 V256 | R137-P139 WeakPolarHBondContact O-CD 3.33Å; P139-V252 HydrophobicContact CB-CG2 3.72Å; P139-V252 HydrophobicContact CG-CG2 3.93Å; P139-V252 PolarHBondContact O-N 3.14Å; P139-S253 WeakPolarHBondContact CG-O 3.45Å; P139-V256 HydrophobicContact CB-CG1 3.71Å; P139-V256 HydrophobicContact CG-CG1 4.05Å |
| 140 | Y | 98.6 | Very high | 88.7 | Confident | 22 Ų | 22 | 87.8 Ų | 87.8 | 9% | 0.086 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 145.8 | 170.8 | -71.8 | -95.6 | 0 | 0 | 0 | 109.6 | Y126 E127 Q129 Q138 I209 F249 H250 A251 | Y126-Y140 VanDerWaalsContact CA-O 3.24Å; Y126-Y140 WeakPolarHBondContact CA-O 3.5Å; E127-Y140 PolarHBondContact N-O 3.15Å; E127-Y140 VanDerWaalsContact N-O 3.12Å; E127-Y140 PolarHBondContact O-N 3.1Å; Q129-Y140 HydrophobicContact CB-CD2 4.07Å; Q129-Y140 HydrophobicContact CB-CE2 3.62Å; Q129-Y140 HydrophobicContact CG-CE2 4.43Å; Q129-Y140 VanDerWaalsContact OE1-CE2 3.23Å; Q129-Y140 PolarHBondContact OE1-OH 3.11Å; Q138-Y140 HydrophobicContact CB-CE2 3.98Å; Q138-Y140 HydrophobicContact CG-CD2 4.11Å; Q138-Y140 HydrophobicContact CG-CE2 3.47Å; Q138-Y140 VanDerWaalsContact CG-CE2 3.47Å; Q138-Y140 WeakPolarHBondContact O-CD2 3.39Å; Y140-I209 HydrophobicContact CD1-CD1 4Å; Y140-I209 HydrophobicContact CD2-CD1 4.09Å; Y140-I209 HydrophobicContact CD2-CG1 4.12Å; Y140-I209 HydrophobicContact CD2-CG2 4.14Å; Y140-I209 HydrophobicContact CE1-CD1 4.39Å; Y140-I209 HydrophobicContact CE2-CD1 4.47Å; Y140-I209 HydrophobicContact CE2-CG1 4.2Å; Y140-I209 HydrophobicContact CG-CD1 3.83Å; Y140-I209 HydrophobicContact CG-CG1 4.37Å; Y140-F249 AromaticContact CD1-CD2 3.7Å; Y140-F249 HydrophobicContact CD1-CD2 3.7Å; Y140-F249 HydrophobicContact CD1-CE2 4.28Å; Y140-F249 HydrophobicContact CE1-CD2 4.07Å; Y140-F249 HydrophobicContact CE1-CE2 4.23Å; Y140-H250 WeakPolarHBondContact CA-O 3.5Å; Y140-A251 HydrophobicContact CD1-CB 4.19Å; Y140-A251 HydrophobicContact CE1-CB 3.91Å |
| 141 | F | 98.7 | Very high | 86.3 | Confident | 2 Ų | 2 | 88.9 Ų | 88.9 | 1% | 0.009 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.8 | 165.3 | -177.5 | -116.2 | 0 | 0 | 0 | 109 | D123 G124 Y126 Y143 W171 F249 H250 V252 L267 | D123-F141 HydrophobicContact CB-CZ 4.19Å; G124-F141 VanDerWaalsContact C-CE2 3.49Å; G124-F141 VanDerWaalsContact CA-CE2 3.49Å; Y126-F141 HydrophobicContact CD1-CB 4.06Å; Y126-F141 AromaticContact CD1-CD2 3.79Å; Y126-F141 HydrophobicContact CD1-CD2 3.79Å; Y126-F141 HydrophobicContact CD1-CG 4.41Å; Y126-F141 HydrophobicContact CE1-CB 4.01Å; Y126-F141 AromaticContact CE1-CD2 3.47Å; Y126-F141 HydrophobicContact CE1-CD2 3.47Å; Y126-F141 VanDerWaalsContact CE1-CD2 3.47Å; Y126-F141 HydrophobicContact CE1-CE2 4.3Å; Y126-F141 HydrophobicContact CE1-CG 4.1Å; Y126-F141 HydrophobicContact CE2-CD2 4.45Å; Y126-F141 HydrophobicContact CG-CD2 4.41Å; Y126-F141 AromaticContact CZ-CD2 3.86Å; F141-Y143 AromaticContact CD1-CD1 3.39Å; F141-Y143 HydrophobicContact CD1-CD1 3.39Å; F141-Y143 AromaticContact CD1-CE1 3.77Å; F141-Y143 HydrophobicContact CD1-CE1 3.77Å; F141-Y143 HydrophobicContact CD1-CG 4.25Å; F141-Y143 AromaticContact CE1-CD1 3.55Å; F141-Y143 HydrophobicContact CE1-CD1 3.55Å; F141-Y143 HydrophobicContact CE1-CE1 4.2Å; F141-Y143 AromaticContact CE1-CG 3.95Å; F141-Y143 HydrophobicContact CE1-CG 3.95Å; F141-Y143 HydrophobicContact CG-CD1 4.26Å; F141-W171 HydrophobicContact CE1-CH2 4.47Å; F141-W171 HydrophobicContact CE1-CZ2 4.23Å; F141-F249 WeakPolarHBondContact O-CA 3.33Å; F141-F249 VanDerWaalsContact O-CB 3.3Å; F141-F249 WeakPolarHBondContact O-CB 3.48Å; F141-H250 AromaticContact CD1-CE1 3.83Å; F141-H250 AromaticContact CD1-NE2 3.95Å; F141-H250 PolarHBondContact N-O 2.77Å; F141-H250 PolarHBondContact O-N 2.95Å; F141-H250 VanDerWaalsContact O-N 3.13Å; F141-V252 HydrophobicContact CB-CG1 3.64Å; F141-L267 HydrophobicContact CD1-CB 4.08Å; F141-L267 HydrophobicContact CD2-CB 4.23Å; F141-L267 HydrophobicContact CE1-CB 4.3Å; F141-L267 HydrophobicContact CE1-CD2 4.38Å; F141-L267 HydrophobicContact CE2-CB 4.42Å; F141-L267 HydrophobicContact CE2-CD2 4.46Å; F141-L267 HydrophobicContact CG-CB 4.05Å; F141-L267 HydrophobicContact CZ-CB 4.45Å; F141-L267 HydrophobicContact CZ-CD2 4.11Å |
| 142 | I | 98.7 | Very high | 83.9 | Confident | 2 Ų | 2 | 90.1 Ų | 90.1 | 1% | 0.01 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 126.9 | -169.6 | -56 | 163.2 | 0 | 0 | 0 | 108.8 | G124 F125 E127 L206 I247 T248 F249 | G124-I142 CarbonylContact C-O 3.48Å; G124-I142 VanDerWaalsContact CA-O 3.22Å; G124-I142 WeakPolarHBondContact CA-O 3.32Å; F125-I142 HydrophobicContact CD1-CB 4Å; F125-I142 HydrophobicContact CD1-CG2 4.19Å; F125-I142 HydrophobicContact CD2-CD1 4.26Å; F125-I142 HydrophobicContact CE1-CB 3.61Å; F125-I142 HydrophobicContact CE1-CD1 4.38Å; F125-I142 HydrophobicContact CE1-CG2 3.38Å; F125-I142 HydrophobicContact CE2-CB 4.19Å; F125-I142 HydrophobicContact CE2-CD1 3.5Å; F125-I142 HydrophobicContact CE2-CG1 4.41Å; F125-I142 HydrophobicContact CE2-CG2 4.46Å; F125-I142 HydrophobicContact CG-CB 4.46Å; F125-I142 HydrophobicContact CZ-CB 3.71Å; F125-I142 HydrophobicContact CZ-CD1 3.58Å; F125-I142 HydrophobicContact CZ-CG1 4.25Å; F125-I142 HydrophobicContact CZ-CG2 3.54Å; F125-I142 PolarHBondContact N-O 2.55Å; F125-I142 PolarHBondContact O-N 3.28Å; E127-I142 HydrophobicContact CB-CD1 3.76Å; I142-L206 HydrophobicContact CD1-CD2 4.02Å; I142-L206 HydrophobicContact CG1-CD2 4.27Å; I142-L206 HydrophobicContact CG2-CD1 4.12Å; I142-L206 HydrophobicContact CG2-CD2 4.03Å; I142-I247 HydrophobicContact CG2-CD1 3.95Å; I142-I247 HydrophobicContact CG2-CG1 3.36Å; I142-T248 WeakPolarHBondContact CA-O 3.39Å; I142-F249 HydrophobicContact CB-CB 4.25Å; I142-F249 HydrophobicContact CG1-CB 3.73Å; I142-F249 HydrophobicContact CG2-CB 4.42Å |
| 143 | Y | 98.6 | Very high | 81.7 | Confident | 36 Ų | 36 | 84.8 Ų | 84.8 | 14% | 0.141 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 165.9 | -168.6 | 55.1 | -77.7 | 0 | 0 | 0 | 111.3 | F141 Q146 W171 I247 T248 H250 | F141-Y143 AromaticContact CD1-CD1 3.39Å; F141-Y143 HydrophobicContact CD1-CD1 3.39Å; F141-Y143 AromaticContact CD1-CE1 3.77Å; F141-Y143 HydrophobicContact CD1-CE1 3.77Å; F141-Y143 HydrophobicContact CD1-CG 4.25Å; F141-Y143 AromaticContact CE1-CD1 3.55Å; F141-Y143 HydrophobicContact CE1-CD1 3.55Å; F141-Y143 HydrophobicContact CE1-CE1 4.2Å; F141-Y143 AromaticContact CE1-CG 3.95Å; F141-Y143 HydrophobicContact CE1-CG 3.95Å; F141-Y143 HydrophobicContact CG-CD1 4.26Å; Y143-Q146 HydrophobicContact CD2-CG 4.04Å; Y143-Q146 HydrophobicContact CE2-CG 4.11Å; Y143-W171 AromaticContact CD2-CH2 3.56Å; Y143-W171 HydrophobicContact CD2-CH2 3.56Å; Y143-W171 AromaticContact CD2-CZ2 3.6Å; Y143-W171 HydrophobicContact CD2-CZ2 3.6Å; Y143-W171 AromaticContact CE2-CH2 3.84Å; Y143-W171 HydrophobicContact CE2-CH2 3.84Å; Y143-W171 HydrophobicContact CE2-CZ2 4.35Å; Y143-W171 HydrophobicContact CG-CH2 4.14Å; Y143-W171 AromaticContact CG-CZ2 3.9Å; Y143-W171 HydrophobicContact CG-CZ2 3.9Å; Y143-I247 WeakPolarHBondContact O-CD1 3.38Å; Y143-T248 HydrophobicContact CD2-CG2 3.97Å; Y143-T248 HydrophobicContact CE1-CG2 4.3Å; Y143-T248 HydrophobicContact CE2-CG2 3.56Å; Y143-T248 HydrophobicContact CG-CG2 4.47Å; Y143-T248 PolarHBondContact N-O 2.89Å; Y143-T248 PolarHBondContact O-N 3.21Å; Y143-T248 VanDerWaalsContact O-O 3.07Å; Y143-H250 AromaticContact CE1-CE1 3.47Å; Y143-H250 VanDerWaalsContact CE1-CE1 3.47Å; Y143-H250 WeakPolarHBondContact CE1-CE1 3.5Å; Y143-H250 AromaticContact CE1-ND1 3.35Å; Y143-H250 VanDerWaalsContact CE1-ND1 3.35Å; Y143-H250 WeakPolarHBondContact CE1-ND1 3.31Å; Y143-H250 AromaticContact CZ-CE1 3.84Å; Y143-H250 AromaticContact CZ-ND1 3.59Å; Y143-H250 PolarHBondContact OH-ND1 2.94Å |
| 144 | F | 98.3 | Very high | 79.2 | Confident | 1 Ų | 1 | 84.7 Ų | 84.7 | 0% | 0.004 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 146.6 | 172.9 | -79.9 | -53.5 | 0 | 0 | 0 | 110.7 | Q146 R172 L173 L174 I216 D218 N246 | F144-Q146 PolarHBondContact O-N 3.38Å; F144-Q146 PolarHBondContact O-NE2 3.29Å; F144-R172 HydrophobicContact CB-CG 4.39Å; F144-R172 HydrophobicContact CD2-CG 4.08Å; F144-L173 VanDerWaalsContact CD2-O 3.26Å; F144-L173 WeakPolarHBondContact CD2-O 3.36Å; F144-L173 WeakPolarHBondContact CE2-O 3.36Å; F144-L174 HydrophobicContact CD1-CD1 4.23Å; F144-L174 HydrophobicContact CD2-CB 4.46Å; F144-L174 HydrophobicContact CD2-CD1 3.76Å; F144-L174 HydrophobicContact CE1-CD1 4.26Å; F144-L174 HydrophobicContact CE2-CD1 3.81Å; F144-L174 HydrophobicContact CG-CD1 3.98Å; F144-L174 HydrophobicContact CZ-CD1 4.05Å; F144-I216 HydrophobicContact CE1-CG2 3.49Å; F144-I216 VanDerWaalsContact CE1-CG2 3.49Å; F144-I216 HydrophobicContact CE2-CG2 4.24Å; F144-I216 HydrophobicContact CZ-CG2 3.24Å; F144-D218 HydrophobicContact CE1-CB 4.28Å; F144-D218 HydrophobicContact CZ-CB 4.43Å; F144-N246 WeakPolarHBondContact CD1-O 3.44Å |
| 145 | P | 96.6 | Very high | 76.9 | Confident | 55 Ų | 55 | 88.5 Ų | 88.5 | 36% | 0.357 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 131 | 164.9 | -25.7 | 36.6 | 0 | 0 | 0 | 110.8 | N246 T248 | P145-N246 WeakPolarHBondContact CD-OD1 3.31Å; P145-N246 WeakPolarHBondContact CG-OD1 3.46Å; P145-T248 HydrophobicContact CG-CG2 4.4Å |
| 146 | Q | 93.8 | Very high | 74.6 | Confident | 42 Ų | 42 | 83.2 Ų | 83.2 | 20% | 0.196 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -97.7 | 152.8 | -176.6 | -58.3 | -62.6 | -43.5 | 0 | 0 | 110.7 | Y143 F144 K148 W171 R172 | Y143-Q146 HydrophobicContact CD2-CG 4.04Å; Y143-Q146 HydrophobicContact CE2-CG 4.11Å; F144-Q146 PolarHBondContact O-N 3.38Å; F144-Q146 PolarHBondContact O-NE2 3.29Å; Q146-K148 PolarHBondContact O-N 2.97Å; Q146-W171 HydrophobicContact CG-CD2 4.2Å; Q146-W171 HydrophobicContact CG-CE3 3.76Å; Q146-W171 HydrophobicContact CG-CH2 3.73Å; Q146-W171 HydrophobicContact CG-CZ2 4.13Å; Q146-W171 HydrophobicContact CG-CZ3 3.54Å; Q146-R172 PolarHBondContact NE2-O 3.08Å; Q146-R172 VanDerWaalsContact NE2-O 3.08Å |
| 147 | I | 84.6 | Confident | 72 | Confident | 141 Ų | 141 | 78.9 Ų | 78.9 | 72% | 0.723 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 123.1 | 177.2 | -59.7 | 171.7 | 0 | 0 | 0 | 108.3 | T149 | I147-T149 PolarHBondContact O-N 2.98Š|
| 148 | K | 71.1 | Confident | 69.5 | Low | 191 Ų | 191 | 76.5 Ų | 76.5 | 83% | 0.83 | 45% | 0.453 | S | S | * | . | trans | -74.5 | 110.7 | 171.6 | -63.6 | -176.4 | -177.9 | -179.3 | 0 | 107.6 | Q146 E150 | Q146-K148 PolarHBondContact O-N 2.97Å; K148-E150 PolarHBondContact O-N 3.36Å; K148-E150 VanDerWaalsContact O-N 3.11Å | ||
| 149 | T | 55.5 | Low | 67 | Low | 91 Ų | 91 | 81.7 Ų | 81.7 | 56% | 0.558 | 48% | 0.482 | S | S | * | . | trans | -64.2 | 111.5 | 167.2 | 40.2 | 0 | 0 | 0 | 0 | 108.4 | I147 K151 | I147-T149 PolarHBondContact O-N 2.98Å; T149-K151 VanDerWaalsContact C-N 3.31Å; T149-K151 PolarHBondContact O-N 2.63Å | ||
| 150 | E | 46.2 | Very low | 64.6 | Low | 191 Ų | 191 | 84.3 Ų | 84.3 | 89% | 0.893 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -64.5 | 90.2 | 175.4 | -72.5 | -174.7 | 170.1 | 0 | 0 | 110.1 | K148 | K148-E150 PolarHBondContact O-N 3.36Å; K148-E150 VanDerWaalsContact O-N 3.11Å |
| 151 | K | 42 | Very low | 62.3 | Low | 201 Ų | 201 | 88.5 Ų | 88.5 | 87% | 0.874 | 53% | 0.531 | S | S | * | . | trans | -178 | 73 | 151.4 | -100 | 170.7 | -169.6 | -175.4 | 0 | 109.1 | T149 | T149-K151 VanDerWaalsContact C-N 3.31Å; T149-K151 PolarHBondContact O-N 2.63Å | ||
| 152 | S | 39.3 | Very low | 60 | Low | 75 Ų | 75 | 95.5 Ų | 95.5 | 52% | 0.524 | 56% | 0.563 | S | S | . | * | trans | -137.8 | 71 | 147.2 | 62.6 | 0 | 0 | 0 | 0 | 109.8 | S154 A157 | S152-S154 VanDerWaalsContact C-N 3.31Å; S152-S154 PolarHBondContact O-N 3.37Å; S152-A157 VanDerWaalsContact OG-CB 3.23Å; S152-A157 WeakPolarHBondContact OG-CB 3.26Å | ||
| 153 | G | 38.5 | Very low | 58.1 | Low | 86 Ų | 86 | 98.1 Ų | 98.1 | 89% | 0.887 | 58% | 0.577 | S | S | * | * | trans | -66.4 | 99.4 | 155.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 154 | S | 35.7 | Very low | 56.1 | Low | 92 Ų | 92 | 101.2 Ų | 101.2 | 64% | 0.643 | 59% | 0.589 | S | S | * | * | S | Bend | trans | 141.6 | 125.2 | 160.6 | -162.7 | 0 | 0 | 0 | 0 | 109 | S152 G156 | S152-S154 VanDerWaalsContact C-N 3.31Å; S152-S154 PolarHBondContact O-N 3.37Å; S154-G156 PolarHBondContact O-N 3.25Å |
| 155 | T | 44.1 | Very low | 54.4 | Low | 144 Ų | 144 | 108.2 Ų | 108.2 | 88% | 0.883 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -35.4 | 119.5 | 168.8 | 39.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 156 | G | 44 | Very low | 53.1 | Low | 56 Ų | 56 | 111.7 Ų | 111.7 | 58% | 0.577 | 63% | 0.631 | S | S | * | * | trans | 122.8 | 20.1 | 173 | 0 | 0 | 0 | 0 | 0 | 117.3 | S154 A158 | S154-G156 PolarHBondContact O-N 3.25Å; G156-A158 VanDerWaalsContact C-N 3.27Å; G156-A158 PolarHBondContact O-N 3.04Å | ||
| 157 | A | 37.4 | Very low | 52.5 | Low | 51 Ų | 51 | 112.1 Ų | 112.1 | 42% | 0.421 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.5 | 47.4 | -168.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | S152 | S152-A157 VanDerWaalsContact OG-CB 3.23Å; S152-A157 WeakPolarHBondContact OG-CB 3.26Å |
| 158 | A | 42.7 | Very low | 52.6 | Low | 81 Ų | 81 | 106.4 Ų | 106.4 | 67% | 0.669 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | 8.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G156 | G156-A158 VanDerWaalsContact C-N 3.27Å; G156-A158 PolarHBondContact O-N 3.04Å |
| 159 | D | 43.9 | Very low | 53.3 | Low | 151 Ų | 151 | 102.3 Ų | 102.3 | 81% | 0.807 | 59% | 0.593 | S | S | * | * | trans | -112.2 | 16.2 | -163.7 | -73.5 | -22.6 | 0 | 0 | 0 | 116.3 | ||||
| 160 | S | 48.3 | Very low | 54.8 | Low | 59 Ų | 59 | 103.5 Ų | 103.5 | 41% | 0.413 | 60% | 0.596 | S | S | . | * | trans | -124 | 131.3 | 171.2 | 74.5 | 0 | 0 | 0 | 0 | 113.8 | E162 N163 | S160-E162 PolarHBondContact O-N 2.92Å; S160-N163 WeakPolarHBondContact O-CB 3.4Å; S160-N163 PolarHBondContact O-N 2.88Å | ||
| 161 | P | 51 | Low | 57.2 | Low | 111 Ų | 111 | 95.4 Ų | 95.4 | 72% | 0.721 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -56.4 | -35.7 | 178.3 | -25.3 | 32.8 | 0 | 0 | 0 | 113.8 | N163 W164 E165 | P161-N163 PolarHBondContact O-N 3.15Å; P161-W164 PolarHBondContact O-N 3.3Å; P161-W164 VanDerWaalsContact O-N 3.11Å; P161-E165 PolarHBondContact O-N 2.7Å |
| 162 | E | 50 | Low | 59.8 | Low | 148 Ų | 148 | 89.9 Ų | 89.9 | 69% | 0.692 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.2 | -22.2 | 178.6 | -64.3 | 178.8 | 179.6 | 0 | 0 | 113.3 | S160 | S160-E162 PolarHBondContact O-N 2.92Å |
| 163 | N | 57.8 | Low | 62.6 | Low | 57 Ų | 57 | 86.9 Ų | 86.9 | 31% | 0.305 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -82.3 | -25.8 | 176.9 | -144.4 | 20.9 | 0 | 0 | 0 | 111.5 | S160 P161 V167 | S160-N163 WeakPolarHBondContact O-CB 3.4Å; S160-N163 PolarHBondContact O-N 2.88Å; P161-N163 PolarHBondContact O-N 3.15Å; N163-V167 VanDerWaalsContact O-CG2 3.31Å; N163-V167 WeakPolarHBondContact O-CG2 3.35Å |
| 164 | W | 57.6 | Low | 65.5 | Low | 101 Ų | 101 | 82.8 Ų | 82.8 | 38% | 0.383 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -76.5 | -38.9 | -179.8 | -159.2 | -92.7 | 0 | 0 | 0 | 112.3 | P161 K166 V167 W168 L267 P269 | P161-W164 PolarHBondContact O-N 3.3Å; P161-W164 VanDerWaalsContact O-N 3.11Å; W164-K166 PolarHBondContact O-N 3.41Å; W164-V167 PolarHBondContact O-N 2.9Å; W164-W168 AromaticContact CD1-CD1 3.8Å; W164-W168 AromaticContact CD1-NE1 3.13Å; W164-W168 AromaticContact CE2-NE1 3.93Å; W164-W168 HydrophobicContact CZ2-CZ2 4.45Å; W164-W168 AromaticContact NE1-CE2 3.79Å; W164-W168 AromaticContact NE1-CZ2 3.96Å; W164-W168 AromaticContact NE1-NE1 3.01Å; W164-L267 HydrophobicContact CZ2-CD1 3.77Å; W164-P269 HydrophobicContact CH2-CG 4.44Å |
| 165 | E | 61.9 | Low | 68.5 | Low | 148 Ų | 148 | 79.2 Ų | 79.2 | 69% | 0.692 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62.2 | -41.5 | 176.1 | -73.9 | -174.6 | 165.6 | 0 | 0 | 112.2 | P161 V167 W168 | P161-E165 PolarHBondContact O-N 2.7Å; E165-V167 VanDerWaalsContact C-N 3.27Å; E165-V167 PolarHBondContact O-N 2.82Å; E165-W168 PolarHBondContact O-N 3.28Å; E165-W168 VanDerWaalsContact O-N 3.15Å |
| 166 | K | 69.6 | Low | 71.1 | Confident | 129 Ų | 129 | 72.4 Ų | 72.4 | 56% | 0.561 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -67.1 | -25.7 | 179.8 | -69.7 | 179.4 | -176.4 | 171.2 | 0 | 114 | W164 W168 | W164-K166 PolarHBondContact O-N 3.41Å; K166-W168 VanDerWaalsContact C-N 3.28Å |
| 167 | V | 80.4 | Confident | 73.7 | Confident | 51 Ų | 51 | 69.7 Ų | 69.7 | 31% | 0.309 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 175.4 | 166.2 | 0 | 0 | 0 | 0 | 110.5 | N163 W164 E165 W171 | N163-V167 VanDerWaalsContact O-CG2 3.31Å; N163-V167 WeakPolarHBondContact O-CG2 3.35Å; W164-V167 PolarHBondContact O-N 2.9Å; E165-V167 VanDerWaalsContact C-N 3.27Å; E165-V167 PolarHBondContact O-N 2.82Å; V167-W171 HydrophobicContact CG1-CE3 3.53Å; V167-W171 HydrophobicContact CG1-CZ3 3.58Å; V167-W171 PolarHBondContact O-N 2.92Å |
| 168 | W | 88.3 | Confident | 76.7 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 8% | 0.08 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -77.8 | -25.5 | -177.4 | -64.6 | 113.7 | 0 | 0 | 0 | 114.1 | H8 L9 D123 W164 E165 K166 N170 W171 L267 | H8-W168 AromaticContact CE1-CD2 3.52Å; H8-W168 AromaticContact CE1-CE2 3.6Å; H8-W168 AromaticContact CE1-CE3 3.51Å; H8-W168 AromaticContact CE1-CH2 3.67Å; H8-W168 AromaticContact CE1-CZ2 3.69Å; H8-W168 AromaticContact CE1-CZ3 3.57Å; H8-W168 AromaticContact NE2-CD2 3.81Å; H8-W168 AromaticContact NE2-CE2 3.89Å; L9-W168 HydrophobicContact CD2-CB 3.84Å; L9-W168 HydrophobicContact CD2-CD2 4.31Å; L9-W168 HydrophobicContact CD2-CE3 3.96Å; L9-W168 HydrophobicContact CD2-CG 4.3Å; D123-W168 HydrophobicContact CB-CH2 4.41Å; D123-W168 HydrophobicContact CB-CZ3 3.98Å; W164-W168 AromaticContact CD1-CD1 3.8Å; W164-W168 AromaticContact CD1-NE1 3.13Å; W164-W168 AromaticContact CE2-NE1 3.93Å; W164-W168 HydrophobicContact CZ2-CZ2 4.45Å; W164-W168 AromaticContact NE1-CE2 3.79Å; W164-W168 AromaticContact NE1-CZ2 3.96Å; W164-W168 AromaticContact NE1-NE1 3.01Å; E165-W168 PolarHBondContact O-N 3.28Å; E165-W168 VanDerWaalsContact O-N 3.15Å; K166-W168 VanDerWaalsContact C-N 3.28Å; W168-N170 PolarHBondContact O-N 2.94Å; W168-W171 HydrophobicContact CD2-CE3 4.42Å; W168-W171 HydrophobicContact CE3-CB 3.87Å; W168-W171 AromaticContact CE3-CD2 3.58Å; W168-W171 HydrophobicContact CE3-CD2 3.58Å; W168-W171 AromaticContact CE3-CE3 3.7Å; W168-W171 HydrophobicContact CE3-CE3 3.7Å; W168-W171 AromaticContact CE3-CG 3.66Å; W168-W171 HydrophobicContact CE3-CG 3.66Å; W168-W171 HydrophobicContact CE3-CZ3 4.4Å; W168-W171 HydrophobicContact CH2-CD2 4.14Å; W168-W171 HydrophobicContact CH2-CE3 4.06Å; W168-W171 AromaticContact CH2-CH2 3.97Å; W168-W171 HydrophobicContact CH2-CH2 3.97Å; W168-W171 HydrophobicContact CH2-CZ2 4.07Å; W168-W171 AromaticContact CH2-CZ3 3.95Å; W168-W171 HydrophobicContact CH2-CZ3 3.95Å; W168-W171 HydrophobicContact CZ3-CB 4.37Å; W168-W171 AromaticContact CZ3-CD2 3.25Å; W168-W171 HydrophobicContact CZ3-CD2 3.25Å; W168-W171 AromaticContact CZ3-CE2 3.46Å; W168-W171 VanDerWaalsContact CZ3-CE2 3.46Å; W168-W171 AromaticContact CZ3-CE3 3.5Å; W168-W171 HydrophobicContact CZ3-CE3 3.5Å; W168-W171 VanDerWaalsContact CZ3-CE3 3.5Å; W168-W171 AromaticContact CZ3-CG 3.66Å; W168-W171 HydrophobicContact CZ3-CG 3.66Å; W168-W171 HydrophobicContact CZ3-CH2 4.06Å; W168-W171 AromaticContact CZ3-CZ2 3.88Å; W168-W171 HydrophobicContact CZ3-CZ2 3.88Å; W168-W171 AromaticContact CZ3-CZ3 3.88Å; W168-W171 HydrophobicContact CZ3-CZ3 3.88Å; W168-W171 AromaticContact CZ3-NE1 3.93Å; W168-W171 PolarHBondContact O-N 3.21Å; W168-L267 HydrophobicContact CH2-CD1 4.47Å; W168-L267 HydrophobicContact CH2-CD2 3.99Å; W168-L267 HydrophobicContact CZ2-CD1 4Å; W168-L267 HydrophobicContact CZ2-CD2 4.21Å |
| 169 | D | 84.6 | Confident | 79.3 | Confident | 105 Ų | 105 | 63.4 Ų | 63.4 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63 | -31.4 | 175.4 | -78 | -27.3 | 0 | 0 | 0 | 113 | ||
| 170 | N | 87.9 | Confident | 81.9 | Confident | 115 Ų | 115 | 56.3 Ų | 56.3 | 62% | 0.615 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | 23.3 | -178.2 | -60.5 | -73.5 | 0 | 0 | 0 | 112 | W168 R172 | W168-N170 PolarHBondContact O-N 2.94Å; N170-R172 PolarHBondContact O-N 3.33Å |
| 171 | W | 95.5 | Very high | 84.4 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 8% | 0.08 | 26% | 0.262 | C | S | . | . | trans | -66.9 | 123.8 | -178 | -170.3 | -93.9 | 0 | 0 | 0 | 111 | D123 F141 Y143 Q146 V167 W168 L173 | D123-W171 PolarHBondContact O-NE1 3.26Å; F141-W171 HydrophobicContact CE1-CH2 4.47Å; F141-W171 HydrophobicContact CE1-CZ2 4.23Å; Y143-W171 AromaticContact CD2-CH2 3.56Å; Y143-W171 HydrophobicContact CD2-CH2 3.56Å; Y143-W171 AromaticContact CD2-CZ2 3.6Å; Y143-W171 HydrophobicContact CD2-CZ2 3.6Å; Y143-W171 AromaticContact CE2-CH2 3.84Å; Y143-W171 HydrophobicContact CE2-CH2 3.84Å; Y143-W171 HydrophobicContact CE2-CZ2 4.35Å; Y143-W171 HydrophobicContact CG-CH2 4.14Å; Y143-W171 AromaticContact CG-CZ2 3.9Å; Y143-W171 HydrophobicContact CG-CZ2 3.9Å; Q146-W171 HydrophobicContact CG-CD2 4.2Å; Q146-W171 HydrophobicContact CG-CE3 3.76Å; Q146-W171 HydrophobicContact CG-CH2 3.73Å; Q146-W171 HydrophobicContact CG-CZ2 4.13Å; Q146-W171 HydrophobicContact CG-CZ3 3.54Å; V167-W171 HydrophobicContact CG1-CE3 3.53Å; V167-W171 HydrophobicContact CG1-CZ3 3.58Å; V167-W171 PolarHBondContact O-N 2.92Å; W168-W171 HydrophobicContact CD2-CE3 4.42Å; W168-W171 HydrophobicContact CE3-CB 3.87Å; W168-W171 AromaticContact CE3-CD2 3.58Å; W168-W171 HydrophobicContact CE3-CD2 3.58Å; W168-W171 AromaticContact CE3-CE3 3.7Å; W168-W171 HydrophobicContact CE3-CE3 3.7Å; W168-W171 AromaticContact CE3-CG 3.66Å; W168-W171 HydrophobicContact CE3-CG 3.66Å; W168-W171 HydrophobicContact CE3-CZ3 4.4Å; W168-W171 HydrophobicContact CH2-CD2 4.14Å; W168-W171 HydrophobicContact CH2-CE3 4.06Å; W168-W171 AromaticContact CH2-CH2 3.97Å; W168-W171 HydrophobicContact CH2-CH2 3.97Å; W168-W171 HydrophobicContact CH2-CZ2 4.07Å; W168-W171 AromaticContact CH2-CZ3 3.95Å; W168-W171 HydrophobicContact CH2-CZ3 3.95Å; W168-W171 HydrophobicContact CZ3-CB 4.37Å; W168-W171 AromaticContact CZ3-CD2 3.25Å; W168-W171 HydrophobicContact CZ3-CD2 3.25Å; W168-W171 AromaticContact CZ3-CE2 3.46Å; W168-W171 VanDerWaalsContact CZ3-CE2 3.46Å; W168-W171 AromaticContact CZ3-CE3 3.5Å; W168-W171 HydrophobicContact CZ3-CE3 3.5Å; W168-W171 VanDerWaalsContact CZ3-CE3 3.5Å; W168-W171 AromaticContact CZ3-CG 3.66Å; W168-W171 HydrophobicContact CZ3-CG 3.66Å; W168-W171 HydrophobicContact CZ3-CH2 4.06Å; W168-W171 AromaticContact CZ3-CZ2 3.88Å; W168-W171 HydrophobicContact CZ3-CZ2 3.88Å; W168-W171 AromaticContact CZ3-CZ3 3.88Å; W168-W171 HydrophobicContact CZ3-CZ3 3.88Å; W168-W171 AromaticContact CZ3-NE1 3.93Å; W168-W171 PolarHBondContact O-N 3.21Å; W171-L173 PolarHBondContact O-N 3.48Å | ||
| 172 | R | 97.4 | Very high | 86.6 | Confident | 86 Ų | 86 | 49.2 Ų | 49.2 | 33% | 0.325 | 23% | 0.234 | S | C | . | . | trans | -76.6 | 102.2 | 170.5 | -171.9 | -177.1 | -171.6 | -149.5 | -0.8 | 108.9 | F144 Q146 N170 D218 N246 | F144-R172 HydrophobicContact CB-CG 4.39Å; F144-R172 HydrophobicContact CD2-CG 4.08Å; Q146-R172 PolarHBondContact NE2-O 3.08Å; Q146-R172 VanDerWaalsContact NE2-O 3.08Å; N170-R172 PolarHBondContact O-N 3.33Å; R172-D218 IonicContact CZ-OD1 3.33Å; R172-D218 IonicContact NH1-OD1 3.93Å; R172-D218 PolarHBondContact NH1-OD1 2.81Å; R172-D218 VanDerWaalsContact NH1-OD1 3.13Å; R172-D218 IonicContact NH2-OD1 3.68Å; R172-D218 PolarHBondContact NH2-OD1 2.76Å; R172-N246 PolarHBondContact NH1-ND2 3.15Å | ||
| 173 | L | 98.6 | Very high | 88.9 | Confident | 11 Ų | 11 | 42.5 Ų | 42.5 | 6% | 0.058 | 20% | 0.202 | C | C | . | . | trans | -57.7 | 140 | 175.4 | -68.6 | 168.4 | 0 | 0 | 0 | 111.6 | L9 L14 A17 A122 F144 W171 | L9-L173 HydrophobicContact CD1-CD2 3.95Å; L14-L173 HydrophobicContact CD1-CD1 3.59Å; L14-L173 HydrophobicContact CD1-CD2 3.9Å; L14-L173 HydrophobicContact CD1-CG 4.4Å; A17-L173 HydrophobicContact CB-CD1 3.67Å; A17-L173 HydrophobicContact CB-CG 4.12Å; A122-L173 CarbonylContact O-C 3.56Å; F144-L173 VanDerWaalsContact CD2-O 3.26Å; F144-L173 WeakPolarHBondContact CD2-O 3.36Å; F144-L173 WeakPolarHBondContact CE2-O 3.36Å; W171-L173 PolarHBondContact O-N 3.48Å | ||
| 174 | L | 98.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 127 | 168 | -165.1 | 72.4 | 0 | 0 | 0 | 110.2 | A122 F125 F144 M176 I216 I247 | A122-L174 HydrophobicContact CB-CB 4.47Å; A122-L174 PolarHBondContact N-O 2.8Å; A122-L174 VanDerWaalsContact N-O 3.08Å; A122-L174 WeakPolarHBondContact O-CB 3.34Å; A122-L174 PolarHBondContact O-N 2.97Å; F125-L174 HydrophobicContact CD1-CD2 3.53Å; F125-L174 HydrophobicContact CE1-CD2 4.15Å; F144-L174 HydrophobicContact CD1-CD1 4.23Å; F144-L174 HydrophobicContact CD2-CB 4.46Å; F144-L174 HydrophobicContact CD2-CD1 3.76Å; F144-L174 HydrophobicContact CE1-CD1 4.26Å; F144-L174 HydrophobicContact CE2-CD1 3.81Å; F144-L174 HydrophobicContact CG-CD1 3.98Å; F144-L174 HydrophobicContact CZ-CD1 4.05Å; L174-M176 HydrophobicContact CD2-CE 4.45Å; L174-M176 HydrophobicContact CD2-CG 4Å; L174-M176 HydrophobicContact CD2-SD 3.92Å; L174-M176 HydrophobicContact CG-CG 4.13Å; L174-I216 HydrophobicContact CD1-CD1 3.93Å; L174-I216 HydrophobicContact CD1-CG1 4.19Å; L174-I216 HydrophobicContact CD1-CG2 4.09Å; L174-I247 HydrophobicContact CD1-CD1 3.92Å |
| 175 | T | 98.9 | Very high | 92.7 | Very high | 18 Ų | 18 | 43.2 Ų | 43.2 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 101.6 | -177.1 | 40 | 0 | 0 | 0 | 0 | 109.7 | V119 L121 I216 L217 V223 | V119-T175 HydrophobicContact CG1-CG2 3.77Å; L121-T175 HydrophobicContact CD2-CG2 4.23Å; T175-I216 WeakPolarHBondContact O-CA 3.47Å; T175-L217 PolarHBondContact O-N 2.86Å; T175-L217 PolarHBondContact OG1-O 2.79Å; T175-V223 HydrophobicContact CG2-CG2 4.05Å |
| 176 | M | 98.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 132.6 | -176.6 | -61.3 | 170.9 | -74 | 0 | 0 | 111.3 | T5 V119 V120 A122 L174 G178 I197 P214 A215 I216 | T5-M176 HydrophobicContact CG2-CE 4.13Å; V119-M176 CarbonylContact C-O 3.6Å; V119-M176 WeakPolarHBondContact CA-O 3.42Å; V120-M176 HydrophobicContact CB-CB 4.3Å; V120-M176 HydrophobicContact CB-CE 4.28Å; V120-M176 HydrophobicContact CG1-CE 4.03Å; V120-M176 PolarHBondContact N-O 2.94Å; V120-M176 PolarHBondContact O-N 3.06Å; A122-M176 HydrophobicContact CB-CE 3.7Å; L174-M176 HydrophobicContact CD2-CE 4.45Å; L174-M176 HydrophobicContact CD2-CG 4Å; L174-M176 HydrophobicContact CD2-SD 3.92Å; L174-M176 HydrophobicContact CG-CG 4.13Å; M176-G178 PolarHBondContact O-N 3.31Å; M176-I197 HydrophobicContact CB-CG2 4.34Å; M176-I197 HydrophobicContact CE-CD1 4.27Å; M176-I197 HydrophobicContact SD-CD1 4.25Å; M176-I197 HydrophobicContact SD-CG2 4.47Å; M176-P214 HydrophobicContact CB-CB 4.28Å; M176-P214 HydrophobicContact CG-CB 3.75Å; M176-P214 HydrophobicContact CG-CG 4.32Å; M176-P214 HydrophobicContact SD-CB 3.69Å; M176-P214 HydrophobicContact SD-CG 3.72Å; M176-A215 CarbonylContact C-O 3.56Å; M176-A215 WeakPolarHBondContact CA-O 3.48Å; M176-I216 HydrophobicContact CG-CG1 4.45Å |
| 177 | A | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 124.5 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | I198 A215 L217 W226 I241 | A177-I198 HydrophobicContact CB-CD1 4.19Å; A177-I198 WeakPolarHBondContact O-CB 3.44Å; A177-I198 PolarHBondContact O-N 3.49Å; A177-A215 HydrophobicContact CB-CB 4.1Å; A177-A215 PolarHBondContact N-O 3.38Å; A177-L217 HydrophobicContact CB-CD1 3.89Å; A177-L217 HydrophobicContact CB-CD2 4.28Å; A177-L217 HydrophobicContact CB-CG 3.99Å; A177-W226 HydrophobicContact CB-CD2 4.25Å; A177-W226 HydrophobicContact CB-CZ2 4.01Å; A177-I241 HydrophobicContact CB-CD1 3.51Å |
| 178 | G | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 161.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | C118 M176 T196 W226 | C118-G178 PolarHBondContact N-O 2.97Å; C118-G178 WeakPolarHBondContact O-CA 3.22Å; C118-G178 PolarHBondContact O-N 2.74Å; C118-G178 VanDerWaalsContact O-O 3.13Å; C118-G178 VanDerWaalsContact SG-C 3.6Å; M176-G178 PolarHBondContact O-N 3.31Å; G178-T196 WeakPolarHBondContact CA-O 3.47Å; G178-W226 PolarHBondContact O-NE1 3.23Å |
| 179 | I | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 137.4 | 166.1 | -66.2 | 169.1 | 0 | 0 | 0 | 107 | L77 I102 F108 P111 L112 R116 Y195 T196 I198 | L77-I179 HydrophobicContact CD1-CG2 4.21Å; I102-I179 HydrophobicContact CD1-CD1 3.41Å; I102-I179 VanDerWaalsContact CD1-CD1 3.41Å; I102-I179 HydrophobicContact CG1-CD1 3.72Å; F108-I179 HydrophobicContact CB-CD1 4.21Å; P111-I179 HydrophobicContact CB-CG2 3.78Å; P111-I179 HydrophobicContact CG-CG2 3.73Å; L112-I179 HydrophobicContact CB-CD1 4.06Å; L112-I179 HydrophobicContact CD1-CD1 4.12Å; L112-I179 HydrophobicContact CD1-CG1 4.21Å; L112-I179 HydrophobicContact CD2-CD1 4.31Å; L112-I179 HydrophobicContact CG-CD1 4.4Å; R116-I179 WeakPolarHBondContact O-CA 3.46Å; I179-Y195 CarbonylContact O-C 3.41Å; I179-Y195 VanDerWaalsContact O-CA 3.24Å; I179-Y195 WeakPolarHBondContact O-CA 3.35Å; I179-T196 HydrophobicContact CB-CG2 4.09Å; I179-T196 PolarHBondContact N-O 3.12Å; I179-T196 VanDerWaalsContact N-O 3.13Å; I179-T196 PolarHBondContact O-N 3.09Å; I179-I198 HydrophobicContact CD1-CD1 4.3Å; I179-I198 HydrophobicContact CG1-CD1 4.2Å |
| 180 | F | 98.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 158.1 | 174.3 | 76.7 | -89.1 | 0 | 0 | 0 | 112.3 | L54 H58 M73 P111 R116 C118 Y193 S194 | L54-F180 HydrophobicContact CB-CE1 4.3Å; L54-F180 HydrophobicContact CD1-CE1 3.98Å; L54-F180 HydrophobicContact CD1-CE2 4.37Å; L54-F180 HydrophobicContact CD1-CZ 3.81Å; H58-F180 AromaticContact CD2-CE1 3.89Å; H58-F180 AromaticContact CD2-CZ 3.68Å; H58-F180 AromaticContact CE1-CZ 3.96Å; H58-F180 AromaticContact CG-CZ 3.9Å; H58-F180 AromaticContact NE2-CE1 3.68Å; H58-F180 AromaticContact NE2-CZ 3.7Å; M73-F180 HydrophobicContact CE-CB 4.37Å; M73-F180 HydrophobicContact CE-CD1 4.47Å; M73-F180 HydrophobicContact CE-CD2 4.1Å; M73-F180 HydrophobicContact CE-CG 4.08Å; M73-F180 HydrophobicContact SD-CB 3.66Å; M73-F180 HydrophobicContact SD-CD2 4.35Å; M73-F180 HydrophobicContact SD-CG 4.04Å; P111-F180 WeakPolarHBondContact CB-O 3.12Å; R116-F180 VanDerWaalsContact C-CD1 3.44Å; R116-F180 VanDerWaalsContact C-CE1 3.42Å; R116-F180 HydrophobicContact CB-CD1 3.77Å; R116-F180 HydrophobicContact CB-CD2 4.1Å; R116-F180 HydrophobicContact CB-CE1 3.59Å; R116-F180 HydrophobicContact CB-CE2 3.93Å; R116-F180 HydrophobicContact CB-CG 4.03Å; R116-F180 HydrophobicContact CB-CZ 3.67Å; R116-F180 WeakPolarHBondContact CB-O 3.38Å; R116-F180 WeakPolarHBondContact CD-O 3.33Å; R116-F180 HydrophobicContact CG-CD2 4.32Å; R116-F180 HydrophobicContact CG-CE1 4.17Å; R116-F180 HydrophobicContact CG-CE2 3.79Å; R116-F180 HydrophobicContact CG-CZ 3.71Å; R116-F180 WeakPolarHBondContact O-CD1 3.21Å; R116-F180 PolarHBondContact O-N 2.76Å; C118-F180 HydrophobicContact CB-CD1 3.97Å; F180-Y193 HydrophobicContact CD2-CD1 4.12Å; F180-Y193 HydrophobicContact CE2-CD1 4.14Å; F180-Y193 HydrophobicContact CE2-CE1 4.27Å; F180-S194 CarbonylContact C-O 3.51Å; F180-S194 WeakPolarHBondContact CA-O 3.4Å; F180-S194 WeakPolarHBondContact CB-O 3.3Å |
| 181 | D | 98.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.011 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 159.6 | 170.6 | -152.5 | 5.8 | 0 | 0 | 0 | 110 | L77 P79 S80 P111 R116 S194 | L77-D181 HydrophobicContact CD1-CB 4.04Å; L77-D181 HydrophobicContact CD2-CB 4.03Å; L77-D181 HydrophobicContact CG-CB 3.87Å; P79-D181 WeakPolarHBondContact CA-OD2 3.46Å; S80-D181 PolarHBondContact N-OD2 3.46Å; P111-D181 HydrophobicContact CB-CB 4.31Å; P111-D181 HydrophobicContact CG-CB 4.46Å; R116-D181 IonicContact CZ-OD1 3.52Å; R116-D181 IonicContact NH1-OD1 3.56Å; R116-D181 PolarHBondContact NH1-OD1 3.12Å; D181-S194 PolarHBondContact N-O 3.4Å; D181-S194 PolarHBondContact O-N 2.91Å; D181-S194 VanDerWaalsContact O-N 3.1Å |
| 182 | C | 98.6 | Very high | 97.2 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 12% | 0.122 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126.6 | 178.8 | -52.5 | 0 | 0 | 0 | 0 | 108.3 | S80 R116 V191 L192 Y193 | S80-C182 WeakPolarHBondContact CB-O 3.43Å; R116-C182 VanDerWaalsContact CZ-SG 3.56Å; C182-V191 HydrophobicContact CB-CG1 3.82Å; C182-L192 WeakPolarHBondContact CA-O 3.2Å; C182-Y193 WeakPolarHBondContact SG-CE1 3.48Å |
| 183 | W | 98.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.027 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 128.5 | 179.8 | 174 | 79.5 | 0 | 0 | 0 | 110.4 | V78 F82 E84 P87 P185 P186 L192 | V78-W183 HydrophobicContact CB-CB 4.23Å; V78-W183 HydrophobicContact CB-CG 4.46Å; V78-W183 HydrophobicContact CG1-CB 3.86Å; V78-W183 HydrophobicContact CG1-CD2 3.8Å; V78-W183 HydrophobicContact CG1-CE3 4.31Å; V78-W183 HydrophobicContact CG1-CG 3.59Å; F82-W183 HydrophobicContact CD1-CZ2 4.14Å; F82-W183 AromaticContact CD1-NE1 3.94Å; F82-W183 PolarHBondContact O-NE1 3.12Å; E84-W183 WeakPolarHBondContact O-CZ2 3.43Å; P87-W183 HydrophobicContact CG-CE3 4.28Å; P87-W183 HydrophobicContact CG-CH2 4.17Å; P87-W183 HydrophobicContact CG-CZ3 3.73Å; W183-P185 HydrophobicContact CE3-CG 4.2Å; W183-P185 HydrophobicContact CH2-CB 3.84Å; W183-P185 HydrophobicContact CH2-CG 4.09Å; W183-P185 HydrophobicContact CZ3-CB 3.95Å; W183-P185 HydrophobicContact CZ3-CG 3.65Å; W183-P186 HydrophobicContact CZ2-CG 4.35Å; W183-L192 HydrophobicContact CE3-CB 3.85Å; W183-L192 HydrophobicContact CE3-CD2 3.9Å; W183-L192 HydrophobicContact CZ3-CD2 4.36Å; W183-L192 PolarHBondContact N-O 3.27Å; W183-L192 PolarHBondContact O-N 3.24Å |
| 184 | E | 97.6 | Very high | 97.3 | Very high | 145 Ų | 145 | 41.5 Ų | 41.5 | 68% | 0.678 | 24% | 0.244 | S | C | * | . | trans | -95.7 | 124.3 | 175.1 | -77.2 | 165.5 | -153.4 | 0 | 0 | 108.9 | V191 | E184-V191 HydrophobicContact CG-CG2 3.9Š| ||
| 185 | P | 96.2 | Very high | 97.3 | Very high | 29 Ų | 29 | 41.5 Ų | 41.5 | 19% | 0.188 | 24% | 0.244 | C | C | . | . | trans | -58.6 | 129.1 | 175.6 | -21.6 | 30.9 | 0 | 0 | 0 | 111.6 | W183 E187 G188 D190 | W183-P185 HydrophobicContact CE3-CG 4.2Å; W183-P185 HydrophobicContact CH2-CB 3.84Å; W183-P185 HydrophobicContact CH2-CG 4.09Å; W183-P185 HydrophobicContact CZ3-CB 3.95Å; W183-P185 HydrophobicContact CZ3-CG 3.65Å; P185-E187 PolarHBondContact O-N 3.31Å; P185-G188 PolarHBondContact O-N 3.35Å; P185-D190 WeakPolarHBondContact CD-O 3.5Å | ||
| 186 | P | 94.9 | Very high | 97.3 | Very high | 77 Ų | 77 | 40.6 Ų | 40.6 | 50% | 0.5 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.8 | 179 | -25.9 | 32.1 | 0 | 0 | 0 | 114.3 | K83 W183 G188 | K83-P186 WeakPolarHBondContact O-CG 3.44Å; W183-P186 HydrophobicContact CZ2-CG 4.35Å; P186-G188 VanDerWaalsContact C-N 3.27Å |
| 187 | E | 93.6 | Very high | 97.3 | Very high | 161 Ų | 161 | 40.6 Ų | 40.6 | 75% | 0.752 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 0.9 | 179 | -64 | 178.1 | -167.9 | 0 | 0 | 112.7 | S85 P185 | S85-E187 VanDerWaalsContact CB-CD 3.46Å; S85-E187 WeakPolarHBondContact CB-OE1 3.08Å; S85-E187 PolarHBondContact OG-OE1 2.96Å; P185-E187 PolarHBondContact O-N 3.31Å |
| 188 | G | 91.8 | Very high | 97.3 | Very high | 55 Ų | 55 | 40.6 Ų | 40.6 | 57% | 0.567 | 24% | 0.239 | S | C | * | . | trans | 90.3 | 155.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P185 P186 | P185-G188 PolarHBondContact O-N 3.35Å; P186-G188 VanDerWaalsContact C-N 3.27Å | ||
| 189 | G | 92.4 | Very high | 97.3 | Very high | 64 Ų | 64 | 40.6 Ų | 40.6 | 66% | 0.66 | 24% | 0.239 | S | C | * | . | trans | 139.8 | -176.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 190 | D | 95.3 | Very high | 97.3 | Very high | 135 Ų | 135 | 40.9 Ų | 40.9 | 72% | 0.722 | 24% | 0.241 | S | C | * | . | P | Polyproline II helix | trans | -67.9 | 145.9 | 178.3 | -65.6 | -22.8 | 0 | 0 | 0 | 111.7 | P185 L192 | P185-D190 WeakPolarHBondContact CD-O 3.5Å; D190-L192 PolarHBondContact O-N 3.36Å |
| 191 | V | 97.7 | Very high | 97.3 | Very high | 51 Ų | 51 | 43.8 Ų | 43.8 | 31% | 0.309 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 124.4 | 172.4 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | C182 E184 Y193 | C182-V191 HydrophobicContact CB-CG1 3.82Å; E184-V191 HydrophobicContact CG-CG2 3.9Å; V191-Y193 HydrophobicContact CB-CE2 4.19Å; V191-Y193 HydrophobicContact CG1-CD2 4.37Å; V191-Y193 HydrophobicContact CG1-CE2 3.96Å |
| 192 | L | 98.3 | Very high | 97.2 | Very high | 40 Ų | 40 | 44.9 Ų | 44.9 | 21% | 0.209 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 118.3 | 174.2 | -179.2 | 64.2 | 0 | 0 | 0 | 110.3 | R74 V78 P87 C182 W183 D190 | R74-L192 HydrophobicContact CB-CD1 4.12Å; V78-L192 HydrophobicContact CB-CD2 4.23Å; V78-L192 HydrophobicContact CG2-CD2 3.75Å; P87-L192 HydrophobicContact CB-CD2 4.21Å; P87-L192 HydrophobicContact CG-CD2 3.58Å; C182-L192 WeakPolarHBondContact CA-O 3.2Å; W183-L192 HydrophobicContact CE3-CB 3.85Å; W183-L192 HydrophobicContact CE3-CD2 3.9Å; W183-L192 HydrophobicContact CZ3-CD2 4.36Å; W183-L192 PolarHBondContact N-O 3.27Å; W183-L192 PolarHBondContact O-N 3.24Å; D190-L192 PolarHBondContact O-N 3.36Å |
| 193 | Y | 98.8 | Very high | 97.1 | Very high | 67 Ų | 67 | 44.1 Ų | 44.1 | 26% | 0.263 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 126.3 | 166.4 | -69 | -101.3 | 0 | 0 | 0 | 109.6 | M73 R74 F180 C182 V191 | M73-Y193 HydrophobicContact CE-CD1 3.89Å; M73-Y193 HydrophobicContact CE-CG 4.37Å; R74-Y193 PolarHBondContact N-O 3.27Å; F180-Y193 HydrophobicContact CD2-CD1 4.12Å; F180-Y193 HydrophobicContact CE2-CD1 4.14Å; F180-Y193 HydrophobicContact CE2-CE1 4.27Å; C182-Y193 WeakPolarHBondContact SG-CE1 3.48Å; V191-Y193 HydrophobicContact CB-CE2 4.19Å; V191-Y193 HydrophobicContact CG1-CD2 4.37Å; V191-Y193 HydrophobicContact CG1-CE2 3.96Å |
| 194 | S | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 149 | -177.6 | 61.2 | 0 | 0 | 0 | 0 | 111.4 | R74 G76 V78 F180 D181 | R74-S194 CarbonylContact O-C 3.54Å; R74-S194 WeakPolarHBondContact O-CA 3.14Å; R74-S194 WeakPolarHBondContact O-CB 3.44Å; G76-S194 WeakPolarHBondContact O-CB 3.07Å; V78-S194 PolarHBondContact N-OG 2.75Å; F180-S194 CarbonylContact C-O 3.51Å; F180-S194 WeakPolarHBondContact CA-O 3.4Å; F180-S194 WeakPolarHBondContact CB-O 3.3Å; D181-S194 PolarHBondContact N-O 3.4Å; D181-S194 PolarHBondContact O-N 2.91Å; D181-S194 VanDerWaalsContact O-N 3.1Å |
| 195 | Y | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 162.3 | -171.8 | 76.3 | -88.6 | 0 | 0 | 0 | 113.7 | N50 V52 M73 R74 W75 G76 L77 V120 I179 I197 | N50-Y195 HydrophobicContact CB-CE1 4.06Å; N50-Y195 WeakPolarHBondContact CB-OH 3.49Å; V52-Y195 HydrophobicContact CG1-CD1 4.03Å; V52-Y195 HydrophobicContact CG1-CE1 4.14Å; V52-Y195 HydrophobicContact CG1-CG 4.33Å; M73-Y195 HydrophobicContact CB-CD1 3.67Å; M73-Y195 HydrophobicContact CB-CE1 4.33Å; M73-Y195 WeakPolarHBondContact O-CE1 3.44Å; R74-Y195 WeakPolarHBondContact O-CD1 3.04Å; R74-Y195 PolarHBondContact O-N 3.03Å; W75-Y195 HydrophobicContact CB-CE1 3.77Å; W75-Y195 HydrophobicContact CB-CE2 4.27Å; W75-Y195 WeakPolarHBondContact CB-OH 3.2Å; W75-Y195 AromaticContact CD1-CE2 3.6Å; W75-Y195 AromaticContact CD1-CZ 3.8Å; W75-Y195 HydrophobicContact CD2-CE2 4.46Å; W75-Y195 HydrophobicContact CG-CE1 4.28Å; W75-Y195 AromaticContact CG-CE2 3.89Å; W75-Y195 HydrophobicContact CG-CE2 3.89Å; W75-Y195 AromaticContact CG-CZ 3.6Å; G76-Y195 CarbonylContact C-O 3.46Å; G76-Y195 WeakPolarHBondContact CA-O 3.04Å; G76-Y195 PolarHBondContact N-O 2.73Å; L77-Y195 PolarHBondContact N-O 2.99Å; L77-Y195 VanDerWaalsContact N-O 3.1Å; V120-Y195 HydrophobicContact CB-CE2 4.17Å; V120-Y195 HydrophobicContact CG1-CD2 4.42Å; V120-Y195 HydrophobicContact CG1-CE2 3.58Å; V120-Y195 HydrophobicContact CG2-CD2 3.43Å; V120-Y195 VanDerWaalsContact CG2-CD2 3.43Å; V120-Y195 HydrophobicContact CG2-CE2 3.44Å; V120-Y195 VanDerWaalsContact CG2-CE2 3.44Å; V120-Y195 HydrophobicContact CG2-CG 4.25Å; I179-Y195 CarbonylContact O-C 3.41Å; I179-Y195 VanDerWaalsContact O-CA 3.24Å; I179-Y195 WeakPolarHBondContact O-CA 3.35Å; Y195-I197 HydrophobicContact CD2-CG1 4.27Å; Y195-I197 HydrophobicContact CE2-CD1 4.29Å; Y195-I197 HydrophobicContact CE2-CG1 3.78Å |
| 196 | T | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 145.2 | 170 | -163.4 | 0 | 0 | 0 | 0 | 110 | L77 T94 T95 N96 C97 F108 G178 I179 | L77-T196 HydrophobicContact CD1-CG2 4.15Å; T94-T196 WeakPolarHBondContact O-CB 3.18Å; T94-T196 PolarHBondContact O-OG1 2.68Å; T95-T196 PolarHBondContact O-OG1 3.32Å; N96-T196 VanDerWaalsContact CA-OG1 3.26Å; N96-T196 WeakPolarHBondContact CA-OG1 3.21Å; N96-T196 PolarHBondContact N-OG1 3.06Å; C97-T196 HydrophobicContact CB-CG2 3.78Å; C97-T196 PolarHBondContact N-OG1 3.11Å; F108-T196 HydrophobicContact CD1-CG2 3.89Å; F108-T196 HydrophobicContact CE1-CG2 3.82Å; G178-T196 WeakPolarHBondContact CA-O 3.47Å; I179-T196 HydrophobicContact CB-CG2 4.09Å; I179-T196 PolarHBondContact N-O 3.12Å; I179-T196 VanDerWaalsContact N-O 3.13Å; I179-T196 PolarHBondContact O-N 3.09Å |
| 197 | I | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 127 | 175.5 | -61 | 178.4 | 0 | 0 | 0 | 109.2 | W75 T95 N96 C97 V120 M176 Y195 P214 | W75-I197 HydrophobicContact CH2-CD1 4.19Å; W75-I197 HydrophobicContact CZ2-CD1 3.51Å; W75-I197 HydrophobicContact CZ2-CG1 4.46Å; T95-I197 PolarHBondContact O-N 3.48Å; T95-I197 VanDerWaalsContact O-N 3.11Å; N96-I197 CarbonylContact C-O 3.52Å; N96-I197 WeakPolarHBondContact CA-O 3.34Å; C97-I197 PolarHBondContact N-O 3.32Å; V120-I197 HydrophobicContact CG1-CD1 4.42Å; V120-I197 HydrophobicContact CG2-CG1 4.23Å; M176-I197 HydrophobicContact CB-CG2 4.34Å; M176-I197 HydrophobicContact CE-CD1 4.27Å; M176-I197 HydrophobicContact SD-CD1 4.25Å; M176-I197 HydrophobicContact SD-CG2 4.47Å; Y195-I197 HydrophobicContact CD2-CG1 4.27Å; Y195-I197 HydrophobicContact CE2-CD1 4.29Å; Y195-I197 HydrophobicContact CE2-CG1 3.78Å; I197-P214 HydrophobicContact CG2-CB 3.96Å |
| 198 | I | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 137.7 | 173.8 | -57.1 | 173.7 | 0 | 0 | 0 | 108.8 | C97 I102 A177 I179 P214 A215 W226 I241 | C97-I198 CarbonylContact O-C 3.57Å; C97-I198 WeakPolarHBondContact O-CA 3.17Å; I102-I198 HydrophobicContact CD1-CD1 3.66Å; I102-I198 HydrophobicContact CD1-CG1 3.99Å; I102-I198 HydrophobicContact CD1-CG2 4.43Å; A177-I198 HydrophobicContact CB-CD1 4.19Å; A177-I198 WeakPolarHBondContact O-CB 3.44Å; A177-I198 PolarHBondContact O-N 3.49Å; I179-I198 HydrophobicContact CD1-CD1 4.3Å; I179-I198 HydrophobicContact CG1-CD1 4.2Å; I198-P214 CarbonylContact O-C 3.59Å; I198-P214 WeakPolarHBondContact O-CA 3.16Å; I198-A215 HydrophobicContact CB-CB 4.04Å; I198-A215 HydrophobicContact CG2-CB 4Å; I198-A215 PolarHBondContact O-N 3.06Å; I198-W226 HydrophobicContact CD1-CH2 3.49Å; I198-W226 VanDerWaalsContact CD1-CH2 3.49Å; I198-W226 HydrophobicContact CD1-CZ2 3.52Å; I198-I241 HydrophobicContact CD1-CD1 4.17Å; I198-I241 HydrophobicContact CG2-CG2 3.66Å |
| 199 | T | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 148.2 | 178 | 57.9 | 0 | 0 | 0 | 0 | 110.8 | M1 N96 C97 S99 R212 M213 | M1-T199 HydrophobicContact SD-CG2 4.39Å; N96-T199 HydrophobicContact CB-CG2 3.87Å; C97-T199 PolarHBondContact O-N 3.42Å; C97-T199 PolarHBondContact O-OG1 3.17Å; S99-T199 PolarHBondContact N-O 2.98Å; S99-T199 PolarHBondContact OG-O 3.03Å; T199-R212 PolarHBondContact O-NH2 2.84Å; T199-R212 PolarHBondContact OG1-NH2 2.9Å; T199-M213 CarbonylContact C-O 3.58Å; T199-M213 VanDerWaalsContact CA-O 3.26Å; T199-M213 WeakPolarHBondContact CA-O 3.44Å; T199-M213 WeakPolarHBondContact CB-O 3.45Å |
| 200 | V | 98.6 | Very high | 97.3 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 4% | 0.036 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 173.3 | 176.9 | -66.9 | 0 | 0 | 0 | 0 | 109.3 | R212 M213 A215 I241 | V200-R212 WeakPolarHBondContact O-CA 3.26Å; V200-R212 WeakPolarHBondContact O-CD 3.39Å; V200-R212 PolarHBondContact O-NE 3.08Å; V200-M213 HydrophobicContact CG2-CG 3.68Å; V200-M213 PolarHBondContact N-O 3.27Å; V200-M213 PolarHBondContact O-N 2.96Å; V200-A215 HydrophobicContact CG1-CB 4.08Å; V200-I241 HydrophobicContact CG1-CG2 3.79Å |
| 201 | D | 98.3 | Very high | 97.4 | Very high | 63 Ų | 63 | 39.2 Ų | 39.2 | 34% | 0.337 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 145.6 | 170 | -66.1 | -28 | 0 | 0 | 0 | 109.5 | R212 S243 T330 | D201-R212 IonicContact OD1-CZ 3.58Å; D201-R212 IonicContact OD1-NH1 3.13Å; D201-R212 PolarHBondContact OD1-NH1 2.95Å; D201-S243 WeakPolarHBondContact O-CB 3.46Å; D201-T330 PolarHBondContact OD2-OG1 3.32Å |
| 202 | S | 97.4 | Very high | 97.4 | Very high | 25 Ų | 25 | 37 Ų | 37 | 18% | 0.175 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 144.1 | 179.9 | 53.7 | 0 | 0 | 0 | 0 | 111.5 | H210 H211 | S202-H210 WeakPolarHBondContact CB-O 3.32Å; S202-H210 PolarHBondContact OG-O 3.11Å; S202-H210 VanDerWaalsContact OG-O 3.12Å; S202-H211 PolarHBondContact N-O 2.69Å; S202-H211 VanDerWaalsContact OG-C 3.31Å; S202-H211 WeakPolarHBondContact OG-CA 3.26Å |
| 203 | C | 96.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 168.1 | 165.9 | 68.8 | 0 | 0 | 0 | 0 | 111.9 | G205 L206 S207 M213 T244 E245 | C203-G205 VanDerWaalsContact C-N 3.26Å; C203-G205 PolarHBondContact O-N 2.68Å; C203-L206 PolarHBondContact O-N 2.79Å; C203-L206 VanDerWaalsContact O-N 3.14Å; C203-S207 PolarHBondContact O-N 3.38Å; C203-S207 VanDerWaalsContact O-N 3.13Å; C203-M213 HydrophobicContact CB-SD 3.96Å; C203-M213 PolarHBondContact N-SD 3.45Å; C203-T244 WeakPolarHBondContact CB-O 3.33Å; C203-T244 PolarHBondContact SG-O 2.72Å; C203-T244 VanDerWaalsContact SG-O 3.37Å; C203-E245 VanDerWaalsContact CB-CD 3.49Å; C203-E245 HydrophobicContact CB-CG 4.43Å; C203-E245 WeakPolarHBondContact CB-OE1 3.39Å; C203-E245 WeakPolarHBondContact CB-OE2 3.44Å |
| 204 | K | 95.9 | Very high | 97.4 | Very high | 174 Ų | 174 | 32 Ų | 32 | 76% | 0.757 | 17% | 0.174 | S | C | * | . | G | 310 helix | trans | -62.8 | -35.9 | -177.1 | -171.2 | -178.5 | 178.1 | -175.1 | 0 | 111.7 | L206 S207 E245 | K204-L206 PolarHBondContact O-N 2.92Å; K204-S207 PolarHBondContact O-OG 2.9Å; K204-S207 VanDerWaalsContact O-OG 3.09Å; K204-E245 PolarHBondContact N-OE1 3.19Å; K204-E245 VanDerWaalsContact N-OE1 3.11Å |
| 205 | G | 93.9 | Very high | 97.4 | Very high | 42 Ų | 42 | 32 Ų | 32 | 43% | 0.433 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -63.5 | -25.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | C203 F249 | C203-G205 VanDerWaalsContact C-N 3.26Å; C203-G205 PolarHBondContact O-N 2.68Å; G205-F249 VanDerWaalsContact O-CE1 3.25Å; G205-F249 WeakPolarHBondContact O-CE1 3.43Å |
| 206 | L | 96.1 | Very high | 97.4 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -108.6 | -5.7 | -176.4 | -66.8 | 179.6 | 0 | 0 | 0 | 114 | F125 I142 C203 K204 D208 I209 H210 M213 I247 F249 | F125-L206 HydrophobicContact CZ-CD1 4.45Å; I142-L206 HydrophobicContact CD1-CD2 4.02Å; I142-L206 HydrophobicContact CG1-CD2 4.27Å; I142-L206 HydrophobicContact CG2-CD1 4.12Å; I142-L206 HydrophobicContact CG2-CD2 4.03Å; C203-L206 PolarHBondContact O-N 2.79Å; C203-L206 VanDerWaalsContact O-N 3.14Å; K204-L206 PolarHBondContact O-N 2.92Å; L206-D208 PolarHBondContact O-N 2.79Å; L206-I209 HydrophobicContact CD2-CD1 4.01Å; L206-I209 PolarHBondContact O-N 3.22Å; L206-H210 PolarHBondContact O-N 3.42Å; L206-M213 HydrophobicContact CD1-CB 4.25Å; L206-M213 HydrophobicContact CD1-CE 3.96Å; L206-M213 HydrophobicContact CD1-SD 4.24Å; L206-I247 HydrophobicContact CD1-CG1 4.44Å; L206-I247 HydrophobicContact CD1-CG2 3.87Å; L206-I247 HydrophobicContact CD2-CG2 4.43Å; L206-I247 HydrophobicContact CG-CG2 3.98Å; L206-F249 HydrophobicContact CD2-CD1 3.46Å; L206-F249 VanDerWaalsContact CD2-CD1 3.46Å; L206-F249 HydrophobicContact CD2-CE1 3.77Å; L206-F249 HydrophobicContact CD2-CG 4.3Å |
| 207 | S | 95.3 | Very high | 97.4 | Very high | 56 Ų | 56 | 32.4 Ų | 32.4 | 39% | 0.392 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -31.5 | -172.6 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | C203 K204 I209 | C203-S207 PolarHBondContact O-N 3.38Å; C203-S207 VanDerWaalsContact O-N 3.13Å; K204-S207 PolarHBondContact O-OG 2.9Å; K204-S207 VanDerWaalsContact O-OG 3.09Å; S207-I209 VanDerWaalsContact C-N 3.32Å |
| 208 | D | 95.4 | Very high | 97.4 | Very high | 132 Ų | 132 | 35.3 Ų | 35.3 | 71% | 0.706 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -22.6 | 178.6 | -67.1 | -14.4 | 0 | 0 | 0 | 112.6 | Q129 L206 | Q129-D208 WeakPolarHBondContact CG-O 3.23Å; Q129-D208 PolarHBondContact NE2-O 3.17Å; L206-D208 PolarHBondContact O-N 2.79Å |
| 209 | I | 96.4 | Very high | 97.3 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 6% | 0.056 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -55.1 | 175 | -63.8 | 172.6 | 0 | 0 | 0 | 109 | E127 Q129 Y140 L206 S207 F249 | E127-I209 HydrophobicContact CB-CG2 4.08Å; E127-I209 HydrophobicContact CG-CG2 3.91Å; Q129-I209 WeakPolarHBondContact CA-O 3.47Å; Q129-I209 HydrophobicContact CB-CG2 4.29Å; Y140-I209 HydrophobicContact CD1-CD1 4Å; Y140-I209 HydrophobicContact CD2-CD1 4.09Å; Y140-I209 HydrophobicContact CD2-CG1 4.12Å; Y140-I209 HydrophobicContact CD2-CG2 4.14Å; Y140-I209 HydrophobicContact CE1-CD1 4.39Å; Y140-I209 HydrophobicContact CE2-CD1 4.47Å; Y140-I209 HydrophobicContact CE2-CG1 4.2Å; Y140-I209 HydrophobicContact CG-CD1 3.83Å; Y140-I209 HydrophobicContact CG-CG1 4.37Å; L206-I209 HydrophobicContact CD2-CD1 4.01Å; L206-I209 PolarHBondContact O-N 3.22Å; S207-I209 VanDerWaalsContact C-N 3.32Å; I209-F249 HydrophobicContact CD1-CD1 4.12Å; I209-F249 HydrophobicContact CD1-CD2 3.67Å; I209-F249 HydrophobicContact CD1-CE1 4.11Å; I209-F249 HydrophobicContact CD1-CE2 3.66Å; I209-F249 HydrophobicContact CD1-CG 3.9Å; I209-F249 HydrophobicContact CD1-CZ 3.88Å |
| 210 | H | 96.9 | Very high | 97.3 | Very high | 30 Ų | 30 | 40.8 Ų | 40.8 | 14% | 0.139 | 22% | 0.223 | C | C | . | . | trans | -161.1 | 140 | -178.6 | -168.5 | -79.6 | 0 | 0 | 0 | 111.9 | M1 E127 S202 L206 R212 | M1-H210 PolarHBondContact N-CE1 3.02Å; M1-H210 PolarHBondContact N-NE2 2.84Å; E127-H210 HydrophobicContact CG-CB 3.42Å; E127-H210 VanDerWaalsContact CG-CB 3.42Å; E127-H210 IonicContact OE1-CD2 3.44Å; E127-H210 IonicContact OE2-CD2 3.06Å; E127-H210 PolarHBondContact OE2-CD2 2.75Å; E127-H210 IonicContact OE2-CG 3.38Å; E127-H210 IonicContact OE2-ND1 2.73Å; E127-H210 IonicContact OE2-NE2 3.28Å; S202-H210 WeakPolarHBondContact CB-O 3.32Å; S202-H210 PolarHBondContact OG-O 3.11Å; S202-H210 VanDerWaalsContact OG-O 3.12Å; L206-H210 PolarHBondContact O-N 3.42Å; H210-R212 PolarHBondContact ND1-N 2.84Å; H210-R212 PolarHBondContact ND1-O 2.99Å; H210-R212 PolarHBondContact O-N 3Å | ||
| 211 | H | 97.1 | Very high | 97.3 | Very high | 120 Ų | 120 | 46.9 Ų | 46.9 | 56% | 0.556 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -65.9 | 3.1 | -179.6 | 70.7 | -71.7 | 0 | 0 | 0 | 116.8 | S202 | S202-H211 PolarHBondContact N-O 2.69Å; S202-H211 VanDerWaalsContact OG-C 3.31Å; S202-H211 WeakPolarHBondContact OG-CA 3.26Å |
| 212 | R | 97.7 | Very high | 97.3 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 2% | 0.023 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 145.9 | -175.7 | -62 | -69.4 | -73.2 | 176.6 | 1.6 | 109.3 | M1 T199 V200 D201 H210 | M1-R212 HydrophobicContact CG-CB 4.35Å; T199-R212 PolarHBondContact O-NH2 2.84Å; T199-R212 PolarHBondContact OG1-NH2 2.9Å; V200-R212 WeakPolarHBondContact O-CA 3.26Å; V200-R212 WeakPolarHBondContact O-CD 3.39Å; V200-R212 PolarHBondContact O-NE 3.08Å; D201-R212 IonicContact OD1-CZ 3.58Å; D201-R212 IonicContact OD1-NH1 3.13Å; D201-R212 PolarHBondContact OD1-NH1 2.95Å; H210-R212 PolarHBondContact ND1-N 2.84Å; H210-R212 PolarHBondContact ND1-O 2.99Å; H210-R212 PolarHBondContact O-N 3Å |
| 213 | M | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 163.1 | 175 | 66.5 | -174.8 | -68.3 | 0 | 0 | 110.7 | T199 V200 C203 L206 I216 T244 | T199-M213 CarbonylContact C-O 3.58Å; T199-M213 VanDerWaalsContact CA-O 3.26Å; T199-M213 WeakPolarHBondContact CA-O 3.44Å; T199-M213 WeakPolarHBondContact CB-O 3.45Å; V200-M213 HydrophobicContact CG2-CG 3.68Å; V200-M213 PolarHBondContact N-O 3.27Å; V200-M213 PolarHBondContact O-N 2.96Å; C203-M213 HydrophobicContact CB-SD 3.96Å; C203-M213 PolarHBondContact N-SD 3.45Å; L206-M213 HydrophobicContact CD1-CB 4.25Å; L206-M213 HydrophobicContact CD1-CE 3.96Å; L206-M213 HydrophobicContact CD1-SD 4.24Å; M213-I216 HydrophobicContact CE-CD1 3.7Å; M213-T244 HydrophobicContact CE-CG2 4.06Å |
| 214 | P | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 149.2 | 166.9 | -12.5 | 23 | 0 | 0 | 0 | 111 | C2 F125 M176 I197 I198 I216 | C2-P214 HydrophobicContact CB-CG 3.94Å; F125-P214 HydrophobicContact CD1-CG 3.96Å; F125-P214 HydrophobicContact CD2-CG 4.28Å; F125-P214 HydrophobicContact CE1-CG 3.87Å; F125-P214 HydrophobicContact CE2-CG 4.19Å; F125-P214 HydrophobicContact CG-CG 4.15Å; F125-P214 VanDerWaalsContact CZ-CD 3.47Å; F125-P214 HydrophobicContact CZ-CG 3.99Å; M176-P214 HydrophobicContact CB-CB 4.28Å; M176-P214 HydrophobicContact CG-CB 3.75Å; M176-P214 HydrophobicContact CG-CG 4.32Å; M176-P214 HydrophobicContact SD-CB 3.69Å; M176-P214 HydrophobicContact SD-CG 3.72Å; I197-P214 HydrophobicContact CG2-CB 3.96Å; I198-P214 CarbonylContact O-C 3.59Å; I198-P214 WeakPolarHBondContact O-CA 3.16Å; P214-I216 HydrophobicContact CB-CG1 4.28Å; P214-I216 PolarHBondContact O-N 2.92Å |
| 215 | A | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | trans | -72.8 | 107.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | M176 A177 I198 V200 I241 | M176-A215 CarbonylContact C-O 3.56Å; M176-A215 WeakPolarHBondContact CA-O 3.48Å; A177-A215 HydrophobicContact CB-CB 4.1Å; A177-A215 PolarHBondContact N-O 3.38Å; I198-A215 HydrophobicContact CB-CB 4.04Å; I198-A215 HydrophobicContact CG2-CB 4Å; I198-A215 PolarHBondContact O-N 3.06Å; V200-A215 HydrophobicContact CG1-CB 4.08Å; A215-I241 HydrophobicContact CB-CD1 4.1Å; A215-I241 HydrophobicContact CB-CG2 3.9Å | ||
| 216 | I | 98.8 | Very high | 97.9 | Very high | 6 Ų | 6 | 39.2 Ų | 39.2 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -97.9 | 129.6 | -175.4 | -65.9 | 165 | 0 | 0 | 0 | 108.8 | F144 L174 T175 M176 M213 P214 T244 I247 | F144-I216 HydrophobicContact CE1-CG2 3.49Å; F144-I216 VanDerWaalsContact CE1-CG2 3.49Å; F144-I216 HydrophobicContact CE2-CG2 4.24Å; F144-I216 HydrophobicContact CZ-CG2 3.24Å; L174-I216 HydrophobicContact CD1-CD1 3.93Å; L174-I216 HydrophobicContact CD1-CG1 4.19Å; L174-I216 HydrophobicContact CD1-CG2 4.09Å; T175-I216 WeakPolarHBondContact O-CA 3.47Å; M176-I216 HydrophobicContact CG-CG1 4.45Å; M213-I216 HydrophobicContact CE-CD1 3.7Å; P214-I216 HydrophobicContact CB-CG1 4.28Å; P214-I216 PolarHBondContact O-N 2.92Å; I216-T244 HydrophobicContact CB-CG2 3.78Å; I216-T244 HydrophobicContact CD1-CG2 4Å; I216-T244 HydrophobicContact CG1-CG2 4.47Å; I216-T244 HydrophobicContact CG2-CG2 4.04Å; I216-I247 HydrophobicContact CD1-CD1 3.84Å |
| 217 | L | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | trans | -95.5 | 93.7 | 177.4 | -62.5 | 168.6 | 0 | 0 | 0 | 108.7 | V119 T175 A177 G219 A222 V223 W226 L240 | V119-L217 HydrophobicContact CG2-CD1 3.61Å; T175-L217 PolarHBondContact O-N 2.86Å; T175-L217 PolarHBondContact OG1-O 2.79Å; A177-L217 HydrophobicContact CB-CD1 3.89Å; A177-L217 HydrophobicContact CB-CD2 4.28Å; A177-L217 HydrophobicContact CB-CG 3.99Å; L217-G219 PolarHBondContact O-N 3.16Å; L217-A222 HydrophobicContact CB-CB 4.13Å; L217-A222 HydrophobicContact CD2-CB 4.29Å; L217-V223 HydrophobicContact CB-CG2 4.01Å; L217-W226 HydrophobicContact CD1-CB 3.58Å; L217-W226 HydrophobicContact CD1-CD2 4.3Å; L217-W226 HydrophobicContact CD1-CG 3.51Å; L217-W226 HydrophobicContact CD2-CB 4.21Å; L217-W226 HydrophobicContact CD2-CG 4.41Å; L217-L240 HydrophobicContact CD2-CB 3.99Å | ||
| 218 | D | 98.4 | Very high | 98.2 | Very high | 61 Ų | 61 | 37.3 Ų | 37.3 | 33% | 0.326 | 19% | 0.194 | S | C | . | . | trans | -80.7 | 104.4 | -175.5 | -169.9 | 5.4 | 0 | 0 | 0 | 111.5 | F144 R172 N246 | F144-D218 HydrophobicContact CE1-CB 4.28Å; F144-D218 HydrophobicContact CZ-CB 4.43Å; R172-D218 IonicContact CZ-OD1 3.33Å; R172-D218 IonicContact NH1-OD1 3.93Å; R172-D218 PolarHBondContact NH1-OD1 2.81Å; R172-D218 VanDerWaalsContact NH1-OD1 3.13Å; R172-D218 IonicContact NH2-OD1 3.68Å; R172-D218 PolarHBondContact NH2-OD1 2.76Å; D218-N246 PolarHBondContact OD1-ND2 2.96Å; D218-N246 VanDerWaalsContact OD2-CB 3.25Å; D218-N246 WeakPolarHBondContact OD2-CB 3.44Å; D218-N246 PolarHBondContact OD2-ND2 3.43Å | ||
| 219 | G | 97.8 | Very high | 98.3 | Very high | 23 Ų | 23 | 33.5 Ų | 33.5 | 24% | 0.237 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 96.7 | 164.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L217 E221 A222 V223 | L217-G219 PolarHBondContact O-N 3.16Å; G219-E221 VanDerWaalsContact C-N 3.31Å; G219-E221 PolarHBondContact O-N 2.98Å; G219-A222 PolarHBondContact O-N 3.13Å; G219-V223 WeakPolarHBondContact O-CG2 3.47Å; G219-V223 PolarHBondContact O-N 2.74Å; G219-V223 VanDerWaalsContact O-N 3.12Å |
| 220 | E | 98.2 | Very high | 98.4 | Very high | 92 Ų | 92 | 34.9 Ų | 34.9 | 43% | 0.43 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.6 | -30.9 | -171.7 | -73.7 | -57.1 | 117.4 | 0 | 0 | 113.8 | R68 S224 | R68-E220 IonicContact CZ-OE2 3.72Å; R68-E220 IonicContact NH1-OE1 3.73Å; R68-E220 IonicContact NH1-OE2 3.41Å; R68-E220 PolarHBondContact NH1-OE2 2.98Å; R68-E220 IonicContact NH2-OE2 3.49Å; R68-E220 PolarHBondContact NH2-OE2 3.36Å; E220-S224 WeakPolarHBondContact O-CB 3.4Å; E220-S224 PolarHBondContact O-N 2.76Å; E220-S224 PolarHBondContact O-OG 2.69Å |
| 221 | E | 98.4 | Very high | 98.5 | Very high | 134 Ų | 134 | 39.6 Ų | 39.6 | 63% | 0.626 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -65.7 | -47.6 | 177.8 | -172.2 | -173.1 | 166.1 | 0 | 0 | 111.4 | G219 S224 K225 | G219-E221 VanDerWaalsContact C-N 3.31Å; G219-E221 PolarHBondContact O-N 2.98Å; E221-S224 PolarHBondContact O-N 3.12Å; E221-K225 HydrophobicContact CG-CD 4.23Å; E221-K225 WeakPolarHBondContact O-CB 3.2Å; E221-K225 WeakPolarHBondContact O-CG 3.28Å; E221-K225 PolarHBondContact O-N 3.22Å; E221-K225 WeakPolarHBondContact OE1-CE 3.48Å; E221-K225 IonicContact OE1-NZ 2.74Å; E221-K225 PolarHBondContact OE1-NZ 3.47Å |
| 222 | A | 98.8 | Very high | 98.5 | Very high | 18 Ų | 18 | 35 Ų | 35 | 15% | 0.149 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.2 | -43.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L217 G219 W226 | L217-A222 HydrophobicContact CB-CB 4.13Å; L217-A222 HydrophobicContact CD2-CB 4.29Å; G219-A222 PolarHBondContact O-N 3.13Å; A222-W226 VanDerWaalsContact O-CB 3.28Å; A222-W226 WeakPolarHBondContact O-CB 3.35Å; A222-W226 PolarHBondContact O-N 3.25Å |
| 223 | V | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.1 | -49.5 | 174.7 | 168.5 | 0 | 0 | 0 | 0 | 110.9 | V119 T175 L217 G219 W226 L227 | V119-V223 HydrophobicContact CG2-CG1 4.19Å; T175-V223 HydrophobicContact CG2-CG2 4.05Å; L217-V223 HydrophobicContact CB-CG2 4.01Å; G219-V223 WeakPolarHBondContact O-CG2 3.47Å; G219-V223 PolarHBondContact O-N 2.74Å; G219-V223 VanDerWaalsContact O-N 3.12Å; V223-W226 PolarHBondContact O-N 2.96Å; V223-L227 HydrophobicContact CG1-CD1 3.78Å; V223-L227 HydrophobicContact CG1-CG 4.41Å; V223-L227 WeakPolarHBondContact O-CB 3.1Å; V223-L227 VanDerWaalsContact O-CG 3.29Å; V223-L227 WeakPolarHBondContact O-CG 3.43Å; V223-L227 PolarHBondContact O-N 3.49Å |
| 224 | S | 98.8 | Very high | 98.6 | Very high | 40 Ų | 40 | 39 Ų | 39 | 28% | 0.28 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.6 | -47.8 | -178.2 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | R68 E220 E221 W226 L227 D228 | R68-S224 PolarHBondContact NH2-OG 3.02Å; E220-S224 WeakPolarHBondContact O-CB 3.4Å; E220-S224 PolarHBondContact O-N 2.76Å; E220-S224 PolarHBondContact O-OG 2.69Å; E221-S224 PolarHBondContact O-N 3.12Å; S224-W226 VanDerWaalsContact C-N 3.3Å; S224-W226 PolarHBondContact O-N 2.82Å; S224-L227 PolarHBondContact O-N 2.97Å; S224-D228 VanDerWaalsContact O-CB 3.28Å; S224-D228 WeakPolarHBondContact O-CB 3.41Å; S224-D228 PolarHBondContact O-N 3.33Å |
| 225 | K | 98.8 | Very high | 98.5 | Very high | 85 Ų | 85 | 40.9 Ų | 40.9 | 37% | 0.37 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.9 | -38.8 | 177.5 | -74.3 | 176.1 | 172.3 | 171.3 | 0 | 112.2 | R117 E221 V232 L240 | R117-K225 PolarHBondContact NH2-O 2.69Å; E221-K225 HydrophobicContact CG-CD 4.23Å; E221-K225 WeakPolarHBondContact O-CB 3.2Å; E221-K225 WeakPolarHBondContact O-CG 3.28Å; E221-K225 PolarHBondContact O-N 3.22Å; E221-K225 WeakPolarHBondContact OE1-CE 3.48Å; E221-K225 IonicContact OE1-NZ 2.74Å; E221-K225 PolarHBondContact OE1-NZ 3.47Å; K225-V232 HydrophobicContact CB-CG2 4.21Å; K225-V232 HydrophobicContact CG-CG2 4.3Å; K225-V232 WeakPolarHBondContact O-CB 3.38Å; K225-L240 HydrophobicContact CB-CD1 3.7Å; K225-L240 HydrophobicContact CD-CD2 4.47Å |
| 226 | W | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.6 | -38.2 | 176.7 | -174.9 | -103.3 | 0 | 0 | 0 | 112.3 | L112 R117 C118 A177 G178 I198 L217 A222 V223 S224 A237 L240 I241 | L112-W226 HydrophobicContact CD1-CH2 4.37Å; R117-W226 HydrophobicContact CB-CD2 4.37Å; R117-W226 HydrophobicContact CB-CZ2 4.13Å; R117-W226 WeakPolarHBondContact CB-O 3.2Å; R117-W226 HydrophobicContact CG-CH2 4.41Å; R117-W226 HydrophobicContact CG-CZ2 4.05Å; R117-W226 PolarHBondContact NE-O 3.38Å; R117-W226 PolarHBondContact NH2-O 3.18Å; C118-W226 PolarHBondContact O-NE1 2.97Å; A177-W226 HydrophobicContact CB-CD2 4.25Å; A177-W226 HydrophobicContact CB-CZ2 4.01Å; G178-W226 PolarHBondContact O-NE1 3.23Å; I198-W226 HydrophobicContact CD1-CH2 3.49Å; I198-W226 VanDerWaalsContact CD1-CH2 3.49Å; I198-W226 HydrophobicContact CD1-CZ2 3.52Å; L217-W226 HydrophobicContact CD1-CB 3.58Å; L217-W226 HydrophobicContact CD1-CD2 4.3Å; L217-W226 HydrophobicContact CD1-CG 3.51Å; L217-W226 HydrophobicContact CD2-CB 4.21Å; L217-W226 HydrophobicContact CD2-CG 4.41Å; A222-W226 VanDerWaalsContact O-CB 3.28Å; A222-W226 WeakPolarHBondContact O-CB 3.35Å; A222-W226 PolarHBondContact O-N 3.25Å; V223-W226 PolarHBondContact O-N 2.96Å; S224-W226 VanDerWaalsContact C-N 3.3Å; S224-W226 PolarHBondContact O-N 2.82Å; W226-A237 HydrophobicContact CE3-CB 3.86Å; W226-A237 HydrophobicContact CZ3-CB 3.89Å; W226-A237 WeakPolarHBondContact CZ3-O 3.25Å; W226-L240 HydrophobicContact CB-CD1 4.17Å; W226-I241 HydrophobicContact CE3-CD1 3.96Å; W226-I241 HydrophobicContact CE3-CG1 4.47Å; W226-I241 HydrophobicContact CH2-CD1 3.83Å; W226-I241 HydrophobicContact CH2-CG1 4.12Å; W226-I241 HydrophobicContact CZ2-CD1 4.42Å; W226-I241 HydrophobicContact CZ3-CD1 3.56Å; W226-I241 HydrophobicContact CZ3-CG1 3.74Å |
| 227 | L | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -76.9 | -35.9 | -179.9 | -68.8 | 177.9 | 0 | 0 | 0 | 113.2 | L53 S55 R68 V119 V223 S224 F229 | L53-L227 HydrophobicContact CB-CD1 3.85Å; L53-L227 HydrophobicContact CB-CD2 4.25Å; L53-L227 HydrophobicContact CD1-CD1 4.42Å; L53-L227 VanDerWaalsContact O-CD2 3.3Å; L53-L227 WeakPolarHBondContact O-CD2 3.42Å; S55-L227 WeakPolarHBondContact CB-O 3.38Å; R68-L227 HydrophobicContact CG-CD1 3.95Å; V119-L227 HydrophobicContact CB-CD2 4.38Å; V119-L227 HydrophobicContact CG2-CD1 4.3Å; V119-L227 HydrophobicContact CG2-CD2 3.77Å; V119-L227 HydrophobicContact CG2-CG 3.89Å; V223-L227 HydrophobicContact CG1-CD1 3.78Å; V223-L227 HydrophobicContact CG1-CG 4.41Å; V223-L227 WeakPolarHBondContact O-CB 3.1Å; V223-L227 VanDerWaalsContact O-CG 3.29Å; V223-L227 WeakPolarHBondContact O-CG 3.43Å; V223-L227 PolarHBondContact O-N 3.49Å; S224-L227 PolarHBondContact O-N 2.97Å; L227-F229 PolarHBondContact O-N 3.32Å |
| 228 | D | 98.6 | Very high | 98.5 | Very high | 16 Ų | 16 | 44.6 Ų | 44.6 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | trans | -79.3 | 78.1 | -172 | -164.4 | -20.3 | 0 | 0 | 0 | 112.1 | R23 S65 R117 S224 G230 E231 V232 | R23-D228 IonicContact CZ-OD2 2.95Å; R23-D228 IonicContact NH2-OD1 3.28Å; R23-D228 IonicContact NH2-OD2 3.15Å; R23-D228 PolarHBondContact NH2-OD2 3.08Å; S65-D228 VanDerWaalsContact CB-OD1 3.24Å; S65-D228 WeakPolarHBondContact CB-OD1 3.18Å; S65-D228 PolarHBondContact OG-OD1 2.91Å; R117-D228 VanDerWaalsContact NH2-C 3.32Å; R117-D228 PolarHBondContact NH2-O 3.13Å; R117-D228 VanDerWaalsContact NH2-O 3.15Å; S224-D228 VanDerWaalsContact O-CB 3.28Å; S224-D228 WeakPolarHBondContact O-CB 3.41Å; S224-D228 PolarHBondContact O-N 3.33Å; D228-G230 PolarHBondContact O-N 3.03Å; D228-G230 PolarHBondContact OD1-N 3.11Å; D228-E231 PolarHBondContact OD1-N 3.27Å; D228-E231 VanDerWaalsContact OD1-N 3.11Å; D228-V232 HydrophobicContact CB-CG2 4.48Å; D228-V232 WeakPolarHBondContact O-CA 3.24Å; D228-V232 VanDerWaalsContact O-CB 3.24Å; D228-V232 WeakPolarHBondContact O-CB 3.36Å; D228-V232 PolarHBondContact O-N 3.46Å | ||
| 229 | F | 98.6 | Very high | 98.5 | Very high | 52 Ų | 52 | 46.1 Ų | 46.1 | 23% | 0.228 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -11.9 | 177 | 80.3 | -86 | 0 | 0 | 0 | 114 | L57 H58 R117 L227 | L57-F229 HydrophobicContact CB-CE1 3.81Å; L57-F229 HydrophobicContact CB-CZ 3.89Å; L57-F229 HydrophobicContact CD2-CE1 4.03Å; L57-F229 HydrophobicContact CD2-CE2 3.96Å; L57-F229 HydrophobicContact CD2-CZ 3.53Å; L57-F229 HydrophobicContact CG-CE1 4.06Å; L57-F229 HydrophobicContact CG-CE2 4.44Å; L57-F229 HydrophobicContact CG-CZ 3.6Å; H58-F229 AromaticContact CD2-CE1 3.79Å; H58-F229 AromaticContact CE1-CD1 3.5Å; H58-F229 AromaticContact CE1-CE1 3.22Å; H58-F229 WeakPolarHBondContact CE1-CE1 3.11Å; H58-F229 AromaticContact CE1-CZ 3.63Å; H58-F229 AromaticContact CG-CE1 3.85Å; H58-F229 AromaticContact ND1-CE1 3.51Å; H58-F229 AromaticContact ND1-CZ 3.69Å; H58-F229 AromaticContact NE2-CD1 3.47Å; H58-F229 WeakPolarHBondContact NE2-CD1 3.41Å; H58-F229 AromaticContact NE2-CE1 3.44Å; H58-F229 WeakPolarHBondContact NE2-CE1 3.31Å; R117-F229 VanDerWaalsContact NH2-CA 3.25Å; L227-F229 PolarHBondContact O-N 3.32Å |
| 230 | G | 97.9 | Very high | 98.5 | Very high | 41 Ų | 41 | 46.6 Ų | 46.6 | 42% | 0.423 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -40 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D228 | D228-G230 PolarHBondContact O-N 3.03Å; D228-G230 PolarHBondContact OD1-N 3.11Å |
| 231 | E | 98.3 | Very high | 98.6 | Very high | 128 Ų | 128 | 42.7 Ų | 42.7 | 60% | 0.598 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106 | -28.1 | -177.6 | -54.3 | -59.8 | 154.3 | 0 | 0 | 113.6 | R23 D228 | R23-E231 IonicContact CZ-OE1 3.85Å; R23-E231 VanDerWaalsContact NH1-CD 3.33Å; R23-E231 IonicContact NH1-OE1 2.89Å; R23-E231 PolarHBondContact NH1-OE1 3.26Å; R23-E231 IonicContact NH2-OE1 2.75Å; D228-E231 PolarHBondContact OD1-N 3.27Å; D228-E231 VanDerWaalsContact OD1-N 3.11Å |
| 232 | V | 98.7 | Very high | 98.5 | Very high | 23 Ų | 23 | 41.6 Ų | 41.6 | 14% | 0.139 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -105.9 | 111.2 | -174.6 | -173.4 | 0 | 0 | 0 | 0 | 110.6 | R117 K225 D228 E236 A237 | R117-V232 PolarHBondContact NH1-O 3.41Å; R117-V232 PolarHBondContact NH2-O 3.25Å; K225-V232 HydrophobicContact CB-CG2 4.21Å; K225-V232 HydrophobicContact CG-CG2 4.3Å; K225-V232 WeakPolarHBondContact O-CB 3.38Å; D228-V232 HydrophobicContact CB-CG2 4.48Å; D228-V232 WeakPolarHBondContact O-CA 3.24Å; D228-V232 VanDerWaalsContact O-CB 3.24Å; D228-V232 WeakPolarHBondContact O-CB 3.36Å; D228-V232 PolarHBondContact O-N 3.46Å; V232-E236 HydrophobicContact CG1-CB 3.75Å; V232-A237 HydrophobicContact CG1-CB 4.17Å |
| 233 | S | 98.6 | Very high | 98.5 | Very high | 60 Ų | 60 | 43.1 Ų | 43.1 | 42% | 0.42 | 23% | 0.231 | S | C | . | . | trans | -59.8 | 158 | 176.1 | 80.2 | 0 | 0 | 0 | 0 | 111.9 | Q235 E236 A237 | S233-Q235 PolarHBondContact O-N 3.33Å; S233-Q235 PolarHBondContact OG-N 3.06Å; S233-E236 PolarHBondContact O-N 2.71Å; S233-E236 PolarHBondContact OG-N 2.73Å; S233-A237 WeakPolarHBondContact O-CB 3.5Å; S233-A237 PolarHBondContact O-N 3.11Å | ||
| 234 | T | 98.4 | Very high | 98.4 | Very high | 32 Ų | 32 | 44 Ų | 44 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.6 | -37.3 | 175 | -62.6 | 0 | 0 | 0 | 0 | 112.3 | M103 L112 A237 L238 | M103-T234 HydrophobicContact CE-CG2 4.42Å; M103-T234 HydrophobicContact SD-CG2 4.39Å; L112-T234 HydrophobicContact CD1-CG2 4.29Å; L112-T234 HydrophobicContact CD2-CG2 3.63Å; L112-T234 HydrophobicContact CG-CG2 3.62Å; L112-T234 PolarHBondContact O-OG1 3.16Å; T234-A237 PolarHBondContact O-N 2.86Å; T234-L238 HydrophobicContact CG2-CD1 3.99Å; T234-L238 HydrophobicContact CG2-CG 4.32Å; T234-L238 WeakPolarHBondContact O-CB 3.46Å; T234-L238 VanDerWaalsContact O-CG 3.27Å; T234-L238 WeakPolarHBondContact O-CG 3.47Å; T234-L238 PolarHBondContact O-N 2.96Å |
| 235 | Q | 97.7 | Very high | 98.4 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 19% | 0.187 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.9 | -47.4 | 179.8 | -166.2 | -170.7 | 17.5 | 0 | 0 | 111.4 | S233 L238 W337 L338 | S233-Q235 PolarHBondContact O-N 3.33Å; S233-Q235 PolarHBondContact OG-N 3.06Å; Q235-L238 PolarHBondContact O-N 2.73Å; Q235-W337 HydrophobicContact CB-CH2 4.14Å; Q235-W337 HydrophobicContact CB-CZ3 4.22Å; Q235-W337 HydrophobicContact CG-CH2 4.15Å; Q235-W337 HydrophobicContact CG-CZ3 3.89Å; Q235-L338 HydrophobicContact CG-CD2 3.53Å; Q235-L338 PolarHBondContact NE2-O 3.11Å |
| 236 | E | 98.5 | Very high | 98.3 | Very high | 84 Ų | 84 | 46.4 Ų | 46.4 | 39% | 0.393 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.8 | -41.2 | 177.2 | -67.3 | -50.8 | 120.7 | 0 | 0 | 111.7 | V232 S233 L238 K239 | V232-E236 HydrophobicContact CG1-CB 3.75Å; S233-E236 PolarHBondContact O-N 2.71Å; S233-E236 PolarHBondContact OG-N 2.73Å; E236-L238 VanDerWaalsContact C-N 3.32Å; E236-L238 PolarHBondContact O-N 3.04Å; E236-K239 WeakPolarHBondContact O-CB 3.17Å; E236-K239 PolarHBondContact O-N 3.24Å; E236-K239 VanDerWaalsContact O-N 3.17Å; E236-K239 VanDerWaalsContact OE1-CE 3.31Å; E236-K239 WeakPolarHBondContact OE1-CE 3.15Å; E236-K239 IonicContact OE1-NZ 2.65Å; E236-K239 PolarHBondContact OE1-NZ 3.44Å; E236-K239 WeakPolarHBondContact OE2-CE 3.37Å; E236-K239 IonicContact OE2-NZ 2.64Å; E236-K239 PolarHBondContact OE2-NZ 3.24Å |
| 237 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W226 V232 S233 T234 K239 L240 | W226-A237 HydrophobicContact CE3-CB 3.86Å; W226-A237 HydrophobicContact CZ3-CB 3.89Å; W226-A237 WeakPolarHBondContact CZ3-O 3.25Å; V232-A237 HydrophobicContact CG1-CB 4.17Å; S233-A237 WeakPolarHBondContact O-CB 3.5Å; S233-A237 PolarHBondContact O-N 3.11Å; T234-A237 PolarHBondContact O-N 2.86Å; A237-K239 PolarHBondContact O-N 3.29Å; A237-L240 VanDerWaalsContact O-CB 3.3Å; A237-L240 WeakPolarHBondContact O-CB 3.26Å; A237-L240 WeakPolarHBondContact O-CG 3.42Å; A237-L240 PolarHBondContact O-N 3.31Å; A237-L240 VanDerWaalsContact O-N 3.12Å |
| 238 | L | 98.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67 | -20.7 | 179 | -75.2 | 174.4 | 0 | 0 | 0 | 113.5 | I102 M103 L112 T234 Q235 E236 L240 I241 L334 W337 | I102-L238 HydrophobicContact CD1-CD2 4.28Å; I102-L238 HydrophobicContact CG2-CD2 4.02Å; M103-L238 HydrophobicContact CG-CD1 4.04Å; M103-L238 HydrophobicContact SD-CD1 3.86Å; L112-L238 HydrophobicContact CD2-CD1 4.36Å; L112-L238 HydrophobicContact CD2-CD2 4.21Å; L112-L238 HydrophobicContact CD2-CG 4.5Å; T234-L238 HydrophobicContact CG2-CD1 3.99Å; T234-L238 HydrophobicContact CG2-CG 4.32Å; T234-L238 WeakPolarHBondContact O-CB 3.46Å; T234-L238 VanDerWaalsContact O-CG 3.27Å; T234-L238 WeakPolarHBondContact O-CG 3.47Å; T234-L238 PolarHBondContact O-N 2.96Å; Q235-L238 PolarHBondContact O-N 2.73Å; E236-L238 VanDerWaalsContact C-N 3.32Å; E236-L238 PolarHBondContact O-N 3.04Å; L238-L240 PolarHBondContact O-N 3.06Å; L238-I241 HydrophobicContact CD2-CG1 4.28Å; L238-I241 WeakPolarHBondContact O-CB 3.08Å; L238-I241 PolarHBondContact O-N 2.96Å; L238-I241 VanDerWaalsContact O-N 3.12Å; L238-L334 HydrophobicContact CD1-CD1 4.25Å; L238-W337 HydrophobicContact CD1-CZ3 4.21Å |
| 239 | K | 98.5 | Very high | 98.1 | Very high | 94 Ų | 94 | 52.4 Ų | 52.4 | 41% | 0.409 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -20.7 | 173.2 | -62.4 | 177.5 | -171.9 | 168.7 | 0 | 112.8 | E236 A237 I241 H242 | E236-K239 WeakPolarHBondContact O-CB 3.17Å; E236-K239 PolarHBondContact O-N 3.24Å; E236-K239 VanDerWaalsContact O-N 3.17Å; E236-K239 VanDerWaalsContact OE1-CE 3.31Å; E236-K239 WeakPolarHBondContact OE1-CE 3.15Å; E236-K239 IonicContact OE1-NZ 2.65Å; E236-K239 PolarHBondContact OE1-NZ 3.44Å; E236-K239 WeakPolarHBondContact OE2-CE 3.37Å; E236-K239 IonicContact OE2-NZ 2.64Å; E236-K239 PolarHBondContact OE2-NZ 3.24Å; A237-K239 PolarHBondContact O-N 3.29Å; K239-I241 PolarHBondContact O-N 2.9Å; K239-H242 PolarHBondContact O-CD2 3.4Å |
| 240 | L | 98.5 | Very high | 98.1 | Very high | 33 Ų | 33 | 51.7 Ų | 51.7 | 17% | 0.173 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -9.6 | 175.8 | -50.9 | 173.3 | 0 | 0 | 0 | 112.4 | L217 K225 W226 A237 L238 H242 | L217-L240 HydrophobicContact CD2-CB 3.99Å; K225-L240 HydrophobicContact CB-CD1 3.7Å; K225-L240 HydrophobicContact CD-CD2 4.47Å; W226-L240 HydrophobicContact CB-CD1 4.17Å; A237-L240 VanDerWaalsContact O-CB 3.3Å; A237-L240 WeakPolarHBondContact O-CB 3.26Å; A237-L240 WeakPolarHBondContact O-CG 3.42Å; A237-L240 PolarHBondContact O-N 3.31Å; A237-L240 VanDerWaalsContact O-N 3.12Å; L238-L240 PolarHBondContact O-N 3.06Å; L240-H242 PolarHBondContact O-N 3.11Å |
| 241 | I | 98.7 | Very high | 98.1 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.051 | 26% | 0.257 | C | S | . | . | trans | -94.1 | 86.7 | -172.4 | -55 | -55.6 | 0 | 0 | 0 | 110 | A177 I198 V200 A215 W226 L238 K239 | A177-I241 HydrophobicContact CB-CD1 3.51Å; I198-I241 HydrophobicContact CD1-CD1 4.17Å; I198-I241 HydrophobicContact CG2-CG2 3.66Å; V200-I241 HydrophobicContact CG1-CG2 3.79Å; A215-I241 HydrophobicContact CB-CD1 4.1Å; A215-I241 HydrophobicContact CB-CG2 3.9Å; W226-I241 HydrophobicContact CE3-CD1 3.96Å; W226-I241 HydrophobicContact CE3-CG1 4.47Å; W226-I241 HydrophobicContact CH2-CD1 3.83Å; W226-I241 HydrophobicContact CH2-CG1 4.12Å; W226-I241 HydrophobicContact CZ2-CD1 4.42Å; W226-I241 HydrophobicContact CZ3-CD1 3.56Å; W226-I241 HydrophobicContact CZ3-CG1 3.74Å; L238-I241 HydrophobicContact CD2-CG1 4.28Å; L238-I241 WeakPolarHBondContact O-CB 3.08Å; L238-I241 PolarHBondContact O-N 2.96Å; L238-I241 VanDerWaalsContact O-N 3.12Å; K239-I241 PolarHBondContact O-N 2.9Å | ||
| 242 | H | 98.3 | Very high | 98.1 | Very high | 111 Ų | 111 | 44.1 Ų | 44.1 | 51% | 0.514 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -144.4 | 172.8 | 175.2 | 56.5 | 80.9 | 0 | 0 | 0 | 111 | K239 L240 | K239-H242 PolarHBondContact O-CD2 3.4Å; L240-H242 PolarHBondContact O-N 3.11Å |
| 243 | S | 97.6 | Very high | 98 | Very high | 50 Ų | 50 | 44.4 Ų | 44.4 | 35% | 0.35 | 23% | 0.232 | S | C | . | . | trans | -68.7 | 152.2 | 171.9 | 53.4 | 0 | 0 | 0 | 0 | 110.8 | D201 | D201-S243 WeakPolarHBondContact O-CB 3.46Š| ||
| 244 | T | 97.3 | Very high | 97.9 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 12% | 0.117 | 24% | 0.24 | C | C | . | . | trans | -123.3 | 144 | 171.3 | -177 | 0 | 0 | 0 | 0 | 109.7 | C203 M213 I216 N246 | C203-T244 WeakPolarHBondContact CB-O 3.33Å; C203-T244 PolarHBondContact SG-O 2.72Å; C203-T244 VanDerWaalsContact SG-O 3.37Å; M213-T244 HydrophobicContact CE-CG2 4.06Å; I216-T244 HydrophobicContact CB-CG2 3.78Å; I216-T244 HydrophobicContact CD1-CG2 4Å; I216-T244 HydrophobicContact CG1-CG2 4.47Å; I216-T244 HydrophobicContact CG2-CG2 4.04Å; T244-N246 PolarHBondContact OG1-N 3.17Å; T244-N246 VanDerWaalsContact OG1-N 3.16Å | ||
| 245 | E | 97.6 | Very high | 97.9 | Very high | 119 Ų | 119 | 45.9 Ų | 45.9 | 56% | 0.556 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -90.1 | -11.1 | 172.4 | -62.1 | -67.4 | 165 | 0 | 0 | 111.7 | C203 K204 I247 | C203-E245 VanDerWaalsContact CB-CD 3.49Å; C203-E245 HydrophobicContact CB-CG 4.43Å; C203-E245 WeakPolarHBondContact CB-OE1 3.39Å; C203-E245 WeakPolarHBondContact CB-OE2 3.44Å; K204-E245 PolarHBondContact N-OE1 3.19Å; K204-E245 VanDerWaalsContact N-OE1 3.11Å; E245-I247 PolarHBondContact O-N 3.4Å |
| 246 | N | 97.6 | Very high | 97.9 | Very high | 56 Ų | 56 | 44 Ų | 44 | 30% | 0.299 | 23% | 0.233 | S | C | . | . | trans | -78.7 | 66.2 | -179.9 | -170.3 | 19.6 | 0 | 0 | 0 | 111.4 | F144 P145 R172 D218 T244 | F144-N246 WeakPolarHBondContact CD1-O 3.44Å; P145-N246 WeakPolarHBondContact CD-OD1 3.31Å; P145-N246 WeakPolarHBondContact CG-OD1 3.46Å; R172-N246 PolarHBondContact NH1-ND2 3.15Å; D218-N246 PolarHBondContact OD1-ND2 2.96Å; D218-N246 VanDerWaalsContact OD2-CB 3.25Å; D218-N246 WeakPolarHBondContact OD2-CB 3.44Å; D218-N246 PolarHBondContact OD2-ND2 3.43Å; T244-N246 PolarHBondContact OG1-N 3.17Å; T244-N246 VanDerWaalsContact OG1-N 3.16Å | ||
| 247 | I | 97.1 | Very high | 97.9 | Very high | 20 Ų | 20 | 43.5 Ų | 43.5 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | trans | -144 | 149.1 | -178.2 | -159.3 | 72.6 | 0 | 0 | 0 | 109.7 | I142 Y143 L174 L206 I216 E245 | I142-I247 HydrophobicContact CG2-CD1 3.95Å; I142-I247 HydrophobicContact CG2-CG1 3.36Å; Y143-I247 WeakPolarHBondContact O-CD1 3.38Å; L174-I247 HydrophobicContact CD1-CD1 3.92Å; L206-I247 HydrophobicContact CD1-CG1 4.44Å; L206-I247 HydrophobicContact CD1-CG2 3.87Å; L206-I247 HydrophobicContact CD2-CG2 4.43Å; L206-I247 HydrophobicContact CG-CG2 3.98Å; I216-I247 HydrophobicContact CD1-CD1 3.84Å; E245-I247 PolarHBondContact O-N 3.4Å | ||
| 248 | T | 97.8 | Very high | 97.9 | Very high | 53 Ų | 53 | 47.3 Ų | 47.3 | 33% | 0.325 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 168 | 171.8 | -164.4 | 0 | 0 | 0 | 0 | 110.2 | I142 Y143 P145 | I142-T248 WeakPolarHBondContact CA-O 3.39Å; Y143-T248 HydrophobicContact CD2-CG2 3.97Å; Y143-T248 HydrophobicContact CE1-CG2 4.3Å; Y143-T248 HydrophobicContact CE2-CG2 3.56Å; Y143-T248 HydrophobicContact CG-CG2 4.47Å; Y143-T248 PolarHBondContact N-O 2.89Å; Y143-T248 PolarHBondContact O-N 3.21Å; Y143-T248 VanDerWaalsContact O-O 3.07Å; P145-T248 HydrophobicContact CG-CG2 4.4Å |
| 249 | F | 97.9 | Very high | 97.8 | Very high | 74 Ų | 74 | 49.9 Ų | 49.9 | 33% | 0.325 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 160.2 | -177 | 58.1 | -94.8 | 0 | 0 | 0 | 111.9 | Y140 F141 I142 G205 L206 I209 | Y140-F249 AromaticContact CD1-CD2 3.7Å; Y140-F249 HydrophobicContact CD1-CD2 3.7Å; Y140-F249 HydrophobicContact CD1-CE2 4.28Å; Y140-F249 HydrophobicContact CE1-CD2 4.07Å; Y140-F249 HydrophobicContact CE1-CE2 4.23Å; F141-F249 WeakPolarHBondContact O-CA 3.33Å; F141-F249 VanDerWaalsContact O-CB 3.3Å; F141-F249 WeakPolarHBondContact O-CB 3.48Å; I142-F249 HydrophobicContact CB-CB 4.25Å; I142-F249 HydrophobicContact CG1-CB 3.73Å; I142-F249 HydrophobicContact CG2-CB 4.42Å; G205-F249 VanDerWaalsContact O-CE1 3.25Å; G205-F249 WeakPolarHBondContact O-CE1 3.43Å; L206-F249 HydrophobicContact CD2-CD1 3.46Å; L206-F249 VanDerWaalsContact CD2-CD1 3.46Å; L206-F249 HydrophobicContact CD2-CE1 3.77Å; L206-F249 HydrophobicContact CD2-CG 4.3Å; I209-F249 HydrophobicContact CD1-CD1 4.12Å; I209-F249 HydrophobicContact CD1-CD2 3.67Å; I209-F249 HydrophobicContact CD1-CE1 4.11Å; I209-F249 HydrophobicContact CD1-CE2 3.66Å; I209-F249 HydrophobicContact CD1-CG 3.9Å; I209-F249 HydrophobicContact CD1-CZ 3.88Å |
| 250 | H | 97.6 | Very high | 97.8 | Very high | 37 Ų | 37 | 55.9 Ų | 55.9 | 17% | 0.171 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 156.3 | 167.2 | 56.5 | -104.6 | 0 | 0 | 0 | 110.3 | Y140 F141 Y143 L267 P269 | Y140-H250 WeakPolarHBondContact CA-O 3.5Å; F141-H250 AromaticContact CD1-CE1 3.83Å; F141-H250 AromaticContact CD1-NE2 3.95Å; F141-H250 PolarHBondContact N-O 2.77Å; F141-H250 PolarHBondContact O-N 2.95Å; F141-H250 VanDerWaalsContact O-N 3.13Å; Y143-H250 AromaticContact CE1-CE1 3.47Å; Y143-H250 VanDerWaalsContact CE1-CE1 3.47Å; Y143-H250 WeakPolarHBondContact CE1-CE1 3.5Å; Y143-H250 AromaticContact CE1-ND1 3.35Å; Y143-H250 VanDerWaalsContact CE1-ND1 3.35Å; Y143-H250 WeakPolarHBondContact CE1-ND1 3.31Å; Y143-H250 AromaticContact CZ-CE1 3.84Å; Y143-H250 AromaticContact CZ-ND1 3.59Å; Y143-H250 PolarHBondContact OH-ND1 2.94Å; H250-L267 PolarHBondContact NE2-O 2.72Å; H250-P269 HydrophobicContact CB-CB 4.49Å |
| 251 | A | 97.9 | Very high | 97.8 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 7% | 0.066 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 144 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y140 P269 V270 L272 | Y140-A251 HydrophobicContact CD1-CB 4.19Å; Y140-A251 HydrophobicContact CE1-CB 3.91Å; A251-P269 WeakPolarHBondContact O-CA 3.49Å; A251-V270 HydrophobicContact CB-CG2 4.11Å; A251-V270 PolarHBondContact O-N 3.29Å; A251-L272 HydrophobicContact CB-CD1 4.24Å; A251-L272 HydrophobicContact CB-CD2 3.59Å; A251-L272 HydrophobicContact CB-CG 3.83Å |
| 252 | V | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -124.7 | 170.1 | 177 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | Y126 Q138 P139 F141 V256 V270 | Y126-V252 HydrophobicContact CD1-CG2 4.36Å; Q138-V252 PolarHBondContact NE2-O 2.67Å; P139-V252 HydrophobicContact CB-CG2 3.72Å; P139-V252 HydrophobicContact CG-CG2 3.93Å; P139-V252 PolarHBondContact O-N 3.14Å; F141-V252 HydrophobicContact CB-CG1 3.64Å; V252-V256 HydrophobicContact CG2-CG1 4.05Å; V252-V270 VanDerWaalsContact C-CG2 3.48Å; V252-V270 WeakPolarHBondContact O-CG2 3.47Å |
| 253 | S | 97 | Very high | 97.7 | Very high | 29 Ų | 29 | 57.2 Ų | 57.2 | 20% | 0.203 | 31% | 0.305 | C | S | . | . | trans | -71.5 | 165.4 | 179.3 | 78.5 | 0 | 0 | 0 | 0 | 112.5 | P139 V255 E265 | P139-S253 WeakPolarHBondContact CG-O 3.45Å; S253-V255 PolarHBondContact O-N 3.26Å; S253-V255 VanDerWaalsContact OG-CB 3.26Å; S253-V255 WeakPolarHBondContact OG-CB 3.18Å; S253-V255 VanDerWaalsContact OG-CG2 3.24Å; S253-V255 WeakPolarHBondContact OG-CG2 3.41Å; S253-V255 PolarHBondContact OG-N 2.79Å; S253-E265 PolarHBondContact OG-O 3.46Å | ||
| 254 | S | 97.1 | Very high | 97.7 | Very high | 85 Ų | 85 | 58 Ų | 58 | 59% | 0.594 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -70.6 | -4.5 | 172.9 | 59.5 | 0 | 0 | 0 | 0 | 113.8 | V256 N257 | S254-V256 PolarHBondContact O-N 3.01Å; S254-N257 WeakPolarHBondContact O-CB 3.36Å; S254-N257 VanDerWaalsContact O-CG 3.28Å; S254-N257 PolarHBondContact O-N 2.85Å |
| 255 | V | 98.1 | Very high | 97.6 | Very high | 38 Ų | 38 | 62.8 Ų | 62.8 | 23% | 0.23 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -54.5 | -38.9 | 176.4 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | S253 N257 N261 E265 | S253-V255 PolarHBondContact O-N 3.26Å; S253-V255 VanDerWaalsContact OG-CB 3.26Å; S253-V255 WeakPolarHBondContact OG-CB 3.18Å; S253-V255 VanDerWaalsContact OG-CG2 3.24Å; S253-V255 WeakPolarHBondContact OG-CG2 3.41Å; S253-V255 PolarHBondContact OG-N 2.79Å; V255-N257 PolarHBondContact O-N 3.01Å; V255-N261 HydrophobicContact CG1-CB 3.93Å; V255-N261 PolarHBondContact O-ND2 3.12Å; V255-E265 HydrophobicContact CG1-CB 4.43Å |
| 256 | V | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -64.1 | -21.4 | 179.3 | 72.6 | 0 | 0 | 0 | 0 | 113.5 | R4 N43 Y126 W128 P139 V252 S254 N258 C266 | R4-V256 PolarHBondContact NH1-O 3.33Å; N43-V256 PolarHBondContact ND2-O 3.42Å; N43-V256 VanDerWaalsContact ND2-O 3.12Å; Y126-V256 HydrophobicContact CD1-CG2 3.79Å; Y126-V256 HydrophobicContact CD2-CG2 3.92Å; Y126-V256 HydrophobicContact CE1-CB 4.43Å; Y126-V256 HydrophobicContact CE1-CG2 3.71Å; Y126-V256 HydrophobicContact CE2-CG2 3.82Å; Y126-V256 HydrophobicContact CG-CG2 3.88Å; W128-V256 HydrophobicContact CZ2-CG1 4.05Å; P139-V256 HydrophobicContact CB-CG1 3.71Å; P139-V256 HydrophobicContact CG-CG1 4.05Å; V252-V256 HydrophobicContact CG2-CG1 4.05Å; S254-V256 PolarHBondContact O-N 3.01Å; V256-N258 VanDerWaalsContact C-N 3.27Å; V256-N258 PolarHBondContact O-N 2.98Å; V256-C266 HydrophobicContact CB-CB 4.21Å; V256-C266 HydrophobicContact CG2-CB 4.24Å |
| 257 | N | 97.9 | Very high | 97.6 | Very high | 74 Ų | 74 | 54.5 Ų | 54.5 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -57.9 | -41 | -175.3 | -68.1 | -12.2 | 0 | 0 | 0 | 112.1 | R4 W128 S254 V255 | R4-N257 PolarHBondContact NH2-O 3.11Å; W128-N257 PolarHBondContact NE1-OD1 2.79Å; S254-N257 WeakPolarHBondContact O-CB 3.36Å; S254-N257 VanDerWaalsContact O-CG 3.28Å; S254-N257 PolarHBondContact O-N 2.85Å; V255-N257 PolarHBondContact O-N 3.01Å |
| 258 | N | 98.1 | Very high | 97.6 | Very high | 81 Ų | 81 | 55.1 Ų | 55.1 | 43% | 0.433 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -84.6 | 114.1 | 174.9 | -175 | -8.4 | 0 | 0 | 0 | 109.9 | N43 V256 R260 N261 | N43-N258 PolarHBondContact ND2-O 3.47Å; N43-N258 VanDerWaalsContact ND2-O 3.13Å; V256-N258 VanDerWaalsContact C-N 3.27Å; V256-N258 PolarHBondContact O-N 2.98Å; N258-R260 PolarHBondContact O-N 2.89Å; N258-R260 VanDerWaalsContact O-N 3.09Å; N258-R260 WeakPolarHBondContact OD1-CB 3.42Å; N258-R260 PolarHBondContact OD1-N 2.87Å; N258-R260 VanDerWaalsContact OD1-N 3.12Å; N258-N261 WeakPolarHBondContact O-CB 3.22Å; N258-N261 PolarHBondContact O-N 3.21Å |
| 259 | S | 97 | Very high | 97.4 | Very high | 55 Ų | 55 | 56 Ų | 56 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -14.7 | -177.7 | 55.9 | 0 | 0 | 0 | 0 | 114.4 | N261 | S259-N261 VanDerWaalsContact C-N 3.28Š|
| 260 | R | 97.6 | Very high | 97.2 | Very high | 220 Ų | 220 | 55 Ų | 55 | 83% | 0.83 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -18.5 | 174.1 | -62.9 | -178.7 | -179.7 | 162.2 | 0.2 | 112.8 | N258 N262 | N258-R260 PolarHBondContact O-N 2.89Å; N258-R260 VanDerWaalsContact O-N 3.09Å; N258-R260 WeakPolarHBondContact OD1-CB 3.42Å; N258-R260 PolarHBondContact OD1-N 2.87Å; N258-R260 VanDerWaalsContact OD1-N 3.12Å; R260-N262 PolarHBondContact O-N 3.09Å |
| 261 | N | 98.4 | Very high | 96.9 | Very high | 55 Ų | 55 | 60.7 Ų | 60.7 | 29% | 0.294 | 34% | 0.336 | S | S | . | . | trans | -76.6 | 111.1 | 177.9 | -65.6 | -14 | 0 | 0 | 0 | 108.8 | N43 V255 N258 S259 C266 | N43-N261 WeakPolarHBondContact CB-O 3.28Å; N43-N261 PolarHBondContact ND2-O 3.1Å; V255-N261 HydrophobicContact CG1-CB 3.93Å; V255-N261 PolarHBondContact O-ND2 3.12Å; N258-N261 WeakPolarHBondContact O-CB 3.22Å; N258-N261 PolarHBondContact O-N 3.21Å; S259-N261 VanDerWaalsContact C-N 3.28Å; N261-C266 PolarHBondContact O-SG 2.99Å; N261-C266 VanDerWaalsContact O-SG 3.36Å | ||
| 262 | N | 98.3 | Very high | 96.3 | Very high | 79 Ų | 79 | 64.4 Ų | 64.4 | 42% | 0.422 | 35% | 0.354 | S | S | . | . | trans | -117.9 | 76.1 | 176.7 | -178.7 | 20.5 | 0 | 0 | 0 | 109.2 | S41 Y42 R260 | S41-N262 WeakPolarHBondContact CA-OD1 3.26Å; S41-N262 WeakPolarHBondContact CB-OD1 3.4Å; S41-N262 PolarHBondContact OG-OD1 3.39Å; Y42-N262 WeakPolarHBondContact CD2-OD1 3.44Å; Y42-N262 PolarHBondContact N-OD1 3.46Å; R260-N262 PolarHBondContact O-N 3.09Å | ||
| 263 | T | 97.8 | Very high | 94.9 | Very high | 49 Ų | 49 | 70.7 Ų | 70.7 | 30% | 0.301 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -136.9 | 156 | -176.4 | 64.1 | 0 | 0 | 0 | 0 | 110.8 | Y42 E265 C266 | Y42-T263 WeakPolarHBondContact CB-O 3.49Å; Y42-T263 VanDerWaalsContact CD2-C 3.49Å; T263-E265 PolarHBondContact O-N 2.91Å; T263-E265 VanDerWaalsContact O-N 3.15Å; T263-C266 WeakPolarHBondContact O-CB 3.19Å; T263-C266 PolarHBondContact O-N 3.03Å; T263-C266 PolarHBondContact O-SG 3.19Å |
| 264 | P | 96.8 | Very high | 93 | Very high | 67 Ų | 67 | 75.3 Ų | 75.3 | 44% | 0.435 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -56 | -28.9 | 174.7 | -24 | 32.6 | 0 | 0 | 0 | 113.6 | Y42 C266 L267 A268 | Y42-P264 HydrophobicContact CE1-CB 4.27Å; Y42-P264 HydrophobicContact CE1-CG 4.46Å; Y42-P264 HydrophobicContact CE2-CG 3.94Å; P264-C266 PolarHBondContact O-N 3.41Å; P264-C266 VanDerWaalsContact O-N 3.1Å; P264-L267 PolarHBondContact O-N 3.29Å; P264-L267 VanDerWaalsContact O-N 3.14Å; P264-A268 PolarHBondContact O-N 3.3Å |
| 265 | E | 96.3 | Very high | 90.7 | Very high | 118 Ų | 118 | 80.1 Ų | 80.1 | 55% | 0.551 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -59.8 | -19.1 | 176.9 | -62.4 | 178.3 | 177.7 | 0 | 0 | 114 | S253 V255 T263 L267 | S253-E265 PolarHBondContact OG-O 3.46Å; V255-E265 HydrophobicContact CG1-CB 4.43Å; T263-E265 PolarHBondContact O-N 2.91Å; T263-E265 VanDerWaalsContact O-N 3.15Å; E265-L267 PolarHBondContact O-N 2.88Å |
| 266 | C | 98.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -60.9 | -33.4 | 175.4 | -70.5 | 0 | 0 | 0 | 0 | 112.6 | Y126 V256 N261 T263 P264 | Y126-C266 WeakPolarHBondContact CE1-O 3.22Å; V256-C266 HydrophobicContact CB-CB 4.21Å; V256-C266 HydrophobicContact CG2-CB 4.24Å; N261-C266 PolarHBondContact O-SG 2.99Å; N261-C266 VanDerWaalsContact O-SG 3.36Å; T263-C266 WeakPolarHBondContact O-CB 3.19Å; T263-C266 PolarHBondContact O-N 3.03Å; T263-C266 PolarHBondContact O-SG 3.19Å; P264-C266 PolarHBondContact O-N 3.41Å; P264-C266 VanDerWaalsContact O-N 3.1Å |
| 267 | L | 96.9 | Very high | 85.1 | Confident | 1 Ų | 1 | 95.7 Ų | 95.7 | 1% | 0.005 | 50% | 0.497 | C | S | . | . | S | Bend | trans | -116.6 | 8.7 | -179 | 58.2 | 70.4 | 0 | 0 | 0 | 113.3 | Y42 Y126 F141 W164 W168 H250 P264 E265 | Y42-L267 HydrophobicContact CD1-CD2 3.62Å; Y42-L267 HydrophobicContact CD1-CG 3.93Å; Y42-L267 HydrophobicContact CE1-CD2 4.09Å; Y42-L267 HydrophobicContact CE1-CG 4.38Å; Y126-L267 HydrophobicContact CE1-CB 4.29Å; F141-L267 HydrophobicContact CD1-CB 4.08Å; F141-L267 HydrophobicContact CD2-CB 4.23Å; F141-L267 HydrophobicContact CE1-CB 4.3Å; F141-L267 HydrophobicContact CE1-CD2 4.38Å; F141-L267 HydrophobicContact CE2-CB 4.42Å; F141-L267 HydrophobicContact CE2-CD2 4.46Å; F141-L267 HydrophobicContact CG-CB 4.05Å; F141-L267 HydrophobicContact CZ-CB 4.45Å; F141-L267 HydrophobicContact CZ-CD2 4.11Å; W164-L267 HydrophobicContact CZ2-CD1 3.77Å; W168-L267 HydrophobicContact CH2-CD1 4.47Å; W168-L267 HydrophobicContact CH2-CD2 3.99Å; W168-L267 HydrophobicContact CZ2-CD1 4Å; W168-L267 HydrophobicContact CZ2-CD2 4.21Å; H250-L267 PolarHBondContact NE2-O 2.72Å; P264-L267 PolarHBondContact O-N 3.29Å; P264-L267 VanDerWaalsContact O-N 3.14Å; E265-L267 PolarHBondContact O-N 2.88Å |
| 268 | A | 95.4 | Very high | 82.4 | Confident | 33 Ų | 33 | 100.3 Ų | 100.3 | 27% | 0.273 | 52% | 0.52 | S | S | . | . | trans | -68.7 | 129.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | P264 | P264-A268 PolarHBondContact O-N 3.3Š| ||
| 269 | P | 95.4 | Very high | 79.7 | Confident | 71 Ų | 71 | 105.9 Ų | 105.9 | 46% | 0.461 | 54% | 0.54 | S | S | . | . | B | Isolated β-bridge | trans | -59 | 142.6 | 175.4 | -21.5 | 30.3 | 0 | 0 | 0 | 111.7 | W164 H250 A251 | W164-P269 HydrophobicContact CH2-CG 4.44Å; H250-P269 HydrophobicContact CB-CB 4.49Å; A251-P269 WeakPolarHBondContact O-CA 3.49Å |
| 270 | V | 93.4 | Very high | 76.9 | Confident | 55 Ų | 55 | 106.8 Ų | 106.8 | 33% | 0.333 | 55% | 0.552 | S | S | . | * | trans | -126.4 | 145.3 | 170.5 | -57.6 | 0 | 0 | 0 | 0 | 110.7 | A251 V252 | A251-V270 HydrophobicContact CB-CG2 4.11Å; A251-V270 PolarHBondContact O-N 3.29Å; V252-V270 VanDerWaalsContact C-CG2 3.48Å; V252-V270 WeakPolarHBondContact O-CG2 3.47Å | ||
| 271 | D | 90.7 | Very high | 74.6 | Confident | 156 Ų | 156 | 100.1 Ų | 100.1 | 83% | 0.834 | 54% | 0.538 | S | S | * | . | trans | -74.5 | 127.3 | 168.9 | -71.4 | -35.2 | 0 | 0 | 0 | 109.9 | V273 | D271-V273 PolarHBondContact O-N 2.81Š| ||
| 272 | L | 84.5 | Confident | 72.2 | Confident | 86 Ų | 86 | 99.8 Ų | 99.8 | 45% | 0.45 | 55% | 0.548 | S | S | . | . | trans | -70.8 | 102.1 | 171.6 | -64.9 | 179.3 | 0 | 0 | 0 | 108.2 | Q138 A251 V274 | Q138-L272 VanDerWaalsContact CD-CD2 3.46Å; Q138-L272 HydrophobicContact CG-CD2 3.88Å; A251-L272 HydrophobicContact CB-CD1 4.24Å; A251-L272 HydrophobicContact CB-CD2 3.59Å; A251-L272 HydrophobicContact CB-CG 3.83Å; L272-V274 VanDerWaalsContact C-N 3.31Å; L272-V274 PolarHBondContact O-N 3.1Å | ||
| 273 | V | 69.5 | Low | 70.1 | Confident | 132 Ų | 132 | 99.9 Ų | 99.9 | 80% | 0.8 | 56% | 0.555 | S | S | * | * | trans | -63.8 | 99 | 169.5 | -176.3 | 0 | 0 | 0 | 0 | 107.2 | D271 K275 | D271-V273 PolarHBondContact O-N 2.81Å; V273-K275 PolarHBondContact O-N 2.85Å | ||
| 274 | V | 56.9 | Low | 67.9 | Low | 126 Ų | 126 | 100 Ų | 100 | 76% | 0.764 | 56% | 0.558 | S | S | * | * | trans | -58.6 | 106.6 | 167.9 | -179 | 0 | 0 | 0 | 0 | 105.4 | L272 K276 | L272-V274 VanDerWaalsContact C-N 3.31Å; L272-V274 PolarHBondContact O-N 3.1Å; V274-K276 PolarHBondContact O-N 3.33Å | ||
| 275 | K | 50 | Low | 65.8 | Low | 186 Ų | 186 | 103.2 Ų | 103.2 | 81% | 0.809 | 57% | 0.567 | S | S | * | * | trans | -62.2 | 91.2 | 165.4 | -80.3 | -175.2 | 178.8 | 177.3 | 0 | 106.1 | V273 E277 | V273-K275 PolarHBondContact O-N 2.85Å; K275-E277 PolarHBondContact O-N 3.44Å | ||
| 276 | K | 37.5 | Very low | 63.7 | Low | 183 Ų | 183 | 107.2 Ų | 107.2 | 80% | 0.796 | 58% | 0.577 | S | S | * | * | trans | -51.2 | 117.9 | 162 | -141.5 | 175.2 | -170.9 | 175 | 0 | 104.1 | V274 L278 | V274-K276 PolarHBondContact O-N 3.33Å; K276-L278 PolarHBondContact O-N 3.1Å | ||
| 277 | E | 39.5 | Very low | 61.5 | Low | 183 Ų | 183 | 113.4 Ų | 113.4 | 86% | 0.855 | 61% | 0.608 | S | S | * | * | trans | -49.6 | 111 | 172.4 | -74.6 | -176.5 | 159.6 | 0 | 0 | 106.7 | K275 K279 | K275-E277 PolarHBondContact O-N 3.44Å; E277-K279 PolarHBondContact O-N 3.37Å | ||
| 278 | L | 42.6 | Very low | 59.4 | Low | 170 Ų | 170 | 119.2 Ų | 119.2 | 89% | 0.89 | 64% | 0.638 | S | S | * | * | trans | -64.4 | 97.8 | 169 | -75.1 | 166.4 | 0 | 0 | 0 | 104.2 | K276 A280 | K276-L278 PolarHBondContact O-N 3.1Å; L278-A280 PolarHBondContact O-N 2.79Å | ||
| 279 | K | 40.3 | Very low | 57.2 | Low | 198 Ų | 198 | 124.5 Ų | 124.5 | 86% | 0.861 | 66% | 0.657 | S | S | * | * | trans | -48 | 115.2 | 163.6 | -77 | -174.1 | 176.6 | -178 | 0 | 105.3 | E277 S281 | E277-K279 PolarHBondContact O-N 3.37Å; K279-S281 PolarHBondContact O-N 3.23Å | ||
| 280 | A | 38.6 | Very low | 55 | Low | 75 Ų | 75 | 130.1 Ų | 130.1 | 62% | 0.62 | 67% | 0.669 | S | S | * | * | trans | -47.9 | 112.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | L278 | L278-A280 PolarHBondContact O-N 2.79Š| ||
| 281 | S | 50.3 | Low | 53.1 | Low | 79 Ų | 79 | 133 Ų | 133 | 55% | 0.552 | 68% | 0.682 | S | S | * | * | trans | -66.6 | 140.2 | 171.7 | 105.5 | 0 | 0 | 0 | 0 | 107.2 | K279 S283 S284 | K279-S281 PolarHBondContact O-N 3.23Å; S281-S283 PolarHBondContact O-N 2.88Å; S281-S283 PolarHBondContact OG-OG 3.14Å; S281-S284 PolarHBondContact O-N 3.13Å; S281-S284 PolarHBondContact O-OG 2.96Å | ||
| 282 | G | 47 | Very low | 51.2 | Low | 49 Ų | 49 | 129.6 Ų | 129.6 | 51% | 0.505 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.5 | -4.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 283 | S | 53.6 | Low | 49.5 | Very low | 81 Ų | 81 | 129.9 Ų | 129.9 | 57% | 0.566 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -71.8 | -30.3 | 171.4 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | S281 R286 | S281-S283 PolarHBondContact O-N 2.88Å; S281-S283 PolarHBondContact OG-OG 3.14Å; S283-R286 PolarHBondContact O-N 3.4Å |
| 284 | S | 52.4 | Low | 48 | Very low | 52 Ų | 52 | 133 Ų | 133 | 36% | 0.364 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -76.7 | -23.8 | -178.2 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | S281 L288 | S281-S284 PolarHBondContact O-N 3.13Å; S281-S284 PolarHBondContact O-OG 2.96Å; S284-L288 PolarHBondContact O-N 3.31Å |
| 285 | Q | 53.2 | Low | 46.9 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 63% | 0.626 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -71.5 | -35.6 | 172.3 | -81.8 | 173.5 | -33.1 | 0 | 0 | 112.6 | L288 Q289 | Q285-L288 PolarHBondContact O-N 3.1Å; Q285-Q289 PolarHBondContact O-N 2.99Å; Q285-Q289 VanDerWaalsContact O-N 3.11Å |
| 286 | R | 51.5 | Low | 46.3 | Very low | 201 Ų | 201 | 129.8 Ų | 129.8 | 76% | 0.758 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -68.6 | -34.4 | 178.8 | -68.1 | -174.1 | 179.2 | 177 | 0.1 | 112.6 | S283 Q289 W290 | S283-R286 PolarHBondContact O-N 3.4Å; R286-Q289 PolarHBondContact O-N 3.02Å; R286-W290 PolarHBondContact O-N 2.97Å; R286-W290 VanDerWaalsContact O-N 3.11Å |
| 287 | M | 51.3 | Low | 46.1 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 65% | 0.645 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -68.1 | -39.5 | 176.5 | -170.9 | -176.9 | -72.9 | 0 | 0 | 112 | W290 L291 | M287-W290 PolarHBondContact O-N 2.81Å; M287-L291 PolarHBondContact O-N 3.22Å |
| 288 | L | 54.9 | Low | 45.7 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 64% | 0.639 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -68 | -34.7 | 175.4 | -74.4 | 165 | 0 | 0 | 0 | 112.4 | S284 Q285 A292 | S284-L288 PolarHBondContact O-N 3.31Å; Q285-L288 PolarHBondContact O-N 3.1Å; L288-A292 PolarHBondContact O-N 3.47Å |
| 289 | Q | 48.8 | Very low | 45.2 | Very low | 144 Ų | 144 | 133.7 Ų | 133.7 | 67% | 0.673 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -73 | -29.4 | 177.6 | -158.3 | 162.8 | 11.1 | 0 | 0 | 112.8 | Q285 R286 T293 | Q285-Q289 PolarHBondContact O-N 2.99Å; Q285-Q289 VanDerWaalsContact O-N 3.11Å; R286-Q289 PolarHBondContact O-N 3.02Å; Q289-T293 PolarHBondContact O-OG1 3.39Å |
| 290 | W | 49.5 | Very low | 44.8 | Very low | 189 Ų | 189 | 131.9 Ų | 131.9 | 72% | 0.716 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -71.4 | -40 | 173.6 | -178 | 77.6 | 0 | 0 | 0 | 112.8 | R286 M287 A292 T293 | R286-W290 PolarHBondContact O-N 2.97Å; R286-W290 VanDerWaalsContact O-N 3.11Å; M287-W290 PolarHBondContact O-N 2.81Å; W290-A292 VanDerWaalsContact C-N 3.29Å; W290-A292 PolarHBondContact O-N 3.1Å; W290-T293 PolarHBondContact O-N 3.35Å; W290-T293 PolarHBondContact O-OG1 3.21Å |
| 291 | L | 52.4 | Low | 44.3 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 61% | 0.607 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -69.2 | -24.7 | 178.1 | -72.2 | 168.7 | 0 | 0 | 0 | 113.3 | M287 T293 | M287-L291 PolarHBondContact O-N 3.22Å; L291-T293 VanDerWaalsContact C-N 3.28Å; L291-T293 PolarHBondContact O-N 2.75Å |
| 292 | A | 51.2 | Low | 43.2 | Very low | 84 Ų | 84 | 139.7 Ų | 139.7 | 69% | 0.694 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -15.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L288 W290 | L288-A292 PolarHBondContact O-N 3.47Å; W290-A292 VanDerWaalsContact C-N 3.29Å; W290-A292 PolarHBondContact O-N 3.1Å |
| 293 | T | 49.4 | Very low | 42.2 | Very low | 93 Ų | 93 | 143.6 Ų | 143.6 | 57% | 0.571 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -116.1 | 79.1 | -178.3 | 52.6 | 0 | 0 | 0 | 0 | 111.1 | Q289 W290 L291 | Q289-T293 PolarHBondContact O-OG1 3.39Å; W290-T293 PolarHBondContact O-N 3.35Å; W290-T293 PolarHBondContact O-OG1 3.21Å; L291-T293 VanDerWaalsContact C-N 3.28Å; L291-T293 PolarHBondContact O-N 2.75Å |
| 294 | K | 36 | Very low | 41.3 | Very low | 196 Ų | 196 | 145.3 Ų | 145.3 | 85% | 0.852 | 75% | 0.745 | S | S | * | * | trans | 174.4 | 116.2 | 140.4 | -97.9 | 166.9 | -172.2 | -171.3 | 0 | 111.5 | ||||
| 295 | S | 34.7 | Very low | 40.1 | Very low | 120 Ų | 120 | 151.4 Ų | 151.4 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | -151.3 | 112.3 | 145.3 | -78.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 296 | P | 36.6 | Very low | 38.8 | Very low | 125 Ų | 125 | 153.6 Ų | 153.6 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -81.7 | 135.5 | 170.2 | 15.7 | -2 | 0 | 0 | 0 | 110.2 | ||||
| 297 | K | 35 | Very low | 37.7 | Very low | 211 Ų | 211 | 151.7 Ų | 151.7 | 92% | 0.917 | 78% | 0.775 | S | S | * | * | trans | -61.4 | 142.2 | 164.6 | -78.3 | 176.2 | 170.7 | 179.4 | 0 | 110.1 | ||||
| 298 | K | 31.3 | Very low | 36.4 | Very low | 212 Ų | 212 | 154.3 Ų | 154.3 | 92% | 0.922 | 79% | 0.786 | S | S | * | * | trans | -140.6 | 135.6 | 157.4 | -131.4 | -177.9 | -177.4 | -175.3 | 0 | 110.8 | ||||
| 299 | E | 30.6 | Very low | 35.1 | Very low | 195 Ų | 195 | 154.4 Ų | 154.4 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | trans | -70 | 166.4 | -171.9 | -70.7 | 166.4 | 135.6 | 0 | 0 | 115.4 | ||||
| 300 | D | 32 | Very low | 34.1 | Very low | 160 Ų | 160 | 155.1 Ų | 155.1 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | -56.8 | 151.8 | -178.6 | -69.5 | -51 | 0 | 0 | 0 | 117.2 | ||||
| 301 | S | 27.8 | Very low | 33.3 | Very low | 112 Ų | 112 | 152.8 Ų | 152.8 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | -171.2 | 129.8 | 126 | 41.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 302 | K | 28.4 | Very low | 32.3 | Very low | 206 Ų | 206 | 153 Ų | 153 | 90% | 0.896 | 82% | 0.82 | S | S | * | * | trans | 67.3 | 121.8 | 147.7 | -64.8 | -176.3 | 178.4 | -178.9 | 0 | 122.4 | ||||
| 303 | T | 25.9 | Very low | 31 | Very low | 131 Ų | 131 | 158.6 Ų | 158.6 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -64.1 | 165.3 | 165 | -1.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 304 | P | 34.7 | Very low | 29.9 | Very low | 117 Ų | 117 | 165.8 Ų | 165.8 | 76% | 0.76 | 85% | 0.848 | S | S | * | * | -146.3 | 150.1 | 62.4 | 34.5 | -12.1 | 0 | 0 | 0 | 120.2 | |||||
| 305 | Q | 27 | Very low | 29.6 | Very low | 180 Ų | 180 | 160.9 Ų | 160.9 | 84% | 0.841 | 84% | 0.838 | S | S | * | * | trans | 46.3 | 122.3 | 142.2 | -65.1 | -175.8 | -36.9 | 0 | 0 | 123 | ||||
| 306 | K | 26.5 | Very low | 29.3 | Very low | 181 Ų | 181 | 161.1 Ų | 161.1 | 79% | 0.787 | 84% | 0.84 | S | S | * | * | -168.5 | 127 | 115.2 | -117.8 | -178 | 173.6 | -172.8 | 0 | 114.7 | |||||
| 307 | E | 27 | Very low | 28.9 | Very low | 161 Ų | 161 | 162.9 Ų | 162.9 | 75% | 0.752 | 84% | 0.838 | S | S | * | * | trans | 46 | 116.1 | 142.5 | -70.9 | 165.7 | 174.5 | 0 | 0 | 123.6 | ||||
| 308 | E | 25.2 | Very low | 28.5 | Very low | 185 Ų | 185 | 161.5 Ų | 161.5 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | trans | 28.8 | 130.1 | 136.1 | -72.5 | -179.4 | 166.4 | 0 | 0 | 122.5 | ||||
| 309 | S | 26.3 | Very low | 28.4 | Very low | 124 Ų | 124 | 159.9 Ų | 159.9 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | -176.3 | 137 | 108.5 | 40.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 310 | D | 29.3 | Very low | 28.3 | Very low | 159 Ų | 159 | 159 Ų | 159 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -64.9 | 135.8 | -179.8 | -69.6 | -55.2 | 0 | 0 | 0 | 114.7 | ||||
| 311 | V | 32.2 | Very low | 28.1 | Very low | 141 Ų | 141 | 161.5 Ų | 161.5 | 86% | 0.855 | 83% | 0.832 | S | S | * | * | trans | -150.3 | 132.4 | 142 | -169.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 312 | P | 30.5 | Very low | 28 | Very low | 121 Ų | 121 | 161.7 Ų | 161.7 | 79% | 0.786 | 83% | 0.833 | S | S | * | * | trans | -87.1 | 153.1 | -166.6 | 31.6 | -31.2 | 0 | 0 | 0 | 115.7 | ||||
| 313 | Q | 23.9 | Very low | 28 | Very low | 200 Ų | 200 | 157.5 Ų | 157.5 | 94% | 0.935 | 83% | 0.83 | S | S | * | * | trans | -77.3 | 124.2 | 177.4 | -145.8 | 176.5 | 4.1 | 0 | 0 | 110.3 | ||||
| 314 | W | 26.6 | Very low | 28.1 | Very low | 245 Ų | 245 | 159.4 Ų | 159.4 | 93% | 0.928 | 83% | 0.834 | S | S | * | * | trans | -105.5 | 122.1 | 165.9 | -150.7 | -52.7 | 0 | 0 | 0 | 110.5 | ||||
| 315 | S | 29.5 | Very low | 27.9 | Very low | 92 Ų | 92 | 159.6 Ų | 159.6 | 64% | 0.643 | 84% | 0.835 | S | S | * | * | trans | -68.5 | 130.3 | 178.5 | 44.1 | 0 | 0 | 0 | 0 | 112.8 | Q317 | S315-Q317 PolarHBondContact O-N 2.57Š| ||
| 316 | S | 28.9 | Very low | 28.2 | Very low | 125 Ų | 125 | 157.9 Ų | 157.9 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | trans | -83.7 | 97.6 | 169.2 | -39.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 317 | Q | 28.1 | Very low | 28.6 | Very low | 162 Ų | 162 | 159.4 Ų | 159.4 | 76% | 0.757 | 84% | 0.844 | S | S | * | * | trans | -136.1 | 145.6 | 164.3 | -72.9 | -174 | -9.9 | 0 | 0 | 109.8 | S315 | S315-Q317 PolarHBondContact O-N 2.57Š| ||
| 318 | F | 27.7 | Very low | 29 | Very low | 182 Ų | 182 | 163.5 Ų | 163.5 | 80% | 0.798 | 85% | 0.852 | S | S | * | * | trans | 98.5 | 82.2 | 179.7 | -62.5 | -77.1 | 0 | 0 | 0 | 117.5 | ||||
| 319 | L | 28.7 | Very low | 29.6 | Very low | 179 Ų | 179 | 157.7 Ų | 157.7 | 94% | 0.937 | 84% | 0.842 | S | S | * | * | trans | -126.4 | 97.8 | 140.6 | -88.6 | 165.8 | 0 | 0 | 0 | 108 | ||||
| 320 | Q | 28.4 | Very low | 30.5 | Very low | 177 Ų | 177 | 154.5 Ų | 154.5 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | trans | -77 | 127.9 | 162.8 | -90.9 | 179.5 | -35.1 | 0 | 0 | 109 | ||||
| 321 | K | 28.4 | Very low | 31.6 | Very low | 212 Ų | 212 | 149.8 Ų | 149.8 | 92% | 0.922 | 80% | 0.801 | S | S | * | * | trans | -65.3 | 131.6 | 171.6 | -70.5 | 170.2 | 176.1 | 173.7 | 0 | 109.7 | ||||
| 322 | S | 25.9 | Very low | 32.6 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -119.2 | 141.8 | 156.6 | 60.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 323 | S | 27 | Very low | 34.1 | Very low | 118 Ų | 118 | 143 Ų | 143 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 137.3 | -172.9 | 35.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 324 | L | 29 | Very low | 36.1 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 90% | 0.895 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 136.4 | 173.6 | -75.4 | 155.7 | 0 | 0 | 0 | 110.9 | ||
| 325 | P | 30.8 | Very low | 38 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 158.7 | 163.4 | 16 | -1.5 | 0 | 0 | 0 | 112 | ||
| 326 | T | 31.7 | Very low | 39.8 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 88% | 0.877 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 141.9 | -166.6 | 0.4 | 0 | 0 | 0 | 0 | 114.9 | R328 | T326-R328 PolarHBondContact O-N 2.84Š|
| 327 | K | 36.5 | Very low | 41.9 | Very low | 213 Ų | 213 | 126.3 Ų | 126.3 | 93% | 0.926 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 121.1 | 179.2 | -69.7 | 176.4 | 174.9 | 177.2 | 0 | 112.4 | ||
| 328 | R | 34.8 | Very low | 44 | Very low | 247 Ų | 247 | 120.1 Ų | 120.1 | 93% | 0.932 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 136.7 | 154.1 | -77.5 | -178.2 | 179.8 | 176.2 | 0.6 | 108.7 | T326 | T326-R328 PolarHBondContact O-N 2.84Š|
| 329 | G | 37.3 | Very low | 45.8 | Very low | 64 Ų | 64 | 117.4 Ų | 117.4 | 66% | 0.66 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 147.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A331 G332 | G329-A331 PolarHBondContact O-N 2.67Å; G329-G332 PolarHBondContact O-N 3.36Å |
| 330 | T | 46.3 | Very low | 47.5 | Very low | 57 Ų | 57 | 116.8 Ų | 116.8 | 35% | 0.35 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68 | -23.8 | -174.8 | 38.1 | 0 | 0 | 0 | 0 | 114.8 | D201 | D201-T330 PolarHBondContact OD2-OG1 3.32Š|
| 331 | A | 51.3 | Low | 48.8 | Very low | 60 Ų | 60 | 112.8 Ų | 112.8 | 50% | 0.496 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.7 | -23.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G329 L333 E335 | G329-A331 PolarHBondContact O-N 2.67Å; A331-L333 PolarHBondContact O-N 2.73Å; A331-E335 WeakPolarHBondContact O-CG 3.43Å; A331-E335 PolarHBondContact O-N 2.96Å |
| 332 | G | 53.5 | Low | 49.9 | Very low | 36 Ų | 36 | 109.9 Ų | 109.9 | 37% | 0.371 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.8 | -32.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G329 Q336 | G329-G332 PolarHBondContact O-N 3.36Å; G332-Q336 WeakPolarHBondContact O-CB 3.43Å; G332-Q336 PolarHBondContact O-N 2.81Å |
| 333 | L | 61.5 | Low | 50.9 | Low | 82 Ų | 82 | 112.4 Ų | 112.4 | 43% | 0.429 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -74.8 | -44.4 | -173.1 | -72.3 | 169.5 | 0 | 0 | 0 | 112.8 | A331 Q336 W337 | A331-L333 PolarHBondContact O-N 2.73Å; L333-Q336 PolarHBondContact O-N 2.92Å; L333-W337 PolarHBondContact O-N 2.94Å |
| 334 | L | 66.8 | Low | 51.6 | Low | 27 Ų | 27 | 113.2 Ų | 113.2 | 14% | 0.141 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -65 | -43.7 | 175.8 | -178.6 | 61.8 | 0 | 0 | 0 | 110.6 | L238 Q336 W337 L338 | L238-L334 HydrophobicContact CD1-CD1 4.25Å; L334-Q336 VanDerWaalsContact C-N 3.35Å; L334-Q336 PolarHBondContact O-N 2.76Å; L334-W337 PolarHBondContact O-N 3.48Å; L334-L338 HydrophobicContact CG-CD1 4.16Å; L334-L338 VanDerWaalsContact O-CG 3.3Å; L334-L338 WeakPolarHBondContact O-CG 3.37Å; L334-L338 PolarHBondContact O-N 3.34Å |
| 335 | E | 66.6 | Low | 51.8 | Low | 98 Ų | 98 | 113 Ų | 113 | 46% | 0.458 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63 | -39.2 | 175 | -74.6 | -178.5 | -170 | 0 | 0 | 112.8 | A331 L338 K339 | A331-E335 WeakPolarHBondContact O-CG 3.43Å; A331-E335 PolarHBondContact O-N 2.96Å; E335-L338 PolarHBondContact O-N 2.83Å; E335-K339 WeakPolarHBondContact O-CB 3.35Å; E335-K339 VanDerWaalsContact O-CG 3.25Å; E335-K339 WeakPolarHBondContact O-CG 3.45Å; E335-K339 PolarHBondContact O-N 3.04Å |
| 336 | Q | 67.6 | Low | 52.3 | Low | 122 Ų | 122 | 113.2 Ų | 113.2 | 57% | 0.57 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.4 | -40.9 | 178.3 | -175.7 | 176.8 | 9.5 | 0 | 0 | 111.3 | G332 L333 L334 K339 R340 | G332-Q336 WeakPolarHBondContact O-CB 3.43Å; G332-Q336 PolarHBondContact O-N 2.81Å; L333-Q336 PolarHBondContact O-N 2.92Å; L334-Q336 VanDerWaalsContact C-N 3.35Å; L334-Q336 PolarHBondContact O-N 2.76Å; Q336-K339 PolarHBondContact O-N 3.27Å; Q336-R340 WeakPolarHBondContact O-CB 3.19Å; Q336-R340 PolarHBondContact O-N 2.92Å |
| 337 | W | 72.1 | Confident | 52.9 | Low | 65 Ų | 65 | 113 Ų | 113 | 25% | 0.246 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -64.4 | -46.4 | 173.8 | -178.2 | 81 | 0 | 0 | 0 | 111.6 | M103 Q235 L238 L333 L334 K339 R340 | M103-W337 HydrophobicContact CE-CH2 4.23Å; M103-W337 HydrophobicContact CE-CZ2 3.88Å; Q235-W337 HydrophobicContact CB-CH2 4.14Å; Q235-W337 HydrophobicContact CB-CZ3 4.22Å; Q235-W337 HydrophobicContact CG-CH2 4.15Å; Q235-W337 HydrophobicContact CG-CZ3 3.89Å; L238-W337 HydrophobicContact CD1-CZ3 4.21Å; L333-W337 PolarHBondContact O-N 2.94Å; L334-W337 PolarHBondContact O-N 3.48Å; W337-K339 PolarHBondContact O-N 3.41Å; W337-R340 PolarHBondContact O-N 3.45Å |
| 338 | L | 71.8 | Confident | 53 | Low | 32 Ų | 32 | 107.2 Ų | 107.2 | 17% | 0.168 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -59.6 | -30.8 | 176.9 | -72.3 | 168.9 | 0 | 0 | 0 | 112.9 | Q235 L334 E335 | Q235-L338 HydrophobicContact CG-CD2 3.53Å; Q235-L338 PolarHBondContact NE2-O 3.11Å; L334-L338 HydrophobicContact CG-CD1 4.16Å; L334-L338 VanDerWaalsContact O-CG 3.3Å; L334-L338 WeakPolarHBondContact O-CG 3.37Å; L334-L338 PolarHBondContact O-N 3.34Å; E335-L338 PolarHBondContact O-N 2.83Å |
| 339 | K | 66.8 | Low | 53.3 | Low | 126 Ų | 126 | 105.2 Ų | 105.2 | 55% | 0.548 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -78.3 | -39.6 | 176 | -74.6 | 170.6 | -176.8 | 171.2 | 0 | 112.8 | E335 Q336 W337 E341 K342 | E335-K339 WeakPolarHBondContact O-CB 3.35Å; E335-K339 VanDerWaalsContact O-CG 3.25Å; E335-K339 WeakPolarHBondContact O-CG 3.45Å; E335-K339 PolarHBondContact O-N 3.04Å; Q336-K339 PolarHBondContact O-N 3.27Å; W337-K339 PolarHBondContact O-N 3.41Å; K339-E341 VanDerWaalsContact C-N 3.32Å; K339-E341 PolarHBondContact O-N 3.22Å; K339-K342 WeakPolarHBondContact O-CB 3.38Å; K339-K342 PolarHBondContact O-N 3.26Å; K339-K342 VanDerWaalsContact O-N 3.09Å |
| 340 | R | 62.5 | Low | 53.4 | Low | 165 Ų | 165 | 113.1 Ų | 113.1 | 62% | 0.623 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.8 | -33.8 | -173.8 | -162.1 | 174 | -176.5 | 175.8 | 1 | 113.5 | Q336 W337 | Q336-R340 WeakPolarHBondContact O-CB 3.19Å; Q336-R340 PolarHBondContact O-N 2.92Å; W337-R340 PolarHBondContact O-N 3.45Å |
| 341 | E | 56.1 | Low | 53.2 | Low | 94 Ų | 94 | 116.4 Ų | 116.4 | 44% | 0.439 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.9 | -15.3 | 175.8 | -74.9 | -165.5 | 176.9 | 0 | 0 | 114.1 | K339 E343 E344 | K339-E341 VanDerWaalsContact C-N 3.32Å; K339-E341 PolarHBondContact O-N 3.22Å; E341-E343 PolarHBondContact O-N 2.89Å; E341-E344 PolarHBondContact O-N 3.35Å |
| 342 | K | 52.7 | Low | 52.6 | Low | 151 Ų | 151 | 124.9 Ų | 124.9 | 66% | 0.657 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -21.4 | 168.9 | -77.3 | -173.9 | 173.1 | -173.2 | 0 | 112.6 | K339 | K339-K342 WeakPolarHBondContact O-CB 3.38Å; K339-K342 PolarHBondContact O-N 3.26Å; K339-K342 VanDerWaalsContact O-N 3.09Å |
| 343 | E | 45.7 | Very low | 52.2 | Low | 169 Ų | 169 | 128.1 Ų | 128.1 | 79% | 0.79 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -91.5 | -11.1 | 177.5 | -67.3 | 175.8 | 175.8 | 0 | 0 | 112.3 | E341 | E341-E343 PolarHBondContact O-N 2.89Š|
| 344 | E | 42.2 | Very low | 51.2 | Low | 134 Ų | 134 | 137 Ų | 137 | 63% | 0.626 | 66% | 0.664 | S | S | * | * | trans | -114.6 | 36.7 | -178.6 | -68.4 | -175.7 | -179.7 | 0 | 0 | 112.4 | E341 P346 | E341-E344 PolarHBondContact O-N 3.35Å; E344-P346 WeakPolarHBondContact O-CD 3.08Å | ||
| 345 | E | 33.9 | Very low | 50.4 | Low | 168 Ų | 168 | 142.5 Ų | 142.5 | 79% | 0.785 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 123.6 | 164.9 | -84.2 | -165.4 | 168.6 | 0 | 0 | 109.9 | V347 | E345-V347 PolarHBondContact O-N 3.02Š|
| 346 | P | 39.9 | Very low | 49.6 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 81% | 0.805 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 123.3 | 177.4 | 28 | -30.5 | 0 | 0 | 0 | 110.2 | E344 A348 | E344-P346 WeakPolarHBondContact O-CD 3.08Å; P346-A348 PolarHBondContact O-N 2.6Å; P346-A348 VanDerWaalsContact O-N 3.11Å |
| 347 | V | 44.3 | Very low | 48.6 | Very low | 139 Ų | 139 | 146.1 Ų | 146.1 | 84% | 0.842 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 116.8 | 166.7 | 177.1 | 0 | 0 | 0 | 0 | 108.8 | E345 K349 | E345-V347 PolarHBondContact O-N 3.02Å; V347-K349 PolarHBondContact O-N 3.26Å; V347-K349 VanDerWaalsContact O-N 3.12Å |
| 348 | A | 38.5 | Very low | 47.2 | Very low | 91 Ų | 91 | 150.9 Ų | 150.9 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 116.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | P346 R350 | P346-A348 PolarHBondContact O-N 2.6Å; P346-A348 VanDerWaalsContact O-N 3.11Å; A348-R350 PolarHBondContact O-N 2.97Å |
| 349 | K | 41.3 | Very low | 45.7 | Very low | 205 Ų | 205 | 158.3 Ų | 158.3 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 118 | 170.6 | -73.6 | -177.1 | 178 | 178.5 | 0 | 108.4 | V347 | V347-K349 PolarHBondContact O-N 3.26Å; V347-K349 VanDerWaalsContact O-N 3.12Å |
| 350 | R | 39.9 | Very low | 44.3 | Very low | 230 Ų | 230 | 160.5 Ų | 160.5 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 142.8 | 169.6 | -71.2 | -179.7 | 178.1 | 179.1 | -1.2 | 109.9 | A348 Y352 | A348-R350 PolarHBondContact O-N 2.97Å; R350-Y352 PolarHBondContact O-N 3.19Å |
| 351 | P | 41.9 | Very low | 43 | Very low | 127 Ų | 127 | 160.1 Ų | 160.1 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 131.8 | 174.7 | 28.1 | -31.7 | 0 | 0 | 0 | 109.8 | S353 | P351-S353 PolarHBondContact O-N 3.22Š|
| 352 | Y | 39.2 | Very low | 42 | Very low | 237 Ų | 237 | 165.2 Ų | 165.2 | 93% | 0.929 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 119.6 | 171.2 | -113.8 | -92.8 | 0 | 0 | 0 | 108.7 | R350 | R350-Y352 PolarHBondContact O-N 3.19Š|
| 353 | S | 44.1 | Very low | 41.1 | Very low | 105 Ų | 105 | 166.4 Ų | 166.4 | 73% | 0.734 | 84% | 0.842 | S | S | * | * | trans | -86.5 | 114.1 | 162.6 | 54.4 | 0 | 0 | 0 | 0 | 109.1 | P351 | P351-S353 PolarHBondContact O-N 3.22Š| ||
| 354 | Q | 41.8 | Very low | 40.6 | Very low | 268 Ų | 268 | 166.2 Ų | 166.2 | 100% | 1.252 | 85% | 0.846 | S | S | * | * | -178.1 | 0 | 129.5 | -100 | -177.1 | 11.2 | 0 | 0 | 110.1 |
Retrieved 354 of 354 residues in 86.4 ms
(Link to these results)