| 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 | 71.9 | Confident | 91.6 | Very high | 123 Ų | 123 | 80.9 Ų | 80.9 | 61% | 0.606 | 42% | 0.417 | S | S | * | . | 0 | 144.8 | 0 | -56.6 | -165.2 | -35.8 | 0 | 0 | 108.5 | L358 V381 | M1-L358 HydrophobicContact CE-CD1 3.99Å; M1-L358 HydrophobicContact SD-CB 4.11Å; M1-L358 HydrophobicContact SD-CD1 3.58Å; M1-L358 VanDerWaalsContact SD-CD1 3.58Å; M1-L358 HydrophobicContact SD-CG 4.35Å; M1-V381 HydrophobicContact CE-CG2 3.25Å; M1-V381 HydrophobicContact SD-CG2 4.19Å | |||
| 2 | P | 82.6 | Confident | 91.8 | Very high | 53 Ų | 53 | 75.6 Ų | 75.6 | 34% | 0.344 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 162.8 | 171.4 | 30.2 | -35.9 | 0 | 0 | 0 | 111.1 | E18 D19 | P2-E18 HydrophobicContact CG-CB 3.92Å; P2-E18 HydrophobicContact CG-CG 4.23Å; P2-D19 VanDerWaalsContact CB-O 3.32Å; P2-D19 WeakPolarHBondContact CB-O 3.34Å; P2-D19 WeakPolarHBondContact CG-O 3.49Å |
| 3 | E | 88.9 | Confident | 92.1 | Very high | 148 Ų | 148 | 69.8 Ų | 69.8 | 69% | 0.692 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 138.4 | 171.3 | -175.5 | 176.8 | -178 | 0 | 0 | 109.9 | H5 | E3-H5 PolarHBondContact O-N 2.61Š|
| 4 | T | 94.4 | Very high | 92.5 | Very high | 28 Ų | 28 | 67.9 Ų | 67.9 | 17% | 0.172 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 116.6 | 173.3 | -37.8 | 0 | 0 | 0 | 0 | 109.6 | V6 E18 I368 R378 | T4-V6 HydrophobicContact CG2-CG2 4.39Å; T4-E18 HydrophobicContact CG2-CG 4.15Å; T4-E18 PolarHBondContact OG1-OE1 3.33Å; T4-I368 HydrophobicContact CG2-CD1 4.35Å; T4-I368 HydrophobicContact CG2-CG1 4.3Å; T4-I368 HydrophobicContact CG2-CG2 4.21Å; T4-R378 HydrophobicContact CG2-CB 3.93Å; T4-R378 HydrophobicContact CG2-CG 3.94Å; T4-R378 WeakPolarHBondContact OG1-CG 3.42Å |
| 5 | H | 96.5 | Very high | 92.9 | Very high | 88 Ų | 88 | 63.4 Ų | 63.4 | 41% | 0.407 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 138.6 | 173.1 | -63.4 | -72.1 | 0 | 0 | 0 | 110.3 | E3 A16 S17 H195 | E3-H5 PolarHBondContact O-N 2.61Å; H5-A16 VanDerWaalsContact O-CA 3.23Å; H5-A16 WeakPolarHBondContact O-CA 3.5Å; H5-S17 PolarHBondContact N-O 3.47Å; H5-S17 PolarHBondContact O-N 3.22Å; H5-H195 HydrophobicContact CB-CB 3.87Å; H5-H195 VanDerWaalsContact CB-CG 3.42Å; H5-H195 PolarHBondContact O-CE1 3.2Å |
| 6 | V | 97 | Very high | 93.2 | Very high | 63 Ų | 63 | 59.4 Ų | 59.4 | 38% | 0.382 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 129.1 | -180 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | T4 V15 A16 I372 | T4-V6 HydrophobicContact CG2-CG2 4.39Å; V6-V15 CarbonylContact C-O 3.58Å; V6-V15 WeakPolarHBondContact CA-O 3.47Å; V6-A16 HydrophobicContact CG2-CB 4.11Å; V6-I372 HydrophobicContact CG2-CD1 4Å |
| 7 | T | 97.4 | Very high | 93.4 | Very high | 56 Ų | 56 | 55.9 Ų | 55.9 | 34% | 0.344 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 134.6 | 174.1 | -64.9 | 0 | 0 | 0 | 0 | 109.9 | M9 V15 H195 | T7-M9 HydrophobicContact CG2-CE 3.5Å; T7-M9 VanDerWaalsContact CG2-CE 3.5Å; T7-V15 PolarHBondContact N-O 2.97Å; T7-V15 PolarHBondContact O-N 3.44Å; T7-H195 PolarHBondContact OG1-NE2 2.7Å |
| 8 | T | 96.6 | Very high | 93.5 | Very high | 94 Ų | 94 | 53.1 Ų | 53.1 | 58% | 0.577 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 121.2 | 171.5 | -56.3 | 0 | 0 | 0 | 0 | 109.8 | R14 | T8-R14 HydrophobicContact CG2-CG 4.48Å |
| 9 | M | 95.3 | Very high | 93.6 | Very high | 23 Ų | 23 | 53.5 Ų | 53.5 | 11% | 0.113 | 28% | 0.277 | C | S | . | . | trans | -72.4 | 165.4 | 178 | -60.2 | -60.4 | 135.6 | 0 | 0 | 111.6 | T7 N11 G12 L13 V15 C199 | T7-M9 HydrophobicContact CG2-CE 3.5Å; T7-M9 VanDerWaalsContact CG2-CE 3.5Å; M9-N11 WeakPolarHBondContact CB-OD1 3.39Å; M9-N11 PolarHBondContact O-N 2.84Å; M9-G12 WeakPolarHBondContact O-CA 3.43Å; M9-G12 PolarHBondContact O-N 3.44Å; M9-L13 HydrophobicContact CB-CB 4.18Å; M9-L13 WeakPolarHBondContact CB-O 3.36Å; M9-L13 HydrophobicContact CG-CB 4.3Å; M9-L13 WeakPolarHBondContact CG-O 3.23Å; M9-L13 PolarHBondContact N-O 3.29Å; M9-V15 HydrophobicContact CE-CB 3.82Å; M9-V15 HydrophobicContact CE-CG2 3.5Å; M9-V15 HydrophobicContact CG-CG2 3.83Å; M9-V15 HydrophobicContact SD-CG2 4.37Å; M9-C199 HydrophobicContact CE-CB 3.86Å; M9-C199 WeakPolarHBondContact CE-SG 3.27Å | ||
| 10 | K | 93.3 | Very high | 93.6 | Very high | 195 Ų | 195 | 54.7 Ų | 54.7 | 85% | 0.848 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -32.6 | -178.5 | -67.8 | 175.5 | -175.7 | 161.1 | 0 | 113.8 | G12 | K10-G12 VanDerWaalsContact C-N 3.26Š|
| 11 | N | 93.4 | Very high | 93.6 | Very high | 19 Ų | 19 | 55 Ų | 55 | 10% | 0.102 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -2.5 | 177.1 | 65 | -1.9 | 0 | 0 | 0 | 113.4 | M9 L13 A182 M206 S207 T211 | M9-N11 WeakPolarHBondContact CB-OD1 3.39Å; M9-N11 PolarHBondContact O-N 2.84Å; N11-L13 VanDerWaalsContact OD1-CB 3.32Å; N11-L13 WeakPolarHBondContact OD1-CB 3.48Å; N11-L13 PolarHBondContact OD1-N 3.4Å; N11-L13 VanDerWaalsContact OD1-N 3.1Å; N11-A182 HydrophobicContact CB-CB 4.09Å; N11-A182 WeakPolarHBondContact O-CB 3.3Å; N11-M206 PolarHBondContact ND2-O 3.31Å; N11-S207 PolarHBondContact ND2-O 3.34Å; N11-S207 VanDerWaalsContact ND2-O 3.14Å; N11-T211 WeakPolarHBondContact O-CB 3.29Å; N11-T211 PolarHBondContact O-OG1 3Å |
| 12 | G | 93.6 | Very high | 94.6 | Very high | 17 Ų | 17 | 51.5 Ų | 51.5 | 18% | 0.175 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 95.8 | -7.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | M9 K10 R14 P183 | M9-G12 WeakPolarHBondContact O-CA 3.43Å; M9-G12 PolarHBondContact O-N 3.44Å; K10-G12 VanDerWaalsContact C-N 3.26Å; G12-R14 PolarHBondContact O-N 2.77Å; G12-P183 WeakPolarHBondContact O-CA 3Å |
| 13 | L | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.315 | C | S | . | . | trans | -56.6 | 128.6 | 174 | 177.2 | 69.9 | 0 | 0 | 0 | 110 | M9 N11 V15 A182 M185 L187 A202 M206 L209 | M9-L13 HydrophobicContact CB-CB 4.18Å; M9-L13 WeakPolarHBondContact CB-O 3.36Å; M9-L13 HydrophobicContact CG-CB 4.3Å; M9-L13 WeakPolarHBondContact CG-O 3.23Å; M9-L13 PolarHBondContact N-O 3.29Å; N11-L13 VanDerWaalsContact OD1-CB 3.32Å; N11-L13 WeakPolarHBondContact OD1-CB 3.48Å; N11-L13 PolarHBondContact OD1-N 3.4Å; N11-L13 VanDerWaalsContact OD1-N 3.1Å; L13-V15 HydrophobicContact CD2-CG2 4.24Å; L13-V15 HydrophobicContact CG-CG2 4.33Å; L13-A182 VanDerWaalsContact CA-O 3.31Å; L13-A182 WeakPolarHBondContact CA-O 3.22Å; L13-A182 HydrophobicContact CB-CB 4.18Å; L13-M185 HydrophobicContact CD1-CB 3.55Å; L13-L187 HydrophobicContact CD2-CB 4.48Å; L13-A202 HydrophobicContact CD2-CB 4.28Å; L13-M206 HydrophobicContact CD2-CB 3.77Å; L13-M206 HydrophobicContact CD2-SD 4Å; L13-L209 HydrophobicContact CD1-CD1 4.24Å; L13-L209 HydrophobicContact CD2-CD1 4.22Å | ||
| 14 | R | 97.3 | Very high | 95.6 | Very high | 44 Ų | 44 | 51.3 Ų | 51.3 | 17% | 0.166 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 129.4 | 173.9 | -71.2 | 167 | -72.3 | 167.7 | -4.3 | 108.9 | T8 G12 P183 M185 V186 L187 I372 | T8-R14 HydrophobicContact CG2-CG 4.48Å; G12-R14 PolarHBondContact O-N 2.77Å; R14-P183 PolarHBondContact NH2-O 2.66Å; R14-M185 PolarHBondContact N-O 3.22Å; R14-V186 HydrophobicContact CB-CG2 4.13Å; R14-V186 CarbonylContact O-C 3.57Å; R14-V186 VanDerWaalsContact O-CA 3.27Å; R14-V186 WeakPolarHBondContact O-CA 3.2Å; R14-L187 PolarHBondContact O-N 2.96Å; R14-I372 HydrophobicContact CB-CG2 4.32Å; R14-I372 PolarHBondContact NH1-O 3.13Å |
| 15 | V | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 128.2 | 177.5 | 179.9 | 0 | 0 | 0 | 0 | 107.9 | V6 T7 M9 L13 L187 L198 A202 | V6-V15 CarbonylContact C-O 3.58Å; V6-V15 WeakPolarHBondContact CA-O 3.47Å; T7-V15 PolarHBondContact N-O 2.97Å; T7-V15 PolarHBondContact O-N 3.44Å; M9-V15 HydrophobicContact CE-CB 3.82Å; M9-V15 HydrophobicContact CE-CG2 3.5Å; M9-V15 HydrophobicContact CG-CG2 3.83Å; M9-V15 HydrophobicContact SD-CG2 4.37Å; L13-V15 HydrophobicContact CD2-CG2 4.24Å; L13-V15 HydrophobicContact CG-CG2 4.33Å; V15-L187 CarbonylContact C-O 3.46Å; V15-L187 WeakPolarHBondContact CA-O 3.48Å; V15-L187 HydrophobicContact CG1-CD2 4.45Å; V15-L187 HydrophobicContact CG2-CB 4.34Å; V15-L187 HydrophobicContact CG2-CD2 4.39Å; V15-L198 HydrophobicContact CG1-CB 4.21Å; V15-L198 HydrophobicContact CG1-CD2 3.46Å; V15-L198 VanDerWaalsContact CG1-CD2 3.46Å; V15-L198 HydrophobicContact CG1-CG 3.61Å; V15-A202 HydrophobicContact CG2-CB 3.61Å |
| 16 | A | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 142.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | H5 V6 V186 L187 A188 S189 L198 I368 I372 | H5-A16 VanDerWaalsContact O-CA 3.23Å; H5-A16 WeakPolarHBondContact O-CA 3.5Å; V6-A16 HydrophobicContact CG2-CB 4.11Å; A16-V186 HydrophobicContact CB-CG1 4.44Å; A16-L187 PolarHBondContact N-O 3.42Å; A16-A188 CarbonylContact O-C 3.56Å; A16-A188 VanDerWaalsContact O-CA 3.23Å; A16-A188 WeakPolarHBondContact O-CA 3.49Å; A16-S189 PolarHBondContact O-N 3.22Å; A16-L198 WeakPolarHBondContact O-CD2 3.45Å; A16-I368 HydrophobicContact CB-CG2 3.64Å; A16-I372 HydrophobicContact CB-CD1 3.05Å |
| 17 | S | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 145.4 | -176.6 | 60.6 | 0 | 0 | 0 | 0 | 113.5 | H5 S189 H195 | H5-S17 PolarHBondContact N-O 3.47Å; H5-S17 PolarHBondContact O-N 3.22Å; S17-S189 VanDerWaalsContact CA-O 3.27Å; S17-S189 WeakPolarHBondContact CA-O 3.48Å; S17-S189 WeakPolarHBondContact CB-OG 3.44Å; S17-H195 VanDerWaalsContact OG-CA 3.3Å; S17-H195 WeakPolarHBondContact OG-CA 3.41Å; S17-H195 VanDerWaalsContact OG-CB 3.23Å; S17-H195 WeakPolarHBondContact OG-CB 3.42Å; S17-H195 PolarHBondContact OG-ND1 3.04Å |
| 18 | E | 95.5 | Very high | 95.9 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 2% | 0.023 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 109.8 | 163 | -81.5 | -175.5 | -155.6 | 0 | 0 | 110.3 | P2 T4 S189 A190 G191 I364 I368 R378 | P2-E18 HydrophobicContact CG-CB 3.92Å; P2-E18 HydrophobicContact CG-CG 4.23Å; T4-E18 HydrophobicContact CG2-CG 4.15Å; T4-E18 PolarHBondContact OG1-OE1 3.33Å; E18-S189 PolarHBondContact N-O 3.18Å; E18-A190 WeakPolarHBondContact O-CA 3.47Å; E18-G191 PolarHBondContact O-N 3.24Å; E18-G191 VanDerWaalsContact O-N 3.1Å; E18-I364 HydrophobicContact CB-CG2 4.42Å; E18-I364 WeakPolarHBondContact OE2-CG2 3.33Å; E18-I368 HydrophobicContact CB-CD1 3.92Å; E18-I368 HydrophobicContact CG-CD1 3.71Å; E18-R378 IonicContact OE1-NE 3.56Å |
| 19 | D | 95.5 | Very high | 96 | Very high | 60 Ų | 60 | 35.6 Ų | 35.6 | 32% | 0.321 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 113.7 | 177.2 | -168.8 | -2.8 | 0 | 0 | 0 | 110.7 | P2 G21 G191 G192 S194 | P2-D19 VanDerWaalsContact CB-O 3.32Å; P2-D19 WeakPolarHBondContact CB-O 3.34Å; P2-D19 WeakPolarHBondContact CG-O 3.49Å; D19-G21 PolarHBondContact OD1-N 3.44Å; D19-G191 CarbonylContact C-O 3.51Å; D19-G191 WeakPolarHBondContact CA-O 3.29Å; D19-G191 VanDerWaalsContact OD1-O 3.14Å; D19-G192 WeakPolarHBondContact OD1-CA 3.38Å; D19-S194 WeakPolarHBondContact OD2-CA 3.42Å |
| 20 | S | 93.6 | Very high | 96.1 | Very high | 78 Ų | 78 | 34.5 Ų | 34.5 | 55% | 0.545 | 20% | 0.201 | S | C | . | . | trans | -104.1 | 0 | 175.8 | 53.1 | 0 | 0 | 0 | 0 | 113 | S22 G191 | S20-S22 PolarHBondContact O-N 3.26Å; S20-G191 PolarHBondContact N-O 3.09Å; S20-G191 WeakPolarHBondContact OG-CA 3.31Å; S20-G191 PolarHBondContact OG-O 3.15Å; S20-G191 VanDerWaalsContact OG-O 3.07Å | ||
| 21 | G | 92.8 | Very high | 96.3 | Very high | 62 Ų | 62 | 25.2 Ų | 25.2 | 64% | 0.639 | 16% | 0.161 | S | C | * | . | trans | 68.6 | 16.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D19 | D19-G21 PolarHBondContact OD1-N 3.44Š| ||
| 22 | S | 93.9 | Very high | 96.4 | Very high | 48 Ų | 48 | 25.1 Ų | 25.1 | 34% | 0.336 | 16% | 0.161 | S | C | . | . | trans | -66.6 | 156.2 | 179 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | S20 T24 T93 G192 | S20-S22 PolarHBondContact O-N 3.26Å; S22-T24 WeakPolarHBondContact CB-O 3.3Å; S22-T24 PolarHBondContact O-N 3Å; S22-T24 PolarHBondContact OG-N 3.32Å; S22-T24 PolarHBondContact OG-O 3.41Å; S22-T24 PolarHBondContact OG-OG1 3.25Å; S22-T93 PolarHBondContact O-OG1 3.47Å; S22-G192 VanDerWaalsContact O-CA 3.22Å; S22-G192 WeakPolarHBondContact O-CA 3.4Å | ||
| 23 | L | 95.2 | Very high | 96.4 | Very high | 148 Ų | 148 | 24.3 Ų | 24.3 | 78% | 0.775 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -77.5 | -11.8 | 173 | -63.9 | 176.1 | 0 | 0 | 0 | 113.1 | T93 | L23-T93 PolarHBondContact O-N 2.95Å; L23-T93 PolarHBondContact O-OG1 3.04Å |
| 24 | T | 96.5 | Very high | 96.4 | Very high | 49 Ų | 49 | 24.3 Ų | 24.3 | 30% | 0.301 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 150.4 | 177.2 | 60.1 | 0 | 0 | 0 | 0 | 110.3 | S22 C91 F92 T93 G191 | S22-T24 WeakPolarHBondContact CB-O 3.3Å; S22-T24 PolarHBondContact O-N 3Å; S22-T24 PolarHBondContact OG-N 3.32Å; S22-T24 PolarHBondContact OG-O 3.41Å; S22-T24 PolarHBondContact OG-OG1 3.25Å; T24-C91 CarbonylContact C-O 3.57Å; T24-C91 VanDerWaalsContact CA-O 3.31Å; T24-C91 WeakPolarHBondContact CA-O 3.5Å; T24-F92 HydrophobicContact CG2-CD1 4.3Å; T24-T93 PolarHBondContact N-OG1 3.33Å; T24-G191 WeakPolarHBondContact O-CA 3.33Å |
| 25 | S | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 145.9 | 178.7 | -52.5 | 0 | 0 | 0 | 0 | 110.7 | K90 C91 T93 A190 G192 V193 | S25-K90 WeakPolarHBondContact O-CA 3.46Å; S25-C91 PolarHBondContact N-O 3.49Å; S25-C91 PolarHBondContact O-N 2.91Å; S25-T93 PolarHBondContact OG-OG1 3.4Å; S25-A190 CarbonylContact C-O 3.58Å; S25-A190 WeakPolarHBondContact CA-O 3.49Å; S25-G192 PolarHBondContact OG-N 2.86Å; S25-V193 WeakPolarHBondContact OG-CG2 3.45Å |
| 26 | T | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 125.7 | 165.1 | -56.9 | 0 | 0 | 0 | 0 | 107.7 | Y88 A89 S189 A190 S361 T362 C365 | T26-Y88 HydrophobicContact CG2-CD2 3.97Å; T26-A89 WeakPolarHBondContact CA-O 3.32Å; T26-S189 CarbonylContact O-C 3.58Å; T26-S189 VanDerWaalsContact O-CA 3.27Å; T26-S189 WeakPolarHBondContact O-CA 3.39Å; T26-A190 PolarHBondContact N-O 3.25Å; T26-A190 PolarHBondContact O-N 2.99Å; T26-S361 WeakPolarHBondContact OG1-CB 2.95Å; T26-S361 PolarHBondContact OG1-OG 3.14Å; T26-T362 HydrophobicContact CG2-CG2 4.34Å; T26-T362 PolarHBondContact OG1-N 3.11Å; T26-T362 PolarHBondContact OG1-OG1 2.88Å; T26-C365 HydrophobicContact CG2-CB 3.96Å; T26-C365 PolarHBondContact O-SG 3.48Å; T26-C365 VanDerWaalsContact O-SG 3.38Å |
| 27 | I | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134 | 178.9 | -55.7 | 167.3 | 0 | 0 | 0 | 106.9 | Y88 A89 A96 A99 V100 L103 L187 A188 V193 L198 | I27-Y88 CarbonylContact O-C 3.6Å; I27-Y88 VanDerWaalsContact O-CA 3.32Å; I27-Y88 WeakPolarHBondContact O-CA 3.38Å; I27-A89 PolarHBondContact N-O 3.19Å; I27-A89 PolarHBondContact O-N 3.42Å; I27-A96 HydrophobicContact CD1-CB 3.53Å; I27-A99 HydrophobicContact CD1-CB 4.27Å; I27-V100 HydrophobicContact CD1-CG2 4.36Å; I27-V100 HydrophobicContact CG2-CG2 3.82Å; I27-L103 HydrophobicContact CG2-CD1 4.21Å; I27-L187 HydrophobicContact CG2-CD1 3.97Å; I27-A188 WeakPolarHBondContact CA-O 3.19Å; I27-V193 HydrophobicContact CD1-CG2 4.14Å; I27-L198 HydrophobicContact CG2-CD1 4.29Å |
| 28 | G | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 167 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | W30 Y87 L187 A188 | G28-W30 VanDerWaalsContact CA-CZ3 3.41Å; G28-W30 WeakPolarHBondContact O-CZ3 3.32Å; G28-Y87 CarbonylContact C-O 3.52Å; G28-Y87 WeakPolarHBondContact CA-O 3.4Å; G28-L187 CarbonylContact O-C 3.51Å; G28-L187 WeakPolarHBondContact O-CA 3.42Å; G28-A188 PolarHBondContact N-O 3.18Å; G28-A188 PolarHBondContact O-N 2.88Å |
| 29 | V | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 118 | 174.6 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | I31 V86 Y87 L107 M185 V186 L187 M206 | V29-I31 HydrophobicContact CG1-CG1 4.01Å; V29-V86 WeakPolarHBondContact O-CA 3.39Å; V29-Y87 PolarHBondContact N-O 2.83Å; V29-Y87 PolarHBondContact O-N 3.15Å; V29-Y87 VanDerWaalsContact O-N 3.1Å; V29-L107 HydrophobicContact CB-CD1 3.86Å; V29-L107 HydrophobicContact CG1-CD1 3.79Å; V29-L107 HydrophobicContact CG2-CD1 3.71Å; V29-M185 HydrophobicContact CG1-CB 4.1Å; V29-M185 HydrophobicContact CG1-CG 4.26Å; V29-M185 HydrophobicContact CG1-SD 4.26Å; V29-V186 CarbonylContact C-O 3.52Å; V29-V186 VanDerWaalsContact CA-O 3.32Å; V29-V186 WeakPolarHBondContact CA-O 3.48Å; V29-L187 HydrophobicContact CG2-CD1 3.91Å; V29-M206 HydrophobicContact CG2-CE 3.69Å; V29-M206 HydrophobicContact CG2-SD 4.42Å |
| 30 | W | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 123.4 | 170.8 | -76.9 | -106.2 | 0 | 0 | 0 | 108.3 | G28 Y79 V86 M185 V186 A188 C365 E366 L373 | G28-W30 VanDerWaalsContact CA-CZ3 3.41Å; G28-W30 WeakPolarHBondContact O-CZ3 3.32Å; W30-Y79 PolarHBondContact NE1-OH 3.07Å; W30-V86 HydrophobicContact CD2-CG1 3.78Å; W30-V86 HydrophobicContact CD2-CG2 4.47Å; W30-V86 HydrophobicContact CE3-CG1 4.43Å; W30-V86 HydrophobicContact CG-CG1 4.09Å; W30-V86 HydrophobicContact CG-CG2 3.92Å; W30-V86 HydrophobicContact CH2-CG1 4.25Å; W30-V86 HydrophobicContact CZ2-CG1 3.57Å; W30-M185 CarbonylContact O-C 3.58Å; W30-M185 WeakPolarHBondContact O-CA 3.46Å; W30-V186 HydrophobicContact CB-CB 4.45Å; W30-V186 PolarHBondContact N-O 3Å; W30-V186 PolarHBondContact O-N 3.31Å; W30-A188 HydrophobicContact CE3-CB 3.8Å; W30-A188 HydrophobicContact CZ3-CB 3.66Å; W30-C365 HydrophobicContact CH2-CB 4.16Å; W30-C365 WeakPolarHBondContact CH2-SG 3.4Å; W30-E366 VanDerWaalsContact CZ2-CA 3.41Å; W30-E366 HydrophobicContact CZ2-CB 4.14Å; W30-E366 HydrophobicContact CZ2-CG 3.7Å; W30-L373 HydrophobicContact CB-CD1 3.72Å; W30-L373 HydrophobicContact CB-CG 4.26Å |
| 31 | I | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 128.6 | -177.8 | -46.2 | 174.1 | 0 | 0 | 0 | 107.5 | V29 A33 Q84 T85 Y87 L107 Y180 M185 | V29-I31 HydrophobicContact CG1-CG1 4.01Å; I31-A33 HydrophobicContact CB-CB 4.46Å; I31-A33 HydrophobicContact CG2-CB 3.73Å; I31-A33 PolarHBondContact O-N 3.25Å; I31-Q84 VanDerWaalsContact O-CA 3.31Å; I31-Q84 WeakPolarHBondContact O-CA 3.28Å; I31-T85 WeakPolarHBondContact CB-O 3.23Å; I31-T85 WeakPolarHBondContact CG1-O 3.39Å; I31-T85 PolarHBondContact N-O 3.41Å; I31-T85 PolarHBondContact O-N 2.86Å; I31-Y87 HydrophobicContact CD1-CD2 3.99Å; I31-Y87 HydrophobicContact CD1-CE2 3.72Å; I31-L107 HydrophobicContact CD1-CD2 3.67Å; I31-Y180 HydrophobicContact CD1-CD1 3.75Å; I31-Y180 HydrophobicContact CD1-CE1 3.31Å; I31-Y180 HydrophobicContact CD1-CE2 4.16Å; I31-Y180 HydrophobicContact CD1-CG 4.34Å; I31-Y180 HydrophobicContact CG2-CD2 4.31Å; I31-Y180 HydrophobicContact CG2-CE2 4.36Å; I31-M185 HydrophobicContact CD1-CE 4.12Å; I31-M185 HydrophobicContact CG1-CE 4.29Å; I31-M185 HydrophobicContact CG1-CG 4.15Å; I31-M185 HydrophobicContact CG2-CE 4.21Å; I31-M185 HydrophobicContact CG2-CG 4.15Å |
| 32 | D | 95.2 | Very high | 96 | Very high | 17 Ų | 17 | 33.2 Ų | 33.2 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -72.5 | 67.8 | 169.3 | -176 | 37.2 | 0 | 0 | 0 | 110.3 | Y37 R184 K304 L373 | D32-Y37 PolarHBondContact OD1-OH 3.38Å; D32-Y37 PolarHBondContact OD2-OH 3.47Å; D32-R184 HydrophobicContact CB-CB 4.11Å; D32-R184 WeakPolarHBondContact CB-O 3.47Å; D32-R184 PolarHBondContact N-O 3.13Å; D32-R184 PolarHBondContact O-NE 3.48Å; D32-R184 PolarHBondContact O-NH2 3.26Å; D32-R184 IonicContact OD2-NH2 3.97Å; D32-K304 WeakPolarHBondContact OD1-CE 3.09Å; D32-K304 IonicContact OD1-NZ 3.2Å; D32-K304 PolarHBondContact OD1-NZ 3.03Å; D32-K304 IonicContact OD2-NZ 3.66Å; D32-K304 PolarHBondContact OD2-NZ 3.26Å; D32-L373 HydrophobicContact CB-CD1 4.37Å; D32-L373 HydrophobicContact CB-CD2 4.12Å |
| 33 | A | 94.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -153.7 | 146.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | I31 E83 Q84 T85 Y175 H179 Y180 | I31-A33 HydrophobicContact CB-CB 4.46Å; I31-A33 HydrophobicContact CG2-CB 3.73Å; I31-A33 PolarHBondContact O-N 3.25Å; A33-E83 PolarHBondContact N-O 2.99Å; A33-E83 CarbonylContact O-C 3.58Å; A33-Q84 CarbonylContact O-C 3.56Å; A33-Q84 WeakPolarHBondContact O-CA 3.45Å; A33-Q84 PolarHBondContact O-N 3.03Å; A33-T85 PolarHBondContact O-N 2.77Å; A33-T85 PolarHBondContact O-OG1 3.14Å; A33-Y175 HydrophobicContact CB-CE1 4.36Å; A33-H179 HydrophobicContact CB-CB 3.89Å; A33-Y180 HydrophobicContact CB-CE2 4.2Å | ||
| 34 | G | 95.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 174 | -171.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | R36 Y37 S81 R82 Y175 | G34-R36 PolarHBondContact O-N 2.86Å; G34-R36 VanDerWaalsContact O-N 3.12Å; G34-Y37 PolarHBondContact O-N 3.07Å; G34-S81 VanDerWaalsContact CA-O 3.27Å; G34-S81 WeakPolarHBondContact CA-O 3.37Å; G34-R82 CarbonylContact C-O 3.45Å; G34-Y175 PolarHBondContact N-OH 3.34Å; G34-Y175 PolarHBondContact O-OH 3.48Å |
| 35 | S | 96.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -62.6 | -24.3 | -174.5 | 70 | 0 | 0 | 0 | 0 | 114.3 | Y37 E38 S81 R82 T156 | S35-Y37 PolarHBondContact O-N 2.93Å; S35-E38 VanDerWaalsContact CA-CD 3.46Å; S35-E38 WeakPolarHBondContact CA-OE2 3.23Å; S35-E38 WeakPolarHBondContact O-CB 3.48Å; S35-E38 WeakPolarHBondContact O-CG 3.49Å; S35-E38 PolarHBondContact O-N 3.25Å; S35-E38 VanDerWaalsContact O-N 3.16Å; S35-S81 PolarHBondContact N-O 3.27Å; S35-R82 PolarHBondContact N-O 2.92Å; S35-R82 WeakPolarHBondContact OG-CA 3.26Å; S35-R82 WeakPolarHBondContact OG-CG 3.41Å; S35-T156 WeakPolarHBondContact CB-O 3.14Å |
| 36 | R | 95.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.015 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -64.3 | -22.5 | 175 | -164.9 | -172.8 | -179.5 | 164.2 | 2.6 | 113.1 | G34 R82 E83 S152 L153 L220 D305 | G34-R36 PolarHBondContact O-N 2.86Å; G34-R36 VanDerWaalsContact O-N 3.12Å; R36-R82 WeakPolarHBondContact CB-O 3.4Å; R36-R82 PolarHBondContact N-O 2.81Å; R36-E83 IonicContact CZ-OE1 3.93Å; R36-E83 IonicContact NE-OE1 3.55Å; R36-E83 IonicContact NH1-OE1 3.07Å; R36-E83 PolarHBondContact NH1-OE1 2.9Å; R36-S152 VanDerWaalsContact CG-OG 3.22Å; R36-S152 WeakPolarHBondContact CG-OG 3.49Å; R36-S152 WeakPolarHBondContact O-CB 3.45Å; R36-S152 PolarHBondContact O-OG 2.74Å; R36-L153 HydrophobicContact CB-CD2 4.39Å; R36-L153 HydrophobicContact CG-CD2 3.93Å; R36-L153 HydrophobicContact CG-CG 4.08Å; R36-L220 HydrophobicContact CG-CD2 3.83Å; R36-D305 IonicContact CZ-OD1 2.88Å; R36-D305 IonicContact CZ-OD2 3.47Å; R36-D305 IonicContact NH1-OD1 3.31Å; R36-D305 PolarHBondContact NH1-OD1 3.32Å; R36-D305 IonicContact NH1-OD2 2.72Å; R36-D305 IonicContact NH2-OD1 3.84Å; R36-D305 PolarHBondContact NH2-OD1 3.36Å; R36-D305 IonicContact NH2-OD2 3.32Å; R36-D305 PolarHBondContact NH2-OD2 2.98Å |
| 37 | Y | 94.6 | Very high | 96.3 | Very high | 24 Ų | 24 | 22.6 Ų | 22.6 | 9% | 0.094 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -93.2 | 1.4 | 179.5 | -62.7 | -80.7 | 0 | 0 | 0 | 113.3 | D32 G34 S35 H179 L220 K304 | D32-Y37 PolarHBondContact OD1-OH 3.38Å; D32-Y37 PolarHBondContact OD2-OH 3.47Å; G34-Y37 PolarHBondContact O-N 3.07Å; S35-Y37 PolarHBondContact O-N 2.93Å; Y37-H179 PolarHBondContact O-NE2 2.9Å; Y37-L220 HydrophobicContact CD1-CD2 3.62Å; Y37-L220 HydrophobicContact CD1-CG 4.33Å; Y37-L220 HydrophobicContact CE1-CD1 3.86Å; Y37-L220 HydrophobicContact CE1-CD2 3.44Å; Y37-L220 VanDerWaalsContact CE1-CD2 3.44Å; Y37-L220 HydrophobicContact CE1-CG 3.69Å; Y37-L220 HydrophobicContact CG-CD2 4.34Å; Y37-K304 PolarHBondContact OH-NZ 3.29Å |
| 38 | E | 95.2 | Very high | 96.3 | Very high | 8 Ų | 8 | 22.6 Ų | 22.6 | 4% | 0.037 | 11% | 0.11 | C | C | . | . | trans | -85.3 | 176.5 | -179.9 | -55.4 | 175.3 | 155.3 | 0 | 0 | 111.6 | S35 N43 G44 V45 A46 R155 Y175 | S35-E38 VanDerWaalsContact CA-CD 3.46Å; S35-E38 WeakPolarHBondContact CA-OE2 3.23Å; S35-E38 WeakPolarHBondContact O-CB 3.48Å; S35-E38 WeakPolarHBondContact O-CG 3.49Å; S35-E38 PolarHBondContact O-N 3.25Å; S35-E38 VanDerWaalsContact O-N 3.16Å; E38-N43 WeakPolarHBondContact OE2-CA 3.44Å; E38-N43 PolarHBondContact OE2-ND2 2.81Å; E38-G44 PolarHBondContact OE1-N 2.88Å; E38-G44 PolarHBondContact OE2-N 3.06Å; E38-V45 HydrophobicContact CG-CG1 3.83Å; E38-V45 PolarHBondContact OE1-N 3.36Å; E38-V45 VanDerWaalsContact OE1-N 3.07Å; E38-A46 WeakPolarHBondContact OE1-CB 3.43Å; E38-A46 PolarHBondContact OE1-N 3.48Å; E38-R155 PolarHBondContact O-NH1 3.05Å; E38-Y175 HydrophobicContact CG-CE2 3.79Å | ||
| 39 | T | 93.3 | Very high | 96.2 | Very high | 72 Ų | 72 | 22.7 Ų | 22.7 | 44% | 0.442 | 11% | 0.11 | S | C | . | . | trans | -112.3 | 167.1 | 169.3 | 71.4 | 0 | 0 | 0 | 0 | 109.6 | K41 T42 N43 | T39-K41 PolarHBondContact O-N 2.84Å; T39-K41 VanDerWaalsContact O-N 3.11Å; T39-K41 PolarHBondContact OG1-N 2.91Å; T39-T42 PolarHBondContact N-OG1 2.81Å; T39-T42 CarbonylContact O-C 3.59Å; T39-T42 PolarHBondContact O-N 3.44Å; T39-T42 PolarHBondContact OG1-N 3.24Å; T39-T42 PolarHBondContact OG1-OG1 3.25Å; T39-N43 PolarHBondContact O-N 3.34Å | ||
| 40 | E | 93.8 | Very high | 96.2 | Very high | 124 Ų | 124 | 23.8 Ų | 23.8 | 58% | 0.579 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -35 | 173.7 | -61 | -51.5 | 127.4 | 0 | 0 | 112.9 | R155 N163 | E40-R155 IonicContact OE1-CZ 2.93Å; E40-R155 IonicContact OE1-NE 2.82Å; E40-R155 PolarHBondContact OE1-NE 3.18Å; E40-R155 IonicContact OE1-NH2 2.68Å; E40-R155 PolarHBondContact OE1-NH2 3.46Å; E40-N163 PolarHBondContact O-ND2 3.43Å |
| 41 | K | 95.2 | Very high | 96 | Very high | 177 Ų | 177 | 25 Ų | 25 | 77% | 0.77 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -25.6 | -179.3 | -64.9 | -177.4 | 179.9 | 179.6 | 0 | 113.5 | T39 | T39-K41 PolarHBondContact O-N 2.84Å; T39-K41 VanDerWaalsContact O-N 3.11Å; T39-K41 PolarHBondContact OG1-N 2.91Å |
| 42 | T | 95.7 | Very high | 96 | Very high | 26 Ų | 26 | 25.1 Ų | 25.1 | 16% | 0.16 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 11.1 | -176.2 | 58.5 | 0 | 0 | 0 | 0 | 112 | T39 G44 V45 | T39-T42 PolarHBondContact N-OG1 2.81Å; T39-T42 CarbonylContact O-C 3.59Å; T39-T42 PolarHBondContact O-N 3.44Å; T39-T42 PolarHBondContact OG1-N 3.24Å; T39-T42 PolarHBondContact OG1-OG1 3.25Å; T42-G44 PolarHBondContact O-N 3.02Å; T42-V45 WeakPolarHBondContact O-CB 3.31Å; T42-V45 WeakPolarHBondContact O-CG1 3.46Å; T42-V45 PolarHBondContact O-N 2.79Å |
| 43 | N | 97.6 | Very high | 95.9 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 5% | 0.048 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 125.2 | -178.3 | 178.4 | -146.9 | 0 | 0 | 0 | 110.5 | E38 T39 T156 G159 P160 N163 | E38-N43 WeakPolarHBondContact OE2-CA 3.44Å; E38-N43 PolarHBondContact OE2-ND2 2.81Å; T39-N43 PolarHBondContact O-N 3.34Å; N43-T156 PolarHBondContact ND2-O 3.09Å; N43-T156 VanDerWaalsContact OD1-CG2 3.3Å; N43-T156 WeakPolarHBondContact OD1-CG2 3.47Å; N43-G159 WeakPolarHBondContact O-CA 3.23Å; N43-P160 VanDerWaalsContact OD1-CD 3.26Å; N43-P160 WeakPolarHBondContact OD1-CD 3.18Å; N43-N163 PolarHBondContact N-ND2 2.7Å; N43-N163 VanDerWaalsContact O-CB 3.22Å; N43-N163 WeakPolarHBondContact O-CB 3.32Å; N43-N163 PolarHBondContact O-ND2 3.45Å; N43-N163 VanDerWaalsContact O-ND2 3.15Å |
| 44 | G | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.6 | -6.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E38 T42 A46 H47 F48 L158 | E38-G44 PolarHBondContact OE1-N 2.88Å; E38-G44 PolarHBondContact OE2-N 3.06Å; T42-G44 PolarHBondContact O-N 3.02Å; G44-A46 PolarHBondContact O-N 2.95Å; G44-H47 PolarHBondContact O-N 2.79Å; G44-F48 VanDerWaalsContact O-CB 3.32Å; G44-F48 WeakPolarHBondContact O-CB 3.32Å; G44-F48 PolarHBondContact O-N 3.21Å; G44-L158 VanDerWaalsContact CA-O 3.27Å; G44-L158 WeakPolarHBondContact CA-O 3.44Å |
| 45 | V | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66 | -33.7 | -177.6 | 72.1 | 0 | 0 | 0 | 0 | 113 | E38 T42 L49 D171 L172 Y175 | E38-V45 HydrophobicContact CG-CG1 3.83Å; E38-V45 PolarHBondContact OE1-N 3.36Å; E38-V45 VanDerWaalsContact OE1-N 3.07Å; T42-V45 WeakPolarHBondContact O-CB 3.31Å; T42-V45 WeakPolarHBondContact O-CG1 3.46Å; T42-V45 PolarHBondContact O-N 2.79Å; V45-L49 WeakPolarHBondContact O-CB 3.4Å; V45-L49 PolarHBondContact O-N 2.9Å; V45-D171 HydrophobicContact CG2-CB 4.31Å; V45-L172 HydrophobicContact CG2-CD2 3.7Å; V45-L172 HydrophobicContact CG2-CG 4.41Å; V45-Y175 HydrophobicContact CG1-CD2 3.32Å; V45-Y175 HydrophobicContact CG1-CE2 3.79Å; V45-Y175 HydrophobicContact CG1-CG 3.74Å; V45-Y175 HydrophobicContact CG2-CG 4.45Å |
| 46 | A | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.7 | -45.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111 | E38 G44 L49 E50 T80 Y175 | E38-A46 WeakPolarHBondContact OE1-CB 3.43Å; E38-A46 PolarHBondContact OE1-N 3.48Å; G44-A46 PolarHBondContact O-N 2.95Å; A46-L49 WeakPolarHBondContact O-CB 3.33Å; A46-L49 PolarHBondContact O-N 3.37Å; A46-E50 PolarHBondContact O-N 3.2Å; A46-T80 HydrophobicContact CB-CG2 3.93Å; A46-Y175 HydrophobicContact CB-CE1 3.95Å; A46-Y175 HydrophobicContact CB-CE2 4.49Å |
| 47 | H | 97.7 | Very high | 95.4 | Very high | 11 Ų | 11 | 29.1 Ų | 29.1 | 5% | 0.051 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65 | -44.8 | 174.5 | -176.4 | -100.3 | 0 | 0 | 0 | 111.5 | G44 L49 E50 H51 E127 I157 | G44-H47 PolarHBondContact O-N 2.79Å; H47-L49 VanDerWaalsContact C-N 3.26Å; H47-L49 PolarHBondContact O-N 2.92Å; H47-E50 VanDerWaalsContact O-CB 3.31Å; H47-E50 WeakPolarHBondContact O-CB 3.27Å; H47-E50 PolarHBondContact O-N 3.28Å; H47-H51 AromaticContact CE1-CD2 3.74Å; H47-H51 AromaticContact CE1-NE2 3.21Å; H47-H51 PolarHBondContact CE1-NE2 2.89Å; H47-H51 AromaticContact ND1-NE2 3.99Å; H47-H51 AromaticContact NE2-NE2 3.58Å; H47-H51 PolarHBondContact O-CD2 2.9Å; H47-H51 PolarHBondContact O-N 2.73Å; H47-E127 IonicContact CE1-OE1 3.53Å; H47-E127 IonicContact CE1-OE2 3.87Å; H47-E127 PolarHBondContact CE1-OE2 3.05Å; H47-E127 IonicContact NE2-OE1 4Å; H47-E127 IonicContact NE2-OE2 3.22Å; H47-I157 HydrophobicContact CB-CG2 4.5Å; H47-I157 WeakPolarHBondContact CB-O 3.37Å |
| 48 | F | 97.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.1 | -41.3 | 174.9 | -151.5 | -56.2 | 0 | 0 | 0 | 111.1 | G44 E50 H51 M52 I117 E120 R121 I124 I164 I167 L172 | G44-F48 VanDerWaalsContact O-CB 3.32Å; G44-F48 WeakPolarHBondContact O-CB 3.32Å; G44-F48 PolarHBondContact O-N 3.21Å; F48-E50 VanDerWaalsContact C-N 3.34Å; F48-E50 PolarHBondContact O-N 2.79Å; F48-H51 PolarHBondContact O-N 3.16Å; F48-M52 HydrophobicContact CD1-CG 3.73Å; F48-M52 HydrophobicContact CD1-SD 4.42Å; F48-M52 HydrophobicContact CE1-CG 3.92Å; F48-M52 HydrophobicContact CE1-SD 4.01Å; F48-M52 VanDerWaalsContact O-CG 3.28Å; F48-M52 WeakPolarHBondContact O-CG 3.38Å; F48-M52 PolarHBondContact O-N 3.43Å; F48-I117 HydrophobicContact CE1-CG2 4.03Å; F48-I117 HydrophobicContact CZ-CG2 3.98Å; F48-E120 HydrophobicContact CE1-CB 4.36Å; F48-R121 HydrophobicContact CE2-CB 4.4Å; F48-R121 HydrophobicContact CZ-CB 4.13Å; F48-I124 HydrophobicContact CB-CD1 4.16Å; F48-I124 HydrophobicContact CD1-CD1 3.84Å; F48-I124 HydrophobicContact CD2-CD1 3.48Å; F48-I124 VanDerWaalsContact CD2-CD1 3.48Å; F48-I124 HydrophobicContact CE1-CD1 3.98Å; F48-I124 HydrophobicContact CE2-CD1 3.67Å; F48-I124 HydrophobicContact CG-CD1 3.56Å; F48-I124 HydrophobicContact CZ-CD1 3.9Å; F48-I164 HydrophobicContact CE2-CG2 4.47Å; F48-I167 HydrophobicContact CD2-CB 4.3Å; F48-I167 HydrophobicContact CD2-CD1 4.07Å; F48-I167 HydrophobicContact CD2-CG2 4.04Å; F48-I167 HydrophobicContact CE2-CG2 4.41Å; F48-I167 HydrophobicContact CG-CG2 4.22Å; F48-L172 HydrophobicContact CB-CD2 4.15Å; F48-L172 HydrophobicContact CD1-CD1 4.45Å; F48-L172 HydrophobicContact CD1-CD2 4.29Å; F48-L172 HydrophobicContact CG-CD2 4.47Å |
| 49 | L | 96.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.7 | -41.2 | 177.7 | 179.7 | 67.6 | 0 | 0 | 0 | 112.2 | V45 A46 H47 H51 M52 A53 Y112 L172 Y175 V176 Y180 | V45-L49 WeakPolarHBondContact O-CB 3.4Å; V45-L49 PolarHBondContact O-N 2.9Å; A46-L49 WeakPolarHBondContact O-CB 3.33Å; A46-L49 PolarHBondContact O-N 3.37Å; H47-L49 VanDerWaalsContact C-N 3.26Å; H47-L49 PolarHBondContact O-N 2.92Å; L49-H51 VanDerWaalsContact C-N 3.34Å; L49-H51 PolarHBondContact O-N 3.32Å; L49-M52 CarbonylContact O-C 3.53Å; L49-M52 PolarHBondContact O-N 2.74Å; L49-M52 VanDerWaalsContact O-N 3.14Å; L49-A53 PolarHBondContact O-N 3.48Å; L49-Y112 HydrophobicContact CD1-CD1 4.21Å; L49-Y112 HydrophobicContact CD1-CE1 3.34Å; L49-Y112 WeakPolarHBondContact CD1-OH 3.39Å; L49-L172 HydrophobicContact CB-CD2 4.03Å; L49-L172 HydrophobicContact CD1-CB 4.46Å; L49-L172 HydrophobicContact CD1-CD2 4.41Å; L49-Y175 HydrophobicContact CD2-CD1 3.87Å; L49-Y175 HydrophobicContact CD2-CE1 4.37Å; L49-V176 HydrophobicContact CD1-CG2 3.57Å; L49-V176 HydrophobicContact CD2-CG2 3.53Å; L49-V176 HydrophobicContact CG-CG2 4.21Å; L49-Y180 HydrophobicContact CD2-CD2 4.37Å; L49-Y180 HydrophobicContact CD2-CE1 4.09Å; L49-Y180 HydrophobicContact CD2-CE2 3.59Å; L49-Y180 VanDerWaalsContact CD2-CZ 3.42Å; L49-Y180 WeakPolarHBondContact CD2-OH 2.99Å |
| 50 | E | 96.6 | Very high | 95.1 | Very high | 24 Ų | 24 | 34.5 Ų | 34.5 | 11% | 0.112 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.2 | -48.7 | 174.3 | -176 | -167.2 | 143.8 | 0 | 0 | 111.7 | A46 H47 F48 M52 A53 A78 Y79 T80 Y87 | A46-E50 PolarHBondContact O-N 3.2Å; H47-E50 VanDerWaalsContact O-CB 3.31Å; H47-E50 WeakPolarHBondContact O-CB 3.27Å; H47-E50 PolarHBondContact O-N 3.28Å; F48-E50 VanDerWaalsContact C-N 3.34Å; F48-E50 PolarHBondContact O-N 2.79Å; E50-M52 VanDerWaalsContact C-N 3.28Å; E50-M52 PolarHBondContact O-N 3.26Å; E50-A53 WeakPolarHBondContact O-CB 3.28Å; E50-A53 PolarHBondContact O-N 2.84Å; E50-A78 HydrophobicContact CG-CB 3.61Å; E50-Y79 WeakPolarHBondContact OE1-CA 3.35Å; E50-Y79 WeakPolarHBondContact OE2-CA 3.26Å; E50-T80 WeakPolarHBondContact OE2-CA 3.41Å; E50-T80 WeakPolarHBondContact OE2-CB 3.27Å; E50-T80 PolarHBondContact OE2-N 3.42Å; E50-T80 PolarHBondContact OE2-OG1 3.46Å; E50-Y87 HydrophobicContact CG-CE1 4.31Å |
| 51 | H | 95.6 | Very high | 95.1 | Very high | 25 Ų | 25 | 31.2 Ų | 31.2 | 12% | 0.116 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.3 | -42.4 | 176.3 | -79.1 | -119.3 | 0 | 0 | 0 | 111.9 | H47 F48 L49 A53 F54 K55 E120 I124 E127 | H47-H51 AromaticContact CE1-CD2 3.74Å; H47-H51 AromaticContact CE1-NE2 3.21Å; H47-H51 PolarHBondContact CE1-NE2 2.89Å; H47-H51 AromaticContact ND1-NE2 3.99Å; H47-H51 AromaticContact NE2-NE2 3.58Å; H47-H51 PolarHBondContact O-CD2 2.9Å; H47-H51 PolarHBondContact O-N 2.73Å; F48-H51 PolarHBondContact O-N 3.16Å; L49-H51 VanDerWaalsContact C-N 3.34Å; L49-H51 PolarHBondContact O-N 3.32Å; H51-A53 PolarHBondContact O-N 2.85Å; H51-F54 PolarHBondContact O-N 3Å; H51-K55 WeakPolarHBondContact O-CE 3.44Å; H51-K55 WeakPolarHBondContact O-CG 3.48Å; H51-E120 HydrophobicContact CB-CG 3.62Å; H51-E120 IonicContact CE1-OE1 3.82Å; H51-E120 IonicContact CG-OE1 3.36Å; H51-E120 IonicContact ND1-OE1 2.78Å; H51-E120 PolarHBondContact ND1-OE1 3.26Å; H51-I124 HydrophobicContact CB-CD1 4.36Å; H51-E127 IonicContact CE1-OE2 2.91Å; H51-E127 PolarHBondContact CE1-OE2 3.34Å; H51-E127 IonicContact NE2-OE2 2.78Å; H51-E127 PolarHBondContact NE2-OE2 3.32Å |
| 52 | M | 95.9 | Very high | 95 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.4 | -23.7 | -177.9 | -69 | -57.9 | -52.4 | 0 | 0 | 113.2 | F48 L49 E50 F54 K55 Y112 E116 I117 E120 L172 | F48-M52 HydrophobicContact CD1-CG 3.73Å; F48-M52 HydrophobicContact CD1-SD 4.42Å; F48-M52 HydrophobicContact CE1-CG 3.92Å; F48-M52 HydrophobicContact CE1-SD 4.01Å; F48-M52 VanDerWaalsContact O-CG 3.28Å; F48-M52 WeakPolarHBondContact O-CG 3.38Å; F48-M52 PolarHBondContact O-N 3.43Å; L49-M52 CarbonylContact O-C 3.53Å; L49-M52 PolarHBondContact O-N 2.74Å; L49-M52 VanDerWaalsContact O-N 3.14Å; E50-M52 VanDerWaalsContact C-N 3.28Å; E50-M52 PolarHBondContact O-N 3.26Å; M52-F54 PolarHBondContact O-N 2.8Å; M52-F54 VanDerWaalsContact O-N 3.14Å; M52-K55 HydrophobicContact CE-CB 4.11Å; M52-K55 HydrophobicContact CE-CG 4.2Å; M52-K55 PolarHBondContact O-N 2.86Å; M52-K55 HydrophobicContact SD-CG 4.13Å; M52-Y112 HydrophobicContact CB-CD1 3.91Å; M52-Y112 HydrophobicContact CB-CE1 4.24Å; M52-E116 HydrophobicContact CE-CB 3.76Å; M52-I117 HydrophobicContact CE-CG1 3.62Å; M52-I117 HydrophobicContact SD-CB 4.48Å; M52-I117 HydrophobicContact SD-CG1 3.88Å; M52-E120 HydrophobicContact SD-CB 3.96Å; M52-E120 HydrophobicContact SD-CG 4.28Å; M52-L172 HydrophobicContact CG-CD1 4.07Å |
| 53 | A | 92.9 | Very high | 95 | Very high | 2 Ų | 2 | 30 Ų | 30 | 2% | 0.017 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.5 | -29.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L49 E50 H51 Y87 I106 | L49-A53 PolarHBondContact O-N 3.48Å; E50-A53 WeakPolarHBondContact O-CB 3.28Å; E50-A53 PolarHBondContact O-N 2.84Å; H51-A53 PolarHBondContact O-N 2.85Å; A53-Y87 HydrophobicContact CB-CD1 4.25Å; A53-Y87 HydrophobicContact CB-CE1 3.41Å; A53-Y87 VanDerWaalsContact CB-CE1 3.41Å; A53-I106 HydrophobicContact CB-CG2 3.51Å; A53-I106 WeakPolarHBondContact O-CG2 3.32Å |
| 54 | F | 92.2 | Very high | 94.9 | Very high | 48 Ų | 48 | 34.8 Ų | 34.8 | 21% | 0.211 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 0.5 | -179.6 | -54.7 | -68.1 | 0 | 0 | 0 | 114.4 | H51 M52 G56 Q62 L65 L76 A78 Y87 I106 | H51-F54 PolarHBondContact O-N 3Å; M52-F54 PolarHBondContact O-N 2.8Å; M52-F54 VanDerWaalsContact O-N 3.14Å; F54-G56 VanDerWaalsContact C-N 3.28Å; F54-G56 PolarHBondContact O-N 3.1Å; F54-Q62 WeakPolarHBondContact O-CG 3.32Å; F54-L65 HydrophobicContact CD1-CD2 4.4Å; F54-L76 HydrophobicContact CD1-CD2 3.86Å; F54-L76 HydrophobicContact CD1-CG 4.47Å; F54-L76 HydrophobicContact CE1-CD1 4.44Å; F54-L76 HydrophobicContact CE1-CD2 3.54Å; F54-L76 HydrophobicContact CE1-CG 3.71Å; F54-A78 HydrophobicContact CE2-CB 3.78Å; F54-A78 HydrophobicContact CZ-CB 3.68Å; F54-Y87 HydrophobicContact CZ-CD1 4.13Å; F54-I106 HydrophobicContact CD1-CD1 4.09Å; F54-I106 HydrophobicContact CE1-CD1 4.07Å |
| 55 | K | 94.1 | Very high | 94.7 | Very high | 41 Ų | 41 | 35 Ų | 35 | 18% | 0.178 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -89.7 | 9.2 | -175.3 | -49.6 | -61 | 159.8 | 163.7 | 0 | 113.8 | H51 M52 E116 E120 | H51-K55 WeakPolarHBondContact O-CE 3.44Å; H51-K55 WeakPolarHBondContact O-CG 3.48Å; M52-K55 HydrophobicContact CE-CB 4.11Å; M52-K55 HydrophobicContact CE-CG 4.2Å; M52-K55 PolarHBondContact O-N 2.86Å; M52-K55 HydrophobicContact SD-CG 4.13Å; K55-E116 HydrophobicContact CB-CB 4.12Å; K55-E116 HydrophobicContact CB-CG 4.24Å; K55-E120 WeakPolarHBondContact CE-OE1 3.35Å; K55-E120 WeakPolarHBondContact CE-OE2 3.27Å; K55-E120 IonicContact NZ-OE1 4Å; K55-E120 PolarHBondContact NZ-OE1 3.23Å; K55-E120 IonicContact NZ-OE2 2.81Å; K55-E120 PolarHBondContact NZ-OE2 3.47Å |
| 56 | G | 91.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | 115 | 146.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F54 R60 T111 | F54-G56 VanDerWaalsContact C-N 3.28Å; F54-G56 PolarHBondContact O-N 3.1Å; G56-R60 CarbonylContact C-O 3.48Å; G56-R60 VanDerWaalsContact CA-O 3.26Å; G56-R60 WeakPolarHBondContact CA-O 3.36Å; G56-T111 PolarHBondContact O-N 3.38Å; G56-T111 PolarHBondContact O-OG1 2.94Å |
| 57 | T | 94.5 | Very high | 94.3 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -110.5 | 175.3 | 178 | 76 | 0 | 0 | 0 | 0 | 110.1 | R59 R60 D105 I106 N109 | T57-R59 PolarHBondContact O-N 3.31Å; T57-R59 PolarHBondContact OG1-N 2.91Å; T57-R59 VanDerWaalsContact OG1-N 3.12Å; T57-R60 PolarHBondContact N-O 2.87Å; T57-R60 VanDerWaalsContact O-O 3.13Å; T57-R60 PolarHBondContact OG1-N 2.98Å; T57-D105 WeakPolarHBondContact CB-OD2 3.48Å; T57-D105 HydrophobicContact CG2-CB 4.3Å; T57-D105 PolarHBondContact OG1-OD2 2.83Å; T57-I106 HydrophobicContact CG2-CG1 4.38Å; T57-N109 CarbonylContact C-O 3.44Å; T57-N109 WeakPolarHBondContact CA-O 3.23Å; T57-N109 WeakPolarHBondContact CB-O 3.11Å |
| 58 | G | 90.7 | Very high | 94.2 | Very high | 66 Ų | 66 | 44.8 Ų | 44.8 | 68% | 0.68 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -62.2 | -21.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N109 | G58-N109 PolarHBondContact N-O 2.72Š|
| 59 | R | 92.4 | Very high | 94.1 | Very high | 130 Ų | 130 | 45.5 Ų | 45.5 | 49% | 0.491 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -103.5 | -22 | -178.9 | -66.2 | -169.6 | -67.9 | 163.5 | -2.7 | 113.5 | T57 D101 D105 | T57-R59 PolarHBondContact O-N 3.31Å; T57-R59 PolarHBondContact OG1-N 2.91Å; T57-R59 VanDerWaalsContact OG1-N 3.12Å; R59-D101 IonicContact CZ-OD1 3.96Å; R59-D101 IonicContact NH1-OD1 3.82Å; R59-D101 PolarHBondContact NH1-OD1 3.49Å; R59-D101 IonicContact NH1-OD2 2.62Å; R59-D101 IonicContact NH2-OD1 3.55Å; R59-D101 PolarHBondContact NH2-OD1 2.89Å; R59-D105 IonicContact CZ-OD1 3.16Å; R59-D105 VanDerWaalsContact CZ-OD1 3.27Å; R59-D105 IonicContact NE-OD1 3.62Å; R59-D105 PolarHBondContact NE-OD1 3.3Å; R59-D105 IonicContact NE-OD2 2.74Å; R59-D105 VanDerWaalsContact NH2-CB 3.29Å; R59-D105 IonicContact NH2-OD1 3.63Å; R59-D105 PolarHBondContact NH2-OD1 2.88Å; R59-D105 IonicContact NH2-OD2 3.97Å |
| 60 | R | 93.6 | Very high | 93.9 | Very high | 20 Ų | 20 | 52.1 Ų | 52.1 | 8% | 0.075 | 27% | 0.268 | C | S | . | . | trans | -136.3 | 120.8 | -172.4 | -62.5 | 174.4 | 169.9 | 89.8 | -2.6 | 110 | G56 T57 L65 E68 D101 D105 | G56-R60 CarbonylContact C-O 3.48Å; G56-R60 VanDerWaalsContact CA-O 3.26Å; G56-R60 WeakPolarHBondContact CA-O 3.36Å; T57-R60 PolarHBondContact N-O 2.87Å; T57-R60 VanDerWaalsContact O-O 3.13Å; T57-R60 PolarHBondContact OG1-N 2.98Å; R60-L65 HydrophobicContact CB-CB 4.38Å; R60-E68 IonicContact CZ-OE1 3.61Å; R60-E68 IonicContact CZ-OE2 2.68Å; R60-E68 IonicContact NE-OE1 3.27Å; R60-E68 IonicContact NE-OE2 3.39Å; R60-E68 PolarHBondContact NE-OE2 3.33Å; R60-E68 IonicContact NH2-OE1 3.4Å; R60-E68 PolarHBondContact NH2-OE1 3.2Å; R60-E68 VanDerWaalsContact NH2-OE1 3.16Å; R60-E68 IonicContact NH2-OE2 3.45Å; R60-E68 PolarHBondContact NH2-OE2 3.3Å; R60-D101 IonicContact CZ-OD2 2.7Å; R60-D101 IonicContact NH1-OD1 2.73Å; R60-D101 IonicContact NH1-OD2 3.06Å; R60-D101 IonicContact NH2-OD2 2.7Å; R60-D101 PolarHBondContact NH2-OD2 2.86Å; R60-D105 IonicContact CZ-OD2 3.46Å; R60-D105 VanDerWaalsContact NH1-CG 3.3Å; R60-D105 IonicContact NH1-OD2 3.55Å; R60-D105 PolarHBondContact NH1-OD2 3.46Å | ||
| 61 | S | 94.4 | Very high | 93.9 | Very high | 55 Ų | 55 | 57.6 Ų | 57.6 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -63.7 | 162.4 | 162.4 | 63.8 | 0 | 0 | 0 | 0 | 110.7 | L63 E64 L65 | S61-L63 VanDerWaalsContact C-N 3.28Å; S61-L63 PolarHBondContact O-N 2.78Å; S61-E64 WeakPolarHBondContact CB-OE2 3.43Å; S61-E64 PolarHBondContact N-OE2 3.41Å; S61-E64 PolarHBondContact O-N 3Å; S61-E64 WeakPolarHBondContact OG-CB 3.27Å; S61-E64 WeakPolarHBondContact OG-CG 3.32Å; S61-E64 PolarHBondContact OG-N 2.89Å; S61-E64 PolarHBondContact OG-OE2 2.87Å; S61-L65 WeakPolarHBondContact O-CB 3.4Å; S61-L65 PolarHBondContact O-N 3.48Å |
| 62 | Q | 93.1 | Very high | 93.8 | Very high | 69 Ų | 69 | 57 Ų | 57 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -51.9 | -47.9 | 174.1 | 176.9 | 179 | -0.6 | 0 | 0 | 111.8 | F54 E64 L65 E66 | F54-Q62 WeakPolarHBondContact O-CG 3.32Å; Q62-E64 PolarHBondContact O-N 2.93Å; Q62-L65 WeakPolarHBondContact O-CB 3.37Å; Q62-L65 PolarHBondContact O-N 2.7Å; Q62-E66 VanDerWaalsContact CG-OE1 3.26Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.35Å; Q62-E66 PolarHBondContact NE2-OE1 3.44Å; Q62-E66 WeakPolarHBondContact O-CG 3.38Å; Q62-E66 PolarHBondContact O-N 2.87Å |
| 63 | L | 94.6 | Very high | 93.8 | Very high | 109 Ų | 109 | 59 Ų | 59 | 57% | 0.571 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.1 | -41.3 | -179.1 | 179.3 | 63.2 | 0 | 0 | 0 | 112.1 | S61 L65 E66 L67 | S61-L63 VanDerWaalsContact C-N 3.28Å; S61-L63 PolarHBondContact O-N 2.78Å; L63-L65 VanDerWaalsContact C-N 3.33Å; L63-E66 PolarHBondContact O-N 2.91Å; L63-L67 HydrophobicContact CD1-CD1 4.06Å; L63-L67 HydrophobicContact CD1-CG 4.17Å; L63-L67 HydrophobicContact CG-CD1 3.94Å; L63-L67 HydrophobicContact CG-CG 4.44Å; L63-L67 WeakPolarHBondContact O-CB 3.39Å; L63-L67 VanDerWaalsContact O-CG 3.24Å; L63-L67 WeakPolarHBondContact O-CG 3.35Å; L63-L67 PolarHBondContact O-N 3.15Å |
| 64 | E | 95.2 | Very high | 93.9 | Very high | 110 Ų | 110 | 59.4 Ų | 59.4 | 51% | 0.514 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 176.9 | -73.5 | 163.2 | 150.8 | 0 | 0 | 111.6 | S61 Q62 L67 E68 | S61-E64 WeakPolarHBondContact CB-OE2 3.43Å; S61-E64 PolarHBondContact N-OE2 3.41Å; S61-E64 PolarHBondContact O-N 3Å; S61-E64 WeakPolarHBondContact OG-CB 3.27Å; S61-E64 WeakPolarHBondContact OG-CG 3.32Å; S61-E64 PolarHBondContact OG-N 2.89Å; S61-E64 PolarHBondContact OG-OE2 2.87Å; Q62-E64 PolarHBondContact O-N 2.93Å; E64-L67 PolarHBondContact O-N 3.29Å; E64-E68 VanDerWaalsContact O-CB 3.26Å; E64-E68 WeakPolarHBondContact O-CB 3.37Å; E64-E68 PolarHBondContact O-N 3.14Å |
| 65 | L | 93.6 | Very high | 94 | Very high | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 176.6 | 179.9 | 66.5 | 0 | 0 | 0 | 111.4 | F54 R60 S61 Q62 L63 E68 V69 I102 I106 | F54-L65 HydrophobicContact CD1-CD2 4.4Å; R60-L65 HydrophobicContact CB-CB 4.38Å; S61-L65 WeakPolarHBondContact O-CB 3.4Å; S61-L65 PolarHBondContact O-N 3.48Å; Q62-L65 WeakPolarHBondContact O-CB 3.37Å; Q62-L65 PolarHBondContact O-N 2.7Å; L63-L65 VanDerWaalsContact C-N 3.33Å; L65-E68 PolarHBondContact O-N 2.91Å; L65-V69 WeakPolarHBondContact O-CG2 3.43Å; L65-V69 PolarHBondContact O-N 3.1Å; L65-V69 VanDerWaalsContact O-N 3.12Å; L65-I102 HydrophobicContact CD1-CG1 4.46Å; L65-I102 HydrophobicContact CD1-CG2 3.65Å; L65-I106 HydrophobicContact CD1-CD1 4.29Å; L65-I106 HydrophobicContact CD2-CD1 4.05Å; L65-I106 HydrophobicContact CD2-CG1 4.3Å |
| 66 | E | 93.6 | Very high | 94.1 | Very high | 87 Ų | 87 | 63.3 Ų | 63.3 | 41% | 0.407 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59 | -49.7 | 176.8 | -72.3 | 169.7 | -171.5 | 0 | 0 | 110.9 | Q62 L63 E68 V69 E70 | Q62-E66 VanDerWaalsContact CG-OE1 3.26Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.35Å; Q62-E66 PolarHBondContact NE2-OE1 3.44Å; Q62-E66 WeakPolarHBondContact O-CG 3.38Å; Q62-E66 PolarHBondContact O-N 2.87Å; L63-E66 PolarHBondContact O-N 2.91Å; E66-E68 PolarHBondContact O-N 2.87Å; E66-V69 PolarHBondContact O-N 2.8Å; E66-E70 WeakPolarHBondContact O-CG 3.31Å; E66-E70 PolarHBondContact O-N 2.86Å |
| 67 | L | 94.7 | Very high | 94.3 | Very high | 76 Ų | 76 | 67 Ų | 67 | 40% | 0.398 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 178.6 | -72.3 | 173.4 | 0 | 0 | 0 | 112.9 | L63 E64 N71 | L63-L67 HydrophobicContact CD1-CD1 4.06Å; L63-L67 HydrophobicContact CD1-CG 4.17Å; L63-L67 HydrophobicContact CG-CD1 3.94Å; L63-L67 HydrophobicContact CG-CG 4.44Å; L63-L67 WeakPolarHBondContact O-CB 3.39Å; L63-L67 VanDerWaalsContact O-CG 3.24Å; L63-L67 WeakPolarHBondContact O-CG 3.35Å; L63-L67 PolarHBondContact O-N 3.15Å; E64-L67 PolarHBondContact O-N 3.29Å; L67-N71 VanDerWaalsContact O-CB 3.23Å; L67-N71 WeakPolarHBondContact O-CB 3.41Å; L67-N71 PolarHBondContact O-N 2.83Å; L67-N71 PolarHBondContact O-ND2 3.01Å |
| 68 | E | 95 | Very high | 94.3 | Very high | 54 Ų | 54 | 66.9 Ų | 66.9 | 25% | 0.252 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 177.9 | -172.2 | 175.3 | 173.9 | 0 | 0 | 110.9 | R60 E64 L65 E66 M72 I102 | R60-E68 IonicContact CZ-OE1 3.61Å; R60-E68 IonicContact CZ-OE2 2.68Å; R60-E68 IonicContact NE-OE1 3.27Å; R60-E68 IonicContact NE-OE2 3.39Å; R60-E68 PolarHBondContact NE-OE2 3.33Å; R60-E68 IonicContact NH2-OE1 3.4Å; R60-E68 PolarHBondContact NH2-OE1 3.2Å; R60-E68 VanDerWaalsContact NH2-OE1 3.16Å; R60-E68 IonicContact NH2-OE2 3.45Å; R60-E68 PolarHBondContact NH2-OE2 3.3Å; E64-E68 VanDerWaalsContact O-CB 3.26Å; E64-E68 WeakPolarHBondContact O-CB 3.37Å; E64-E68 PolarHBondContact O-N 3.14Å; L65-E68 PolarHBondContact O-N 2.91Å; E66-E68 PolarHBondContact O-N 2.87Å; E68-M72 HydrophobicContact CG-SD 4.3Å; E68-M72 VanDerWaalsContact O-CG 3.32Å; E68-M72 WeakPolarHBondContact O-CG 3.24Å; E68-M72 PolarHBondContact O-N 2.72Å; E68-I102 HydrophobicContact CG-CD1 4.14Å |
| 69 | V | 95 | Very high | 94.6 | Very high | 17 Ų | 17 | 67.2 Ų | 67.2 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.3 | -46.1 | 177 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | L65 E66 M72 G73 A74 L76 I102 | L65-V69 WeakPolarHBondContact O-CG2 3.43Å; L65-V69 PolarHBondContact O-N 3.1Å; L65-V69 VanDerWaalsContact O-N 3.12Å; E66-V69 PolarHBondContact O-N 2.8Å; V69-M72 PolarHBondContact O-N 3.32Å; V69-G73 PolarHBondContact O-N 3.33Å; V69-A74 HydrophobicContact CG1-CB 4.18Å; V69-A74 VanDerWaalsContact CG1-O 3.3Å; V69-A74 WeakPolarHBondContact CG1-O 3.3Å; V69-A74 PolarHBondContact O-N 3.36Å; V69-L76 HydrophobicContact CG1-CB 3.86Å; V69-L76 HydrophobicContact CG2-CB 4.1Å; V69-L76 HydrophobicContact CG2-CD2 3.87Å; V69-I102 HydrophobicContact CG2-CD1 4.14Å |
| 70 | E | 93.9 | Very high | 94.8 | Very high | 139 Ų | 139 | 61.8 Ų | 61.8 | 65% | 0.65 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.1 | -44.5 | 178.3 | -74.7 | -176.3 | 171.6 | 0 | 0 | 112.6 | E66 M72 G73 | E66-E70 WeakPolarHBondContact O-CG 3.31Å; E66-E70 PolarHBondContact O-N 2.86Å; E70-M72 PolarHBondContact O-N 2.93Å; E70-G73 PolarHBondContact O-N 3.41Å |
| 71 | N | 95.4 | Very high | 95 | Very high | 139 Ų | 139 | 62.6 Ų | 62.6 | 74% | 0.743 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.2 | -26.4 | 179.6 | -77.5 | -47 | 0 | 0 | 0 | 112.9 | L67 G73 | L67-N71 VanDerWaalsContact O-CB 3.23Å; L67-N71 WeakPolarHBondContact O-CB 3.41Å; L67-N71 PolarHBondContact O-N 2.83Å; L67-N71 PolarHBondContact O-ND2 3.01Å; N71-G73 VanDerWaalsContact C-N 3.27Å |
| 72 | M | 94.8 | Very high | 95 | Very high | 13 Ų | 13 | 60.8 Ų | 60.8 | 6% | 0.064 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -13.4 | 172.2 | -73.2 | 170.5 | 36.2 | 0 | 0 | 112.9 | E68 V69 E70 A74 D95 R98 I102 | E68-M72 HydrophobicContact CG-SD 4.3Å; E68-M72 VanDerWaalsContact O-CG 3.32Å; E68-M72 WeakPolarHBondContact O-CG 3.24Å; E68-M72 PolarHBondContact O-N 2.72Å; V69-M72 PolarHBondContact O-N 3.32Å; E70-M72 PolarHBondContact O-N 2.93Å; M72-A74 HydrophobicContact CB-CB 4.03Å; M72-A74 HydrophobicContact CE-CB 4.05Å; M72-A74 PolarHBondContact O-N 2.97Å; M72-D95 HydrophobicContact CE-CB 3.88Å; M72-R98 HydrophobicContact CE-CB 3.86Å; M72-R98 HydrophobicContact SD-CB 3.63Å; M72-R98 HydrophobicContact SD-CG 4.33Å; M72-I102 HydrophobicContact CE-CD1 4.4Å; M72-I102 HydrophobicContact SD-CD1 4.19Å |
| 73 | G | 94.2 | Very high | 95.1 | Very high | 45 Ų | 45 | 57.9 Ų | 57.9 | 46% | 0.464 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 28.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V69 E70 N71 | V69-G73 PolarHBondContact O-N 3.33Å; E70-G73 PolarHBondContact O-N 3.41Å; N71-G73 VanDerWaalsContact C-N 3.27Å |
| 74 | A | 95.8 | Very high | 95.1 | Very high | 10 Ų | 10 | 53.5 Ų | 53.5 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | trans | -91.2 | 155.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V69 M72 K90 C91 | V69-A74 HydrophobicContact CG1-CB 4.18Å; V69-A74 VanDerWaalsContact CG1-O 3.3Å; V69-A74 WeakPolarHBondContact CG1-O 3.3Å; V69-A74 PolarHBondContact O-N 3.36Å; M72-A74 HydrophobicContact CB-CB 4.03Å; M72-A74 HydrophobicContact CE-CB 4.05Å; M72-A74 PolarHBondContact O-N 2.97Å; A74-K90 CarbonylContact C-O 3.6Å; A74-K90 VanDerWaalsContact CA-O 3.23Å; A74-K90 WeakPolarHBondContact CA-O 3.35Å; A74-K90 WeakPolarHBondContact CB-O 3.22Å; A74-C91 HydrophobicContact CB-CB 3.81Å | ||
| 75 | H | 94.8 | Very high | 95.3 | Very high | 132 Ų | 132 | 48.2 Ų | 48.2 | 61% | 0.611 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 114 | 169.2 | -59.3 | -73.7 | 0 | 0 | 0 | 108.3 | A89 K90 | H75-A89 CarbonylContact O-C 2.84Å; H75-A89 VanDerWaalsContact O-CA 3.26Å; H75-A89 WeakPolarHBondContact O-CA 3.27Å; H75-K90 HydrophobicContact CB-CB 4.37Å; H75-K90 PolarHBondContact N-O 2.86Å; H75-K90 PolarHBondContact O-N 2.83Å |
| 76 | L | 95.1 | Very high | 95.5 | Very high | 39 Ų | 39 | 48 Ų | 48 | 20% | 0.204 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 132.9 | 173.9 | -176.1 | 67 | 0 | 0 | 0 | 108.4 | F54 V69 A89 I102 L103 I106 | F54-L76 HydrophobicContact CD1-CD2 3.86Å; F54-L76 HydrophobicContact CD1-CG 4.47Å; F54-L76 HydrophobicContact CE1-CD1 4.44Å; F54-L76 HydrophobicContact CE1-CD2 3.54Å; F54-L76 HydrophobicContact CE1-CG 3.71Å; V69-L76 HydrophobicContact CG1-CB 3.86Å; V69-L76 HydrophobicContact CG2-CB 4.1Å; V69-L76 HydrophobicContact CG2-CD2 3.87Å; L76-A89 HydrophobicContact CD1-CB 3.97Å; L76-I102 HydrophobicContact CD2-CG2 4.12Å; L76-L103 HydrophobicContact CD1-CD2 4.01Å; L76-I106 HydrophobicContact CD2-CD1 4.03Å |
| 77 | N | 95.5 | Very high | 95.7 | Very high | 82 Ų | 82 | 44 Ų | 44 | 44% | 0.439 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 163.7 | 179.7 | -158.7 | 7.6 | 0 | 0 | 0 | 111 | Y88 | N77-Y88 HydrophobicContact CB-CE1 3.97Å; N77-Y88 HydrophobicContact CB-CE2 3.94Å; N77-Y88 PolarHBondContact N-O 2.96Å; N77-Y88 PolarHBondContact ND2-OH 3.5Å; N77-Y88 VanDerWaalsContact ND2-OH 3.12Å; N77-Y88 PolarHBondContact O-N 3.47Å |
| 78 | A | 96.2 | Very high | 95.8 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 166.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E50 F54 V86 Y87 | E50-A78 HydrophobicContact CG-CB 3.61Å; F54-A78 HydrophobicContact CE2-CB 3.78Å; F54-A78 HydrophobicContact CZ-CB 3.68Å; A78-V86 CarbonylContact C-O 3.4Å; A78-V86 WeakPolarHBondContact CA-O 3.48Å; A78-V86 WeakPolarHBondContact CB-O 3.23Å; A78-Y87 HydrophobicContact CB-CD1 3.58Å; A78-Y87 HydrophobicContact CB-CE1 3.92Å; A78-Y87 HydrophobicContact CB-CG 4.37Å |
| 79 | Y | 96.7 | Very high | 96 | Very high | 74 Ų | 74 | 39.4 Ų | 39.4 | 29% | 0.29 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 153.9 | 166.1 | 61.7 | -92.4 | 0 | 0 | 0 | 110.4 | W30 E50 T85 V86 Y88 | W30-Y79 PolarHBondContact NE1-OH 3.07Å; E50-Y79 WeakPolarHBondContact OE1-CA 3.35Å; E50-Y79 WeakPolarHBondContact OE2-CA 3.26Å; Y79-T85 WeakPolarHBondContact O-CA 3.32Å; Y79-V86 HydrophobicContact CD1-CB 4.04Å; Y79-V86 HydrophobicContact CD1-CG1 4.49Å; Y79-V86 HydrophobicContact CD2-CB 4.37Å; Y79-V86 HydrophobicContact CD2-CG2 4.28Å; Y79-V86 HydrophobicContact CE1-CB 3.63Å; Y79-V86 HydrophobicContact CE1-CG1 3.8Å; Y79-V86 HydrophobicContact CE1-CG2 4.02Å; Y79-V86 HydrophobicContact CE2-CB 3.99Å; Y79-V86 HydrophobicContact CE2-CG2 3.57Å; Y79-V86 HydrophobicContact CG-CB 4.39Å; Y79-V86 VanDerWaalsContact CZ-CG2 3.42Å; Y79-V86 PolarHBondContact N-O 2.82Å; Y79-V86 PolarHBondContact O-N 3.01Å; Y79-V86 WeakPolarHBondContact OH-CG2 3.39Å; Y79-Y88 HydrophobicContact CD1-CE1 4.05Å; Y79-Y88 HydrophobicContact CE1-CD1 4.4Å; Y79-Y88 HydrophobicContact CE1-CE1 4.01Å |
| 80 | T | 96.8 | Very high | 96.1 | Very high | 16 Ų | 16 | 42.8 Ų | 42.8 | 10% | 0.098 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 137.5 | 175.7 | -64.6 | 0 | 0 | 0 | 0 | 109.7 | A46 E50 Q84 T85 I157 | A46-T80 HydrophobicContact CB-CG2 3.93Å; E50-T80 WeakPolarHBondContact OE2-CA 3.41Å; E50-T80 WeakPolarHBondContact OE2-CB 3.27Å; E50-T80 PolarHBondContact OE2-N 3.42Å; E50-T80 PolarHBondContact OE2-OG1 3.46Å; T80-Q84 CarbonylContact C-O 3.56Å; T80-T85 PolarHBondContact OG1-OG1 3.42Å; T80-I157 HydrophobicContact CG2-CG2 4.16Å |
| 81 | S | 96 | Very high | 96.2 | Very high | 36 Ų | 36 | 36.4 Ų | 36.4 | 25% | 0.252 | 19% | 0.193 | S | C | . | . | trans | -125.6 | -174.9 | 174.9 | 69.2 | 0 | 0 | 0 | 0 | 109.7 | G34 S35 E83 Q84 | G34-S81 VanDerWaalsContact CA-O 3.27Å; G34-S81 WeakPolarHBondContact CA-O 3.37Å; S35-S81 PolarHBondContact N-O 3.27Å; S81-E83 VanDerWaalsContact C-N 3.3Å; S81-E83 PolarHBondContact O-N 3.44Å; S81-E83 PolarHBondContact OG-N 2.95Å; S81-Q84 PolarHBondContact N-O 3.12Å; S81-Q84 WeakPolarHBondContact OG-CA 3.44Å; S81-Q84 WeakPolarHBondContact OG-CB 3.44Å; S81-Q84 PolarHBondContact OG-N 2.81Å; S81-Q84 PolarHBondContact OG-O 2.75Å | ||
| 82 | R | 95.8 | Very high | 96.3 | Very high | 17 Ų | 17 | 34.2 Ų | 34.2 | 6% | 0.064 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -61.3 | -37.2 | 175.6 | -78 | 169.6 | 167.6 | 80.3 | 10.3 | 112.5 | G34 S35 R36 D141 H144 L153 R155 I157 Y303 | G34-R82 CarbonylContact C-O 3.45Å; S35-R82 PolarHBondContact N-O 2.92Å; S35-R82 WeakPolarHBondContact OG-CA 3.26Å; S35-R82 WeakPolarHBondContact OG-CG 3.41Å; R36-R82 WeakPolarHBondContact CB-O 3.4Å; R36-R82 PolarHBondContact N-O 2.81Å; R82-D141 IonicContact CZ-OD1 3.61Å; R82-D141 IonicContact NH2-OD1 3.91Å; R82-D141 PolarHBondContact NH2-OD1 3.25Å; R82-H144 VanDerWaalsContact CZ-CG 3.43Å; R82-H144 PolarHBondContact NE-CD2 2.61Å; R82-L153 HydrophobicContact CB-CD2 4.18Å; R82-L153 PolarHBondContact NE-O 2.97Å; R82-L153 VanDerWaalsContact NE-O 3.12Å; R82-R155 PolarHBondContact NE-O 3.12Å; R82-R155 PolarHBondContact NH2-O 2.94Å; R82-R155 VanDerWaalsContact NH2-O 3.11Å; R82-I157 HydrophobicContact CG-CD1 4.48Å; R82-I157 HydrophobicContact CG-CG1 4.15Å; R82-Y303 HydrophobicContact CB-CE1 4.04Å; R82-Y303 VanDerWaalsContact CD-OH 3.27Å; R82-Y303 WeakPolarHBondContact CD-OH 3.49Å |
| 83 | E | 94.5 | Very high | 96.4 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -115.8 | -11.8 | -175 | -62.1 | -164.5 | 126.4 | 0 | 0 | 114.7 | A33 R36 S81 Y303 K304 | A33-E83 PolarHBondContact N-O 2.99Å; A33-E83 CarbonylContact O-C 3.58Å; R36-E83 IonicContact CZ-OE1 3.93Å; R36-E83 IonicContact NE-OE1 3.55Å; R36-E83 IonicContact NH1-OE1 3.07Å; R36-E83 PolarHBondContact NH1-OE1 2.9Å; S81-E83 VanDerWaalsContact C-N 3.3Å; S81-E83 PolarHBondContact O-N 3.44Å; S81-E83 PolarHBondContact OG-N 2.95Å; E83-Y303 HydrophobicContact CG-CD1 3.87Å; E83-Y303 VanDerWaalsContact OE2-CA 3.29Å; E83-Y303 WeakPolarHBondContact OE2-CA 3.23Å; E83-Y303 WeakPolarHBondContact OE2-CB 3.3Å; E83-Y303 WeakPolarHBondContact OE2-CD1 3.2Å; E83-K304 PolarHBondContact OE1-N 3.29Å; E83-K304 PolarHBondContact OE2-N 2.75Å; E83-K304 VanDerWaalsContact OE2-N 3.12Å |
| 84 | Q | 95.6 | Very high | 96.5 | Very high | 17 Ų | 17 | 40.8 Ų | 40.8 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | trans | -139.8 | 138.6 | -171.6 | -59.3 | 179.6 | -9.6 | 0 | 0 | 112.8 | I31 A33 T80 S81 V86 L373 | I31-Q84 VanDerWaalsContact O-CA 3.31Å; I31-Q84 WeakPolarHBondContact O-CA 3.28Å; A33-Q84 CarbonylContact O-C 3.56Å; A33-Q84 WeakPolarHBondContact O-CA 3.45Å; A33-Q84 PolarHBondContact O-N 3.03Å; T80-Q84 CarbonylContact C-O 3.56Å; S81-Q84 PolarHBondContact N-O 3.12Å; S81-Q84 WeakPolarHBondContact OG-CA 3.44Å; S81-Q84 WeakPolarHBondContact OG-CB 3.44Å; S81-Q84 PolarHBondContact OG-N 2.81Å; S81-Q84 PolarHBondContact OG-O 2.75Å; Q84-V86 HydrophobicContact CB-CG2 4.4Å; Q84-L373 HydrophobicContact CG-CD1 4.1Å | ||
| 85 | T | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131.1 | 165.8 | -61.3 | 0 | 0 | 0 | 0 | 106.6 | I31 A33 Y79 T80 Y87 Y180 | I31-T85 WeakPolarHBondContact CB-O 3.23Å; I31-T85 WeakPolarHBondContact CG1-O 3.39Å; I31-T85 PolarHBondContact N-O 3.41Å; I31-T85 PolarHBondContact O-N 2.86Å; A33-T85 PolarHBondContact O-N 2.77Å; A33-T85 PolarHBondContact O-OG1 3.14Å; Y79-T85 WeakPolarHBondContact O-CA 3.32Å; T80-T85 PolarHBondContact OG1-OG1 3.42Å; T85-Y87 HydrophobicContact CG2-CD2 4.4Å; T85-Y87 HydrophobicContact CG2-CE2 3.57Å; T85-Y180 WeakPolarHBondContact CG2-OH 3.48Å |
| 86 | V | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.5 | -170.7 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | V29 W30 A78 Y79 Q84 Y88 | V29-V86 WeakPolarHBondContact O-CA 3.39Å; W30-V86 HydrophobicContact CD2-CG1 3.78Å; W30-V86 HydrophobicContact CD2-CG2 4.47Å; W30-V86 HydrophobicContact CE3-CG1 4.43Å; W30-V86 HydrophobicContact CG-CG1 4.09Å; W30-V86 HydrophobicContact CG-CG2 3.92Å; W30-V86 HydrophobicContact CH2-CG1 4.25Å; W30-V86 HydrophobicContact CZ2-CG1 3.57Å; A78-V86 CarbonylContact C-O 3.4Å; A78-V86 WeakPolarHBondContact CA-O 3.48Å; A78-V86 WeakPolarHBondContact CB-O 3.23Å; Y79-V86 HydrophobicContact CD1-CB 4.04Å; Y79-V86 HydrophobicContact CD1-CG1 4.49Å; Y79-V86 HydrophobicContact CD2-CB 4.37Å; Y79-V86 HydrophobicContact CD2-CG2 4.28Å; Y79-V86 HydrophobicContact CE1-CB 3.63Å; Y79-V86 HydrophobicContact CE1-CG1 3.8Å; Y79-V86 HydrophobicContact CE1-CG2 4.02Å; Y79-V86 HydrophobicContact CE2-CB 3.99Å; Y79-V86 HydrophobicContact CE2-CG2 3.57Å; Y79-V86 HydrophobicContact CG-CB 4.39Å; Y79-V86 VanDerWaalsContact CZ-CG2 3.42Å; Y79-V86 PolarHBondContact N-O 2.82Å; Y79-V86 PolarHBondContact O-N 3.01Å; Y79-V86 WeakPolarHBondContact OH-CG2 3.39Å; Q84-V86 HydrophobicContact CB-CG2 4.4Å; V86-Y88 HydrophobicContact CG1-CD1 4.04Å |
| 87 | Y | 98 | Very high | 96.8 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 124 | 171.1 | -55.9 | -88 | 0 | 0 | 0 | 108 | G28 V29 I31 E50 A53 F54 A78 T85 L107 Y180 | G28-Y87 CarbonylContact C-O 3.52Å; G28-Y87 WeakPolarHBondContact CA-O 3.4Å; V29-Y87 PolarHBondContact N-O 2.83Å; V29-Y87 PolarHBondContact O-N 3.15Å; V29-Y87 VanDerWaalsContact O-N 3.1Å; I31-Y87 HydrophobicContact CD1-CD2 3.99Å; I31-Y87 HydrophobicContact CD1-CE2 3.72Å; E50-Y87 HydrophobicContact CG-CE1 4.31Å; A53-Y87 HydrophobicContact CB-CD1 4.25Å; A53-Y87 HydrophobicContact CB-CE1 3.41Å; A53-Y87 VanDerWaalsContact CB-CE1 3.41Å; F54-Y87 HydrophobicContact CZ-CD1 4.13Å; A78-Y87 HydrophobicContact CB-CD1 3.58Å; A78-Y87 HydrophobicContact CB-CE1 3.92Å; A78-Y87 HydrophobicContact CB-CG 4.37Å; T85-Y87 HydrophobicContact CG2-CD2 4.4Å; T85-Y87 HydrophobicContact CG2-CE2 3.57Å; Y87-L107 HydrophobicContact CD2-CD2 3.77Å; Y87-L107 HydrophobicContact CE2-CD2 3.82Å; Y87-Y180 HydrophobicContact CE2-CE1 4.06Å; Y87-Y180 PolarHBondContact OH-OH 2.89Å |
| 88 | Y | 97.9 | Very high | 96.9 | Very high | 30 Ų | 30 | 38.9 Ų | 38.9 | 12% | 0.118 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 150.7 | -178.7 | 69.6 | -92.1 | 0 | 0 | 0 | 112.8 | T26 I27 N77 Y79 V86 T362 | T26-Y88 HydrophobicContact CG2-CD2 3.97Å; I27-Y88 CarbonylContact O-C 3.6Å; I27-Y88 VanDerWaalsContact O-CA 3.32Å; I27-Y88 WeakPolarHBondContact O-CA 3.38Å; N77-Y88 HydrophobicContact CB-CE1 3.97Å; N77-Y88 HydrophobicContact CB-CE2 3.94Å; N77-Y88 PolarHBondContact N-O 2.96Å; N77-Y88 PolarHBondContact ND2-OH 3.5Å; N77-Y88 VanDerWaalsContact ND2-OH 3.12Å; N77-Y88 PolarHBondContact O-N 3.47Å; Y79-Y88 HydrophobicContact CD1-CE1 4.05Å; Y79-Y88 HydrophobicContact CE1-CD1 4.4Å; Y79-Y88 HydrophobicContact CE1-CE1 4.01Å; V86-Y88 HydrophobicContact CG1-CD1 4.04Å; Y88-T362 HydrophobicContact CD2-CG2 4.46Å; Y88-T362 HydrophobicContact CE2-CG2 3.93Å |
| 89 | A | 97.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 3% | 0.033 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 126.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | T26 I27 H75 L76 A99 | T26-A89 WeakPolarHBondContact CA-O 3.32Å; I27-A89 PolarHBondContact N-O 3.19Å; I27-A89 PolarHBondContact O-N 3.42Å; H75-A89 CarbonylContact O-C 2.84Å; H75-A89 VanDerWaalsContact O-CA 3.26Å; H75-A89 WeakPolarHBondContact O-CA 3.27Å; L76-A89 HydrophobicContact CD1-CB 3.97Å; A89-A99 HydrophobicContact CB-CB 4.01Å |
| 90 | K | 97.4 | Very high | 97 | Very high | 87 Ų | 87 | 35.1 Ų | 35.1 | 38% | 0.378 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 120.8 | 165.2 | -175 | 178.2 | -177.6 | 179 | 0 | 108.5 | S25 A74 H75 | S25-K90 WeakPolarHBondContact O-CA 3.46Å; A74-K90 CarbonylContact C-O 3.6Å; A74-K90 VanDerWaalsContact CA-O 3.23Å; A74-K90 WeakPolarHBondContact CA-O 3.35Å; A74-K90 WeakPolarHBondContact CB-O 3.22Å; H75-K90 HydrophobicContact CB-CB 4.37Å; H75-K90 PolarHBondContact N-O 2.86Å; H75-K90 PolarHBondContact O-N 2.83Å |
| 91 | C | 97.3 | Very high | 97 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 3% | 0.034 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 173.7 | -173.5 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | T24 S25 A74 | T24-C91 CarbonylContact C-O 3.57Å; T24-C91 VanDerWaalsContact CA-O 3.31Å; T24-C91 WeakPolarHBondContact CA-O 3.5Å; S25-C91 PolarHBondContact N-O 3.49Å; S25-C91 PolarHBondContact O-N 2.91Å; A74-C91 HydrophobicContact CB-CB 3.81Å |
| 92 | F | 97.4 | Very high | 97 | Very high | 93 Ų | 93 | 33.7 Ų | 33.7 | 41% | 0.408 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 143.7 | 164.4 | -64.4 | -72.7 | 0 | 0 | 0 | 110 | T24 K94 D95 | T24-F92 HydrophobicContact CG2-CD1 4.3Å; F92-K94 HydrophobicContact CB-CD 4.47Å; F92-K94 HydrophobicContact CB-CG 3.93Å; F92-K94 PolarHBondContact O-N 3.32Å; F92-K94 VanDerWaalsContact O-N 3.13Å; F92-D95 WeakPolarHBondContact O-CA 3.43Å; F92-D95 PolarHBondContact O-N 2.96Å |
| 93 | T | 96.1 | Very high | 97.1 | Very high | 25 Ų | 25 | 32.9 Ų | 32.9 | 15% | 0.153 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -56.7 | -33.5 | -179.8 | -58.7 | 0 | 0 | 0 | 0 | 113 | S22 L23 T24 S25 D95 A96 G192 V193 | S22-T93 PolarHBondContact O-OG1 3.47Å; L23-T93 PolarHBondContact O-N 2.95Å; L23-T93 PolarHBondContact O-OG1 3.04Å; T24-T93 PolarHBondContact N-OG1 3.33Å; S25-T93 PolarHBondContact OG-OG1 3.4Å; T93-D95 PolarHBondContact O-N 3.49Å; T93-A96 WeakPolarHBondContact O-CB 3.5Å; T93-A96 PolarHBondContact O-N 2.95Å; T93-G192 VanDerWaalsContact CG2-C 3.44Å; T93-G192 WeakPolarHBondContact CG2-O 3.33Å; T93-V193 HydrophobicContact CG2-CG2 4.32Å |
| 94 | K | 96.3 | Very high | 97.2 | Very high | 171 Ų | 171 | 32.7 Ų | 32.7 | 74% | 0.743 | 15% | 0.145 | S | C | * | . | G | 310 helix | trans | -62.4 | -24.3 | 175 | 70.9 | -176.6 | -179.8 | 176.8 | 0 | 113.6 | F92 | F92-K94 HydrophobicContact CB-CD 4.47Å; F92-K94 HydrophobicContact CB-CG 3.93Å; F92-K94 PolarHBondContact O-N 3.32Å; F92-K94 VanDerWaalsContact O-N 3.13Å |
| 95 | D | 97.2 | Very high | 97.2 | Very high | 12 Ų | 12 | 31.9 Ų | 31.9 | 6% | 0.064 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -99.2 | 8.8 | -178.4 | -63.6 | -69.9 | 0 | 0 | 0 | 112.2 | M72 F92 T93 E97 R98 A99 | M72-D95 HydrophobicContact CE-CB 3.88Å; F92-D95 WeakPolarHBondContact O-CA 3.43Å; F92-D95 PolarHBondContact O-N 2.96Å; T93-D95 PolarHBondContact O-N 3.49Å; D95-E97 VanDerWaalsContact C-N 3.28Å; D95-E97 PolarHBondContact O-N 3.1Å; D95-R98 WeakPolarHBondContact O-CB 3.25Å; D95-R98 PolarHBondContact O-N 2.68Å; D95-R98 IonicContact OD1-CZ 3.92Å; D95-R98 IonicContact OD1-NH1 3.15Å; D95-R98 PolarHBondContact OD1-NH1 3.44Å; D95-R98 VanDerWaalsContact OD1-NH1 3.15Å; D95-A99 PolarHBondContact O-N 2.91Å |
| 96 | A | 96.8 | Very high | 97 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -54.6 | -40.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I27 T93 R98 A99 V100 V193 | I27-A96 HydrophobicContact CD1-CB 3.53Å; T93-A96 WeakPolarHBondContact O-CB 3.5Å; T93-A96 PolarHBondContact O-N 2.95Å; A96-R98 VanDerWaalsContact C-N 3.34Å; A96-R98 PolarHBondContact O-N 2.82Å; A96-A99 PolarHBondContact O-N 3.47Å; A96-V100 WeakPolarHBondContact O-CG2 3.35Å; A96-V100 PolarHBondContact O-N 3.19Å; A96-V193 HydrophobicContact CB-CG2 3.58Å |
| 97 | E | 97.9 | Very high | 96.8 | Very high | 79 Ų | 79 | 32.4 Ų | 32.4 | 37% | 0.369 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 176.4 | 174.8 | 164 | -155.8 | 0 | 0 | 112 | D95 V100 D101 L201 K204 Y205 | D95-E97 VanDerWaalsContact C-N 3.28Å; D95-E97 PolarHBondContact O-N 3.1Å; E97-V100 PolarHBondContact O-N 3.33Å; E97-D101 PolarHBondContact O-N 2.93Å; E97-L201 HydrophobicContact CB-CD1 4.36Å; E97-L201 HydrophobicContact CB-CD2 3.69Å; E97-L201 HydrophobicContact CG-CD2 3.59Å; E97-K204 IonicContact OE1-NZ 2.61Å; E97-K204 PolarHBondContact OE1-NZ 3.44Å; E97-Y205 HydrophobicContact CG-CE2 3.96Å; E97-Y205 PolarHBondContact OE1-OH 2.78Å |
| 98 | R | 96.8 | Very high | 96.6 | Very high | 133 Ų | 133 | 35 Ų | 35 | 50% | 0.502 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -67.2 | -40.9 | 178.1 | -65.1 | 179.8 | 178.8 | 168.2 | -9.7 | 111.3 | M72 D95 A96 V100 D101 I102 | M72-R98 HydrophobicContact CE-CB 3.86Å; M72-R98 HydrophobicContact SD-CB 3.63Å; M72-R98 HydrophobicContact SD-CG 4.33Å; D95-R98 WeakPolarHBondContact O-CB 3.25Å; D95-R98 PolarHBondContact O-N 2.68Å; D95-R98 IonicContact OD1-CZ 3.92Å; D95-R98 IonicContact OD1-NH1 3.15Å; D95-R98 PolarHBondContact OD1-NH1 3.44Å; D95-R98 VanDerWaalsContact OD1-NH1 3.15Å; A96-R98 VanDerWaalsContact C-N 3.34Å; A96-R98 PolarHBondContact O-N 2.82Å; R98-V100 PolarHBondContact O-N 3Å; R98-D101 PolarHBondContact O-N 3.11Å; R98-I102 VanDerWaalsContact O-CG1 3.32Å; R98-I102 WeakPolarHBondContact O-CG1 3.1Å; R98-I102 PolarHBondContact O-N 2.68Å |
| 99 | A | 97.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | I27 A89 D95 A96 I102 L103 | I27-A99 HydrophobicContact CD1-CB 4.27Å; A89-A99 HydrophobicContact CB-CB 4.01Å; D95-A99 PolarHBondContact O-N 2.91Å; A96-A99 PolarHBondContact O-N 3.47Å; A99-I102 PolarHBondContact O-N 3.39Å; A99-L103 WeakPolarHBondContact O-CB 3.32Å; A99-L103 VanDerWaalsContact O-CG 3.27Å; A99-L103 WeakPolarHBondContact O-CG 3.44Å; A99-L103 PolarHBondContact O-N 3.41Å |
| 100 | V | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.3 | -40.7 | 175.4 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | I27 A96 E97 R98 L103 S104 L198 L201 Y205 M206 | I27-V100 HydrophobicContact CD1-CG2 4.36Å; I27-V100 HydrophobicContact CG2-CG2 3.82Å; A96-V100 WeakPolarHBondContact O-CG2 3.35Å; A96-V100 PolarHBondContact O-N 3.19Å; E97-V100 PolarHBondContact O-N 3.33Å; R98-V100 PolarHBondContact O-N 3Å; V100-L103 PolarHBondContact O-N 3.02Å; V100-S104 VanDerWaalsContact O-CB 3.28Å; V100-S104 WeakPolarHBondContact O-CB 3.28Å; V100-S104 PolarHBondContact O-N 3.4Å; V100-S104 PolarHBondContact O-OG 2.76Å; V100-L198 HydrophobicContact CG2-CD1 4.3Å; V100-L201 HydrophobicContact CB-CB 4.3Å; V100-L201 HydrophobicContact CB-CD1 4.46Å; V100-L201 HydrophobicContact CG1-CB 4.01Å; V100-L201 HydrophobicContact CG2-CB 4.25Å; V100-L201 HydrophobicContact CG2-CD1 4.01Å; V100-Y205 HydrophobicContact CG1-CD2 4.1Å; V100-Y205 HydrophobicContact CG1-CG 4.42Å; V100-M206 HydrophobicContact CG1-CE 4.27Å |
| 101 | D | 97.3 | Very high | 96.1 | Very high | 20 Ų | 20 | 36 Ų | 36 | 11% | 0.107 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.2 | -48.3 | 175.1 | -178.2 | 33.8 | 0 | 0 | 0 | 111.2 | R59 R60 E97 R98 L103 S104 D105 Y205 | R59-D101 IonicContact CZ-OD1 3.96Å; R59-D101 IonicContact NH1-OD1 3.82Å; R59-D101 PolarHBondContact NH1-OD1 3.49Å; R59-D101 IonicContact NH1-OD2 2.62Å; R59-D101 IonicContact NH2-OD1 3.55Å; R59-D101 PolarHBondContact NH2-OD1 2.89Å; R60-D101 IonicContact CZ-OD2 2.7Å; R60-D101 IonicContact NH1-OD1 2.73Å; R60-D101 IonicContact NH1-OD2 3.06Å; R60-D101 IonicContact NH2-OD2 2.7Å; R60-D101 PolarHBondContact NH2-OD2 2.86Å; E97-D101 PolarHBondContact O-N 2.93Å; R98-D101 PolarHBondContact O-N 3.11Å; D101-L103 PolarHBondContact O-N 2.93Å; D101-S104 PolarHBondContact O-N 3.07Å; D101-S104 PolarHBondContact O-OG 3.35Å; D101-D105 WeakPolarHBondContact O-CB 3.33Å; D101-D105 PolarHBondContact O-N 3.44Å; D101-Y205 HydrophobicContact CB-CD1 3.92Å; D101-Y205 HydrophobicContact CB-CE1 3.55Å; D101-Y205 HydrophobicContact CB-CE2 4.49Å; D101-Y205 VanDerWaalsContact CG-CE1 3.5Å; D101-Y205 WeakPolarHBondContact OD1-CD1 3.32Å; D101-Y205 VanDerWaalsContact OD1-CE1 3.3Å; D101-Y205 WeakPolarHBondContact OD1-CE1 3.19Å |
| 102 | I | 96.5 | Very high | 95.9 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.015 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.6 | -51.6 | 177.2 | -71.4 | 165.7 | 0 | 0 | 0 | 111 | L65 E68 V69 M72 L76 R98 A99 S104 D105 I106 | L65-I102 HydrophobicContact CD1-CG1 4.46Å; L65-I102 HydrophobicContact CD1-CG2 3.65Å; E68-I102 HydrophobicContact CG-CD1 4.14Å; V69-I102 HydrophobicContact CG2-CD1 4.14Å; M72-I102 HydrophobicContact CE-CD1 4.4Å; M72-I102 HydrophobicContact SD-CD1 4.19Å; L76-I102 HydrophobicContact CD2-CG2 4.12Å; R98-I102 VanDerWaalsContact O-CG1 3.32Å; R98-I102 WeakPolarHBondContact O-CG1 3.1Å; R98-I102 PolarHBondContact O-N 2.68Å; A99-I102 PolarHBondContact O-N 3.39Å; I102-S104 VanDerWaalsContact C-N 3.33Å; I102-S104 PolarHBondContact O-N 2.97Å; I102-D105 WeakPolarHBondContact O-CB 3.42Å; I102-D105 PolarHBondContact O-N 2.83Å; I102-D105 VanDerWaalsContact O-N 3.15Å; I102-I106 HydrophobicContact CG2-CD1 3.8Å; I102-I106 WeakPolarHBondContact O-CG1 3.29Å; I102-I106 PolarHBondContact O-N 3.29Å |
| 103 | L | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.5 | -43.6 | 179.5 | -69.9 | 169.4 | 0 | 0 | 0 | 111.3 | I27 L76 A99 V100 D101 D105 L107 M206 | I27-L103 HydrophobicContact CG2-CD1 4.21Å; L76-L103 HydrophobicContact CD1-CD2 4.01Å; A99-L103 WeakPolarHBondContact O-CB 3.32Å; A99-L103 VanDerWaalsContact O-CG 3.27Å; A99-L103 WeakPolarHBondContact O-CG 3.44Å; A99-L103 PolarHBondContact O-N 3.41Å; V100-L103 PolarHBondContact O-N 3.02Å; D101-L103 PolarHBondContact O-N 2.93Å; L103-D105 VanDerWaalsContact C-N 3.29Å; L103-D105 PolarHBondContact O-N 3.41Å; L103-L107 VanDerWaalsContact O-CG 3.23Å; L103-L107 WeakPolarHBondContact O-CG 3.28Å; L103-L107 PolarHBondContact O-N 3.1Å; L103-L107 VanDerWaalsContact O-N 3.14Å; L103-M206 HydrophobicContact CB-CE 4.33Å |
| 104 | S | 96.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.9 | -37.5 | 176.9 | 75.9 | 0 | 0 | 0 | 0 | 112.3 | V100 D101 I102 L107 L108 | V100-S104 VanDerWaalsContact O-CB 3.28Å; V100-S104 WeakPolarHBondContact O-CB 3.28Å; V100-S104 PolarHBondContact O-N 3.4Å; V100-S104 PolarHBondContact O-OG 2.76Å; D101-S104 PolarHBondContact O-N 3.07Å; D101-S104 PolarHBondContact O-OG 3.35Å; I102-S104 VanDerWaalsContact C-N 3.33Å; I102-S104 PolarHBondContact O-N 2.97Å; S104-L107 PolarHBondContact O-N 3.01Å; S104-L108 VanDerWaalsContact O-CB 3.27Å; S104-L108 WeakPolarHBondContact O-CB 3.43Å; S104-L108 WeakPolarHBondContact O-CG 3.34Å; S104-L108 PolarHBondContact O-N 3.38Å |
| 105 | D | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.5 | -43.4 | -177.7 | -159.3 | 40.1 | 0 | 0 | 0 | 111.8 | T57 R59 R60 D101 I102 L103 L107 L108 N109 | T57-D105 WeakPolarHBondContact CB-OD2 3.48Å; T57-D105 HydrophobicContact CG2-CB 4.3Å; T57-D105 PolarHBondContact OG1-OD2 2.83Å; R59-D105 IonicContact CZ-OD1 3.16Å; R59-D105 VanDerWaalsContact CZ-OD1 3.27Å; R59-D105 IonicContact NE-OD1 3.62Å; R59-D105 PolarHBondContact NE-OD1 3.3Å; R59-D105 IonicContact NE-OD2 2.74Å; R59-D105 VanDerWaalsContact NH2-CB 3.29Å; R59-D105 IonicContact NH2-OD1 3.63Å; R59-D105 PolarHBondContact NH2-OD1 2.88Å; R59-D105 IonicContact NH2-OD2 3.97Å; R60-D105 IonicContact CZ-OD2 3.46Å; R60-D105 VanDerWaalsContact NH1-CG 3.3Å; R60-D105 IonicContact NH1-OD2 3.55Å; R60-D105 PolarHBondContact NH1-OD2 3.46Å; D101-D105 WeakPolarHBondContact O-CB 3.33Å; D101-D105 PolarHBondContact O-N 3.44Å; I102-D105 WeakPolarHBondContact O-CB 3.42Å; I102-D105 PolarHBondContact O-N 2.83Å; I102-D105 VanDerWaalsContact O-N 3.15Å; L103-D105 VanDerWaalsContact C-N 3.29Å; L103-D105 PolarHBondContact O-N 3.41Å; D105-L107 VanDerWaalsContact C-N 3.3Å; D105-L107 PolarHBondContact O-N 3.5Å; D105-L108 PolarHBondContact O-N 3.2Å; D105-N109 WeakPolarHBondContact O-CA 3.48Å; D105-N109 WeakPolarHBondContact O-CB 3.42Å; D105-N109 PolarHBondContact O-N 2.96Å; D105-N109 PolarHBondContact OD1-ND2 2.99Å |
| 106 | I | 95 | Very high | 95.2 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 175.9 | -71.3 | 170.5 | 0 | 0 | 0 | 110.2 | A53 F54 T57 L65 L76 I102 S110 | A53-I106 HydrophobicContact CB-CG2 3.51Å; A53-I106 WeakPolarHBondContact O-CG2 3.32Å; F54-I106 HydrophobicContact CD1-CD1 4.09Å; F54-I106 HydrophobicContact CE1-CD1 4.07Å; T57-I106 HydrophobicContact CG2-CG1 4.38Å; L65-I106 HydrophobicContact CD1-CD1 4.29Å; L65-I106 HydrophobicContact CD2-CD1 4.05Å; L65-I106 HydrophobicContact CD2-CG1 4.3Å; L76-I106 HydrophobicContact CD2-CD1 4.03Å; I102-I106 HydrophobicContact CG2-CD1 3.8Å; I102-I106 WeakPolarHBondContact O-CG1 3.29Å; I102-I106 PolarHBondContact O-N 3.29Å; I106-S110 WeakPolarHBondContact O-CB 3.32Å; I106-S110 PolarHBondContact O-OG 3.23Å |
| 107 | L | 93.3 | Very high | 95.2 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.8 | -38.2 | -179 | -68 | 172 | 0 | 0 | 0 | 113.6 | V29 I31 Y87 L103 S104 D105 Y180 M206 | V29-L107 HydrophobicContact CB-CD1 3.86Å; V29-L107 HydrophobicContact CG1-CD1 3.79Å; V29-L107 HydrophobicContact CG2-CD1 3.71Å; I31-L107 HydrophobicContact CD1-CD2 3.67Å; Y87-L107 HydrophobicContact CD2-CD2 3.77Å; Y87-L107 HydrophobicContact CE2-CD2 3.82Å; L103-L107 VanDerWaalsContact O-CG 3.23Å; L103-L107 WeakPolarHBondContact O-CG 3.28Å; L103-L107 PolarHBondContact O-N 3.1Å; L103-L107 VanDerWaalsContact O-N 3.14Å; S104-L107 PolarHBondContact O-N 3.01Å; D105-L107 VanDerWaalsContact C-N 3.3Å; D105-L107 PolarHBondContact O-N 3.5Å; L107-Y180 HydrophobicContact CD2-CD1 3.91Å; L107-Y180 HydrophobicContact CD2-CE1 3.73Å; L107-M206 HydrophobicContact CD1-CE 4.49Å |
| 108 | L | 93 | Very high | 95.1 | Very high | 58 Ų | 58 | 38 Ų | 38 | 30% | 0.304 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -94.3 | -35 | -172.4 | -71.9 | 168.2 | 0 | 0 | 0 | 113.7 | S104 D105 L209 | S104-L108 VanDerWaalsContact O-CB 3.27Å; S104-L108 WeakPolarHBondContact O-CB 3.43Å; S104-L108 WeakPolarHBondContact O-CG 3.34Å; S104-L108 PolarHBondContact O-N 3.38Å; D105-L108 PolarHBondContact O-N 3.2Å; L108-L209 HydrophobicContact CD2-CD2 3.59Å; L108-L209 HydrophobicContact CD2-CG 4.16Å; L108-L209 HydrophobicContact CG-CD2 4.05Å |
| 109 | N | 94 | Very high | 95.1 | Very high | 68 Ų | 68 | 39.8 Ų | 39.8 | 36% | 0.364 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -125.7 | 13 | -160.5 | -55.6 | -50.5 | 0 | 0 | 0 | 113.8 | T57 G58 D105 T111 | T57-N109 CarbonylContact C-O 3.44Å; T57-N109 WeakPolarHBondContact CA-O 3.23Å; T57-N109 WeakPolarHBondContact CB-O 3.11Å; G58-N109 PolarHBondContact N-O 2.72Å; D105-N109 WeakPolarHBondContact O-CA 3.48Å; D105-N109 WeakPolarHBondContact O-CB 3.42Å; D105-N109 PolarHBondContact O-N 2.96Å; D105-N109 PolarHBondContact OD1-ND2 2.99Å; N109-T111 PolarHBondContact O-N 2.9Å |
| 110 | S | 94.9 | Very high | 95.1 | Very high | 13 Ų | 13 | 40.2 Ų | 40.2 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -57.7 | 131.1 | 172.1 | -76.9 | 0 | 0 | 0 | 0 | 111.3 | I106 Y112 | I106-S110 WeakPolarHBondContact O-CB 3.32Å; I106-S110 PolarHBondContact O-OG 3.23Å; S110-Y112 VanDerWaalsContact CB-CE1 3.47Å; S110-Y112 VanDerWaalsContact CB-CZ 3.4Å; S110-Y112 WeakPolarHBondContact CB-OH 3.45Å; S110-Y112 WeakPolarHBondContact O-CE2 3.46Å |
| 111 | T | 92.7 | Very high | 95 | Very high | 60 Ų | 60 | 41.5 Ų | 41.5 | 37% | 0.368 | 21% | 0.207 | S | C | . | . | trans | -84.4 | -26 | -169.8 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | G56 N109 G113 R169 | G56-T111 PolarHBondContact O-N 3.38Å; G56-T111 PolarHBondContact O-OG1 2.94Å; N109-T111 PolarHBondContact O-N 2.9Å; T111-G113 PolarHBondContact O-N 3.21Å; T111-R169 PolarHBondContact O-NE 2.86Å; T111-R169 PolarHBondContact O-NH2 3.4Å | ||
| 112 | Y | 93.2 | Very high | 95 | Very high | 17 Ų | 17 | 41.8 Ų | 41.8 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | trans | 49.6 | 54 | -174.3 | -47.7 | -58.3 | 0 | 0 | 0 | 111.5 | L49 M52 S110 R169 L172 I173 V176 | L49-Y112 HydrophobicContact CD1-CD1 4.21Å; L49-Y112 HydrophobicContact CD1-CE1 3.34Å; L49-Y112 WeakPolarHBondContact CD1-OH 3.39Å; M52-Y112 HydrophobicContact CB-CD1 3.91Å; M52-Y112 HydrophobicContact CB-CE1 4.24Å; S110-Y112 VanDerWaalsContact CB-CE1 3.47Å; S110-Y112 VanDerWaalsContact CB-CZ 3.4Å; S110-Y112 WeakPolarHBondContact CB-OH 3.45Å; S110-Y112 WeakPolarHBondContact O-CE2 3.46Å; Y112-R169 WeakPolarHBondContact O-CD 3.17Å; Y112-R169 WeakPolarHBondContact O-CG 3.34Å; Y112-R169 PolarHBondContact O-NE 3.36Å; Y112-R169 VanDerWaalsContact O-NE 3.09Å; Y112-L172 HydrophobicContact CD1-CD1 4.42Å; Y112-I173 HydrophobicContact CD2-CG1 3.94Å; Y112-V176 HydrophobicContact CE2-CG2 4.29Å | ||
| 113 | G | 91.8 | Very high | 95 | Very high | 10 Ų | 10 | 44 Ų | 44 | 10% | 0.103 | 23% | 0.228 | C | C | . | . | trans | -61.5 | 136.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T111 Q115 E116 I117 | T111-G113 PolarHBondContact O-N 3.21Å; G113-Q115 VanDerWaalsContact C-N 3.26Å; G113-Q115 PolarHBondContact O-N 3.32Å; G113-E116 VanDerWaalsContact C-OE2 3.24Å; G113-E116 WeakPolarHBondContact CA-OE2 3.4Å; G113-E116 PolarHBondContact O-N 3.47Å; G113-I117 WeakPolarHBondContact O-CG1 3.47Å; G113-I117 PolarHBondContact O-N 3.06Å | ||
| 114 | P | 93.2 | Very high | 95 | Very high | 95 Ų | 95 | 44 Ų | 44 | 62% | 0.617 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -60.7 | -30.9 | -177.3 | -26.1 | 34.5 | 0 | 0 | 0 | 114.5 | E118 | P114-E118 PolarHBondContact O-N 2.88Å |
| 115 | Q | 93.8 | Very high | 95.1 | Very high | 131 Ų | 131 | 45.7 Ų | 45.7 | 61% | 0.612 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -73.7 | -40.1 | 179.1 | -64.7 | -176.3 | 5.1 | 0 | 0 | 111 | G113 E118 R119 | G113-Q115 VanDerWaalsContact C-N 3.26Å; G113-Q115 PolarHBondContact O-N 3.32Å; Q115-E118 PolarHBondContact O-N 2.93Å; Q115-R119 WeakPolarHBondContact O-CG 3.32Å; Q115-R119 PolarHBondContact O-N 3.14Å |
| 116 | E | 94.5 | Very high | 95.1 | Very high | 53 Ų | 53 | 52 Ų | 52 | 25% | 0.248 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 177.2 | -66.4 | 65.5 | -145.9 | 0 | 0 | 110.1 | M52 K55 G113 E118 R119 E120 | M52-E116 HydrophobicContact CE-CB 3.76Å; K55-E116 HydrophobicContact CB-CB 4.12Å; K55-E116 HydrophobicContact CB-CG 4.24Å; G113-E116 VanDerWaalsContact C-OE2 3.24Å; G113-E116 WeakPolarHBondContact CA-OE2 3.4Å; G113-E116 PolarHBondContact O-N 3.47Å; E116-E118 VanDerWaalsContact C-N 3.31Å; E116-E118 PolarHBondContact O-N 2.91Å; E116-R119 PolarHBondContact O-N 2.7Å; E116-E120 VanDerWaalsContact O-CB 3.29Å; E116-E120 WeakPolarHBondContact O-CB 3.47Å; E116-E120 PolarHBondContact O-N 2.7Å |
| 117 | I | 96.6 | Very high | 95.2 | Very high | 6 Ų | 6 | 54.4 Ų | 54.4 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.9 | -46.5 | 173.8 | -69.8 | 169.2 | 0 | 0 | 0 | 111 | F48 M52 G113 E120 R121 R169 L172 | F48-I117 HydrophobicContact CE1-CG2 4.03Å; F48-I117 HydrophobicContact CZ-CG2 3.98Å; M52-I117 HydrophobicContact CE-CG1 3.62Å; M52-I117 HydrophobicContact SD-CB 4.48Å; M52-I117 HydrophobicContact SD-CG1 3.88Å; G113-I117 WeakPolarHBondContact O-CG1 3.47Å; G113-I117 PolarHBondContact O-N 3.06Å; I117-E120 PolarHBondContact O-N 2.94Å; I117-R121 WeakPolarHBondContact O-CB 3.46Å; I117-R121 PolarHBondContact O-N 2.97Å; I117-R169 HydrophobicContact CD1-CB 3.67Å; I117-R169 HydrophobicContact CD1-CG 4.17Å; I117-L172 HydrophobicContact CD1-CD1 3.81Å; I117-L172 HydrophobicContact CG1-CD1 4.06Å |
| 118 | E | 96.8 | Very high | 95.3 | Very high | 115 Ų | 115 | 55.2 Ų | 55.2 | 54% | 0.537 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.1 | -35.2 | -177.7 | -168.8 | 55.7 | -154 | 0 | 0 | 112.6 | P114 Q115 E116 R121 | P114-E118 PolarHBondContact O-N 2.88Å; Q115-E118 PolarHBondContact O-N 2.93Å; E116-E118 VanDerWaalsContact C-N 3.31Å; E116-E118 PolarHBondContact O-N 2.91Å; E118-R121 IonicContact OE1-NE 3.84Å; E118-R121 IonicContact OE2-CZ 2.81Å; E118-R121 IonicContact OE2-NE 3.81Å; E118-R121 PolarHBondContact OE2-NE 3.2Å; E118-R121 IonicContact OE2-NH2 2.77Å; E118-R121 PolarHBondContact OE2-NH2 3.21Å |
| 119 | R | 95.8 | Very high | 95.4 | Very high | 170 Ų | 170 | 57.7 Ų | 57.7 | 64% | 0.642 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.3 | -45.7 | 172.2 | -72.9 | 175.5 | -178.3 | 168.5 | 4.3 | 111.3 | Q115 E116 R121 G122 | Q115-R119 WeakPolarHBondContact O-CG 3.32Å; Q115-R119 PolarHBondContact O-N 3.14Å; E116-R119 PolarHBondContact O-N 2.7Å; R119-R121 VanDerWaalsContact C-N 3.32Å; R119-R121 PolarHBondContact O-N 3.19Å; R119-G122 PolarHBondContact O-N 3.45Å |
| 120 | E | 96.4 | Very high | 95.5 | Very high | 11 Ų | 11 | 60.7 Ų | 60.7 | 5% | 0.051 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71 | -30.2 | -174.9 | -157.7 | 60.2 | -164.9 | 0 | 0 | 112.6 | F48 H51 M52 K55 E116 I117 G122 V123 I124 | F48-E120 HydrophobicContact CE1-CB 4.36Å; H51-E120 HydrophobicContact CB-CG 3.62Å; H51-E120 IonicContact CE1-OE1 3.82Å; H51-E120 IonicContact CG-OE1 3.36Å; H51-E120 IonicContact ND1-OE1 2.78Å; H51-E120 PolarHBondContact ND1-OE1 3.26Å; M52-E120 HydrophobicContact SD-CB 3.96Å; M52-E120 HydrophobicContact SD-CG 4.28Å; K55-E120 WeakPolarHBondContact CE-OE1 3.35Å; K55-E120 WeakPolarHBondContact CE-OE2 3.27Å; K55-E120 IonicContact NZ-OE1 4Å; K55-E120 PolarHBondContact NZ-OE1 3.23Å; K55-E120 IonicContact NZ-OE2 2.81Å; K55-E120 PolarHBondContact NZ-OE2 3.47Å; E116-E120 VanDerWaalsContact O-CB 3.29Å; E116-E120 WeakPolarHBondContact O-CB 3.47Å; E116-E120 PolarHBondContact O-N 2.7Å; I117-E120 PolarHBondContact O-N 2.94Å; E120-G122 PolarHBondContact O-N 3.5Å; E120-V123 WeakPolarHBondContact O-CA 3.26Å; E120-V123 VanDerWaalsContact O-CB 3.32Å; E120-V123 WeakPolarHBondContact O-CB 3.33Å; E120-V123 PolarHBondContact O-N 3.41Å; E120-I124 HydrophobicContact CG-CD1 4.24Å; E120-I124 HydrophobicContact CG-CG1 4.45Å; E120-I124 WeakPolarHBondContact O-CG1 3.33Å; E120-I124 PolarHBondContact O-N 2.64Å |
| 121 | R | 97 | Very high | 95.5 | Very high | 26 Ų | 26 | 62 Ų | 62 | 10% | 0.098 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -50.9 | -43.4 | 171.1 | -168.3 | -175.2 | -52.2 | -62.3 | 2.5 | 112.3 | F48 I117 E118 R119 V123 L125 I164 I167 | F48-R121 HydrophobicContact CE2-CB 4.4Å; F48-R121 HydrophobicContact CZ-CB 4.13Å; I117-R121 WeakPolarHBondContact O-CB 3.46Å; I117-R121 PolarHBondContact O-N 2.97Å; E118-R121 IonicContact OE1-NE 3.84Å; E118-R121 IonicContact OE2-CZ 2.81Å; E118-R121 IonicContact OE2-NE 3.81Å; E118-R121 PolarHBondContact OE2-NE 3.2Å; E118-R121 IonicContact OE2-NH2 2.77Å; E118-R121 PolarHBondContact OE2-NH2 3.21Å; R119-R121 VanDerWaalsContact C-N 3.32Å; R119-R121 PolarHBondContact O-N 3.19Å; R121-V123 VanDerWaalsContact C-N 3.32Å; R121-L125 HydrophobicContact CG-CD1 4.47Å; R121-L125 WeakPolarHBondContact O-CB 3.39Å; R121-L125 VanDerWaalsContact O-CG 3.29Å; R121-L125 WeakPolarHBondContact O-CG 3.48Å; R121-L125 PolarHBondContact O-N 3.34Å; R121-L125 VanDerWaalsContact O-N 3.09Å; R121-I164 HydrophobicContact CG-CG2 4.27Å; R121-I164 WeakPolarHBondContact CG-O 3.46Å; R121-I164 PolarHBondContact NH1-O 2.76Å; R121-I167 PolarHBondContact NH1-O 2.88Å; R121-I167 VanDerWaalsContact NH1-O 3.13Å; R121-I167 PolarHBondContact NH2-O 2.87Å |
| 122 | G | 96.7 | Very high | 95.6 | Very high | 27 Ų | 27 | 64.4 Ų | 64.4 | 28% | 0.278 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.1 | -28.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R119 E120 R126 | R119-G122 PolarHBondContact O-N 3.45Å; E120-G122 PolarHBondContact O-N 3.5Å; G122-R126 WeakPolarHBondContact O-CG 3.48Å; G122-R126 VanDerWaalsContact O-CZ 3.28Å; G122-R126 PolarHBondContact O-N 3.41Å; G122-R126 PolarHBondContact O-NH1 2.95Å |
| 123 | V | 97.3 | Very high | 95.6 | Very high | 48 Ų | 48 | 70.9 Ų | 70.9 | 29% | 0.291 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.9 | -52.1 | 175.3 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | E120 R121 L125 R126 E127 | E120-V123 WeakPolarHBondContact O-CA 3.26Å; E120-V123 VanDerWaalsContact O-CB 3.32Å; E120-V123 WeakPolarHBondContact O-CB 3.33Å; E120-V123 PolarHBondContact O-N 3.41Å; R121-V123 VanDerWaalsContact C-N 3.32Å; V123-L125 VanDerWaalsContact C-N 3.28Å; V123-L125 PolarHBondContact O-N 3.24Å; V123-R126 WeakPolarHBondContact O-CB 3.41Å; V123-R126 PolarHBondContact O-N 3.26Å; V123-E127 PolarHBondContact O-N 2.91Å |
| 124 | I | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.2 | -39.1 | -179.8 | -63.7 | 165.5 | 0 | 0 | 0 | 111 | F48 H51 E120 R126 E127 M128 I164 | F48-I124 HydrophobicContact CB-CD1 4.16Å; F48-I124 HydrophobicContact CD1-CD1 3.84Å; F48-I124 HydrophobicContact CD2-CD1 3.48Å; F48-I124 VanDerWaalsContact CD2-CD1 3.48Å; F48-I124 HydrophobicContact CE1-CD1 3.98Å; F48-I124 HydrophobicContact CE2-CD1 3.67Å; F48-I124 HydrophobicContact CG-CD1 3.56Å; F48-I124 HydrophobicContact CZ-CD1 3.9Å; H51-I124 HydrophobicContact CB-CD1 4.36Å; E120-I124 HydrophobicContact CG-CD1 4.24Å; E120-I124 HydrophobicContact CG-CG1 4.45Å; E120-I124 WeakPolarHBondContact O-CG1 3.33Å; E120-I124 PolarHBondContact O-N 2.64Å; I124-R126 VanDerWaalsContact C-N 3.29Å; I124-R126 PolarHBondContact O-N 3.43Å; I124-E127 PolarHBondContact O-N 3.47Å; I124-M128 WeakPolarHBondContact O-CB 3.18Å; I124-M128 PolarHBondContact O-N 3.44Å; I124-I164 HydrophobicContact CB-CG2 4.37Å; I124-I164 HydrophobicContact CG2-CD1 4.03Å; I124-I164 HydrophobicContact CG2-CG1 4.29Å; I124-I164 HydrophobicContact CG2-CG2 3.97Å |
| 125 | L | 97.5 | Very high | 95.9 | Very high | 39 Ų | 39 | 71.2 Ų | 71.2 | 20% | 0.204 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.5 | -29.6 | 176 | -74.2 | 172.2 | 0 | 0 | 0 | 113.4 | R121 V123 M128 Q129 T161 I164 K165 | R121-L125 HydrophobicContact CG-CD1 4.47Å; R121-L125 WeakPolarHBondContact O-CB 3.39Å; R121-L125 VanDerWaalsContact O-CG 3.29Å; R121-L125 WeakPolarHBondContact O-CG 3.48Å; R121-L125 PolarHBondContact O-N 3.34Å; R121-L125 VanDerWaalsContact O-N 3.09Å; V123-L125 VanDerWaalsContact C-N 3.28Å; V123-L125 PolarHBondContact O-N 3.24Å; L125-M128 HydrophobicContact CD2-CE 4.09Å; L125-Q129 WeakPolarHBondContact O-CG 3.48Å; L125-Q129 PolarHBondContact O-N 2.94Å; L125-T161 HydrophobicContact CD2-CG2 4.11Å; L125-I164 HydrophobicContact CD2-CB 4.24Å; L125-I164 HydrophobicContact CD2-CD1 4.45Å; L125-I164 HydrophobicContact CD2-CG2 3.82Å; L125-I164 HydrophobicContact CG-CG2 3.87Å; L125-K165 HydrophobicContact CD1-CG 4.45Å |
| 126 | R | 97.4 | Very high | 96 | Very high | 133 Ų | 133 | 67.9 Ų | 67.9 | 50% | 0.502 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -77.2 | -42 | 173.9 | -74 | -172.7 | -60.6 | -85.9 | 2.3 | 111.3 | G122 V123 I124 M128 Q129 E130 | G122-R126 WeakPolarHBondContact O-CG 3.48Å; G122-R126 VanDerWaalsContact O-CZ 3.28Å; G122-R126 PolarHBondContact O-N 3.41Å; G122-R126 PolarHBondContact O-NH1 2.95Å; V123-R126 WeakPolarHBondContact O-CB 3.41Å; V123-R126 PolarHBondContact O-N 3.26Å; I124-R126 VanDerWaalsContact C-N 3.29Å; I124-R126 PolarHBondContact O-N 3.43Å; R126-M128 VanDerWaalsContact C-N 3.27Å; R126-M128 PolarHBondContact O-N 3.39Å; R126-Q129 WeakPolarHBondContact O-CA 3Å; R126-Q129 VanDerWaalsContact O-CB 3.3Å; R126-Q129 WeakPolarHBondContact O-CB 3.43Å; R126-Q129 PolarHBondContact O-N 2.8Å; R126-E130 PolarHBondContact O-N 2.97Å |
| 127 | E | 96.7 | Very high | 96.1 | Very high | 54 Ų | 54 | 70.2 Ų | 70.2 | 25% | 0.252 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58 | -42 | 173.6 | 178.1 | -178.8 | -164.2 | 0 | 0 | 111.4 | H47 H51 V123 I124 Q129 E130 V131 | H47-E127 IonicContact CE1-OE1 3.53Å; H47-E127 IonicContact CE1-OE2 3.87Å; H47-E127 PolarHBondContact CE1-OE2 3.05Å; H47-E127 IonicContact NE2-OE1 4Å; H47-E127 IonicContact NE2-OE2 3.22Å; H51-E127 IonicContact CE1-OE2 2.91Å; H51-E127 PolarHBondContact CE1-OE2 3.34Å; H51-E127 IonicContact NE2-OE2 2.78Å; H51-E127 PolarHBondContact NE2-OE2 3.32Å; V123-E127 PolarHBondContact O-N 2.91Å; I124-E127 PolarHBondContact O-N 3.47Å; E127-Q129 PolarHBondContact O-N 3.07Å; E127-E130 CarbonylContact O-C 3.53Å; E127-E130 WeakPolarHBondContact O-CA 3.48Å; E127-E130 WeakPolarHBondContact O-CB 3.42Å; E127-E130 PolarHBondContact O-N 3.31Å; E127-V131 HydrophobicContact CG-CG2 4.41Å; E127-V131 WeakPolarHBondContact O-CG2 3.25Å; E127-V131 PolarHBondContact O-N 2.89Å |
| 128 | M | 95.4 | Very high | 96 | Very high | 26 Ų | 26 | 71.5 Ų | 71.5 | 13% | 0.128 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.9 | -40.2 | 172.8 | -175.5 | -173 | 75.1 | 0 | 0 | 111.9 | I124 L125 R126 E130 V131 E132 L158 T161 I164 | I124-M128 WeakPolarHBondContact O-CB 3.18Å; I124-M128 PolarHBondContact O-N 3.44Å; L125-M128 HydrophobicContact CD2-CE 4.09Å; R126-M128 VanDerWaalsContact C-N 3.27Å; R126-M128 PolarHBondContact O-N 3.39Å; M128-E130 VanDerWaalsContact C-N 3.32Å; M128-E130 PolarHBondContact O-N 2.88Å; M128-V131 PolarHBondContact O-N 3.4Å; M128-E132 WeakPolarHBondContact O-CB 3.44Å; M128-E132 VanDerWaalsContact O-CG 3.28Å; M128-E132 WeakPolarHBondContact O-CG 3.26Å; M128-E132 PolarHBondContact O-N 3.26Å; M128-L158 HydrophobicContact CB-CD2 3.9Å; M128-L158 HydrophobicContact CG-CD2 4.25Å; M128-T161 WeakPolarHBondContact CE-OG1 3.43Å; M128-T161 PolarHBondContact SD-OG1 3.1Å; M128-T161 VanDerWaalsContact SD-OG1 3.36Å; M128-I164 HydrophobicContact SD-CD1 3.93Å |
| 129 | Q | 95.6 | Very high | 96.1 | Very high | 109 Ų | 109 | 67.1 Ų | 67.1 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.8 | -30.6 | 174.8 | -65.6 | 172.2 | -20.9 | 0 | 0 | 112.8 | L125 R126 E127 Q133 | L125-Q129 WeakPolarHBondContact O-CG 3.48Å; L125-Q129 PolarHBondContact O-N 2.94Å; R126-Q129 WeakPolarHBondContact O-CA 3Å; R126-Q129 VanDerWaalsContact O-CB 3.3Å; R126-Q129 WeakPolarHBondContact O-CB 3.43Å; R126-Q129 PolarHBondContact O-N 2.8Å; E127-Q129 PolarHBondContact O-N 3.07Å; Q129-Q133 WeakPolarHBondContact O-CG 3.36Å |
| 130 | E | 95.9 | Very high | 96.1 | Very high | 131 Ų | 131 | 60.6 Ų | 60.6 | 61% | 0.612 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -73.1 | -42.5 | 174.4 | -66.8 | 173.3 | -171.7 | 0 | 0 | 110.9 | R126 E127 M128 E132 Q133 | R126-E130 PolarHBondContact O-N 2.97Å; E127-E130 CarbonylContact O-C 3.53Å; E127-E130 WeakPolarHBondContact O-CA 3.48Å; E127-E130 WeakPolarHBondContact O-CB 3.42Å; E127-E130 PolarHBondContact O-N 3.31Å; M128-E130 VanDerWaalsContact C-N 3.32Å; M128-E130 PolarHBondContact O-N 2.88Å; E130-E132 VanDerWaalsContact C-N 3.32Å; E130-E132 PolarHBondContact O-N 3.47Å; E130-Q133 WeakPolarHBondContact O-CB 3.48Å; E130-Q133 PolarHBondContact O-N 3.25Å |
| 131 | V | 94.7 | Very high | 96.1 | Very high | 42 Ų | 42 | 62 Ų | 62 | 26% | 0.255 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 174.6 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | E127 M128 Q133 N134 E137 L158 | E127-V131 HydrophobicContact CG-CG2 4.41Å; E127-V131 WeakPolarHBondContact O-CG2 3.25Å; E127-V131 PolarHBondContact O-N 2.89Å; M128-V131 PolarHBondContact O-N 3.4Å; V131-Q133 PolarHBondContact O-N 2.62Å; V131-Q133 VanDerWaalsContact O-N 3.13Å; V131-N134 PolarHBondContact O-N 2.92Å; V131-E137 HydrophobicContact CG1-CB 3.88Å; V131-E137 HydrophobicContact CG1-CG 4.48Å; V131-L158 HydrophobicContact CB-CD2 4.35Å; V131-L158 HydrophobicContact CG2-CD2 4.11Å |
| 132 | E | 93.3 | Very high | 96.1 | Very high | 109 Ų | 109 | 65 Ų | 65 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -19 | 173.5 | -79.7 | 175.3 | 178.3 | 0 | 0 | 113.3 | M128 E130 M135 | M128-E132 WeakPolarHBondContact O-CB 3.44Å; M128-E132 VanDerWaalsContact O-CG 3.28Å; M128-E132 WeakPolarHBondContact O-CG 3.26Å; M128-E132 PolarHBondContact O-N 3.26Å; E130-E132 VanDerWaalsContact C-N 3.32Å; E130-E132 PolarHBondContact O-N 3.47Å; E132-M135 WeakPolarHBondContact O-CE 3.46Å |
| 133 | Q | 93.8 | Very high | 96.1 | Very high | 154 Ų | 154 | 64.6 Ų | 64.6 | 72% | 0.72 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -17.4 | 173.5 | -64.1 | 170.6 | 17.9 | 0 | 0 | 112.7 | Q129 E130 V131 M135 | Q129-Q133 WeakPolarHBondContact O-CG 3.36Å; E130-Q133 WeakPolarHBondContact O-CB 3.48Å; E130-Q133 PolarHBondContact O-N 3.25Å; V131-Q133 PolarHBondContact O-N 2.62Å; V131-Q133 VanDerWaalsContact O-N 3.13Å; Q133-M135 PolarHBondContact O-N 2.84Å |
| 134 | N | 95.7 | Very high | 96.1 | Very high | 74 Ų | 74 | 62.5 Ų | 62.5 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | trans | -88 | 96.6 | 173.6 | -172.7 | -16.7 | 0 | 0 | 0 | 110.1 | V131 Q136 E137 V138 | V131-N134 PolarHBondContact O-N 2.92Å; N134-Q136 PolarHBondContact O-N 2.84Å; N134-Q136 VanDerWaalsContact O-N 3.13Å; N134-Q136 WeakPolarHBondContact OD1-CB 3.49Å; N134-Q136 PolarHBondContact OD1-N 3.01Å; N134-Q136 VanDerWaalsContact OD1-N 3.14Å; N134-E137 HydrophobicContact CB-CB 4.25Å; N134-E137 HydrophobicContact CB-CG 4.09Å; N134-E137 PolarHBondContact O-N 2.88Å; N134-E137 VanDerWaalsContact O-N 3.1Å; N134-V138 PolarHBondContact O-N 3.19Å; N134-V138 VanDerWaalsContact O-N 3.11Å | ||
| 135 | M | 95.3 | Very high | 96.1 | Very high | 38 Ų | 38 | 64.6 Ų | 64.6 | 19% | 0.187 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.9 | -26.7 | -177.2 | -62.9 | -63.9 | 96.9 | 0 | 0 | 113.7 | E132 Q133 V138 V139 M237 Y241 | E132-M135 WeakPolarHBondContact O-CE 3.46Å; Q133-M135 PolarHBondContact O-N 2.84Å; M135-V138 HydrophobicContact CE-CG2 4.25Å; M135-V139 WeakPolarHBondContact O-CB 3.27Å; M135-V139 WeakPolarHBondContact O-CG2 3.49Å; M135-V139 PolarHBondContact O-N 3.24Å; M135-M237 HydrophobicContact SD-CE 3.85Å; M135-M237 HydrophobicContact SD-SD 4.24Å; M135-Y241 HydrophobicContact CB-CD1 3.58Å; M135-Y241 HydrophobicContact CB-CD2 3.95Å; M135-Y241 HydrophobicContact CB-CE1 3.86Å; M135-Y241 HydrophobicContact CB-CE2 4.21Å; M135-Y241 HydrophobicContact CB-CG 3.63Å; M135-Y241 HydrophobicContact CG-CD1 4.1Å; M135-Y241 HydrophobicContact CG-CD2 3.78Å; M135-Y241 HydrophobicContact CG-CE1 3.97Å; M135-Y241 HydrophobicContact CG-CE2 3.66Å; M135-Y241 HydrophobicContact CG-CG 4Å; M135-Y241 HydrophobicContact SD-CD2 4.17Å; M135-Y241 HydrophobicContact SD-CE2 4.25Å |
| 136 | Q | 96.1 | Very high | 96 | Very high | 60 Ų | 60 | 63.7 Ų | 63.7 | 28% | 0.28 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.8 | -49.5 | 175.8 | -172.6 | 167.7 | 7.2 | 0 | 0 | 110.3 | N134 V138 V139 F140 Q297 Y312 | N134-Q136 PolarHBondContact O-N 2.84Å; N134-Q136 VanDerWaalsContact O-N 3.13Å; N134-Q136 WeakPolarHBondContact OD1-CB 3.49Å; N134-Q136 PolarHBondContact OD1-N 3.01Å; N134-Q136 VanDerWaalsContact OD1-N 3.14Å; Q136-V138 PolarHBondContact O-N 3.33Å; Q136-V139 PolarHBondContact O-N 3.44Å; Q136-F140 HydrophobicContact CG-CD2 3.7Å; Q136-F140 HydrophobicContact CG-CE2 3.63Å; Q136-F140 WeakPolarHBondContact O-CD2 3.31Å; Q136-F140 PolarHBondContact O-N 3.21Å; Q136-Q297 VanDerWaalsContact NE2-OE1 3.14Å; Q136-Y312 HydrophobicContact CB-CE1 4.24Å; Q136-Y312 HydrophobicContact CB-CE2 4.36Å; Q136-Y312 HydrophobicContact CG-CD1 4.36Å; Q136-Y312 HydrophobicContact CG-CE1 4.11Å; Q136-Y312 HydrophobicContact CG-CE2 4.3Å; Q136-Y312 PolarHBondContact N-OH 2.87Å |
| 137 | E | 96.3 | Very high | 96 | Very high | 102 Ų | 102 | 57.6 Ų | 57.6 | 48% | 0.477 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 177.5 | -66.3 | -63.5 | 158.8 | 0 | 0 | 111.8 | V131 N134 V139 F140 D141 | V131-E137 HydrophobicContact CG1-CB 3.88Å; V131-E137 HydrophobicContact CG1-CG 4.48Å; N134-E137 HydrophobicContact CB-CB 4.25Å; N134-E137 HydrophobicContact CB-CG 4.09Å; N134-E137 PolarHBondContact O-N 2.88Å; N134-E137 VanDerWaalsContact O-N 3.1Å; E137-V139 PolarHBondContact O-N 2.93Å; E137-F140 PolarHBondContact O-N 2.9Å; E137-D141 PolarHBondContact O-N 3.04Å |
| 138 | V | 96.1 | Very high | 96 | Very high | 33 Ų | 33 | 55 Ų | 55 | 20% | 0.2 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.6 | -48 | 177.4 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | N134 M135 Q136 F140 D141 Y142 | N134-V138 PolarHBondContact O-N 3.19Å; N134-V138 VanDerWaalsContact O-N 3.11Å; M135-V138 HydrophobicContact CE-CG2 4.25Å; Q136-V138 PolarHBondContact O-N 3.33Å; V138-F140 PolarHBondContact O-N 3.02Å; V138-D141 PolarHBondContact O-N 3.25Å; V138-Y142 HydrophobicContact CG1-CD2 4.27Å; V138-Y142 HydrophobicContact CG1-CE2 3.99Å; V138-Y142 PolarHBondContact O-N 2.94Å |
| 139 | V | 97.4 | Very high | 95.9 | Very high | 23 Ų | 23 | 57.8 Ų | 57.8 | 14% | 0.139 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 179.2 | 167.5 | 0 | 0 | 0 | 0 | 111.1 | M135 Q136 E137 Y142 L143 Y241 A243 Y312 | M135-V139 WeakPolarHBondContact O-CB 3.27Å; M135-V139 WeakPolarHBondContact O-CG2 3.49Å; M135-V139 PolarHBondContact O-N 3.24Å; Q136-V139 PolarHBondContact O-N 3.44Å; E137-V139 PolarHBondContact O-N 2.93Å; V139-Y142 PolarHBondContact O-N 2.9Å; V139-L143 VanDerWaalsContact O-CB 3.26Å; V139-L143 WeakPolarHBondContact O-CB 3.35Å; V139-L143 PolarHBondContact O-N 3.39Å; V139-Y241 WeakPolarHBondContact CG2-O 3.43Å; V139-A243 HydrophobicContact CG1-CB 3.46Å; V139-A243 VanDerWaalsContact CG1-CB 3.46Å; V139-Y312 HydrophobicContact CB-CD2 4.47Å; V139-Y312 HydrophobicContact CB-CE2 3.99Å; V139-Y312 HydrophobicContact CG1-CD2 4.01Å; V139-Y312 HydrophobicContact CG1-CE2 3.98Å; V139-Y312 HydrophobicContact CG2-CE2 4.22Å |
| 140 | F | 97.5 | Very high | 95.7 | Very high | 33 Ų | 33 | 56.7 Ų | 56.7 | 15% | 0.145 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.7 | -36.6 | 177.5 | -85.9 | -71.9 | 0 | 0 | 0 | 112.1 | Q136 E137 V138 L143 H144 F299 Y312 | Q136-F140 HydrophobicContact CG-CD2 3.7Å; Q136-F140 HydrophobicContact CG-CE2 3.63Å; Q136-F140 WeakPolarHBondContact O-CD2 3.31Å; Q136-F140 PolarHBondContact O-N 3.21Å; E137-F140 PolarHBondContact O-N 2.9Å; V138-F140 PolarHBondContact O-N 3.02Å; F140-L143 HydrophobicContact CD1-CD2 4.09Å; F140-L143 HydrophobicContact CE1-CD2 4.22Å; F140-L143 PolarHBondContact O-N 3.4Å; F140-H144 PolarHBondContact O-N 3.44Å; F140-H144 PolarHBondContact O-ND1 3.46Å; F140-F299 AromaticContact CE1-CD1 3.77Å; F140-F299 HydrophobicContact CE1-CD1 3.77Å; F140-F299 AromaticContact CE1-CD2 3.91Å; F140-F299 HydrophobicContact CE1-CD2 3.91Å; F140-F299 AromaticContact CE1-CE1 3.8Å; F140-F299 HydrophobicContact CE1-CE1 3.8Å; F140-F299 AromaticContact CE1-CE2 3.97Å; F140-F299 HydrophobicContact CE1-CE2 3.97Å; F140-F299 AromaticContact CE1-CG 3.82Å; F140-F299 HydrophobicContact CE1-CG 3.82Å; F140-F299 AromaticContact CE1-CZ 3.9Å; F140-F299 HydrophobicContact CE1-CZ 3.9Å; F140-F299 HydrophobicContact CZ-CB 4.31Å; F140-F299 AromaticContact CZ-CD1 3.55Å; F140-F299 HydrophobicContact CZ-CD1 3.55Å; F140-F299 HydrophobicContact CZ-CD2 4.42Å; F140-F299 AromaticContact CZ-CE1 3.85Å; F140-F299 HydrophobicContact CZ-CE1 3.85Å; F140-F299 AromaticContact CZ-CG 3.85Å; F140-F299 HydrophobicContact CZ-CG 3.85Å; F140-F299 HydrophobicContact CZ-CZ 4.43Å; F140-Y312 HydrophobicContact CE2-CD2 4.37Å; F140-Y312 HydrophobicContact CE2-CG 4.4Å |
| 141 | D | 96.3 | Very high | 95.6 | Very high | 41 Ų | 41 | 51.3 Ų | 51.3 | 22% | 0.219 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65.9 | -43 | 176.5 | -156.1 | 48.3 | 0 | 0 | 0 | 111.7 | R82 E137 V138 H144 S145 T156 | R82-D141 IonicContact CZ-OD1 3.61Å; R82-D141 IonicContact NH2-OD1 3.91Å; R82-D141 PolarHBondContact NH2-OD1 3.25Å; E137-D141 PolarHBondContact O-N 3.04Å; V138-D141 PolarHBondContact O-N 3.25Å; D141-H144 PolarHBondContact O-N 2.69Å; D141-S145 PolarHBondContact O-N 2.91Å; D141-T156 VanDerWaalsContact OD1-CA 3.32Å; D141-T156 WeakPolarHBondContact OD1-CA 3.31Å; D141-T156 WeakPolarHBondContact OD1-CB 3.27Å; D141-T156 PolarHBondContact OD1-OG1 3.19Å; D141-T156 WeakPolarHBondContact OD2-CB 3.46Å; D141-T156 PolarHBondContact OD2-OG1 2.61Å |
| 142 | Y | 96.1 | Very high | 95.6 | Very high | 90 Ų | 90 | 50 Ų | 50 | 35% | 0.353 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.4 | -36.2 | 173 | -71 | -6.4 | 0 | 0 | 0 | 113.2 | V138 V139 H144 S145 T146 M230 | V138-Y142 HydrophobicContact CG1-CD2 4.27Å; V138-Y142 HydrophobicContact CG1-CE2 3.99Å; V138-Y142 PolarHBondContact O-N 2.94Å; V139-Y142 PolarHBondContact O-N 2.9Å; Y142-H144 VanDerWaalsContact C-N 3.3Å; Y142-H144 PolarHBondContact O-N 2.7Å; Y142-S145 PolarHBondContact O-N 3.33Å; Y142-S145 PolarHBondContact O-OG 3.37Å; Y142-T146 WeakPolarHBondContact O-CB 3Å; Y142-T146 WeakPolarHBondContact O-CG2 3.16Å; Y142-T146 PolarHBondContact O-N 2.85Å; Y142-T146 PolarHBondContact O-OG1 3.12Å; Y142-M230 HydrophobicContact CD1-CE 4.07Å; Y142-M230 HydrophobicContact CD1-SD 4.4Å; Y142-M230 HydrophobicContact CD2-CE 3.69Å; Y142-M230 HydrophobicContact CD2-SD 4.13Å; Y142-M230 HydrophobicContact CE1-CE 4.11Å; Y142-M230 HydrophobicContact CE2-CE 3.72Å; Y142-M230 HydrophobicContact CG-CE 3.87Å; Y142-M230 HydrophobicContact CG-SD 3.94Å |
| 143 | L | 97.8 | Very high | 95.7 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 9% | 0.089 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.4 | -42.2 | 173.9 | 177.3 | 62.6 | 0 | 0 | 0 | 110.9 | V139 F140 T146 A147 A243 A245 F299 L308 | V139-L143 VanDerWaalsContact O-CB 3.26Å; V139-L143 WeakPolarHBondContact O-CB 3.35Å; V139-L143 PolarHBondContact O-N 3.39Å; F140-L143 HydrophobicContact CD1-CD2 4.09Å; F140-L143 HydrophobicContact CE1-CD2 4.22Å; F140-L143 PolarHBondContact O-N 3.4Å; L143-T146 WeakPolarHBondContact CA-OG1 3.31Å; L143-T146 PolarHBondContact O-OG1 3.37Å; L143-A147 WeakPolarHBondContact O-CB 3.44Å; L143-A147 PolarHBondContact O-N 3.32Å; L143-A243 HydrophobicContact CD2-CB 3.87Å; L143-A245 HydrophobicContact CD1-CB 3.93Å; L143-A245 HydrophobicContact CD2-CB 4.02Å; L143-A245 HydrophobicContact CG-CB 4.49Å; L143-F299 HydrophobicContact CD2-CE1 4.47Å; L143-F299 HydrophobicContact CD2-CE2 3.97Å; L143-F299 HydrophobicContact CD2-CZ 3.54Å; L143-L308 HydrophobicContact CD2-CD1 4.11Å; L143-L308 HydrophobicContact CG-CD1 4.05Å |
| 144 | H | 97 | Very high | 95.8 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 2% | 0.023 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.2 | -42.6 | 176.4 | -74.1 | 85.3 | 0 | 0 | 0 | 112.3 | R82 F140 D141 Y142 T146 F148 A154 Y303 | R82-H144 VanDerWaalsContact CZ-CG 3.43Å; R82-H144 PolarHBondContact NE-CD2 2.61Å; F140-H144 PolarHBondContact O-N 3.44Å; F140-H144 PolarHBondContact O-ND1 3.46Å; D141-H144 PolarHBondContact O-N 2.69Å; Y142-H144 VanDerWaalsContact C-N 3.3Å; Y142-H144 PolarHBondContact O-N 2.7Å; H144-T146 PolarHBondContact O-N 3.47Å; H144-F148 AromaticContact CD2-CE2 3.91Å; H144-F148 WeakPolarHBondContact O-CB 3.41Å; H144-F148 PolarHBondContact O-N 3Å; H144-A154 WeakPolarHBondContact O-CA 3.39Å; H144-Y303 PolarHBondContact CD2-OH 2.65Å; H144-Y303 VanDerWaalsContact CD2-OH 3.32Å; H144-Y303 AromaticContact NE2-CE2 3.73Å; H144-Y303 AromaticContact NE2-CZ 3.58Å; H144-Y303 PolarHBondContact NE2-OH 2.93Å |
| 145 | S | 95.5 | Very high | 95.8 | Very high | 43 Ų | 43 | 36.7 Ų | 36.7 | 30% | 0.301 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.1 | -35 | -179.2 | 78.2 | 0 | 0 | 0 | 0 | 112.2 | D141 Y142 Q149 | D141-S145 PolarHBondContact O-N 2.91Å; Y142-S145 PolarHBondContact O-N 3.33Å; Y142-S145 PolarHBondContact O-OG 3.37Å; S145-Q149 WeakPolarHBondContact O-CG 3.29Å |
| 146 | T | 95.9 | Very high | 95.8 | Very high | 21 Ų | 21 | 36.2 Ų | 36.2 | 13% | 0.129 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -82.4 | -45.9 | 178.7 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | Y142 L143 H144 F148 Q149 S228 M230 | Y142-T146 WeakPolarHBondContact O-CB 3Å; Y142-T146 WeakPolarHBondContact O-CG2 3.16Å; Y142-T146 PolarHBondContact O-N 2.85Å; Y142-T146 PolarHBondContact O-OG1 3.12Å; L143-T146 WeakPolarHBondContact CA-OG1 3.31Å; L143-T146 PolarHBondContact O-OG1 3.37Å; H144-T146 PolarHBondContact O-N 3.47Å; T146-F148 VanDerWaalsContact C-N 3.3Å; T146-F148 PolarHBondContact O-N 3.14Å; T146-Q149 WeakPolarHBondContact O-CG 3Å; T146-Q149 PolarHBondContact O-NE2 3.37Å; T146-S228 WeakPolarHBondContact CB-OG 3.1Å; T146-S228 PolarHBondContact O-OG 3.43Å; T146-M230 HydrophobicContact CG2-CB 3.44Å; T146-M230 VanDerWaalsContact CG2-CB 3.44Å; T146-M230 HydrophobicContact CG2-CG 4.24Å; T146-M230 HydrophobicContact CG2-SD 3.81Å |
| 147 | A | 97.1 | Very high | 95.9 | Very high | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.033 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.4 | -31.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L143 F225 T226 L308 | L143-A147 WeakPolarHBondContact O-CB 3.44Å; L143-A147 PolarHBondContact O-N 3.32Å; A147-F225 HydrophobicContact CB-CD2 4.04Å; A147-F225 HydrophobicContact CB-CE2 3.82Å; A147-F225 CarbonylContact O-C 3.6Å; A147-F225 VanDerWaalsContact O-CA 3.31Å; A147-F225 WeakPolarHBondContact O-CA 2.98Å; A147-T226 PolarHBondContact O-N 3.49Å; A147-L308 HydrophobicContact CB-CD1 4.48Å; A147-L308 HydrophobicContact CB-CD2 3.79Å |
| 148 | F | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 30.7 | -170.9 | -62.6 | -58 | 0 | 0 | 0 | 113.9 | H144 T146 G150 T151 L153 A154 C223 F225 Y303 T306 L308 | H144-F148 AromaticContact CD2-CE2 3.91Å; H144-F148 WeakPolarHBondContact O-CB 3.41Å; H144-F148 PolarHBondContact O-N 3Å; T146-F148 VanDerWaalsContact C-N 3.3Å; T146-F148 PolarHBondContact O-N 3.14Å; F148-G150 PolarHBondContact O-N 3.04Å; F148-T151 WeakPolarHBondContact CB-OG1 3.49Å; F148-T151 WeakPolarHBondContact O-CB 3.19Å; F148-T151 WeakPolarHBondContact O-CG2 3.26Å; F148-T151 PolarHBondContact O-N 3.48Å; F148-T151 PolarHBondContact O-OG1 3.22Å; F148-L153 HydrophobicContact CB-CB 3.95Å; F148-L153 HydrophobicContact CD2-CB 3.78Å; F148-L153 HydrophobicContact CD2-CD1 4.48Å; F148-L153 HydrophobicContact CE1-CD1 4.47Å; F148-L153 HydrophobicContact CE2-CB 4.4Å; F148-L153 HydrophobicContact CE2-CD1 4.37Å; F148-L153 HydrophobicContact CG-CB 3.87Å; F148-L153 HydrophobicContact CZ-CD1 4.36Å; F148-A154 HydrophobicContact CB-CB 4.1Å; F148-A154 VanDerWaalsContact O-CB 3.27Å; F148-A154 WeakPolarHBondContact O-CB 3.02Å; F148-C223 WeakPolarHBondContact CD1-SG 3.18Å; F148-C223 VanDerWaalsContact CE1-SG 3.57Å; F148-F225 HydrophobicContact CE1-CD2 4.32Å; F148-Y303 HydrophobicContact CE2-CE2 4.25Å; F148-T306 HydrophobicContact CE1-CG2 3.78Å; F148-T306 HydrophobicContact CZ-CG2 3.86Å; F148-L308 HydrophobicContact CE2-CD1 3.75Å; F148-L308 HydrophobicContact CE2-CD2 3.88Å; F148-L308 HydrophobicContact CE2-CG 3.71Å; F148-L308 HydrophobicContact CZ-CD1 4.38Å; F148-L308 HydrophobicContact CZ-CD2 3.73Å; F148-L308 HydrophobicContact CZ-CG 3.83Å |
| 149 | Q | 94.3 | Very high | 95.8 | Very high | 84 Ų | 84 | 29.9 Ų | 29.9 | 39% | 0.393 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43.6 | 126.3 | -177 | -75 | 173.3 | 39.8 | 0 | 0 | 114.1 | S145 T146 T151 S228 | S145-Q149 WeakPolarHBondContact O-CG 3.29Å; T146-Q149 WeakPolarHBondContact O-CG 3Å; T146-Q149 PolarHBondContact O-NE2 3.37Å; Q149-T151 VanDerWaalsContact C-N 3.26Å; Q149-T151 PolarHBondContact O-N 3.07Å; Q149-S228 VanDerWaalsContact NE2-CB 3.32Å; Q149-S228 PolarHBondContact NE2-OG 2.99Å; Q149-S228 VanDerWaalsContact NE2-OG 3.12Å |
| 150 | G | 91.2 | Very high | 95.8 | Very high | 86 Ų | 86 | 30.9 Ų | 30.9 | 89% | 0.887 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 9.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F148 | F148-G150 PolarHBondContact O-N 3.04Š|
| 151 | T | 94.4 | Very high | 95.7 | Very high | 18 Ų | 18 | 31 Ų | 31 | 11% | 0.11 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -116.7 | 166.8 | 175.6 | 81.8 | 0 | 0 | 0 | 0 | 111.1 | F148 Q149 L153 A154 R224 | F148-T151 WeakPolarHBondContact CB-OG1 3.49Å; F148-T151 WeakPolarHBondContact O-CB 3.19Å; F148-T151 WeakPolarHBondContact O-CG2 3.26Å; F148-T151 PolarHBondContact O-N 3.48Å; F148-T151 PolarHBondContact O-OG1 3.22Å; Q149-T151 VanDerWaalsContact C-N 3.26Å; Q149-T151 PolarHBondContact O-N 3.07Å; T151-L153 VanDerWaalsContact C-N 3.27Å; T151-L153 PolarHBondContact O-N 3.14Å; T151-A154 PolarHBondContact O-N 3.47Å; T151-R224 HydrophobicContact CG2-CB 4.44Å |
| 152 | S | 94.2 | Very high | 95.8 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -69.2 | -20.6 | -177.5 | 58.3 | 0 | 0 | 0 | 0 | 115.1 | R36 A154 R155 | R36-S152 VanDerWaalsContact CG-OG 3.22Å; R36-S152 WeakPolarHBondContact CG-OG 3.49Å; R36-S152 WeakPolarHBondContact O-CB 3.45Å; R36-S152 PolarHBondContact O-OG 2.74Å; S152-A154 VanDerWaalsContact C-N 3.29Å; S152-A154 PolarHBondContact O-N 2.92Å; S152-R155 VanDerWaalsContact CA-NH1 3.31Å; S152-R155 PolarHBondContact O-N 3.37Å |
| 153 | L | 95 | Very high | 95.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -72.9 | -20.7 | 176.5 | -82.6 | 175.3 | 0 | 0 | 0 | 113.5 | R36 R82 F148 T151 R155 C223 Y303 T306 | R36-L153 HydrophobicContact CB-CD2 4.39Å; R36-L153 HydrophobicContact CG-CD2 3.93Å; R36-L153 HydrophobicContact CG-CG 4.08Å; R82-L153 HydrophobicContact CB-CD2 4.18Å; R82-L153 PolarHBondContact NE-O 2.97Å; R82-L153 VanDerWaalsContact NE-O 3.12Å; F148-L153 HydrophobicContact CB-CB 3.95Å; F148-L153 HydrophobicContact CD2-CB 3.78Å; F148-L153 HydrophobicContact CD2-CD1 4.48Å; F148-L153 HydrophobicContact CE1-CD1 4.47Å; F148-L153 HydrophobicContact CE2-CB 4.4Å; F148-L153 HydrophobicContact CE2-CD1 4.37Å; F148-L153 HydrophobicContact CG-CB 3.87Å; F148-L153 HydrophobicContact CZ-CD1 4.36Å; T151-L153 VanDerWaalsContact C-N 3.27Å; T151-L153 PolarHBondContact O-N 3.14Å; L153-R155 PolarHBondContact O-N 3.05Å; L153-C223 HydrophobicContact CD1-CB 4.46Å; L153-Y303 HydrophobicContact CD1-CD2 3.92Å; L153-Y303 HydrophobicContact CD1-CE2 4.44Å; L153-Y303 HydrophobicContact CD1-CG 4.24Å; L153-Y303 HydrophobicContact CD2-CD1 4.04Å; L153-Y303 HydrophobicContact CD2-CD2 4.09Å; L153-Y303 HydrophobicContact CD2-CE1 4.08Å; L153-Y303 HydrophobicContact CD2-CE2 4.13Å; L153-Y303 HydrophobicContact CD2-CG 4.04Å; L153-T306 HydrophobicContact CD1-CG2 3.49Å; L153-T306 VanDerWaalsContact CD1-CG2 3.49Å |
| 154 | A | 95.7 | Very high | 95.8 | Very high | 19 Ų | 19 | 31.3 Ų | 31.3 | 16% | 0.157 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -71.9 | -12.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | H144 F148 T151 S152 | H144-A154 WeakPolarHBondContact O-CA 3.39Å; F148-A154 HydrophobicContact CB-CB 4.1Å; F148-A154 VanDerWaalsContact O-CB 3.27Å; F148-A154 WeakPolarHBondContact O-CB 3.02Å; T151-A154 PolarHBondContact O-N 3.47Å; S152-A154 VanDerWaalsContact C-N 3.29Å; S152-A154 PolarHBondContact O-N 2.92Å |
| 155 | R | 95.7 | Very high | 95.8 | Very high | 39 Ų | 39 | 37.2 Ų | 37.2 | 15% | 0.147 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -71.4 | 142.3 | -179.2 | -64.6 | -173 | -171.2 | 113.5 | 5.8 | 111.1 | E38 E40 R82 S152 L153 | E38-R155 PolarHBondContact O-NH1 3.05Å; E40-R155 IonicContact OE1-CZ 2.93Å; E40-R155 IonicContact OE1-NE 2.82Å; E40-R155 PolarHBondContact OE1-NE 3.18Å; E40-R155 IonicContact OE1-NH2 2.68Å; E40-R155 PolarHBondContact OE1-NH2 3.46Å; R82-R155 PolarHBondContact NE-O 3.12Å; R82-R155 PolarHBondContact NH2-O 2.94Å; R82-R155 VanDerWaalsContact NH2-O 3.11Å; S152-R155 VanDerWaalsContact CA-NH1 3.31Å; S152-R155 PolarHBondContact O-N 3.37Å; L153-R155 PolarHBondContact O-N 3.05Å |
| 156 | T | 96.3 | Very high | 95.8 | Very high | 28 Ų | 28 | 38.2 Ų | 38.2 | 17% | 0.172 | 22% | 0.224 | C | C | . | . | trans | -71.6 | 154.6 | 174.6 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | S35 N43 D141 G159 | S35-T156 WeakPolarHBondContact CB-O 3.14Å; N43-T156 PolarHBondContact ND2-O 3.09Å; N43-T156 VanDerWaalsContact OD1-CG2 3.3Å; N43-T156 WeakPolarHBondContact OD1-CG2 3.47Å; D141-T156 VanDerWaalsContact OD1-CA 3.32Å; D141-T156 WeakPolarHBondContact OD1-CA 3.31Å; D141-T156 WeakPolarHBondContact OD1-CB 3.27Å; D141-T156 PolarHBondContact OD1-OG1 3.19Å; D141-T156 WeakPolarHBondContact OD2-CB 3.46Å; D141-T156 PolarHBondContact OD2-OG1 2.61Å; T156-G159 VanDerWaalsContact CG2-CA 3.45Å | ||
| 157 | I | 97 | Very high | 95.9 | Very high | 34 Ų | 34 | 37.2 Ų | 37.2 | 17% | 0.174 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -74.7 | -46.3 | 179.2 | -65.8 | 167.1 | 0 | 0 | 0 | 110.5 | H47 T80 R82 G159 | H47-I157 HydrophobicContact CB-CG2 4.5Å; H47-I157 WeakPolarHBondContact CB-O 3.37Å; T80-I157 HydrophobicContact CG2-CG2 4.16Å; R82-I157 HydrophobicContact CG-CD1 4.48Å; R82-I157 HydrophobicContact CG-CG1 4.15Å; I157-G159 VanDerWaalsContact C-N 3.31Å; I157-G159 PolarHBondContact O-N 3.44Å |
| 158 | L | 96 | Very high | 95.8 | Very high | 26 Ų | 26 | 43.8 Ų | 43.8 | 14% | 0.136 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -70 | -29.1 | -178 | -80.6 | 72.7 | 0 | 0 | 0 | 112.5 | G44 M128 V131 | G44-L158 VanDerWaalsContact CA-O 3.27Å; G44-L158 WeakPolarHBondContact CA-O 3.44Å; M128-L158 HydrophobicContact CB-CD2 3.9Å; M128-L158 HydrophobicContact CG-CD2 4.25Å; V131-L158 HydrophobicContact CB-CD2 4.35Å; V131-L158 HydrophobicContact CG2-CD2 4.11Å |
| 159 | G | 96.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | trans | 89.4 | 155.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N43 T156 I157 I164 | N43-G159 WeakPolarHBondContact O-CA 3.23Å; T156-G159 VanDerWaalsContact CG2-CA 3.45Å; I157-G159 VanDerWaalsContact C-N 3.31Å; I157-G159 PolarHBondContact O-N 3.44Å; G159-I164 WeakPolarHBondContact O-CD1 3.14Å | ||
| 160 | P | 95.8 | Very high | 95.9 | Very high | 43 Ų | 43 | 50.3 Ų | 50.3 | 28% | 0.279 | 28% | 0.276 | S | S | . | . | trans | -68.1 | 154 | 175.3 | 29.1 | -35 | 0 | 0 | 0 | 110.8 | N43 E162 N163 I164 | N43-P160 VanDerWaalsContact OD1-CD 3.26Å; N43-P160 WeakPolarHBondContact OD1-CD 3.18Å; P160-E162 PolarHBondContact O-N 2.89Å; P160-E162 VanDerWaalsContact O-N 3.14Å; P160-N163 HydrophobicContact CG-CB 3.78Å; P160-N163 VanDerWaalsContact CG-CG 3.48Å; P160-N163 PolarHBondContact O-N 3.37Å; P160-I164 PolarHBondContact O-N 3.3Å | ||
| 161 | T | 96.5 | Very high | 96.2 | Very high | 37 Ų | 37 | 48.8 Ų | 48.8 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -53.4 | -38.5 | -178.7 | -66.1 | 0 | 0 | 0 | 0 | 112.5 | L125 M128 N163 I164 K165 | L125-T161 HydrophobicContact CD2-CG2 4.11Å; M128-T161 WeakPolarHBondContact CE-OG1 3.43Å; M128-T161 PolarHBondContact SD-OG1 3.1Å; M128-T161 VanDerWaalsContact SD-OG1 3.36Å; T161-N163 VanDerWaalsContact C-N 3.35Å; T161-I164 PolarHBondContact O-N 2.97Å; T161-K165 HydrophobicContact CG2-CD 3.97Å; T161-K165 VanDerWaalsContact CG2-CE 3.45Å; T161-K165 WeakPolarHBondContact O-CB 3.31Å; T161-K165 VanDerWaalsContact O-CG 3.27Å; T161-K165 WeakPolarHBondContact O-CG 3.4Å; T161-K165 PolarHBondContact O-N 2.99Å |
| 162 | E | 97.2 | Very high | 96.3 | Very high | 130 Ų | 130 | 47.9 Ų | 47.9 | 61% | 0.607 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -64.6 | -39.2 | 179.1 | -62.7 | 72.4 | -157.4 | 0 | 0 | 111.8 | P160 K165 S166 | P160-E162 PolarHBondContact O-N 2.89Å; P160-E162 VanDerWaalsContact O-N 3.14Å; E162-K165 PolarHBondContact O-N 3.4Å; E162-S166 WeakPolarHBondContact O-CB 3.14Å; E162-S166 PolarHBondContact O-N 3.5Å; E162-S166 PolarHBondContact O-OG 2.96Å |
| 163 | N | 97.5 | Very high | 96.3 | Very high | 22 Ų | 22 | 50 Ų | 50 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72 | -46.7 | 176.5 | -71.6 | 10.8 | 0 | 0 | 0 | 110.2 | E40 N43 P160 T161 K165 S166 I167 | E40-N163 PolarHBondContact O-ND2 3.43Å; N43-N163 PolarHBondContact N-ND2 2.7Å; N43-N163 VanDerWaalsContact O-CB 3.22Å; N43-N163 WeakPolarHBondContact O-CB 3.32Å; N43-N163 PolarHBondContact O-ND2 3.45Å; N43-N163 VanDerWaalsContact O-ND2 3.15Å; P160-N163 HydrophobicContact CG-CB 3.78Å; P160-N163 VanDerWaalsContact CG-CG 3.48Å; P160-N163 PolarHBondContact O-N 3.37Å; T161-N163 VanDerWaalsContact C-N 3.35Å; N163-K165 PolarHBondContact O-N 2.94Å; N163-K165 VanDerWaalsContact O-N 3.12Å; N163-S166 WeakPolarHBondContact CA-OG 3.05Å; N163-S166 CarbonylContact O-C 3.55Å; N163-S166 PolarHBondContact O-N 3.49Å; N163-S166 PolarHBondContact O-OG 3.25Å; N163-I167 VanDerWaalsContact O-CG1 3.25Å; N163-I167 WeakPolarHBondContact O-CG1 3.4Å; N163-I167 PolarHBondContact O-N 3.49Å |
| 164 | I | 96.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.4 | -36.1 | 174.9 | -62.9 | 164.4 | 0 | 0 | 0 | 110.3 | F48 R121 I124 L125 M128 G159 P160 T161 | F48-I164 HydrophobicContact CE2-CG2 4.47Å; R121-I164 HydrophobicContact CG-CG2 4.27Å; R121-I164 WeakPolarHBondContact CG-O 3.46Å; R121-I164 PolarHBondContact NH1-O 2.76Å; I124-I164 HydrophobicContact CB-CG2 4.37Å; I124-I164 HydrophobicContact CG2-CD1 4.03Å; I124-I164 HydrophobicContact CG2-CG1 4.29Å; I124-I164 HydrophobicContact CG2-CG2 3.97Å; L125-I164 HydrophobicContact CD2-CB 4.24Å; L125-I164 HydrophobicContact CD2-CD1 4.45Å; L125-I164 HydrophobicContact CD2-CG2 3.82Å; L125-I164 HydrophobicContact CG-CG2 3.87Å; M128-I164 HydrophobicContact SD-CD1 3.93Å; G159-I164 WeakPolarHBondContact O-CD1 3.14Å; P160-I164 PolarHBondContact O-N 3.3Å; T161-I164 PolarHBondContact O-N 2.97Å |
| 165 | K | 96.6 | Very high | 96.3 | Very high | 129 Ų | 129 | 51.6 Ų | 51.6 | 56% | 0.561 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -74.3 | -22.5 | 176.3 | -74.6 | 171.1 | -177.6 | 169.6 | 0 | 114.9 | L125 T161 E162 N163 | L125-K165 HydrophobicContact CD1-CG 4.45Å; T161-K165 HydrophobicContact CG2-CD 3.97Å; T161-K165 VanDerWaalsContact CG2-CE 3.45Å; T161-K165 WeakPolarHBondContact O-CB 3.31Å; T161-K165 VanDerWaalsContact O-CG 3.27Å; T161-K165 WeakPolarHBondContact O-CG 3.4Å; T161-K165 PolarHBondContact O-N 2.99Å; E162-K165 PolarHBondContact O-N 3.4Å; N163-K165 PolarHBondContact O-N 2.94Å; N163-K165 VanDerWaalsContact O-N 3.12Å |
| 166 | S | 96.3 | Very high | 96.3 | Very high | 64 Ų | 64 | 50.9 Ų | 50.9 | 45% | 0.448 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -111.4 | -17.3 | -171 | 59.5 | 0 | 0 | 0 | 0 | 115.1 | E162 N163 K168 | E162-S166 WeakPolarHBondContact O-CB 3.14Å; E162-S166 PolarHBondContact O-N 3.5Å; E162-S166 PolarHBondContact O-OG 2.96Å; N163-S166 WeakPolarHBondContact CA-OG 3.05Å; N163-S166 CarbonylContact O-C 3.55Å; N163-S166 PolarHBondContact O-N 3.49Å; N163-S166 PolarHBondContact O-OG 3.25Å; S166-K168 VanDerWaalsContact O-CG 3.32Å; S166-K168 WeakPolarHBondContact O-CG 3.12Å; S166-K168 PolarHBondContact O-N 2.95Å |
| 167 | I | 97.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | trans | -53.2 | 130.4 | 176.7 | -76.6 | 161.7 | 0 | 0 | 0 | 110.7 | F48 R121 N163 L172 | F48-I167 HydrophobicContact CD2-CB 4.3Å; F48-I167 HydrophobicContact CD2-CD1 4.07Å; F48-I167 HydrophobicContact CD2-CG2 4.04Å; F48-I167 HydrophobicContact CE2-CG2 4.41Å; F48-I167 HydrophobicContact CG-CG2 4.22Å; R121-I167 PolarHBondContact NH1-O 2.88Å; R121-I167 VanDerWaalsContact NH1-O 3.13Å; R121-I167 PolarHBondContact NH2-O 2.87Å; N163-I167 VanDerWaalsContact O-CG1 3.25Å; N163-I167 WeakPolarHBondContact O-CG1 3.4Å; N163-I167 PolarHBondContact O-N 3.49Å; I167-L172 HydrophobicContact CG2-CD2 4.38Å; I167-L172 HydrophobicContact CG2-CG 4.42Å | ||
| 168 | K | 95.5 | Very high | 95.9 | Very high | 141 Ų | 141 | 60.8 Ų | 60.8 | 61% | 0.613 | 30% | 0.296 | S | S | * | . | trans | -117 | 167.4 | -179.6 | -56.2 | -175 | -177.2 | 174.2 | 0 | 111.5 | S166 D170 D171 L172 | S166-K168 VanDerWaalsContact O-CG 3.32Å; S166-K168 WeakPolarHBondContact O-CG 3.12Å; S166-K168 PolarHBondContact O-N 2.95Å; K168-D170 PolarHBondContact O-N 2.77Å; K168-D171 WeakPolarHBondContact CB-OD2 3.43Å; K168-D171 PolarHBondContact N-OD2 3.22Å; K168-D171 WeakPolarHBondContact O-CB 3.43Å; K168-D171 PolarHBondContact O-N 3.17Å; K168-D171 VanDerWaalsContact O-N 3.07Å; K168-L172 PolarHBondContact O-N 3.38Å | ||
| 169 | R | 96 | Very high | 95.8 | Very high | 104 Ų | 104 | 59.8 Ų | 59.8 | 39% | 0.392 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -51.8 | -41.7 | 174.2 | -175 | 176.5 | -176.1 | -96.6 | -2.1 | 113.3 | T111 Y112 I117 D171 L172 I173 | T111-R169 PolarHBondContact O-NE 2.86Å; T111-R169 PolarHBondContact O-NH2 3.4Å; Y112-R169 WeakPolarHBondContact O-CD 3.17Å; Y112-R169 WeakPolarHBondContact O-CG 3.34Å; Y112-R169 PolarHBondContact O-NE 3.36Å; Y112-R169 VanDerWaalsContact O-NE 3.09Å; I117-R169 HydrophobicContact CD1-CB 3.67Å; I117-R169 HydrophobicContact CD1-CG 4.17Å; R169-D171 VanDerWaalsContact C-N 3.28Å; R169-D171 PolarHBondContact O-N 2.93Å; R169-L172 PolarHBondContact O-N 2.94Å; R169-I173 HydrophobicContact CG-CD1 3.82Å; R169-I173 HydrophobicContact CG-CG1 4.42Å; R169-I173 WeakPolarHBondContact O-CG1 3.38Å; R169-I173 PolarHBondContact O-N 2.94Å |
| 170 | D | 97 | Very high | 95.7 | Very high | 118 Ų | 118 | 59.9 Ų | 59.9 | 63% | 0.631 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -67.2 | -30.7 | -178.1 | -66.9 | -18.1 | 0 | 0 | 0 | 112.2 | K168 S174 | K168-D170 PolarHBondContact O-N 2.77Å; D170-S174 VanDerWaalsContact O-CB 3.26Å; D170-S174 WeakPolarHBondContact O-CB 3.34Å; D170-S174 PolarHBondContact O-N 2.94Å |
| 171 | D | 96.7 | Very high | 95.6 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 28% | 0.283 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.2 | -45.2 | 175.5 | -54.4 | -53.7 | 0 | 0 | 0 | 110.4 | V45 K168 R169 S174 Y175 | V45-D171 HydrophobicContact CG2-CB 4.31Å; K168-D171 WeakPolarHBondContact CB-OD2 3.43Å; K168-D171 PolarHBondContact N-OD2 3.22Å; K168-D171 WeakPolarHBondContact O-CB 3.43Å; K168-D171 PolarHBondContact O-N 3.17Å; K168-D171 VanDerWaalsContact O-N 3.07Å; R169-D171 VanDerWaalsContact C-N 3.28Å; R169-D171 PolarHBondContact O-N 2.93Å; D171-S174 PolarHBondContact O-N 3.04Å; D171-Y175 WeakPolarHBondContact O-CB 3.41Å; D171-Y175 PolarHBondContact O-N 2.89Å |
| 172 | L | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.7 | -49.4 | 175.3 | -61.6 | 172.2 | 0 | 0 | 0 | 111.3 | V45 F48 L49 M52 Y112 I117 I167 K168 R169 S174 Y175 V176 | V45-L172 HydrophobicContact CG2-CD2 3.7Å; V45-L172 HydrophobicContact CG2-CG 4.41Å; F48-L172 HydrophobicContact CB-CD2 4.15Å; F48-L172 HydrophobicContact CD1-CD1 4.45Å; F48-L172 HydrophobicContact CD1-CD2 4.29Å; F48-L172 HydrophobicContact CG-CD2 4.47Å; L49-L172 HydrophobicContact CB-CD2 4.03Å; L49-L172 HydrophobicContact CD1-CB 4.46Å; L49-L172 HydrophobicContact CD1-CD2 4.41Å; M52-L172 HydrophobicContact CG-CD1 4.07Å; Y112-L172 HydrophobicContact CD1-CD1 4.42Å; I117-L172 HydrophobicContact CD1-CD1 3.81Å; I117-L172 HydrophobicContact CG1-CD1 4.06Å; I167-L172 HydrophobicContact CG2-CD2 4.38Å; I167-L172 HydrophobicContact CG2-CG 4.42Å; K168-L172 PolarHBondContact O-N 3.38Å; R169-L172 PolarHBondContact O-N 2.94Å; L172-S174 VanDerWaalsContact C-N 3.33Å; L172-S174 PolarHBondContact O-N 3.27Å; L172-Y175 PolarHBondContact O-N 3.48Å; L172-V176 WeakPolarHBondContact O-CG2 3.5Å; L172-V176 PolarHBondContact O-N 3.35Å |
| 173 | I | 95.8 | Very high | 95.4 | Very high | 58 Ų | 58 | 51.7 Ų | 51.7 | 30% | 0.297 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.9 | -41.2 | 179.4 | -69.2 | 171.9 | 0 | 0 | 0 | 111 | Y112 R169 Y175 R177 | Y112-I173 HydrophobicContact CD2-CG1 3.94Å; R169-I173 HydrophobicContact CG-CD1 3.82Å; R169-I173 HydrophobicContact CG-CG1 4.42Å; R169-I173 WeakPolarHBondContact O-CG1 3.38Å; R169-I173 PolarHBondContact O-N 2.94Å; I173-Y175 VanDerWaalsContact C-N 3.34Å; I173-R177 VanDerWaalsContact O-CB 3.31Å; I173-R177 WeakPolarHBondContact O-CB 3.48Å; I173-R177 PolarHBondContact O-N 3.09Å |
| 174 | S | 95.4 | Very high | 95.2 | Very high | 42 Ų | 42 | 50.8 Ų | 50.8 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.2 | -43.3 | 177.6 | -167.6 | 0 | 0 | 0 | 0 | 111.1 | D170 D171 L172 R177 E178 | D170-S174 VanDerWaalsContact O-CB 3.26Å; D170-S174 WeakPolarHBondContact O-CB 3.34Å; D170-S174 PolarHBondContact O-N 2.94Å; D171-S174 PolarHBondContact O-N 3.04Å; L172-S174 VanDerWaalsContact C-N 3.33Å; L172-S174 PolarHBondContact O-N 3.27Å; S174-R177 PolarHBondContact O-N 2.86Å; S174-E178 WeakPolarHBondContact O-CB 3.15Å; S174-E178 PolarHBondContact O-N 3.35Å |
| 175 | Y | 95.2 | Very high | 95.2 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 4% | 0.039 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.5 | -46.8 | 178.1 | -169.8 | -90.7 | 0 | 0 | 0 | 112.1 | A33 G34 E38 V45 A46 L49 D171 L172 I173 R177 E178 H179 Y180 | A33-Y175 HydrophobicContact CB-CE1 4.36Å; G34-Y175 PolarHBondContact N-OH 3.34Å; G34-Y175 PolarHBondContact O-OH 3.48Å; E38-Y175 HydrophobicContact CG-CE2 3.79Å; V45-Y175 HydrophobicContact CG1-CD2 3.32Å; V45-Y175 HydrophobicContact CG1-CE2 3.79Å; V45-Y175 HydrophobicContact CG1-CG 3.74Å; V45-Y175 HydrophobicContact CG2-CG 4.45Å; A46-Y175 HydrophobicContact CB-CE1 3.95Å; A46-Y175 HydrophobicContact CB-CE2 4.49Å; L49-Y175 HydrophobicContact CD2-CD1 3.87Å; L49-Y175 HydrophobicContact CD2-CE1 4.37Å; D171-Y175 WeakPolarHBondContact O-CB 3.41Å; D171-Y175 PolarHBondContact O-N 2.89Å; L172-Y175 PolarHBondContact O-N 3.48Å; I173-Y175 VanDerWaalsContact C-N 3.34Å; Y175-R177 PolarHBondContact O-N 3.28Å; Y175-E178 PolarHBondContact O-N 2.98Å; Y175-H179 AromaticContact CD2-CD2 3.38Å; Y175-H179 WeakPolarHBondContact CD2-CD2 3.38Å; Y175-H179 AromaticContact CD2-NE2 3.84Å; Y175-H179 HydrophobicContact CE1-CB 4.38Å; Y175-H179 AromaticContact CE1-CD2 3.98Å; Y175-H179 AromaticContact CE2-CD2 3.29Å; Y175-H179 WeakPolarHBondContact CE2-CD2 3.34Å; Y175-H179 AromaticContact CE2-NE2 3.75Å; Y175-H179 AromaticContact CG-CD2 3.78Å; Y175-H179 AromaticContact CZ-CD2 3.61Å; Y175-H179 PolarHBondContact O-CD2 3.37Å; Y175-H179 PolarHBondContact O-N 3.45Å; Y175-Y180 HydrophobicContact CD1-CE2 4.32Å; Y175-Y180 HydrophobicContact CE1-CE2 4.07Å |
| 176 | V | 94.8 | Very high | 95.3 | Very high | 25 Ų | 25 | 44.6 Ų | 44.6 | 15% | 0.152 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58 | -49.9 | 174.4 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | L49 Y112 L172 E178 H179 Y180 | L49-V176 HydrophobicContact CD1-CG2 3.57Å; L49-V176 HydrophobicContact CD2-CG2 3.53Å; L49-V176 HydrophobicContact CG-CG2 4.21Å; Y112-V176 HydrophobicContact CE2-CG2 4.29Å; L172-V176 WeakPolarHBondContact O-CG2 3.5Å; L172-V176 PolarHBondContact O-N 3.35Å; V176-E178 PolarHBondContact O-N 2.86Å; V176-H179 PolarHBondContact O-N 2.9Å; V176-Y180 HydrophobicContact CG1-CG 4.27Å; V176-Y180 WeakPolarHBondContact O-CA 3.5Å; V176-Y180 VanDerWaalsContact O-CB 3.27Å; V176-Y180 WeakPolarHBondContact O-CB 3.47Å; V176-Y180 PolarHBondContact O-N 3.12Å |
| 177 | R | 93.1 | Very high | 95.4 | Very high | 179 Ų | 179 | 41.6 Ų | 41.6 | 68% | 0.675 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -59.3 | -34.6 | -178.8 | -175.3 | -176.6 | 65.2 | -170.6 | -4.5 | 112.7 | I173 S174 Y175 | I173-R177 VanDerWaalsContact O-CB 3.31Å; I173-R177 WeakPolarHBondContact O-CB 3.48Å; I173-R177 PolarHBondContact O-N 3.09Å; S174-R177 PolarHBondContact O-N 2.86Å; Y175-R177 PolarHBondContact O-N 3.28Å |
| 178 | E | 92.1 | Very high | 95.4 | Very high | 90 Ų | 90 | 41.5 Ų | 41.5 | 42% | 0.421 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -85.4 | -35.9 | -176 | -168.3 | 171 | 165.5 | 0 | 0 | 113.4 | S174 Y175 V176 P218 | S174-E178 WeakPolarHBondContact O-CB 3.15Å; S174-E178 PolarHBondContact O-N 3.35Å; Y175-E178 PolarHBondContact O-N 2.98Å; V176-E178 PolarHBondContact O-N 2.86Å; E178-P218 HydrophobicContact CG-CG 4.5Å |
| 179 | H | 93.3 | Very high | 95.6 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 3% | 0.028 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -114.9 | -23.8 | -169.5 | -55.4 | -54.5 | 0 | 0 | 0 | 114.6 | A33 Y37 Y175 V176 L181 R184 | A33-H179 HydrophobicContact CB-CB 3.89Å; Y37-H179 PolarHBondContact O-NE2 2.9Å; Y175-H179 AromaticContact CD2-CD2 3.38Å; Y175-H179 WeakPolarHBondContact CD2-CD2 3.38Å; Y175-H179 AromaticContact CD2-NE2 3.84Å; Y175-H179 HydrophobicContact CE1-CB 4.38Å; Y175-H179 AromaticContact CE1-CD2 3.98Å; Y175-H179 AromaticContact CE2-CD2 3.29Å; Y175-H179 WeakPolarHBondContact CE2-CD2 3.34Å; Y175-H179 AromaticContact CE2-NE2 3.75Å; Y175-H179 AromaticContact CG-CD2 3.78Å; Y175-H179 AromaticContact CZ-CD2 3.61Å; Y175-H179 PolarHBondContact O-CD2 3.37Å; Y175-H179 PolarHBondContact O-N 3.45Å; V176-H179 PolarHBondContact O-N 2.9Å; H179-L181 VanDerWaalsContact C-N 3.26Å; H179-L181 PolarHBondContact O-N 3.47Å; H179-R184 PolarHBondContact ND1-NH1 2.92Å; H179-R184 WeakPolarHBondContact O-CD 3.41Å |
| 180 | Y | 94.5 | Very high | 95.6 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 2% | 0.02 | 15% | 0.147 | C | C | . | . | trans | -88.6 | 67.6 | -178.4 | -77.9 | -135 | 0 | 0 | 0 | 110.2 | I31 A33 L49 T85 Y87 L107 Y175 V176 M185 P210 | I31-Y180 HydrophobicContact CD1-CD1 3.75Å; I31-Y180 HydrophobicContact CD1-CE1 3.31Å; I31-Y180 HydrophobicContact CD1-CE2 4.16Å; I31-Y180 HydrophobicContact CD1-CG 4.34Å; I31-Y180 HydrophobicContact CG2-CD2 4.31Å; I31-Y180 HydrophobicContact CG2-CE2 4.36Å; A33-Y180 HydrophobicContact CB-CE2 4.2Å; L49-Y180 HydrophobicContact CD2-CD2 4.37Å; L49-Y180 HydrophobicContact CD2-CE1 4.09Å; L49-Y180 HydrophobicContact CD2-CE2 3.59Å; L49-Y180 VanDerWaalsContact CD2-CZ 3.42Å; L49-Y180 WeakPolarHBondContact CD2-OH 2.99Å; T85-Y180 WeakPolarHBondContact CG2-OH 3.48Å; Y87-Y180 HydrophobicContact CE2-CE1 4.06Å; Y87-Y180 PolarHBondContact OH-OH 2.89Å; L107-Y180 HydrophobicContact CD2-CD1 3.91Å; L107-Y180 HydrophobicContact CD2-CE1 3.73Å; Y175-Y180 HydrophobicContact CD1-CE2 4.32Å; Y175-Y180 HydrophobicContact CE1-CE2 4.07Å; V176-Y180 HydrophobicContact CG1-CG 4.27Å; V176-Y180 WeakPolarHBondContact O-CA 3.5Å; V176-Y180 VanDerWaalsContact O-CB 3.27Å; V176-Y180 WeakPolarHBondContact O-CB 3.47Å; V176-Y180 PolarHBondContact O-N 3.12Å; Y180-M185 VanDerWaalsContact C-CE 3.44Å; Y180-M185 VanDerWaalsContact CA-CE 3.45Å; Y180-M185 HydrophobicContact CD1-CE 3.9Å; Y180-M185 HydrophobicContact CG-CE 3.9Å; Y180-P210 WeakPolarHBondContact O-CG 3.48Å | ||
| 181 | L | 94.4 | Very high | 95.6 | Very high | 11 Ų | 11 | 24.4 Ų | 24.4 | 6% | 0.058 | 12% | 0.118 | C | C | . | . | trans | -112.3 | 141.3 | -178.1 | -58.6 | 172.7 | 0 | 0 | 0 | 110.8 | H179 P183 R184 M185 P210 T212 F217 | H179-L181 VanDerWaalsContact C-N 3.26Å; H179-L181 PolarHBondContact O-N 3.47Å; L181-P183 VanDerWaalsContact C-CD 3.45Å; L181-P183 VanDerWaalsContact O-N 3.16Å; L181-R184 WeakPolarHBondContact O-CA 3.42Å; L181-R184 WeakPolarHBondContact O-CB 3.47Å; L181-R184 PolarHBondContact O-N 3.41Å; L181-M185 PolarHBondContact O-N 3.39Å; L181-P210 CarbonylContact C-O 3.32Å; L181-P210 WeakPolarHBondContact CA-O 3.27Å; L181-P210 HydrophobicContact CD2-CB 4.06Å; L181-P210 HydrophobicContact CD2-CG 4.12Å; L181-T212 HydrophobicContact CD1-CG2 3.57Å; L181-T212 HydrophobicContact CD2-CG2 4.42Å; L181-F217 HydrophobicContact CB-CE1 4.35Å; L181-F217 HydrophobicContact CD1-CD1 4.16Å; L181-F217 HydrophobicContact CD1-CE1 3.82Å | ||
| 182 | A | 95.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -47.6 | -46.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N11 L13 R184 M185 L209 P210 | N11-A182 HydrophobicContact CB-CB 4.09Å; N11-A182 WeakPolarHBondContact O-CB 3.3Å; L13-A182 VanDerWaalsContact CA-O 3.31Å; L13-A182 WeakPolarHBondContact CA-O 3.22Å; L13-A182 HydrophobicContact CB-CB 4.18Å; A182-R184 PolarHBondContact O-N 3.37Å; A182-M185 WeakPolarHBondContact O-CB 3.27Å; A182-M185 PolarHBondContact O-N 3.15Å; A182-L209 HydrophobicContact CB-CB 3.8Å; A182-L209 HydrophobicContact CB-CD1 4.49Å; A182-P210 PolarHBondContact N-O 2.61Å |
| 183 | P | 93.8 | Very high | 95.5 | Very high | 27 Ų | 27 | 22.5 Ų | 22.5 | 18% | 0.175 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -72.3 | -14.6 | -178.4 | -2.6 | 17.2 | 0 | 0 | 0 | 114.6 | G12 R14 L181 M185 F217 | G12-P183 WeakPolarHBondContact O-CA 3Å; R14-P183 PolarHBondContact NH2-O 2.66Å; L181-P183 VanDerWaalsContact C-CD 3.45Å; L181-P183 VanDerWaalsContact O-N 3.16Å; P183-M185 VanDerWaalsContact C-N 3.29Å; P183-F217 HydrophobicContact CB-CE2 4.47Å; P183-F217 HydrophobicContact CB-CZ 3.85Å; P183-F217 HydrophobicContact CG-CZ 4.06Å |
| 184 | R | 93.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -85.1 | -2.7 | 171.3 | -63 | -176.5 | 74.5 | 142.8 | 2.5 | 112.9 | D32 H179 L181 A182 F217 | D32-R184 HydrophobicContact CB-CB 4.11Å; D32-R184 WeakPolarHBondContact CB-O 3.47Å; D32-R184 PolarHBondContact N-O 3.13Å; D32-R184 PolarHBondContact O-NE 3.48Å; D32-R184 PolarHBondContact O-NH2 3.26Å; D32-R184 IonicContact OD2-NH2 3.97Å; H179-R184 PolarHBondContact ND1-NH1 2.92Å; H179-R184 WeakPolarHBondContact O-CD 3.41Å; L181-R184 WeakPolarHBondContact O-CA 3.42Å; L181-R184 WeakPolarHBondContact O-CB 3.47Å; L181-R184 PolarHBondContact O-N 3.41Å; A182-R184 PolarHBondContact O-N 3.37Å; R184-F217 VanDerWaalsContact CD-CD1 3.47Å; R184-F217 HydrophobicContact CG-CD1 3.7Å; R184-F217 HydrophobicContact CG-CD2 4.14Å; R184-F217 HydrophobicContact CG-CE1 3.38Å; R184-F217 HydrophobicContact CG-CE2 3.85Å; R184-F217 HydrophobicContact CG-CG 4.07Å; R184-F217 HydrophobicContact CG-CZ 3.46Å; R184-F217 VanDerWaalsContact CG-CZ 3.46Å |
| 185 | M | 96.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 148.6 | -175.8 | -64.2 | 179.6 | 177.7 | 0 | 0 | 111.7 | L13 R14 V29 W30 I31 Y180 L181 A182 P183 L209 | L13-M185 HydrophobicContact CD1-CB 3.55Å; R14-M185 PolarHBondContact N-O 3.22Å; V29-M185 HydrophobicContact CG1-CB 4.1Å; V29-M185 HydrophobicContact CG1-CG 4.26Å; V29-M185 HydrophobicContact CG1-SD 4.26Å; W30-M185 CarbonylContact O-C 3.58Å; W30-M185 WeakPolarHBondContact O-CA 3.46Å; I31-M185 HydrophobicContact CD1-CE 4.12Å; I31-M185 HydrophobicContact CG1-CE 4.29Å; I31-M185 HydrophobicContact CG1-CG 4.15Å; I31-M185 HydrophobicContact CG2-CE 4.21Å; I31-M185 HydrophobicContact CG2-CG 4.15Å; Y180-M185 VanDerWaalsContact C-CE 3.44Å; Y180-M185 VanDerWaalsContact CA-CE 3.45Å; Y180-M185 HydrophobicContact CD1-CE 3.9Å; Y180-M185 HydrophobicContact CG-CE 3.9Å; L181-M185 PolarHBondContact O-N 3.39Å; A182-M185 WeakPolarHBondContact O-CB 3.27Å; A182-M185 PolarHBondContact O-N 3.15Å; P183-M185 VanDerWaalsContact C-N 3.29Å; M185-L209 HydrophobicContact CE-CD2 4.36Å; M185-L209 HydrophobicContact SD-CD1 3.85Å; M185-L209 HydrophobicContact SD-CD2 3.95Å |
| 186 | V | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 116.9 | 168.9 | 179.7 | 0 | 0 | 0 | 0 | 107.9 | R14 A16 V29 W30 A188 I372 L373 | R14-V186 HydrophobicContact CB-CG2 4.13Å; R14-V186 CarbonylContact O-C 3.57Å; R14-V186 VanDerWaalsContact O-CA 3.27Å; R14-V186 WeakPolarHBondContact O-CA 3.2Å; A16-V186 HydrophobicContact CB-CG1 4.44Å; V29-V186 CarbonylContact C-O 3.52Å; V29-V186 VanDerWaalsContact CA-O 3.32Å; V29-V186 WeakPolarHBondContact CA-O 3.48Å; W30-V186 HydrophobicContact CB-CB 4.45Å; W30-V186 PolarHBondContact N-O 3Å; W30-V186 PolarHBondContact O-N 3.31Å; V186-A188 HydrophobicContact CG1-CB 4.31Å; V186-A188 PolarHBondContact O-N 3.21Å; V186-I372 HydrophobicContact CB-CG2 4.46Å; V186-I372 HydrophobicContact CG1-CB 4.16Å; V186-I372 HydrophobicContact CG1-CD1 4.13Å; V186-I372 HydrophobicContact CG1-CG2 4.07Å; V186-I372 HydrophobicContact CG2-CB 3.99Å; V186-I372 HydrophobicContact CG2-CG2 3.47Å; V186-I372 VanDerWaalsContact CG2-CG2 3.47Å; V186-L373 HydrophobicContact CB-CD2 4.46Å; V186-L373 HydrophobicContact CG2-CD2 3.52Å; V186-L373 HydrophobicContact CG2-CG 3.97Å |
| 187 | L | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 107.9 | 164 | 177 | 68.3 | 0 | 0 | 0 | 107.5 | L13 R14 V15 A16 I27 G28 V29 L198 A202 M206 | L13-L187 HydrophobicContact CD2-CB 4.48Å; R14-L187 PolarHBondContact O-N 2.96Å; V15-L187 CarbonylContact C-O 3.46Å; V15-L187 WeakPolarHBondContact CA-O 3.48Å; V15-L187 HydrophobicContact CG1-CD2 4.45Å; V15-L187 HydrophobicContact CG2-CB 4.34Å; V15-L187 HydrophobicContact CG2-CD2 4.39Å; A16-L187 PolarHBondContact N-O 3.42Å; I27-L187 HydrophobicContact CG2-CD1 3.97Å; G28-L187 CarbonylContact O-C 3.51Å; G28-L187 WeakPolarHBondContact O-CA 3.42Å; V29-L187 HydrophobicContact CG2-CD1 3.91Å; L187-L198 HydrophobicContact CD2-CD1 3.8Å; L187-L198 HydrophobicContact CD2-CG 3.98Å; L187-L198 HydrophobicContact CG-CD1 4.08Å; L187-L198 HydrophobicContact CG-CD2 4.39Å; L187-L198 HydrophobicContact CG-CG 4.34Å; L187-A202 HydrophobicContact CD2-CB 3.72Å; L187-M206 HydrophobicContact CB-SD 4.46Å; L187-M206 HydrophobicContact CD1-CE 4.1Å; L187-M206 HydrophobicContact CD1-SD 4.24Å; L187-M206 HydrophobicContact CD2-SD 4.1Å |
| 188 | A | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 146.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A16 I27 G28 W30 V186 C365 I368 | A16-A188 CarbonylContact O-C 3.56Å; A16-A188 VanDerWaalsContact O-CA 3.23Å; A16-A188 WeakPolarHBondContact O-CA 3.49Å; I27-A188 WeakPolarHBondContact CA-O 3.19Å; G28-A188 PolarHBondContact N-O 3.18Å; G28-A188 PolarHBondContact O-N 2.88Å; W30-A188 HydrophobicContact CE3-CB 3.8Å; W30-A188 HydrophobicContact CZ3-CB 3.66Å; V186-A188 HydrophobicContact CG1-CB 4.31Å; V186-A188 PolarHBondContact O-N 3.21Å; A188-C365 VanDerWaalsContact C-SG 3.59Å; A188-C365 PolarHBondContact O-SG 2.98Å; A188-C365 VanDerWaalsContact O-SG 3.41Å; A188-I368 HydrophobicContact CB-CB 4.32Å; A188-I368 HydrophobicContact CB-CG2 3.87Å |
| 189 | S | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 149.9 | 166.4 | 79.1 | 0 | 0 | 0 | 0 | 112.5 | A16 S17 E18 T26 | A16-S189 PolarHBondContact O-N 3.22Å; S17-S189 VanDerWaalsContact CA-O 3.27Å; S17-S189 WeakPolarHBondContact CA-O 3.48Å; S17-S189 WeakPolarHBondContact CB-OG 3.44Å; E18-S189 PolarHBondContact N-O 3.18Å; T26-S189 CarbonylContact O-C 3.58Å; T26-S189 VanDerWaalsContact O-CA 3.27Å; T26-S189 WeakPolarHBondContact O-CA 3.39Å |
| 190 | A | 97 | Very high | 96.7 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 139.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | E18 S25 T26 S361 I364 C365 I368 | E18-A190 WeakPolarHBondContact O-CA 3.47Å; S25-A190 CarbonylContact C-O 3.58Å; S25-A190 WeakPolarHBondContact CA-O 3.49Å; T26-A190 PolarHBondContact N-O 3.25Å; T26-A190 PolarHBondContact O-N 2.99Å; A190-S361 WeakPolarHBondContact CB-O 3.39Å; A190-S361 WeakPolarHBondContact O-CB 3.18Å; A190-I364 HydrophobicContact CB-CB 3.92Å; A190-I364 HydrophobicContact CB-CG2 3.6Å; A190-C365 HydrophobicContact CB-CB 3.96Å; A190-I368 HydrophobicContact CB-CD1 4.44Å |
| 191 | G | 95.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 130.3 | -136.2 | -177 | 0 | 0 | 0 | 0 | 0 | 111.4 | E18 D19 S20 T24 | E18-G191 PolarHBondContact O-N 3.24Å; E18-G191 VanDerWaalsContact O-N 3.1Å; D19-G191 CarbonylContact C-O 3.51Å; D19-G191 WeakPolarHBondContact CA-O 3.29Å; D19-G191 VanDerWaalsContact OD1-O 3.14Å; S20-G191 PolarHBondContact N-O 3.09Å; S20-G191 WeakPolarHBondContact OG-CA 3.31Å; S20-G191 PolarHBondContact OG-O 3.15Å; S20-G191 VanDerWaalsContact OG-O 3.07Å; T24-G191 WeakPolarHBondContact O-CA 3.33Å |
| 192 | G | 95.1 | Very high | 97.1 | Very high | 13 Ų | 13 | 19.7 Ų | 19.7 | 13% | 0.134 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -92.3 | 17.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | D19 S22 S25 T93 | D19-G192 WeakPolarHBondContact OD1-CA 3.38Å; S22-G192 VanDerWaalsContact O-CA 3.22Å; S22-G192 WeakPolarHBondContact O-CA 3.4Å; S25-G192 PolarHBondContact OG-N 2.86Å; T93-G192 VanDerWaalsContact CG2-C 3.44Å; T93-G192 WeakPolarHBondContact CG2-O 3.33Å |
| 193 | V | 96.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -96.2 | 121.2 | -178.6 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | S25 I27 T93 A96 Q197 L198 | S25-V193 WeakPolarHBondContact OG-CG2 3.45Å; I27-V193 HydrophobicContact CD1-CG2 4.14Å; T93-V193 HydrophobicContact CG2-CG2 4.32Å; A96-V193 HydrophobicContact CB-CG2 3.58Å; V193-Q197 HydrophobicContact CG1-CB 4.25Å; V193-Q197 HydrophobicContact CG1-CG 4.32Å; V193-L198 HydrophobicContact CG1-CB 4.09Å | ||
| 194 | S | 96.6 | Very high | 97.4 | Very high | 33 Ų | 33 | 28.3 Ų | 28.3 | 23% | 0.231 | 15% | 0.15 | C | C | . | . | trans | -67 | 153 | 175.4 | 104.9 | 0 | 0 | 0 | 0 | 111.5 | D19 E196 Q197 L198 | D19-S194 WeakPolarHBondContact OD2-CA 3.42Å; S194-E196 VanDerWaalsContact C-N 3.32Å; S194-E196 PolarHBondContact O-N 3.16Å; S194-E196 PolarHBondContact OG-N 3.02Å; S194-E196 PolarHBondContact OG-OE2 2.83Å; S194-Q197 PolarHBondContact O-N 2.96Å; S194-Q197 PolarHBondContact OG-N 2.85Å; S194-L198 PolarHBondContact O-N 3.14Å | ||
| 195 | H | 98 | Very high | 97.5 | Very high | 18 Ų | 18 | 30.2 Ų | 30.2 | 8% | 0.083 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.1 | -40.2 | -180 | -170.7 | 63.8 | 0 | 0 | 0 | 112.4 | H5 T7 S17 Q197 L198 C199 | H5-H195 HydrophobicContact CB-CB 3.87Å; H5-H195 VanDerWaalsContact CB-CG 3.42Å; H5-H195 PolarHBondContact O-CE1 3.2Å; T7-H195 PolarHBondContact OG1-NE2 2.7Å; S17-H195 VanDerWaalsContact OG-CA 3.3Å; S17-H195 WeakPolarHBondContact OG-CA 3.41Å; S17-H195 VanDerWaalsContact OG-CB 3.23Å; S17-H195 WeakPolarHBondContact OG-CB 3.42Å; S17-H195 PolarHBondContact OG-ND1 3.04Å; H195-Q197 VanDerWaalsContact C-N 3.35Å; H195-L198 PolarHBondContact O-N 2.98Å; H195-C199 PolarHBondContact NE2-SG 3.01Å; H195-C199 WeakPolarHBondContact O-CB 3.27Å; H195-C199 PolarHBondContact O-N 3.25Å; H195-C199 PolarHBondContact O-SG 3.34Å; H195-C199 VanDerWaalsContact O-SG 3.33Å |
| 196 | E | 97.9 | Very high | 97.6 | Very high | 126 Ų | 126 | 30.3 Ų | 30.3 | 59% | 0.589 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -66.2 | -39.7 | 179.7 | -56.5 | 73.2 | -159.6 | 0 | 0 | 111.1 | S194 S200 | S194-E196 VanDerWaalsContact C-N 3.32Å; S194-E196 PolarHBondContact O-N 3.16Å; S194-E196 PolarHBondContact OG-N 3.02Å; S194-E196 PolarHBondContact OG-OE2 2.83Å; E196-S200 WeakPolarHBondContact O-CB 3.31Å; E196-S200 PolarHBondContact O-N 3.21Å; E196-S200 PolarHBondContact O-OG 3.29Å |
| 197 | Q | 97.7 | Very high | 97.4 | Very high | 77 Ų | 77 | 32.4 Ų | 32.4 | 36% | 0.36 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.7 | -48.8 | 173.8 | -174.5 | -176.9 | 8.4 | 0 | 0 | 110.1 | V193 S194 H195 C199 S200 L201 | V193-Q197 HydrophobicContact CG1-CB 4.25Å; V193-Q197 HydrophobicContact CG1-CG 4.32Å; S194-Q197 PolarHBondContact O-N 2.96Å; S194-Q197 PolarHBondContact OG-N 2.85Å; H195-Q197 VanDerWaalsContact C-N 3.35Å; Q197-C199 PolarHBondContact O-N 3.26Å; Q197-S200 WeakPolarHBondContact O-CB 3.34Å; Q197-S200 PolarHBondContact O-N 2.55Å; Q197-L201 HydrophobicContact CG-CD1 4.27Å; Q197-L201 VanDerWaalsContact O-CG 3.31Å; Q197-L201 WeakPolarHBondContact O-CG 3.29Å; Q197-L201 PolarHBondContact O-N 3.37Å |
| 198 | L | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 179.8 | -170.1 | 68.6 | 0 | 0 | 0 | 112.1 | V15 A16 I27 V100 L187 V193 S194 H195 S200 L201 A202 | V15-L198 HydrophobicContact CG1-CB 4.21Å; V15-L198 HydrophobicContact CG1-CD2 3.46Å; V15-L198 VanDerWaalsContact CG1-CD2 3.46Å; V15-L198 HydrophobicContact CG1-CG 3.61Å; A16-L198 WeakPolarHBondContact O-CD2 3.45Å; I27-L198 HydrophobicContact CG2-CD1 4.29Å; V100-L198 HydrophobicContact CG2-CD1 4.3Å; L187-L198 HydrophobicContact CD2-CD1 3.8Å; L187-L198 HydrophobicContact CD2-CG 3.98Å; L187-L198 HydrophobicContact CG-CD1 4.08Å; L187-L198 HydrophobicContact CG-CD2 4.39Å; L187-L198 HydrophobicContact CG-CG 4.34Å; V193-L198 HydrophobicContact CG1-CB 4.09Å; S194-L198 PolarHBondContact O-N 3.14Å; H195-L198 PolarHBondContact O-N 2.98Å; L198-S200 VanDerWaalsContact C-N 3.32Å; L198-S200 PolarHBondContact O-N 2.78Å; L198-L201 PolarHBondContact O-N 3.25Å; L198-A202 WeakPolarHBondContact O-CB 3.09Å; L198-A202 PolarHBondContact O-N 3.24Å |
| 199 | C | 98.4 | Very high | 96.9 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 15% | 0.149 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.5 | -41.1 | 175.2 | -74.6 | 0 | 0 | 0 | 0 | 112.1 | M9 H195 Q197 A202 E203 | M9-C199 HydrophobicContact CE-CB 3.86Å; M9-C199 WeakPolarHBondContact CE-SG 3.27Å; H195-C199 PolarHBondContact NE2-SG 3.01Å; H195-C199 WeakPolarHBondContact O-CB 3.27Å; H195-C199 PolarHBondContact O-N 3.25Å; H195-C199 PolarHBondContact O-SG 3.34Å; H195-C199 VanDerWaalsContact O-SG 3.33Å; Q197-C199 PolarHBondContact O-N 3.26Å; C199-A202 PolarHBondContact O-N 3.32Å; C199-E203 PolarHBondContact O-N 3.27Å |
| 200 | S | 98.3 | Very high | 96.6 | Very high | 80 Ų | 80 | 42.5 Ų | 42.5 | 56% | 0.559 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -64.6 | -40 | 176.7 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | E196 Q197 L198 K204 | E196-S200 WeakPolarHBondContact O-CB 3.31Å; E196-S200 PolarHBondContact O-N 3.21Å; E196-S200 PolarHBondContact O-OG 3.29Å; Q197-S200 WeakPolarHBondContact O-CB 3.34Å; Q197-S200 PolarHBondContact O-N 2.55Å; L198-S200 VanDerWaalsContact C-N 3.32Å; L198-S200 PolarHBondContact O-N 2.78Å; S200-K204 WeakPolarHBondContact O-CB 3.37Å; S200-K204 PolarHBondContact O-N 3.34Å |
| 201 | L | 98.3 | Very high | 96.2 | Very high | 11 Ų | 11 | 46 Ų | 46 | 6% | 0.058 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 174.9 | -66.1 | 174.6 | 0 | 0 | 0 | 111.6 | E97 V100 Q197 L198 K204 Y205 | E97-L201 HydrophobicContact CB-CD1 4.36Å; E97-L201 HydrophobicContact CB-CD2 3.69Å; E97-L201 HydrophobicContact CG-CD2 3.59Å; V100-L201 HydrophobicContact CB-CB 4.3Å; V100-L201 HydrophobicContact CB-CD1 4.46Å; V100-L201 HydrophobicContact CG1-CB 4.01Å; V100-L201 HydrophobicContact CG2-CB 4.25Å; V100-L201 HydrophobicContact CG2-CD1 4.01Å; Q197-L201 HydrophobicContact CG-CD1 4.27Å; Q197-L201 VanDerWaalsContact O-CG 3.31Å; Q197-L201 WeakPolarHBondContact O-CG 3.29Å; Q197-L201 PolarHBondContact O-N 3.37Å; L198-L201 PolarHBondContact O-N 3.25Å; L201-K204 PolarHBondContact O-N 2.9Å; L201-Y205 HydrophobicContact CD2-CD2 4.33Å; L201-Y205 HydrophobicContact CD2-CE2 3.96Å; L201-Y205 WeakPolarHBondContact O-CB 3.28Å; L201-Y205 WeakPolarHBondContact O-CD2 3.33Å; L201-Y205 PolarHBondContact O-N 2.76Å |
| 202 | A | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L13 V15 L187 L198 C199 K204 M206 S207 | L13-A202 HydrophobicContact CD2-CB 4.28Å; V15-A202 HydrophobicContact CG2-CB 3.61Å; L187-A202 HydrophobicContact CD2-CB 3.72Å; L198-A202 WeakPolarHBondContact O-CB 3.09Å; L198-A202 PolarHBondContact O-N 3.24Å; C199-A202 PolarHBondContact O-N 3.32Å; A202-K204 VanDerWaalsContact C-N 3.32Å; A202-K204 PolarHBondContact O-N 3.46Å; A202-M206 CarbonylContact O-C 3.42Å; A202-M206 VanDerWaalsContact O-CA 3.28Å; A202-M206 WeakPolarHBondContact O-CA 3.35Å; A202-M206 WeakPolarHBondContact O-CB 3.09Å; A202-M206 PolarHBondContact O-N 2.75Å; A202-S207 PolarHBondContact O-N 3.32Å |
| 203 | E | 97.8 | Very high | 93.8 | Very high | 84 Ų | 84 | 55.1 Ų | 55.1 | 39% | 0.393 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 176.4 | -173 | 70.3 | -178.7 | 0 | 0 | 111.2 | C199 S207 | C199-E203 PolarHBondContact O-N 3.27Å; E203-S207 WeakPolarHBondContact O-CB 3.48Å; E203-S207 PolarHBondContact O-OG 2.83Å |
| 204 | K | 97.8 | Very high | 92.1 | Very high | 124 Ų | 124 | 58.9 Ų | 58.9 | 54% | 0.539 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.9 | -43.8 | -179.5 | -178.1 | 175.7 | 173.2 | -171.6 | 0 | 113.3 | E97 S200 L201 A202 | E97-K204 IonicContact OE1-NZ 2.61Å; E97-K204 PolarHBondContact OE1-NZ 3.44Å; S200-K204 WeakPolarHBondContact O-CB 3.37Å; S200-K204 PolarHBondContact O-N 3.34Å; L201-K204 PolarHBondContact O-N 2.9Å; A202-K204 VanDerWaalsContact C-N 3.32Å; A202-K204 PolarHBondContact O-N 3.46Å |
| 205 | Y | 97.5 | Very high | 90.3 | Very high | 42 Ų | 42 | 59.2 Ų | 59.2 | 17% | 0.165 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -107.4 | -23.5 | -168.5 | -69.3 | -74.1 | 0 | 0 | 0 | 114.3 | E97 V100 D101 L201 | E97-Y205 HydrophobicContact CG-CE2 3.96Å; E97-Y205 PolarHBondContact OE1-OH 2.78Å; V100-Y205 HydrophobicContact CG1-CD2 4.1Å; V100-Y205 HydrophobicContact CG1-CG 4.42Å; D101-Y205 HydrophobicContact CB-CD1 3.92Å; D101-Y205 HydrophobicContact CB-CE1 3.55Å; D101-Y205 HydrophobicContact CB-CE2 4.49Å; D101-Y205 VanDerWaalsContact CG-CE1 3.5Å; D101-Y205 WeakPolarHBondContact OD1-CD1 3.32Å; D101-Y205 VanDerWaalsContact OD1-CE1 3.3Å; D101-Y205 WeakPolarHBondContact OD1-CE1 3.19Å; L201-Y205 HydrophobicContact CD2-CD2 4.33Å; L201-Y205 HydrophobicContact CD2-CE2 3.96Å; L201-Y205 WeakPolarHBondContact O-CB 3.28Å; L201-Y205 WeakPolarHBondContact O-CD2 3.33Å; L201-Y205 PolarHBondContact O-N 2.76Å |
| 206 | M | 96.9 | Very high | 88.6 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.01 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -123.5 | 3.7 | -170.1 | -63.7 | -174.1 | 174.6 | 0 | 0 | 113.8 | N11 L13 V29 V100 L103 L107 L187 A202 N208 L209 | N11-M206 PolarHBondContact ND2-O 3.31Å; L13-M206 HydrophobicContact CD2-CB 3.77Å; L13-M206 HydrophobicContact CD2-SD 4Å; V29-M206 HydrophobicContact CG2-CE 3.69Å; V29-M206 HydrophobicContact CG2-SD 4.42Å; V100-M206 HydrophobicContact CG1-CE 4.27Å; L103-M206 HydrophobicContact CB-CE 4.33Å; L107-M206 HydrophobicContact CD1-CE 4.49Å; L187-M206 HydrophobicContact CB-SD 4.46Å; L187-M206 HydrophobicContact CD1-CE 4.1Å; L187-M206 HydrophobicContact CD1-SD 4.24Å; L187-M206 HydrophobicContact CD2-SD 4.1Å; A202-M206 CarbonylContact O-C 3.42Å; A202-M206 VanDerWaalsContact O-CA 3.28Å; A202-M206 WeakPolarHBondContact O-CA 3.35Å; A202-M206 WeakPolarHBondContact O-CB 3.09Å; A202-M206 PolarHBondContact O-N 2.75Å; M206-N208 PolarHBondContact O-N 3.41Å; M206-L209 HydrophobicContact CB-CD1 3.76Å; M206-L209 HydrophobicContact CB-CG 4.26Å; M206-L209 HydrophobicContact CG-CD1 4.25Å; M206-L209 WeakPolarHBondContact O-CB 3.41Å; M206-L209 WeakPolarHBondContact O-CG 3.49Å; M206-L209 PolarHBondContact O-N 3.07Å; M206-L209 VanDerWaalsContact O-N 3.15Å; M206-L209 HydrophobicContact SD-CD1 4.45Å |
| 207 | S | 94.4 | Very high | 87.4 | Confident | 45 Ų | 45 | 63.1 Ų | 63.1 | 32% | 0.315 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -30.3 | 174.4 | 49.3 | 0 | 0 | 0 | 0 | 113.2 | N11 A202 E203 L209 | N11-S207 PolarHBondContact ND2-O 3.34Å; N11-S207 VanDerWaalsContact ND2-O 3.14Å; A202-S207 PolarHBondContact O-N 3.32Å; E203-S207 WeakPolarHBondContact O-CB 3.48Å; E203-S207 PolarHBondContact O-OG 2.83Å; S207-L209 VanDerWaalsContact C-N 3.29Å; S207-L209 PolarHBondContact O-N 3.24Å |
| 208 | N | 92.8 | Very high | 86 | Confident | 138 Ų | 138 | 62.5 Ų | 62.5 | 74% | 0.738 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 0.2 | 178.8 | -66.1 | -32.9 | 0 | 0 | 0 | 114.3 | M206 | M206-N208 PolarHBondContact O-N 3.41Š|
| 209 | L | 93.4 | Very high | 84.7 | Confident | 9 Ų | 9 | 67.8 Ų | 67.8 | 5% | 0.047 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -56 | 134.1 | 173.9 | -78.5 | 168.1 | 0 | 0 | 0 | 110 | L13 L108 A182 M185 M206 S207 | L13-L209 HydrophobicContact CD1-CD1 4.24Å; L13-L209 HydrophobicContact CD2-CD1 4.22Å; L108-L209 HydrophobicContact CD2-CD2 3.59Å; L108-L209 HydrophobicContact CD2-CG 4.16Å; L108-L209 HydrophobicContact CG-CD2 4.05Å; A182-L209 HydrophobicContact CB-CB 3.8Å; A182-L209 HydrophobicContact CB-CD1 4.49Å; M185-L209 HydrophobicContact CE-CD2 4.36Å; M185-L209 HydrophobicContact SD-CD1 3.85Å; M185-L209 HydrophobicContact SD-CD2 3.95Å; M206-L209 HydrophobicContact CB-CD1 3.76Å; M206-L209 HydrophobicContact CB-CG 4.26Å; M206-L209 HydrophobicContact CG-CD1 4.25Å; M206-L209 WeakPolarHBondContact O-CB 3.41Å; M206-L209 WeakPolarHBondContact O-CG 3.49Å; M206-L209 PolarHBondContact O-N 3.07Å; M206-L209 VanDerWaalsContact O-N 3.15Å; M206-L209 HydrophobicContact SD-CD1 4.45Å; S207-L209 VanDerWaalsContact C-N 3.29Å; S207-L209 PolarHBondContact O-N 3.24Å |
| 210 | P | 91.9 | Very high | 83.6 | Confident | 64 Ų | 64 | 69 Ų | 69 | 42% | 0.416 | 40% | 0.4 | S | S | . | . | trans | -63.2 | 146.4 | -178.8 | 27 | -34.1 | 0 | 0 | 0 | 110.5 | Y180 L181 A182 | Y180-P210 WeakPolarHBondContact O-CG 3.48Å; L181-P210 CarbonylContact C-O 3.32Å; L181-P210 WeakPolarHBondContact CA-O 3.27Å; L181-P210 HydrophobicContact CD2-CB 4.06Å; L181-P210 HydrophobicContact CD2-CG 4.12Å; A182-P210 PolarHBondContact N-O 2.61Å | ||
| 211 | T | 88.9 | Confident | 82.4 | Confident | 74 Ų | 74 | 67.6 Ų | 67.6 | 45% | 0.454 | 40% | 0.398 | S | S | . | . | trans | -135.8 | 156.5 | 177.7 | -163.8 | 0 | 0 | 0 | 0 | 109.8 | N11 | N11-T211 WeakPolarHBondContact O-CB 3.29Å; N11-T211 PolarHBondContact O-OG1 3Å | ||
| 212 | T | 78.3 | Confident | 81.6 | Confident | 46 Ų | 46 | 70.5 Ų | 70.5 | 28% | 0.282 | 43% | 0.431 | S | S | . | . | trans | -101.6 | 137.3 | 176.3 | 51.4 | 0 | 0 | 0 | 0 | 110.2 | L181 S214 G215 | L181-T212 HydrophobicContact CD1-CG2 3.57Å; L181-T212 HydrophobicContact CD2-CG2 4.42Å; T212-S214 PolarHBondContact O-N 2.93Å; T212-G215 PolarHBondContact O-N 3.4Å | ||
| 213 | V | 62.3 | Low | 81.1 | Confident | 162 Ų | 162 | 72 Ų | 72 | 98% | 0.982 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -30.9 | -178.8 | -177.6 | 0 | 0 | 0 | 0 | 112 | ||
| 214 | S | 60.9 | Low | 80.8 | Confident | 78 Ų | 78 | 75.6 Ų | 75.6 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -16.7 | -177.4 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | T212 Q216 | T212-S214 PolarHBondContact O-N 2.93Å; S214-Q216 PolarHBondContact O-N 3.21Å; S214-Q216 PolarHBondContact OG-N 3.2Å |
| 215 | G | 57.6 | Low | 80.7 | Confident | 41 Ų | 41 | 71.4 Ų | 71.4 | 42% | 0.423 | 43% | 0.433 | S | S | . | . | trans | 56.8 | 8 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | T212 | T212-G215 PolarHBondContact O-N 3.4Š| ||
| 216 | Q | 63.9 | Low | 80.6 | Confident | 155 Ų | 155 | 71 Ų | 71 | 72% | 0.724 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -92.3 | 127.8 | 179.8 | -70.1 | -178.2 | -2.3 | 0 | 0 | 108.9 | S214 | S214-Q216 PolarHBondContact O-N 3.21Å; S214-Q216 PolarHBondContact OG-N 3.2Å |
| 217 | F | 72.7 | Confident | 80.5 | Confident | 70 Ų | 70 | 73.4 Ų | 73.4 | 31% | 0.307 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -102.4 | 155.2 | 176.8 | -57.5 | -61.2 | 0 | 0 | 0 | 110.1 | L181 P183 R184 S219 | L181-F217 HydrophobicContact CB-CE1 4.35Å; L181-F217 HydrophobicContact CD1-CD1 4.16Å; L181-F217 HydrophobicContact CD1-CE1 3.82Å; P183-F217 HydrophobicContact CB-CE2 4.47Å; P183-F217 HydrophobicContact CB-CZ 3.85Å; P183-F217 HydrophobicContact CG-CZ 4.06Å; R184-F217 VanDerWaalsContact CD-CD1 3.47Å; R184-F217 HydrophobicContact CG-CD1 3.7Å; R184-F217 HydrophobicContact CG-CD2 4.14Å; R184-F217 HydrophobicContact CG-CE1 3.38Å; R184-F217 HydrophobicContact CG-CE2 3.85Å; R184-F217 HydrophobicContact CG-CG 4.07Å; R184-F217 HydrophobicContact CG-CZ 3.46Å; R184-F217 VanDerWaalsContact CG-CZ 3.46Å; F217-S219 PolarHBondContact O-N 3.36Å; F217-S219 VanDerWaalsContact O-N 3.14Å |
| 218 | P | 68.3 | Low | 80.5 | Confident | 65 Ų | 65 | 73.8 Ų | 73.8 | 42% | 0.422 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 124.3 | 172.7 | -24.4 | 32.8 | 0 | 0 | 0 | 109.9 | E178 L220 | E178-P218 HydrophobicContact CG-CG 4.5Å; P218-L220 PolarHBondContact O-N 2.81Å |
| 219 | S | 69.9 | Low | 80.6 | Confident | 110 Ų | 110 | 75.3 Ų | 75.3 | 77% | 0.769 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 124.2 | 173.8 | 56.1 | 0 | 0 | 0 | 0 | 108.1 | F217 G221 | F217-S219 PolarHBondContact O-N 3.36Å; F217-S219 VanDerWaalsContact O-N 3.14Å; S219-G221 PolarHBondContact O-N 2.98Å |
| 220 | L | 75.7 | Confident | 80.6 | Confident | 48 Ų | 48 | 79.4 Ų | 79.4 | 25% | 0.251 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 123.4 | 162.2 | -69.3 | 167.1 | 0 | 0 | 0 | 106.2 | R36 Y37 P218 | R36-L220 HydrophobicContact CG-CD2 3.83Å; Y37-L220 HydrophobicContact CD1-CD2 3.62Å; Y37-L220 HydrophobicContact CD1-CG 4.33Å; Y37-L220 HydrophobicContact CE1-CD1 3.86Å; Y37-L220 HydrophobicContact CE1-CD2 3.44Å; Y37-L220 VanDerWaalsContact CE1-CD2 3.44Å; Y37-L220 HydrophobicContact CE1-CG 3.69Å; Y37-L220 HydrophobicContact CG-CD2 4.34Å; P218-L220 PolarHBondContact O-N 2.81Å |
| 221 | G | 73.8 | Confident | 80.8 | Confident | 50 Ų | 50 | 83.1 Ų | 83.1 | 52% | 0.515 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 152 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | S219 C223 | S219-G221 PolarHBondContact O-N 2.98Å; G221-C223 PolarHBondContact O-N 3.12Å |
| 222 | G | 80.7 | Confident | 81 | Confident | 72 Ų | 72 | 86.6 Ų | 86.6 | 74% | 0.742 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -53 | 136.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 223 | C | 87.6 | Confident | 81.6 | Confident | 32 Ų | 32 | 93.5 Ų | 93.5 | 22% | 0.216 | 53% | 0.527 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 144.8 | 170.8 | -167.2 | 0 | 0 | 0 | 0 | 110.4 | F148 L153 G221 T306 | F148-C223 WeakPolarHBondContact CD1-SG 3.18Å; F148-C223 VanDerWaalsContact CE1-SG 3.57Å; L153-C223 HydrophobicContact CD1-CB 4.46Å; G221-C223 PolarHBondContact O-N 3.12Å; C223-T306 HydrophobicContact CB-CG2 4.19Å |
| 224 | R | 92.4 | Very high | 83 | Confident | 160 Ų | 160 | 89.6 Ų | 89.6 | 60% | 0.604 | 50% | 0.498 | S | S | * | . | trans | -134.3 | 116 | 173.9 | -179.1 | -176 | 67.8 | -145.9 | -6 | 108.6 | T151 | T151-R224 HydrophobicContact CG2-CB 4.44Š| ||
| 225 | F | 95.6 | Very high | 84.4 | Confident | 37 Ų | 37 | 91.7 Ų | 91.7 | 16% | 0.162 | 50% | 0.503 | C | S | . | . | trans | -68.3 | 133.2 | 166.5 | -177 | -95.3 | 0 | 0 | 0 | 110.8 | A147 F148 E247 L308 | A147-F225 HydrophobicContact CB-CD2 4.04Å; A147-F225 HydrophobicContact CB-CE2 3.82Å; A147-F225 CarbonylContact O-C 3.6Å; A147-F225 VanDerWaalsContact O-CA 3.31Å; A147-F225 WeakPolarHBondContact O-CA 2.98Å; F148-F225 HydrophobicContact CE1-CD2 4.32Å; F225-E247 HydrophobicContact CB-CB 3.82Å; F225-E247 HydrophobicContact CB-CG 3.75Å; F225-E247 WeakPolarHBondContact CB-OE1 3.47Å; F225-E247 HydrophobicContact CD1-CB 3.85Å; F225-E247 HydrophobicContact CD2-CB 3.81Å; F225-E247 HydrophobicContact CD2-CG 4.33Å; F225-E247 HydrophobicContact CE1-CB 4.34Å; F225-E247 HydrophobicContact CE2-CB 4.3Å; F225-E247 HydrophobicContact CG-CB 3.55Å; F225-E247 HydrophobicContact CG-CG 4.04Å; F225-L308 HydrophobicContact CD2-CD2 4.07Å; F225-L308 HydrophobicContact CE2-CD2 3.75Å | ||
| 226 | T | 95.4 | Very high | 86.1 | Confident | 32 Ų | 32 | 94.3 Ų | 94.3 | 20% | 0.196 | 52% | 0.515 | C | S | . | . | trans | -123.3 | 108.9 | -178.9 | -55.2 | 0 | 0 | 0 | 0 | 108.7 | A147 S228 | A147-T226 PolarHBondContact O-N 3.49Å; T226-S228 PolarHBondContact O-N 3.46Å; T226-S228 PolarHBondContact O-OG 3.28Å | ||
| 227 | G | 94.3 | Very high | 87.5 | Confident | 54 Ų | 54 | 90.2 Ų | 90.2 | 56% | 0.557 | 50% | 0.497 | S | S | * | . | trans | -61.3 | 111.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 228 | S | 94.8 | Very high | 88.4 | Confident | 53 Ų | 53 | 91.4 Ų | 91.4 | 37% | 0.371 | 51% | 0.512 | S | S | . | . | trans | -151.9 | 166.9 | -175.4 | 58.4 | 0 | 0 | 0 | 0 | 110.4 | T146 Q149 T226 | T146-S228 WeakPolarHBondContact CB-OG 3.1Å; T146-S228 PolarHBondContact O-OG 3.43Å; Q149-S228 VanDerWaalsContact NE2-CB 3.32Å; Q149-S228 PolarHBondContact NE2-OG 2.99Å; Q149-S228 VanDerWaalsContact NE2-OG 3.12Å; T226-S228 PolarHBondContact O-N 3.46Å; T226-S228 PolarHBondContact O-OG 3.28Å | ||
| 229 | E | 94.3 | Very high | 89.7 | Confident | 169 Ų | 169 | 91.6 Ų | 91.6 | 79% | 0.79 | 51% | 0.506 | S | S | * | . | trans | -128.5 | 146.2 | 175.1 | 66.2 | -176 | -179.6 | 0 | 0 | 109.4 | ||||
| 230 | M | 94.3 | Very high | 90.9 | Very high | 95 Ų | 95 | 88 Ų | 88 | 47% | 0.468 | 48% | 0.48 | S | S | . | . | trans | -136.7 | 127.4 | 170.9 | 177.9 | 173.3 | 177.3 | 0 | 0 | 108.1 | Y142 T146 | Y142-M230 HydrophobicContact CD1-CE 4.07Å; Y142-M230 HydrophobicContact CD1-SD 4.4Å; Y142-M230 HydrophobicContact CD2-CE 3.69Å; Y142-M230 HydrophobicContact CD2-SD 4.13Å; Y142-M230 HydrophobicContact CE1-CE 4.11Å; Y142-M230 HydrophobicContact CE2-CE 3.72Å; Y142-M230 HydrophobicContact CG-CE 3.87Å; Y142-M230 HydrophobicContact CG-SD 3.94Å; T146-M230 HydrophobicContact CG2-CB 3.44Å; T146-M230 VanDerWaalsContact CG2-CB 3.44Å; T146-M230 HydrophobicContact CG2-CG 4.24Å; T146-M230 HydrophobicContact CG2-SD 3.81Å | ||
| 231 | I | 94.4 | Very high | 92 | Very high | 143 Ų | 143 | 88.6 Ų | 88.6 | 73% | 0.733 | 48% | 0.48 | S | S | * | . | trans | -121.6 | 115.8 | 179.6 | -59 | 174.1 | 0 | 0 | 0 | 106.6 | ||||
| 232 | Y | 93 | Very high | 93.1 | Very high | 146 Ų | 146 | 87.1 Ų | 87.1 | 57% | 0.573 | 46% | 0.463 | S | S | * | . | trans | -102.6 | 114.6 | 169.5 | -177.4 | -92.7 | 0 | 0 | 0 | 107.9 | E234 M237 | Y232-E234 HydrophobicContact CD1-CB 4.33Å; Y232-E234 HydrophobicContact CE1-CB 3.82Å; Y232-M237 HydrophobicContact CE1-CE 4.33Å | ||
| 233 | R | 92.5 | Very high | 93.9 | Very high | 192 Ų | 192 | 84.9 Ų | 84.9 | 73% | 0.725 | 44% | 0.437 | S | S | * | . | trans | -100.8 | 119.2 | -176.6 | -178.8 | 175.3 | 172.1 | 171.2 | -2.9 | 110.3 | D235 | R233-D235 IonicContact CZ-OD1 3.44Å; R233-D235 IonicContact CZ-OD2 3.89Å; R233-D235 IonicContact NE-OD1 2.77Å; R233-D235 PolarHBondContact NE-OD1 2.76Å; R233-D235 IonicContact NE-OD2 3.8Å; R233-D235 IonicContact NH2-OD1 3.2Å; R233-D235 PolarHBondContact NH2-OD1 3.13Å; R233-D235 IonicContact NH2-OD2 3.09Å; R233-D235 PolarHBondContact NH2-OD2 2.98Å; R233-D235 VanDerWaalsContact NH2-OD2 3.09Å | ||
| 234 | E | 91.5 | Very high | 94.4 | Very high | 80 Ų | 80 | 85 Ų | 85 | 37% | 0.374 | 44% | 0.437 | S | S | . | . | trans | -136.7 | 102.8 | 173.6 | 176.2 | 52.1 | -112.3 | 0 | 0 | 109 | Y232 S236 M237 | Y232-E234 HydrophobicContact CD1-CB 4.33Å; Y232-E234 HydrophobicContact CE1-CB 3.82Å; E234-S236 VanDerWaalsContact CD-OG 3.25Å; E234-S236 WeakPolarHBondContact CG-OG 3.38Å; E234-S236 PolarHBondContact O-N 3.46Å; E234-S236 VanDerWaalsContact O-N 3.12Å; E234-S236 WeakPolarHBondContact OE1-CB 3.45Å; E234-S236 PolarHBondContact OE1-N 3.38Å; E234-S236 PolarHBondContact OE1-OG 3.39Å; E234-M237 HydrophobicContact CB-CE 3.98Å; E234-M237 HydrophobicContact CB-CG 4.03Å; E234-M237 HydrophobicContact CB-SD 4.23Å; E234-M237 HydrophobicContact CG-CE 4.14Å; E234-M237 HydrophobicContact CG-CG 3.89Å; E234-M237 PolarHBondContact O-N 2.83Å; E234-M237 VanDerWaalsContact O-N 3.12Å | ||
| 235 | D | 90.8 | Very high | 94.6 | Very high | 121 Ų | 121 | 78.3 Ų | 78.3 | 65% | 0.647 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -11.7 | -171.7 | -69.7 | -3.9 | 0 | 0 | 0 | 112.7 | R233 | R233-D235 IonicContact CZ-OD1 3.44Å; R233-D235 IonicContact CZ-OD2 3.89Å; R233-D235 IonicContact NE-OD1 2.77Å; R233-D235 PolarHBondContact NE-OD1 2.76Å; R233-D235 IonicContact NE-OD2 3.8Å; R233-D235 IonicContact NH2-OD1 3.2Å; R233-D235 PolarHBondContact NH2-OD1 3.13Å; R233-D235 IonicContact NH2-OD2 3.09Å; R233-D235 PolarHBondContact NH2-OD2 2.98Å; R233-D235 VanDerWaalsContact NH2-OD2 3.09Å |
| 236 | S | 92.4 | Very high | 94.6 | Very high | 96 Ų | 96 | 77.5 Ų | 77.5 | 67% | 0.671 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -9.7 | 174.4 | 65.1 | 0 | 0 | 0 | 0 | 114.4 | E234 | E234-S236 VanDerWaalsContact CD-OG 3.25Å; E234-S236 WeakPolarHBondContact CG-OG 3.38Å; E234-S236 PolarHBondContact O-N 3.46Å; E234-S236 VanDerWaalsContact O-N 3.12Å; E234-S236 WeakPolarHBondContact OE1-CB 3.45Å; E234-S236 PolarHBondContact OE1-N 3.38Å; E234-S236 PolarHBondContact OE1-OG 3.39Å |
| 237 | M | 92.3 | Very high | 94.7 | Very high | 69 Ų | 69 | 81 Ų | 81 | 34% | 0.34 | 43% | 0.428 | S | S | . | . | trans | -73.1 | 139.8 | 178.9 | -69.2 | -171.3 | 179.2 | 0 | 0 | 111.7 | M135 Y232 E234 F239 Y241 | M135-M237 HydrophobicContact SD-CE 3.85Å; M135-M237 HydrophobicContact SD-SD 4.24Å; Y232-M237 HydrophobicContact CE1-CE 4.33Å; E234-M237 HydrophobicContact CB-CE 3.98Å; E234-M237 HydrophobicContact CB-CG 4.03Å; E234-M237 HydrophobicContact CB-SD 4.23Å; E234-M237 HydrophobicContact CG-CE 4.14Å; E234-M237 HydrophobicContact CG-CG 3.89Å; E234-M237 PolarHBondContact O-N 2.83Å; E234-M237 VanDerWaalsContact O-N 3.12Å; M237-F239 VanDerWaalsContact C-N 3.33Å; M237-F239 PolarHBondContact O-N 2.79Å; M237-Y241 HydrophobicContact SD-CD2 4.31Å; M237-Y241 HydrophobicContact SD-CE2 4.39Å | ||
| 238 | P | 92.7 | Very high | 94.7 | Very high | 95 Ų | 95 | 78.9 Ų | 78.9 | 62% | 0.617 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -72.1 | -26.2 | -178.7 | 28.4 | -35.2 | 0 | 0 | 0 | 113.6 | ||
| 239 | F | 95.2 | Very high | 94.7 | Very high | 69 Ų | 69 | 77.5 Ų | 77.5 | 30% | 0.303 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -143 | 162.1 | -176.3 | -58.9 | -63.8 | 0 | 0 | 0 | 110.5 | M237 Y241 Q294 V314 D316 | M237-F239 VanDerWaalsContact C-N 3.33Å; M237-F239 PolarHBondContact O-N 2.79Å; F239-Y241 HydrophobicContact CB-CE2 4.39Å; F239-Y241 WeakPolarHBondContact O-CD2 3.26Å; F239-Y241 WeakPolarHBondContact O-CE2 3.38Å; F239-Q294 HydrophobicContact CD1-CG 3.77Å; F239-Q294 HydrophobicContact CE1-CG 3.57Å; F239-Q294 HydrophobicContact CE2-CG 4.38Å; F239-Q294 HydrophobicContact CG-CG 4.27Å; F239-Q294 HydrophobicContact CZ-CG 3.9Å; F239-V314 HydrophobicContact CB-CG1 3.83Å; F239-V314 HydrophobicContact CD2-CG1 4.2Å; F239-V314 HydrophobicContact CG-CG1 4.11Å; F239-D316 WeakPolarHBondContact CD1-OD1 3.41Å; F239-D316 VanDerWaalsContact CE1-OD1 3.31Å; F239-D316 WeakPolarHBondContact CE1-OD1 3.42Å |
| 240 | C | 96.2 | Very high | 94.6 | Very high | 34 Ų | 34 | 69.6 Ų | 69.6 | 23% | 0.23 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 127.6 | 163.6 | -175.1 | 0 | 0 | 0 | 0 | 109.5 | V314 A315 I320 | C240-V314 WeakPolarHBondContact O-CA 3.43Å; C240-A315 WeakPolarHBondContact CA-O 3.43Å; C240-A315 WeakPolarHBondContact CB-O 3.3Å; C240-A315 PolarHBondContact N-O 3.46Å; C240-A315 PolarHBondContact O-N 2.93Å; C240-I320 HydrophobicContact CB-CB 4.36Å; C240-I320 HydrophobicContact CB-CG1 4.46Å |
| 241 | Y | 97.2 | Very high | 94.3 | Very high | 62 Ų | 62 | 67.5 Ų | 67.5 | 24% | 0.243 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 115.3 | 173.6 | -54 | -90.3 | 0 | 0 | 0 | 108 | M135 V139 M237 F239 Y312 V314 | M135-Y241 HydrophobicContact CB-CD1 3.58Å; M135-Y241 HydrophobicContact CB-CD2 3.95Å; M135-Y241 HydrophobicContact CB-CE1 3.86Å; M135-Y241 HydrophobicContact CB-CE2 4.21Å; M135-Y241 HydrophobicContact CB-CG 3.63Å; M135-Y241 HydrophobicContact CG-CD1 4.1Å; M135-Y241 HydrophobicContact CG-CD2 3.78Å; M135-Y241 HydrophobicContact CG-CE1 3.97Å; M135-Y241 HydrophobicContact CG-CE2 3.66Å; M135-Y241 HydrophobicContact CG-CG 4Å; M135-Y241 HydrophobicContact SD-CD2 4.17Å; M135-Y241 HydrophobicContact SD-CE2 4.25Å; V139-Y241 WeakPolarHBondContact CG2-O 3.43Å; M237-Y241 HydrophobicContact SD-CD2 4.31Å; M237-Y241 HydrophobicContact SD-CE2 4.39Å; F239-Y241 HydrophobicContact CB-CE2 4.39Å; F239-Y241 WeakPolarHBondContact O-CD2 3.26Å; F239-Y241 WeakPolarHBondContact O-CE2 3.38Å; Y241-Y312 WeakPolarHBondContact CD1-OH 3.17Å; Y241-V314 HydrophobicContact CD1-CB 4.46Å; Y241-V314 HydrophobicContact CD1-CG1 3.96Å; Y241-V314 HydrophobicContact CD1-CG2 3.85Å; Y241-V314 HydrophobicContact CE1-CG1 3.79Å; Y241-V314 HydrophobicContact CE1-CG2 4.22Å |
| 242 | A | 97.1 | Very high | 93.9 | Very high | 19 Ų | 19 | 66.4 Ų | 66.4 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 150.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y312 I313 I320 | A242-Y312 CarbonylContact O-C 3.48Å; A242-Y312 WeakPolarHBondContact O-CA 3.37Å; A242-Y312 WeakPolarHBondContact O-CD2 3.39Å; A242-I313 PolarHBondContact N-O 3.4Å; A242-I313 PolarHBondContact O-N 2.77Å; A242-I320 HydrophobicContact CB-CD1 3.86Å; A242-I320 HydrophobicContact CB-CG1 4.24Å |
| 243 | A | 97.9 | Very high | 93.8 | Very high | 24 Ų | 24 | 62 Ų | 62 | 20% | 0.198 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 129.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | V139 L143 F299 V311 Y312 | V139-A243 HydrophobicContact CG1-CB 3.46Å; V139-A243 VanDerWaalsContact CG1-CB 3.46Å; L143-A243 HydrophobicContact CD2-CB 3.87Å; A243-F299 HydrophobicContact CB-CE1 4.23Å; A243-F299 HydrophobicContact CB-CZ 4.42Å; A243-V311 WeakPolarHBondContact CA-O 3.35Å; A243-Y312 HydrophobicContact CB-CD2 4.43Å |
| 244 | V | 97.4 | Very high | 93.6 | Very high | 36 Ų | 36 | 57.3 Ų | 57.3 | 22% | 0.218 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 122 | 173.1 | -177.1 | 0 | 0 | 0 | 0 | 107.8 | G310 V311 I324 W331 | V244-G310 CarbonylContact O-C 3.44Å; V244-G310 WeakPolarHBondContact O-CA 3.48Å; V244-V311 PolarHBondContact N-O 2.7Å; V244-V311 PolarHBondContact O-N 2.81Å; V244-I324 HydrophobicContact CG2-CD1 3.94Å; V244-I324 HydrophobicContact CG2-CG1 3.9Å; V244-I324 HydrophobicContact CG2-CG2 4.29Å; V244-W331 HydrophobicContact CG1-CH2 3.97Å; V244-W331 HydrophobicContact CG1-CZ3 4.42Å |
| 245 | A | 97.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 57.8 Ų | 57.8 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 154.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L143 F299 L308 W309 | L143-A245 HydrophobicContact CD1-CB 3.93Å; L143-A245 HydrophobicContact CD2-CB 4.02Å; L143-A245 HydrophobicContact CG-CB 4.49Å; A245-F299 HydrophobicContact CB-CE2 4.05Å; A245-F299 HydrophobicContact CB-CZ 3.87Å; A245-L308 HydrophobicContact CB-CB 4.35Å; A245-L308 HydrophobicContact CB-CD2 4.32Å; A245-W309 CarbonylContact C-O 3.54Å; A245-W309 VanDerWaalsContact CA-O 3.3Å; A245-W309 WeakPolarHBondContact CA-O 3.41Å |
| 246 | V | 96.5 | Very high | 93.6 | Very high | 20 Ų | 20 | 52.1 Ų | 52.1 | 12% | 0.121 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 161.9 | 165.9 | -64.8 | 0 | 0 | 0 | 0 | 109.8 | A248 W309 W331 I396 | V246-A248 PolarHBondContact O-N 3.23Å; V246-W309 HydrophobicContact CG2-CE3 4.03Å; V246-W309 PolarHBondContact N-O 3.41Å; V246-W309 PolarHBondContact O-N 3.32Å; V246-W309 VanDerWaalsContact O-N 3.1Å; V246-W331 HydrophobicContact CG1-CH2 4.42Å; V246-W331 HydrophobicContact CG1-CZ3 3.86Å; V246-I396 HydrophobicContact CG2-CG2 4.04Å |
| 247 | E | 96.5 | Very high | 93.6 | Very high | 106 Ų | 106 | 48.3 Ų | 48.3 | 50% | 0.495 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 123.7 | 170.1 | -169.3 | 168.7 | -149.3 | 0 | 0 | 109.7 | F225 | F225-E247 HydrophobicContact CB-CB 3.82Å; F225-E247 HydrophobicContact CB-CG 3.75Å; F225-E247 WeakPolarHBondContact CB-OE1 3.47Å; F225-E247 HydrophobicContact CD1-CB 3.85Å; F225-E247 HydrophobicContact CD2-CB 3.81Å; F225-E247 HydrophobicContact CD2-CG 4.33Å; F225-E247 HydrophobicContact CE1-CB 4.34Å; F225-E247 HydrophobicContact CE2-CB 4.3Å; F225-E247 HydrophobicContact CG-CB 3.55Å; F225-E247 HydrophobicContact CG-CG 4.04Å |
| 248 | A | 95.3 | Very high | 93.6 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 7% | 0.066 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -162.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | V246 L259 G307 W309 | V246-A248 PolarHBondContact O-N 3.23Å; A248-L259 HydrophobicContact CB-CD1 4.06Å; A248-G307 VanDerWaalsContact CB-C 3.49Å; A248-G307 PolarHBondContact N-O 2.83Å; A248-W309 HydrophobicContact CB-CB 3.71Å |
| 249 | V | 93.9 | Very high | 93.7 | Very high | 25 Ų | 25 | 41.6 Ų | 41.6 | 15% | 0.152 | 23% | 0.229 | C | C | . | . | trans | -116.2 | 159.7 | -176.9 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | N253 D255 N256 L259 | V249-N253 HydrophobicContact CB-CB 3.6Å; V249-N253 HydrophobicContact CG1-CB 4.36Å; V249-N253 HydrophobicContact CG2-CB 3.68Å; V249-D255 HydrophobicContact CG1-CB 4.2Å; V249-D255 HydrophobicContact CG2-CB 4.22Å; V249-N256 HydrophobicContact CG2-CB 3.89Å; V249-L259 HydrophobicContact CG2-CD1 4.03Å | ||
| 250 | G | 92.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | trans | -69.1 | 167.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D252 N253 Y303 | G250-D252 VanDerWaalsContact C-N 3.26Å; G250-D252 PolarHBondContact O-N 3.46Å; G250-N253 WeakPolarHBondContact O-CB 3.4Å; G250-N253 PolarHBondContact O-N 2.81Å; G250-Y303 CarbonylContact C-O 3.43Å; G250-Y303 WeakPolarHBondContact CA-O 3.49Å | ||
| 251 | W | 88.9 | Confident | 93.5 | Very high | 50 Ų | 50 | 38.5 Ų | 38.5 | 19% | 0.189 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -39.9 | -177.8 | -73.3 | 106.6 | 0 | 0 | 0 | 114.1 | N253 C302 Y303 C374 Y375 | W251-N253 VanDerWaalsContact C-N 3.31Å; W251-C302 HydrophobicContact CD2-CB 3.67Å; W251-C302 HydrophobicContact CE3-CB 3.98Å; W251-C302 HydrophobicContact CG-CB 4.18Å; W251-C302 HydrophobicContact CH2-CB 4.01Å; W251-C302 HydrophobicContact CZ2-CB 3.7Å; W251-C302 WeakPolarHBondContact CZ2-O 3.23Å; W251-C302 HydrophobicContact CZ3-CB 4.14Å; W251-C302 PolarHBondContact NE1-O 2.67Å; W251-Y303 VanDerWaalsContact CD1-C 3.49Å; W251-Y303 PolarHBondContact N-O 3.34Å; W251-C374 HydrophobicContact CB-CB 4.12Å; W251-C374 VanDerWaalsContact CD1-SG 3.53Å; W251-C374 HydrophobicContact CG-CB 3.97Å; W251-Y375 HydrophobicContact CB-CE1 3.99Å; W251-Y375 WeakPolarHBondContact O-CE1 3.25Å; W251-Y375 VanDerWaalsContact O-CZ 3.3Å; W251-Y375 PolarHBondContact O-OH 2.92Å |
| 252 | D | 86.4 | Confident | 93.3 | Very high | 121 Ų | 121 | 35.6 Ų | 35.6 | 65% | 0.647 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | -11.8 | -174.5 | 68.2 | -17.8 | 0 | 0 | 0 | 114.1 | G250 | G250-D252 VanDerWaalsContact C-N 3.26Å; G250-D252 PolarHBondContact O-N 3.46Å |
| 253 | N | 90.7 | Very high | 93.2 | Very high | 54 Ų | 54 | 36.1 Ų | 36.1 | 29% | 0.289 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -77.3 | 131.1 | -178 | -171.8 | -44.5 | 0 | 0 | 0 | 111 | V249 G250 W251 D255 N256 | V249-N253 HydrophobicContact CB-CB 3.6Å; V249-N253 HydrophobicContact CG1-CB 4.36Å; V249-N253 HydrophobicContact CG2-CB 3.68Å; G250-N253 WeakPolarHBondContact O-CB 3.4Å; G250-N253 PolarHBondContact O-N 2.81Å; W251-N253 VanDerWaalsContact C-N 3.31Å; N253-D255 PolarHBondContact O-N 2.85Å; N253-D255 VanDerWaalsContact O-N 3.16Å; N253-D255 WeakPolarHBondContact OD1-CB 3.46Å; N253-D255 PolarHBondContact OD1-N 3.16Å; N253-N256 VanDerWaalsContact O-CB 3.27Å; N253-N256 WeakPolarHBondContact O-CB 3.02Å; N253-N256 PolarHBondContact O-N 3.23Å; N253-N256 VanDerWaalsContact O-N 3.09Å |
| 254 | P | 88.1 | Confident | 93 | Very high | 92 Ų | 92 | 35.9 Ų | 35.9 | 60% | 0.597 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -26.3 | 178.5 | 24.2 | -35.4 | 0 | 0 | 0 | 114.3 | N256 P258 | P254-N256 PolarHBondContact O-N 3.22Å; P254-P258 VanDerWaalsContact O-CD 3.27Å; P254-P258 WeakPolarHBondContact O-CD 2.95Å |
| 255 | D | 91 | Very high | 92.7 | Very high | 90 Ų | 90 | 35 Ų | 35 | 48% | 0.481 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -10.6 | 178.9 | -66.8 | -21.5 | 0 | 0 | 0 | 113.2 | V249 N253 I257 P258 L259 | V249-D255 HydrophobicContact CG1-CB 4.2Å; V249-D255 HydrophobicContact CG2-CB 4.22Å; N253-D255 PolarHBondContact O-N 2.85Å; N253-D255 VanDerWaalsContact O-N 3.16Å; N253-D255 WeakPolarHBondContact OD1-CB 3.46Å; N253-D255 PolarHBondContact OD1-N 3.16Å; D255-I257 VanDerWaalsContact C-N 3.33Å; D255-I257 PolarHBondContact O-N 2.74Å; D255-P258 VanDerWaalsContact O-CD 3.31Å; D255-P258 WeakPolarHBondContact O-CD 3.22Å; D255-L259 WeakPolarHBondContact O-CG 3.12Å; D255-L259 PolarHBondContact O-N 3.31Å; D255-L259 VanDerWaalsContact O-N 3.14Å |
| 256 | N | 91.7 | Very high | 92.5 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.9 | -41.3 | 176.1 | -174.6 | 23.4 | 0 | 0 | 0 | 111.8 | V249 N253 P254 L259 M260 N300 C302 | V249-N256 HydrophobicContact CG2-CB 3.89Å; N253-N256 VanDerWaalsContact O-CB 3.27Å; N253-N256 WeakPolarHBondContact O-CB 3.02Å; N253-N256 PolarHBondContact O-N 3.23Å; N253-N256 VanDerWaalsContact O-N 3.09Å; P254-N256 PolarHBondContact O-N 3.22Å; N256-L259 PolarHBondContact O-N 3.01Å; N256-M260 VanDerWaalsContact O-CG 3.27Å; N256-M260 WeakPolarHBondContact O-CG 3.49Å; N256-M260 PolarHBondContact O-N 3.26Å; N256-N300 PolarHBondContact OD1-ND2 3.03Å; N256-C302 PolarHBondContact OD1-SG 3.11Å |
| 257 | I | 91.3 | Very high | 92.3 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 8% | 0.077 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.3 | -49.5 | -179.8 | -58.5 | -61.6 | 0 | 0 | 0 | 111.8 | D255 L259 M260 I261 L384 R387 I388 F392 | D255-I257 VanDerWaalsContact C-N 3.33Å; D255-I257 PolarHBondContact O-N 2.74Å; I257-L259 VanDerWaalsContact C-N 3.27Å; I257-L259 PolarHBondContact O-N 3.03Å; I257-M260 HydrophobicContact CD1-SD 4.1Å; I257-M260 WeakPolarHBondContact O-CB 3.23Å; I257-M260 PolarHBondContact O-N 2.9Å; I257-M260 VanDerWaalsContact O-N 3.15Å; I257-I261 HydrophobicContact CG2-CD1 4.19Å; I257-I261 WeakPolarHBondContact O-CG1 3.48Å; I257-I261 PolarHBondContact O-N 3.44Å; I257-L384 HydrophobicContact CD1-CD1 4.12Å; I257-R387 HydrophobicContact CG1-CB 4.44Å; I257-I388 HydrophobicContact CG2-CG1 4.03Å; I257-F392 HydrophobicContact CB-CZ 4.23Å; I257-F392 HydrophobicContact CG2-CE2 3.89Å; I257-F392 HydrophobicContact CG2-CZ 3.94Å |
| 258 | P | 93 | Very high | 92.1 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 4% | 0.039 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -50 | -44 | 168.9 | -28.7 | 31.6 | 0 | 0 | 0 | 114.1 | P254 D255 I261 A262 F392 I394 | P254-P258 VanDerWaalsContact O-CD 3.27Å; P254-P258 WeakPolarHBondContact O-CD 2.95Å; D255-P258 VanDerWaalsContact O-CD 3.31Å; D255-P258 WeakPolarHBondContact O-CD 3.22Å; P258-I261 PolarHBondContact O-N 3.14Å; P258-A262 WeakPolarHBondContact O-CB 3.46Å; P258-A262 PolarHBondContact O-N 2.7Å; P258-F392 HydrophobicContact CB-CB 4.31Å; P258-F392 HydrophobicContact CB-CG 4.48Å; P258-F392 HydrophobicContact CG-CB 3.81Å; P258-F392 HydrophobicContact CG-CD1 3.53Å; P258-F392 HydrophobicContact CG-CD2 4.2Å; P258-F392 HydrophobicContact CG-CE1 4.02Å; P258-F392 HydrophobicContact CG-CG 3.6Å; P258-I394 HydrophobicContact CB-CG1 4.17Å |
| 259 | L | 94.3 | Very high | 92 | Very high | 18 Ų | 18 | 36.4 Ų | 36.4 | 9% | 0.094 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.5 | -35.1 | 179.3 | -70.5 | 173.6 | 0 | 0 | 0 | 112.7 | A248 V249 D255 N256 I257 A262 N263 W309 | A248-L259 HydrophobicContact CB-CD1 4.06Å; V249-L259 HydrophobicContact CG2-CD1 4.03Å; D255-L259 WeakPolarHBondContact O-CG 3.12Å; D255-L259 PolarHBondContact O-N 3.31Å; D255-L259 VanDerWaalsContact O-N 3.14Å; N256-L259 PolarHBondContact O-N 3.01Å; I257-L259 VanDerWaalsContact C-N 3.27Å; I257-L259 PolarHBondContact O-N 3.03Å; L259-A262 PolarHBondContact O-N 2.81Å; L259-N263 VanDerWaalsContact O-CB 3.23Å; L259-N263 WeakPolarHBondContact O-CB 3.37Å; L259-N263 PolarHBondContact O-N 2.78Å; L259-W309 HydrophobicContact CD2-CD2 4.42Å; L259-W309 HydrophobicContact CD2-CG 4.19Å; L259-W309 PolarHBondContact O-NE1 3.07Å; L259-W309 VanDerWaalsContact O-NE1 3.07Å |
| 260 | M | 93.7 | Very high | 91.8 | Very high | 35 Ų | 35 | 37.6 Ų | 37.6 | 17% | 0.172 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65 | -39.8 | 172.4 | -69.3 | 173.9 | 71.3 | 0 | 0 | 111.8 | N256 I257 T264 L350 M354 | N256-M260 VanDerWaalsContact O-CG 3.27Å; N256-M260 WeakPolarHBondContact O-CG 3.49Å; N256-M260 PolarHBondContact O-N 3.26Å; I257-M260 HydrophobicContact CD1-SD 4.1Å; I257-M260 WeakPolarHBondContact O-CB 3.23Å; I257-M260 PolarHBondContact O-N 2.9Å; I257-M260 VanDerWaalsContact O-N 3.15Å; M260-T264 WeakPolarHBondContact O-CB 3.37Å; M260-T264 PolarHBondContact O-N 3.46Å; M260-T264 PolarHBondContact O-OG1 2.92Å; M260-L350 HydrophobicContact CB-CD1 4.2Å; M260-L350 HydrophobicContact CB-CD2 3.86Å; M260-L350 HydrophobicContact CE-CD1 4.08Å; M260-M354 HydrophobicContact CE-CE 3.43Å; M260-M354 VanDerWaalsContact CE-CE 3.43Å; M260-M354 HydrophobicContact CE-SD 4Å |
| 261 | I | 93.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.8 | -49.2 | 174.5 | -64 | 165.1 | 0 | 0 | 0 | 109.7 | I257 P258 N263 T264 L265 K347 L350 I388 F392 | I257-I261 HydrophobicContact CG2-CD1 4.19Å; I257-I261 WeakPolarHBondContact O-CG1 3.48Å; I257-I261 PolarHBondContact O-N 3.44Å; P258-I261 PolarHBondContact O-N 3.14Å; I261-N263 VanDerWaalsContact C-N 3.32Å; I261-N263 PolarHBondContact O-N 3.17Å; I261-T264 WeakPolarHBondContact O-CB 3.32Å; I261-T264 PolarHBondContact O-N 3.36Å; I261-T264 VanDerWaalsContact O-N 3.13Å; I261-L265 HydrophobicContact CG2-CD1 4.13Å; I261-L265 WeakPolarHBondContact O-CG 3.32Å; I261-L265 PolarHBondContact O-N 2.98Å; I261-K347 HydrophobicContact CD1-CG 3.85Å; I261-K347 HydrophobicContact CG1-CG 4.41Å; I261-L350 HydrophobicContact CG1-CD2 3.67Å; I261-I388 HydrophobicContact CD1-CG2 4.48Å; I261-F392 HydrophobicContact CD1-CD2 4.21Å; I261-F392 HydrophobicContact CD1-CE2 4.3Å |
| 262 | A | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.6 | -44.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P258 L259 T264 L265 I266 W309 I334 I394 | P258-A262 WeakPolarHBondContact O-CB 3.46Å; P258-A262 PolarHBondContact O-N 2.7Å; L259-A262 PolarHBondContact O-N 2.81Å; A262-T264 VanDerWaalsContact C-N 3.33Å; A262-T264 PolarHBondContact O-N 3.07Å; A262-L265 PolarHBondContact O-N 3.31Å; A262-I266 PolarHBondContact O-N 2.89Å; A262-W309 HydrophobicContact CB-CZ2 3.85Å; A262-I334 HydrophobicContact CB-CG2 4.13Å; A262-I394 HydrophobicContact CB-CD1 4.28Å; A262-I394 HydrophobicContact CB-CG2 4.16Å |
| 263 | N | 94.4 | Very high | 91 | Very high | 30 Ų | 30 | 45.4 Ų | 45.4 | 16% | 0.16 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 175.8 | -173.5 | 78.9 | 0 | 0 | 0 | 111.6 | L259 I261 L265 I266 G267 A298 F299 N300 | L259-N263 VanDerWaalsContact O-CB 3.23Å; L259-N263 WeakPolarHBondContact O-CB 3.37Å; L259-N263 PolarHBondContact O-N 2.78Å; I261-N263 VanDerWaalsContact C-N 3.32Å; I261-N263 PolarHBondContact O-N 3.17Å; N263-L265 VanDerWaalsContact C-N 3.3Å; N263-L265 PolarHBondContact O-N 2.94Å; N263-I266 PolarHBondContact O-N 3.25Å; N263-G267 PolarHBondContact O-N 3.2Å; N263-A298 VanDerWaalsContact OD1-CB 3.23Å; N263-A298 WeakPolarHBondContact OD1-CB 3.46Å; N263-A298 PolarHBondContact OD1-O 2.88Å; N263-F299 WeakPolarHBondContact OD1-CA 3.42Å; N263-F299 PolarHBondContact OD1-N 2.86Å; N263-F299 PolarHBondContact OD1-O 3.25Å; N263-N300 HydrophobicContact CB-CB 4.35Å |
| 264 | T | 92.8 | Very high | 89.8 | Confident | 20 Ų | 20 | 47.2 Ų | 47.2 | 12% | 0.123 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.7 | -34.6 | 179.4 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | M260 I261 A262 L349 L350 | M260-T264 WeakPolarHBondContact O-CB 3.37Å; M260-T264 PolarHBondContact O-N 3.46Å; M260-T264 PolarHBondContact O-OG1 2.92Å; I261-T264 WeakPolarHBondContact O-CB 3.32Å; I261-T264 PolarHBondContact O-N 3.36Å; I261-T264 VanDerWaalsContact O-N 3.13Å; A262-T264 VanDerWaalsContact C-N 3.33Å; A262-T264 PolarHBondContact O-N 3.07Å; T264-L349 HydrophobicContact CG2-CB 3.52Å; T264-L350 HydrophobicContact CG2-CB 4.39Å |
| 265 | L | 92.6 | Very high | 88.6 | Confident | 17 Ų | 17 | 45.3 Ų | 45.3 | 9% | 0.089 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.6 | -40.7 | 177.3 | -74 | 166.3 | 0 | 0 | 0 | 112.9 | I261 A262 N263 I338 E342 | I261-L265 HydrophobicContact CG2-CD1 4.13Å; I261-L265 WeakPolarHBondContact O-CG 3.32Å; I261-L265 PolarHBondContact O-N 2.98Å; A262-L265 PolarHBondContact O-N 3.31Å; N263-L265 VanDerWaalsContact C-N 3.3Å; N263-L265 PolarHBondContact O-N 2.94Å; L265-I338 HydrophobicContact CD1-CD1 3.45Å; L265-I338 VanDerWaalsContact CD1-CD1 3.45Å; L265-E342 WeakPolarHBondContact CD2-O 3.32Å |
| 266 | I | 93.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.8 | -49.2 | 173.4 | -61.2 | 172.6 | 0 | 0 | 0 | 109.2 | A262 N263 S281 L283 F296 A298 W309 V311 E330 I334 | A262-I266 PolarHBondContact O-N 2.89Å; N263-I266 PolarHBondContact O-N 3.25Å; I266-S281 WeakPolarHBondContact O-CB 3.48Å; I266-S281 PolarHBondContact O-OG 3.18Å; I266-L283 HydrophobicContact CG2-CD2 3.92Å; I266-F296 HydrophobicContact CG2-CD2 4.49Å; I266-F296 HydrophobicContact CG2-CE2 4.09Å; I266-A298 HydrophobicContact CB-CB 3.85Å; I266-A298 HydrophobicContact CG2-CB 3.77Å; I266-W309 HydrophobicContact CD1-CH2 3.46Å; I266-W309 VanDerWaalsContact CD1-CH2 3.46Å; I266-W309 HydrophobicContact CD1-CZ2 3.58Å; I266-V311 HydrophobicContact CG2-CG2 4.22Å; I266-E330 HydrophobicContact CG1-CG 4.2Å; I266-I334 HydrophobicContact CD1-CD1 3.97Å; I266-I334 HydrophobicContact CG1-CD1 3.63Å |
| 267 | G | 91.9 | Very high | 85.7 | Confident | 23 Ų | 23 | 43.9 Ų | 43.9 | 24% | 0.237 | 26% | 0.262 | C | S | . | . | trans | 67.6 | -150.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | N263 A298 | N263-G267 PolarHBondContact O-N 3.2Å; G267-A298 VanDerWaalsContact O-CB 3.27Å; G267-A298 WeakPolarHBondContact O-CB 3.4Å; G267-A298 PolarHBondContact O-N 3.09Å | ||
| 268 | Q | 92 | Very high | 84.2 | Confident | 145 Ų | 145 | 49.8 Ų | 49.8 | 68% | 0.678 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 149.1 | 176.8 | 65.3 | -173.7 | -9.8 | 0 | 0 | 109.6 | F296 Q297 | Q268-F296 CarbonylContact C-O 3.48Å; Q268-F296 VanDerWaalsContact CA-O 3.3Å; Q268-F296 WeakPolarHBondContact CA-O 3.49Å; Q268-Q297 HydrophobicContact CB-CB 4.31Å; Q268-Q297 HydrophobicContact CB-CG 4.16Å |
| 269 | W | 92.1 | Very high | 82.9 | Confident | 14 Ų | 14 | 49.9 Ų | 49.9 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 142.8 | 178.5 | 177.6 | 79.7 | 0 | 0 | 0 | 109.7 | R271 G276 A284 V287 C293 S295 F296 | W269-R271 HydrophobicContact CH2-CB 3.76Å; W269-R271 HydrophobicContact CH2-CG 4.49Å; W269-R271 HydrophobicContact CZ2-CB 4.15Å; W269-R271 HydrophobicContact CZ3-CB 4.31Å; W269-G276 PolarHBondContact NE1-O 3.44Å; W269-A284 HydrophobicContact CB-CB 3.91Å; W269-A284 HydrophobicContact CD2-CB 4.35Å; W269-A284 HydrophobicContact CG-CB 3.66Å; W269-V287 HydrophobicContact CE3-CG2 3.99Å; W269-V287 HydrophobicContact CZ3-CG2 4Å; W269-C293 HydrophobicContact CZ3-CB 4.26Å; W269-S295 CarbonylContact O-C 3.58Å; W269-S295 WeakPolarHBondContact O-CA 3.47Å; W269-S295 VanDerWaalsContact O-CB 3.24Å; W269-S295 WeakPolarHBondContact O-CB 3.27Å; W269-F296 HydrophobicContact CB-CD1 3.88Å; W269-F296 HydrophobicContact CB-CE1 3.35Å; W269-F296 HydrophobicContact CB-CE2 4.05Å; W269-F296 HydrophobicContact CB-CG 4.45Å; W269-F296 HydrophobicContact CB-CZ 3.45Å; W269-F296 VanDerWaalsContact CB-CZ 3.45Å; W269-F296 HydrophobicContact CD2-CE1 4.21Å; W269-F296 AromaticContact CE3-CD1 3.98Å; W269-F296 HydrophobicContact CE3-CD1 3.98Å; W269-F296 HydrophobicContact CE3-CE1 4.06Å; W269-F296 AromaticContact CG-CE1 3.97Å; W269-F296 HydrophobicContact CG-CE1 3.97Å; W269-F296 HydrophobicContact CG-CZ 4.39Å; W269-F296 PolarHBondContact N-O 2.95Å; W269-F296 PolarHBondContact O-N 3.24Å |
| 270 | D | 91 | Very high | 81.9 | Confident | 50 Ų | 50 | 53.7 Ų | 53.7 | 27% | 0.267 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 130.6 | 176.4 | 169 | -26.3 | 0 | 0 | 0 | 107.8 | T272 F273 | D270-T272 PolarHBondContact O-N 3.32Å; D270-T272 VanDerWaalsContact O-N 3.17Å; D270-T272 WeakPolarHBondContact OD1-CB 3.5Å; D270-T272 PolarHBondContact OD1-N 2.9Å; D270-T272 PolarHBondContact OD1-OG1 2.93Å; D270-F273 HydrophobicContact CB-CD2 3.41Å; D270-F273 VanDerWaalsContact CB-CD2 3.41Å; D270-F273 HydrophobicContact CB-CE2 3.74Å; D270-F273 VanDerWaalsContact CG-CD2 3.46Å; D270-F273 PolarHBondContact O-N 3.44Å; D270-F273 WeakPolarHBondContact OD2-CE2 3.46Å |
| 271 | R | 86.8 | Confident | 81.4 | Confident | 79 Ų | 79 | 52.5 Ų | 52.5 | 30% | 0.298 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -25.1 | -175.3 | 175.2 | 166.9 | -89.2 | 161 | -6.5 | 113.4 | W269 F273 G290 C293 Q294 | W269-R271 HydrophobicContact CH2-CB 3.76Å; W269-R271 HydrophobicContact CH2-CG 4.49Å; W269-R271 HydrophobicContact CZ2-CB 4.15Å; W269-R271 HydrophobicContact CZ3-CB 4.31Å; R271-F273 VanDerWaalsContact C-N 3.35Å; R271-G290 PolarHBondContact NH2-O 2.88Å; R271-C293 PolarHBondContact NH1-O 3.31Å; R271-Q294 VanDerWaalsContact CB-O 3.29Å; R271-Q294 WeakPolarHBondContact CB-O 3.29Å; R271-Q294 PolarHBondContact N-O 3.37Å |
| 272 | T | 85.4 | Confident | 81.2 | Confident | 121 Ų | 121 | 58.2 Ų | 58.2 | 74% | 0.742 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -17.3 | 178.3 | 68.6 | 0 | 0 | 0 | 0 | 113.1 | D270 | D270-T272 PolarHBondContact O-N 3.32Å; D270-T272 VanDerWaalsContact O-N 3.17Å; D270-T272 WeakPolarHBondContact OD1-CB 3.5Å; D270-T272 PolarHBondContact OD1-N 2.9Å; D270-T272 PolarHBondContact OD1-OG1 2.93Å |
| 273 | F | 78.6 | Confident | 81 | Confident | 139 Ų | 139 | 58.3 Ų | 58.3 | 61% | 0.61 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -81.6 | 142.5 | 178.9 | -73.6 | -97.5 | 0 | 0 | 0 | 111.9 | D270 R271 A275 G276 | D270-F273 HydrophobicContact CB-CD2 3.41Å; D270-F273 VanDerWaalsContact CB-CD2 3.41Å; D270-F273 HydrophobicContact CB-CE2 3.74Å; D270-F273 VanDerWaalsContact CG-CD2 3.46Å; D270-F273 PolarHBondContact O-N 3.44Å; D270-F273 WeakPolarHBondContact OD2-CE2 3.46Å; R271-F273 VanDerWaalsContact C-N 3.35Å; F273-A275 PolarHBondContact O-N 3.13Å; F273-G276 PolarHBondContact O-N 2.97Å |
| 274 | G | 64.5 | Low | 80.8 | Confident | 91 Ų | 91 | 56.9 Ų | 56.9 | 94% | 0.938 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -10.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | G276 | G274-G276 PolarHBondContact O-N 2.63Š|
| 275 | A | 63.4 | Low | 80.6 | Confident | 52 Ų | 52 | 58.8 Ų | 58.8 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -27.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F273 V277 N278 A279 | F273-A275 PolarHBondContact O-N 3.13Å; A275-V277 PolarHBondContact O-N 3.05Å; A275-N278 WeakPolarHBondContact O-CA 3.49Å; A275-N278 PolarHBondContact O-N 2.88Å; A275-A279 HydrophobicContact CB-CB 4.44Å |
| 276 | G | 62 | Low | 80.4 | Confident | 24 Ų | 24 | 60.9 Ų | 60.9 | 25% | 0.247 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | 45.8 | -130.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | W269 F273 G274 N278 | W269-G276 PolarHBondContact NE1-O 3.44Å; F273-G276 PolarHBondContact O-N 2.97Å; G274-G276 PolarHBondContact O-N 2.63Å; G276-N278 VanDerWaalsContact C-N 3.3Å; G276-N278 PolarHBondContact O-N 2.99Å |
| 277 | V | 59.3 | Low | 80.2 | Confident | 39 Ų | 39 | 61.1 Ų | 61.1 | 24% | 0.236 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -79 | -2.8 | 177.6 | -60.8 | 0 | 0 | 0 | 0 | 114.9 | A275 N285 G288 W289 | A275-V277 PolarHBondContact O-N 3.05Å; V277-N285 PolarHBondContact O-OD1 3.07Å; V277-G288 WeakPolarHBondContact CG1-O 3.27Å; V277-W289 HydrophobicContact CB-CD2 4.48Å; V277-W289 HydrophobicContact CB-CZ2 4.24Å; V277-W289 HydrophobicContact CG1-CD2 4.33Å; V277-W289 HydrophobicContact CG1-CE3 4.45Å; V277-W289 HydrophobicContact CG2-CH2 3.97Å; V277-W289 HydrophobicContact CG2-CZ2 3.98Å; V277-W289 HydrophobicContact CG2-CZ3 4.39Å |
| 278 | N | 60.7 | Low | 79.9 | Confident | 139 Ų | 139 | 60.4 Ų | 60.4 | 74% | 0.743 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -100.5 | 25.8 | -178.1 | -64.3 | -44.8 | 0 | 0 | 0 | 112.2 | A275 G276 | A275-N278 WeakPolarHBondContact O-CA 3.49Å; A275-N278 PolarHBondContact O-N 2.88Å; G276-N278 VanDerWaalsContact C-N 3.3Å; G276-N278 PolarHBondContact O-N 2.99Å |
| 279 | A | 66.4 | Low | 79.3 | Confident | 9 Ų | 9 | 62.6 Ų | 62.6 | 7% | 0.074 | 35% | 0.35 | C | S | . | . | trans | -68.9 | 148.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | A275 S281 A284 N285 | A275-A279 HydrophobicContact CB-CB 4.44Å; A279-S281 PolarHBondContact O-N 3.4Å; A279-S281 VanDerWaalsContact O-N 3.1Å; A279-A284 HydrophobicContact CB-CB 3.53Å; A279-N285 PolarHBondContact O-ND2 3.15Å; A279-N285 PolarHBondContact O-OD1 2.83Å | ||
| 280 | P | 72.2 | Confident | 78.7 | Confident | 98 Ų | 98 | 63.5 Ų | 63.5 | 64% | 0.636 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -69.6 | -7.1 | -179.3 | 29.2 | -36.1 | 0 | 0 | 0 | 113.8 | R345 | P280-R345 PolarHBondContact O-NH1 2.97Š|
| 281 | S | 84 | Confident | 77.7 | Confident | 10 Ų | 10 | 68.7 Ų | 68.7 | 7% | 0.07 | 39% | 0.391 | C | S | . | . | trans | -88 | 131.2 | 179.8 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | I266 A279 L283 A284 N285 | I266-S281 WeakPolarHBondContact O-CB 3.48Å; I266-S281 PolarHBondContact O-OG 3.18Å; A279-S281 PolarHBondContact O-N 3.4Å; A279-S281 VanDerWaalsContact O-N 3.1Å; S281-L283 VanDerWaalsContact C-N 3.32Å; S281-L283 PolarHBondContact O-N 2.83Å; S281-L283 PolarHBondContact OG-N 3.49Å; S281-A284 WeakPolarHBondContact O-CB 3.3Å; S281-A284 PolarHBondContact O-N 3.1Å; S281-N285 PolarHBondContact O-N 3.46Å; S281-N285 VanDerWaalsContact O-N 3.08Å; S281-N285 PolarHBondContact O-ND2 2.78Å | ||
| 282 | R | 87.8 | Confident | 77.8 | Confident | 122 Ų | 122 | 65 Ų | 65 | 46% | 0.46 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.8 | -40.3 | 177.5 | 176 | -178.7 | 167.8 | 96.5 | 5.5 | 111.4 | A284 N285 V286 E330 | R282-A284 PolarHBondContact O-N 2.78Å; R282-N285 PolarHBondContact O-N 2.85Å; R282-V286 PolarHBondContact O-N 3.49Å; R282-E330 WeakPolarHBondContact CB-OE2 3.27Å; R282-E330 WeakPolarHBondContact CD-OE2 3.22Å; R282-E330 VanDerWaalsContact CG-OE2 3.24Å; R282-E330 WeakPolarHBondContact CG-OE2 3.46Å; R282-E330 IonicContact NE-OE2 3.58Å |
| 283 | L | 90.9 | Very high | 78.2 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.016 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 174.8 | -179.2 | 61.7 | 0 | 0 | 0 | 111.3 | I266 S281 N285 V286 V287 F296 H326 V327 E330 | I266-L283 HydrophobicContact CG2-CD2 3.92Å; S281-L283 VanDerWaalsContact C-N 3.32Å; S281-L283 PolarHBondContact O-N 2.83Å; S281-L283 PolarHBondContact OG-N 3.49Å; L283-N285 VanDerWaalsContact C-N 3.31Å; L283-N285 PolarHBondContact O-N 2.72Å; L283-V286 PolarHBondContact O-N 2.94Å; L283-V286 VanDerWaalsContact O-N 3.09Å; L283-V287 HydrophobicContact CD1-CG1 3.84Å; L283-V287 HydrophobicContact CG-CG1 4.35Å; L283-V287 WeakPolarHBondContact O-CG2 3.25Å; L283-V287 PolarHBondContact O-N 2.9Å; L283-F296 HydrophobicContact CB-CE1 4.36Å; L283-F296 HydrophobicContact CB-CZ 3.99Å; L283-F296 HydrophobicContact CD2-CD1 4.18Å; L283-F296 HydrophobicContact CD2-CD2 3.94Å; L283-F296 HydrophobicContact CD2-CE1 4Å; L283-F296 HydrophobicContact CD2-CE2 3.8Å; L283-F296 HydrophobicContact CD2-CG 4.14Å; L283-F296 HydrophobicContact CD2-CZ 3.82Å; L283-F296 HydrophobicContact CG-CD1 4.33Å; L283-F296 HydrophobicContact CG-CE1 3.83Å; L283-F296 HydrophobicContact CG-CE2 4.35Å; L283-F296 HydrophobicContact CG-CZ 3.85Å; L283-H326 HydrophobicContact CD1-CB 3.88Å; L283-V327 HydrophobicContact CD1-CG2 4.15Å; L283-V327 HydrophobicContact CD2-CG2 3.84Å; L283-E330 HydrophobicContact CB-CB 4.47Å; L283-E330 HydrophobicContact CB-CG 4.17Å |
| 284 | A | 90.1 | Very high | 78.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | W269 A279 S281 R282 V286 G288 F296 | W269-A284 HydrophobicContact CB-CB 3.91Å; W269-A284 HydrophobicContact CD2-CB 4.35Å; W269-A284 HydrophobicContact CG-CB 3.66Å; A279-A284 HydrophobicContact CB-CB 3.53Å; S281-A284 WeakPolarHBondContact O-CB 3.3Å; S281-A284 PolarHBondContact O-N 3.1Å; R282-A284 PolarHBondContact O-N 2.78Å; A284-V286 VanDerWaalsContact C-N 3.31Å; A284-V286 PolarHBondContact O-N 2.87Å; A284-G288 WeakPolarHBondContact O-CA 3.5Å; A284-G288 PolarHBondContact O-N 3.02Å; A284-F296 HydrophobicContact CB-CE1 4.02Å; A284-F296 HydrophobicContact CB-CZ 3.89Å |
| 285 | N | 88 | Confident | 80.3 | Confident | 60 Ų | 60 | 51.7 Ų | 51.7 | 32% | 0.321 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 174.8 | -70 | -34.3 | 0 | 0 | 0 | 111.2 | V277 A279 S281 R282 L283 W289 | V277-N285 PolarHBondContact O-OD1 3.07Å; A279-N285 PolarHBondContact O-ND2 3.15Å; A279-N285 PolarHBondContact O-OD1 2.83Å; S281-N285 PolarHBondContact O-N 3.46Å; S281-N285 VanDerWaalsContact O-N 3.08Å; S281-N285 PolarHBondContact O-ND2 2.78Å; R282-N285 PolarHBondContact O-N 2.85Å; L283-N285 VanDerWaalsContact C-N 3.31Å; L283-N285 PolarHBondContact O-N 2.72Å; N285-W289 PolarHBondContact O-NE1 3.46Å |
| 286 | V | 88.2 | Confident | 81.8 | Confident | 60 Ų | 60 | 49.5 Ų | 49.5 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -73 | -49.5 | -178.1 | 179.2 | 0 | 0 | 0 | 0 | 111.8 | R282 L283 A284 H326 | R282-V286 PolarHBondContact O-N 3.49Å; L283-V286 PolarHBondContact O-N 2.94Å; L283-V286 VanDerWaalsContact O-N 3.09Å; A284-V286 VanDerWaalsContact C-N 3.31Å; A284-V286 PolarHBondContact O-N 2.87Å; V286-H326 HydrophobicContact CG1-CB 4.38Å; V286-H326 VanDerWaalsContact CG1-CE1 3.42Å; V286-H326 WeakPolarHBondContact CG1-CE1 3.34Å; V286-H326 WeakPolarHBondContact CG1-ND1 3.32Å |
| 287 | V | 89.4 | Confident | 83.4 | Confident | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -75.3 | -25.4 | -175.8 | -55.2 | 0 | 0 | 0 | 0 | 112.9 | W269 L283 W289 G290 C293 F296 V323 H326 | W269-V287 HydrophobicContact CE3-CG2 3.99Å; W269-V287 HydrophobicContact CZ3-CG2 4Å; L283-V287 HydrophobicContact CD1-CG1 3.84Å; L283-V287 HydrophobicContact CG-CG1 4.35Å; L283-V287 WeakPolarHBondContact O-CG2 3.25Å; L283-V287 PolarHBondContact O-N 2.9Å; V287-W289 VanDerWaalsContact C-N 3.34Å; V287-W289 PolarHBondContact O-N 3.12Å; V287-G290 PolarHBondContact O-N 3.11Å; V287-C293 HydrophobicContact CB-CB 3.86Å; V287-C293 HydrophobicContact CG2-CB 4.2Å; V287-F296 HydrophobicContact CG2-CD1 3.95Å; V287-F296 HydrophobicContact CG2-CE1 3.73Å; V287-V323 HydrophobicContact CG1-CG1 4.25Å; V287-H326 HydrophobicContact CG1-CB 4.2Å |
| 288 | G | 84.8 | Confident | 85.2 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 9% | 0.093 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.6 | -30.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V277 A284 | V277-G288 WeakPolarHBondContact CG1-O 3.27Å; A284-G288 WeakPolarHBondContact O-CA 3.5Å; A284-G288 PolarHBondContact O-N 3.02Å |
| 289 | W | 80.4 | Confident | 86.9 | Confident | 190 Ų | 190 | 44.4 Ų | 44.4 | 72% | 0.72 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -21.3 | 175.9 | -65.8 | 114.5 | 0 | 0 | 0 | 113.8 | V277 N285 V287 | V277-W289 HydrophobicContact CB-CD2 4.48Å; V277-W289 HydrophobicContact CB-CZ2 4.24Å; V277-W289 HydrophobicContact CG1-CD2 4.33Å; V277-W289 HydrophobicContact CG1-CE3 4.45Å; V277-W289 HydrophobicContact CG2-CH2 3.97Å; V277-W289 HydrophobicContact CG2-CZ2 3.98Å; V277-W289 HydrophobicContact CG2-CZ3 4.39Å; N285-W289 PolarHBondContact O-NE1 3.46Å; V287-W289 VanDerWaalsContact C-N 3.34Å; V287-W289 PolarHBondContact O-N 3.12Å |
| 290 | G | 78 | Confident | 88.3 | Confident | 33 Ų | 33 | 45.7 Ų | 45.7 | 34% | 0.34 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -86.4 | 148.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R271 V287 G292 | R271-G290 PolarHBondContact NH2-O 2.88Å; V287-G290 PolarHBondContact O-N 3.11Å; G290-G292 PolarHBondContact O-N 3.48Å |
| 291 | D | 71.2 | Confident | 89.4 | Confident | 159 Ų | 159 | 43 Ų | 43 | 85% | 0.85 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -81.2 | 84.2 | 174 | -64.2 | -32.3 | 0 | 0 | 0 | 109.3 | ||
| 292 | G | 88.4 | Confident | 89.9 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 169 | -22.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | G290 Q294 A315 D316 | G290-G292 PolarHBondContact O-N 3.48Å; G292-Q294 PolarHBondContact O-N 2.78Å; G292-A315 CarbonylContact O-C 3.49Å; G292-A315 WeakPolarHBondContact O-CA 3.33Å; G292-A315 WeakPolarHBondContact O-CB 3.45Å; G292-D316 WeakPolarHBondContact CA-OD2 3.42Å; G292-D316 PolarHBondContact O-N 3.1Å |
| 293 | C | 93.2 | Very high | 90.2 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.02 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 123.8 | 173.5 | -172 | 0 | 0 | 0 | 0 | 110.7 | W269 R271 V287 V323 | W269-C293 HydrophobicContact CZ3-CB 4.26Å; R271-C293 PolarHBondContact NH1-O 3.31Å; V287-C293 HydrophobicContact CB-CB 3.86Å; V287-C293 HydrophobicContact CG2-CB 4.2Å; C293-V323 HydrophobicContact CB-CG2 3.81Å |
| 294 | Q | 93.5 | Very high | 90.2 | Very high | 48 Ų | 48 | 40.7 Ų | 40.7 | 22% | 0.224 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -46.8 | 176.5 | -55 | -55.8 | -25.7 | 0 | 0 | 111.2 | F239 R271 G292 V314 D316 | F239-Q294 HydrophobicContact CD1-CG 3.77Å; F239-Q294 HydrophobicContact CE1-CG 3.57Å; F239-Q294 HydrophobicContact CE2-CG 4.38Å; F239-Q294 HydrophobicContact CG-CG 4.27Å; F239-Q294 HydrophobicContact CZ-CG 3.9Å; R271-Q294 VanDerWaalsContact CB-O 3.29Å; R271-Q294 WeakPolarHBondContact CB-O 3.29Å; R271-Q294 PolarHBondContact N-O 3.37Å; G292-Q294 PolarHBondContact O-N 2.78Å; Q294-V314 WeakPolarHBondContact CA-O 3.23Å; Q294-V314 HydrophobicContact CB-CB 4.32Å; Q294-V314 HydrophobicContact CB-CG1 4.15Å; Q294-V314 WeakPolarHBondContact CB-O 3.4Å; Q294-V314 HydrophobicContact CG-CG1 4.47Å; Q294-V314 PolarHBondContact N-O 3.11Å; Q294-D316 PolarHBondContact NE2-OD1 3.16Å |
| 295 | S | 94.3 | Very high | 90.2 | Very high | 22 Ų | 22 | 44.5 Ų | 44.5 | 15% | 0.154 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 161.4 | 175 | 65.5 | 0 | 0 | 0 | 0 | 112.1 | W269 V314 | W269-S295 CarbonylContact O-C 3.58Å; W269-S295 WeakPolarHBondContact O-CA 3.47Å; W269-S295 VanDerWaalsContact O-CB 3.24Å; W269-S295 WeakPolarHBondContact O-CB 3.27Å; S295-V314 PolarHBondContact N-O 2.97Å; S295-V314 VanDerWaalsContact N-O 3.11Å; S295-V314 PolarHBondContact O-N 2.86Å |
| 296 | F | 95 | Very high | 90.5 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 2% | 0.022 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 153.7 | 164.2 | 69.7 | -101.1 | 0 | 0 | 0 | 111.2 | I266 Q268 W269 L283 A284 V287 V311 Y312 I313 | I266-F296 HydrophobicContact CG2-CD2 4.49Å; I266-F296 HydrophobicContact CG2-CE2 4.09Å; Q268-F296 CarbonylContact C-O 3.48Å; Q268-F296 VanDerWaalsContact CA-O 3.3Å; Q268-F296 WeakPolarHBondContact CA-O 3.49Å; W269-F296 HydrophobicContact CB-CD1 3.88Å; W269-F296 HydrophobicContact CB-CE1 3.35Å; W269-F296 HydrophobicContact CB-CE2 4.05Å; W269-F296 HydrophobicContact CB-CG 4.45Å; W269-F296 HydrophobicContact CB-CZ 3.45Å; W269-F296 VanDerWaalsContact CB-CZ 3.45Å; W269-F296 HydrophobicContact CD2-CE1 4.21Å; W269-F296 AromaticContact CE3-CD1 3.98Å; W269-F296 HydrophobicContact CE3-CD1 3.98Å; W269-F296 HydrophobicContact CE3-CE1 4.06Å; W269-F296 AromaticContact CG-CE1 3.97Å; W269-F296 HydrophobicContact CG-CE1 3.97Å; W269-F296 HydrophobicContact CG-CZ 4.39Å; W269-F296 PolarHBondContact N-O 2.95Å; W269-F296 PolarHBondContact O-N 3.24Å; L283-F296 HydrophobicContact CB-CE1 4.36Å; L283-F296 HydrophobicContact CB-CZ 3.99Å; L283-F296 HydrophobicContact CD2-CD1 4.18Å; L283-F296 HydrophobicContact CD2-CD2 3.94Å; L283-F296 HydrophobicContact CD2-CE1 4Å; L283-F296 HydrophobicContact CD2-CE2 3.8Å; L283-F296 HydrophobicContact CD2-CG 4.14Å; L283-F296 HydrophobicContact CD2-CZ 3.82Å; L283-F296 HydrophobicContact CG-CD1 4.33Å; L283-F296 HydrophobicContact CG-CE1 3.83Å; L283-F296 HydrophobicContact CG-CE2 4.35Å; L283-F296 HydrophobicContact CG-CZ 3.85Å; A284-F296 HydrophobicContact CB-CE1 4.02Å; A284-F296 HydrophobicContact CB-CZ 3.89Å; V287-F296 HydrophobicContact CG2-CD1 3.95Å; V287-F296 HydrophobicContact CG2-CE1 3.73Å; F296-V311 HydrophobicContact CB-CG1 3.8Å; F296-V311 HydrophobicContact CD2-CG1 4.19Å; F296-V311 HydrophobicContact CG-CG1 4.35Å; F296-Y312 CarbonylContact C-O 3.5Å; F296-Y312 WeakPolarHBondContact CA-O 3.42Å; F296-Y312 WeakPolarHBondContact CB-O 3.38Å; F296-I313 HydrophobicContact CB-CG1 4.47Å |
| 297 | Q | 95.6 | Very high | 90.8 | Very high | 71 Ų | 71 | 38.9 Ų | 38.9 | 33% | 0.332 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 116.8 | 176.4 | -176.5 | -179.3 | -2.8 | 0 | 0 | 109.5 | Q136 Q268 V311 Y312 | Q136-Q297 VanDerWaalsContact NE2-OE1 3.14Å; Q268-Q297 HydrophobicContact CB-CB 4.31Å; Q268-Q297 HydrophobicContact CB-CG 4.16Å; Q297-V311 WeakPolarHBondContact O-CA 3.16Å; Q297-Y312 PolarHBondContact N-O 2.73Å; Q297-Y312 PolarHBondContact O-N 3.26Å |
| 298 | A | 96.3 | Very high | 91.2 | Very high | 9 Ų | 9 | 38.7 Ų | 38.7 | 7% | 0.074 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 137.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | N263 I266 G267 G310 | N263-A298 VanDerWaalsContact OD1-CB 3.23Å; N263-A298 WeakPolarHBondContact OD1-CB 3.46Å; N263-A298 PolarHBondContact OD1-O 2.88Å; I266-A298 HydrophobicContact CB-CB 3.85Å; I266-A298 HydrophobicContact CG2-CB 3.77Å; G267-A298 VanDerWaalsContact O-CB 3.27Å; G267-A298 WeakPolarHBondContact O-CB 3.4Å; G267-A298 PolarHBondContact O-N 3.09Å; A298-G310 WeakPolarHBondContact CA-O 3.35Å |
| 299 | F | 97.1 | Very high | 91.8 | Very high | 16 Ų | 16 | 38.3 Ų | 38.3 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 147 | 176 | 63.3 | -96.7 | 0 | 0 | 0 | 111.5 | F140 L143 A243 A245 N263 L308 W309 G310 V311 | F140-F299 AromaticContact CE1-CD1 3.77Å; F140-F299 HydrophobicContact CE1-CD1 3.77Å; F140-F299 AromaticContact CE1-CD2 3.91Å; F140-F299 HydrophobicContact CE1-CD2 3.91Å; F140-F299 AromaticContact CE1-CE1 3.8Å; F140-F299 HydrophobicContact CE1-CE1 3.8Å; F140-F299 AromaticContact CE1-CE2 3.97Å; F140-F299 HydrophobicContact CE1-CE2 3.97Å; F140-F299 AromaticContact CE1-CG 3.82Å; F140-F299 HydrophobicContact CE1-CG 3.82Å; F140-F299 AromaticContact CE1-CZ 3.9Å; F140-F299 HydrophobicContact CE1-CZ 3.9Å; F140-F299 HydrophobicContact CZ-CB 4.31Å; F140-F299 AromaticContact CZ-CD1 3.55Å; F140-F299 HydrophobicContact CZ-CD1 3.55Å; F140-F299 HydrophobicContact CZ-CD2 4.42Å; F140-F299 AromaticContact CZ-CE1 3.85Å; F140-F299 HydrophobicContact CZ-CE1 3.85Å; F140-F299 AromaticContact CZ-CG 3.85Å; F140-F299 HydrophobicContact CZ-CG 3.85Å; F140-F299 HydrophobicContact CZ-CZ 4.43Å; L143-F299 HydrophobicContact CD2-CE1 4.47Å; L143-F299 HydrophobicContact CD2-CE2 3.97Å; L143-F299 HydrophobicContact CD2-CZ 3.54Å; A243-F299 HydrophobicContact CB-CE1 4.23Å; A243-F299 HydrophobicContact CB-CZ 4.42Å; A245-F299 HydrophobicContact CB-CE2 4.05Å; A245-F299 HydrophobicContact CB-CZ 3.87Å; N263-F299 WeakPolarHBondContact OD1-CA 3.42Å; N263-F299 PolarHBondContact OD1-N 2.86Å; N263-F299 PolarHBondContact OD1-O 3.25Å; F299-L308 HydrophobicContact CE2-CB 4.12Å; F299-W309 WeakPolarHBondContact O-CA 3.26Å; F299-G310 VanDerWaalsContact CE1-C 3.44Å; F299-G310 PolarHBondContact N-O 2.99Å; F299-G310 PolarHBondContact O-N 3.49Å; F299-V311 VanDerWaalsContact CE1-C 3.45Å |
| 300 | N | 96.1 | Very high | 92.6 | Very high | 36 Ų | 36 | 29.2 Ų | 29.2 | 19% | 0.193 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 97.4 | 169.8 | -178.5 | 31.7 | 0 | 0 | 0 | 108.4 | N256 N263 | N256-N300 PolarHBondContact OD1-ND2 3.03Å; N263-N300 HydrophobicContact CB-CB 4.35Å |
| 301 | T | 95.6 | Very high | 93.5 | Very high | 41 Ų | 41 | 27.7 Ų | 27.7 | 25% | 0.252 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 106.7 | 179.5 | -57.1 | 0 | 0 | 0 | 0 | 108.9 | Y303 G307 L308 | T301-Y303 HydrophobicContact CG2-CE1 4.22Å; T301-Y303 HydrophobicContact CG2-CE2 3.87Å; T301-Y303 WeakPolarHBondContact CG2-OH 3.2Å; T301-G307 CarbonylContact O-C 3.59Å; T301-G307 WeakPolarHBondContact O-CA 3.41Å; T301-L308 PolarHBondContact N-O 3.44Å; T301-L308 PolarHBondContact O-N 3.19Å |
| 302 | C | 93.9 | Very high | 94.8 | Very high | 10 Ų | 10 | 20.8 Ų | 20.8 | 7% | 0.068 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 135.1 | 179 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | W251 N256 | W251-C302 HydrophobicContact CD2-CB 3.67Å; W251-C302 HydrophobicContact CE3-CB 3.98Å; W251-C302 HydrophobicContact CG-CB 4.18Å; W251-C302 HydrophobicContact CH2-CB 4.01Å; W251-C302 HydrophobicContact CZ2-CB 3.7Å; W251-C302 WeakPolarHBondContact CZ2-O 3.23Å; W251-C302 HydrophobicContact CZ3-CB 4.14Å; W251-C302 PolarHBondContact NE1-O 2.67Å; N256-C302 PolarHBondContact OD1-SG 3.11Å |
| 303 | Y | 94 | Very high | 95.2 | Very high | 19 Ų | 19 | 20.7 Ų | 20.7 | 8% | 0.075 | 11% | 0.106 | C | C | . | . | trans | -111.4 | -175.6 | 169.5 | -61.4 | -63.6 | 0 | 0 | 0 | 110 | R82 E83 H144 F148 L153 G250 W251 T301 T306 | R82-Y303 HydrophobicContact CB-CE1 4.04Å; R82-Y303 VanDerWaalsContact CD-OH 3.27Å; R82-Y303 WeakPolarHBondContact CD-OH 3.49Å; E83-Y303 HydrophobicContact CG-CD1 3.87Å; E83-Y303 VanDerWaalsContact OE2-CA 3.29Å; E83-Y303 WeakPolarHBondContact OE2-CA 3.23Å; E83-Y303 WeakPolarHBondContact OE2-CB 3.3Å; E83-Y303 WeakPolarHBondContact OE2-CD1 3.2Å; H144-Y303 PolarHBondContact CD2-OH 2.65Å; H144-Y303 VanDerWaalsContact CD2-OH 3.32Å; H144-Y303 AromaticContact NE2-CE2 3.73Å; H144-Y303 AromaticContact NE2-CZ 3.58Å; H144-Y303 PolarHBondContact NE2-OH 2.93Å; F148-Y303 HydrophobicContact CE2-CE2 4.25Å; L153-Y303 HydrophobicContact CD1-CD2 3.92Å; L153-Y303 HydrophobicContact CD1-CE2 4.44Å; L153-Y303 HydrophobicContact CD1-CG 4.24Å; L153-Y303 HydrophobicContact CD2-CD1 4.04Å; L153-Y303 HydrophobicContact CD2-CD2 4.09Å; L153-Y303 HydrophobicContact CD2-CE1 4.08Å; L153-Y303 HydrophobicContact CD2-CE2 4.13Å; L153-Y303 HydrophobicContact CD2-CG 4.04Å; G250-Y303 CarbonylContact C-O 3.43Å; G250-Y303 WeakPolarHBondContact CA-O 3.49Å; W251-Y303 VanDerWaalsContact CD1-C 3.49Å; W251-Y303 PolarHBondContact N-O 3.34Å; T301-Y303 HydrophobicContact CG2-CE1 4.22Å; T301-Y303 HydrophobicContact CG2-CE2 3.87Å; T301-Y303 WeakPolarHBondContact CG2-OH 3.2Å; Y303-T306 CarbonylContact C-O 3.6Å; Y303-T306 WeakPolarHBondContact CA-O 3.4Å; Y303-T306 WeakPolarHBondContact CB-O 3.46Å; Y303-T306 HydrophobicContact CD2-CG2 4.23Å; Y303-T306 PolarHBondContact N-O 2.97Å | ||
| 304 | K | 90.4 | Very high | 95.4 | Very high | 57 Ų | 57 | 21.2 Ų | 21.2 | 25% | 0.248 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -62.2 | -41.5 | 177.8 | -74.7 | 178.3 | 168.4 | -178.1 | 0 | 114.3 | D32 Y37 E83 | D32-K304 WeakPolarHBondContact OD1-CE 3.09Å; D32-K304 IonicContact OD1-NZ 3.2Å; D32-K304 PolarHBondContact OD1-NZ 3.03Å; D32-K304 IonicContact OD2-NZ 3.66Å; D32-K304 PolarHBondContact OD2-NZ 3.26Å; Y37-K304 PolarHBondContact OH-NZ 3.29Å; E83-K304 PolarHBondContact OE1-N 3.29Å; E83-K304 PolarHBondContact OE2-N 2.75Å; E83-K304 VanDerWaalsContact OE2-N 3.12Å |
| 305 | D | 90 | Very high | 95.5 | Very high | 81 Ų | 81 | 19 Ų | 19 | 43% | 0.433 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -122.9 | -5.9 | -168.9 | 62.2 | -23.9 | 0 | 0 | 0 | 114.1 | R36 | R36-D305 IonicContact CZ-OD1 2.88Å; R36-D305 IonicContact CZ-OD2 3.47Å; R36-D305 IonicContact NH1-OD1 3.31Å; R36-D305 PolarHBondContact NH1-OD1 3.32Å; R36-D305 IonicContact NH1-OD2 2.72Å; R36-D305 IonicContact NH2-OD1 3.84Å; R36-D305 PolarHBondContact NH2-OD1 3.36Å; R36-D305 IonicContact NH2-OD2 3.32Å; R36-D305 PolarHBondContact NH2-OD2 2.98Å |
| 306 | T | 94.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.012 | 10% | 0.104 | C | C | . | . | trans | -158.2 | -176.8 | -179.3 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | F148 L153 C223 Y303 | F148-T306 HydrophobicContact CE1-CG2 3.78Å; F148-T306 HydrophobicContact CZ-CG2 3.86Å; L153-T306 HydrophobicContact CD1-CG2 3.49Å; L153-T306 VanDerWaalsContact CD1-CG2 3.49Å; C223-T306 HydrophobicContact CB-CG2 4.19Å; Y303-T306 CarbonylContact C-O 3.6Å; Y303-T306 WeakPolarHBondContact CA-O 3.4Å; Y303-T306 WeakPolarHBondContact CB-O 3.46Å; Y303-T306 HydrophobicContact CD2-CG2 4.23Å; Y303-T306 PolarHBondContact N-O 2.97Å | ||
| 307 | G | 95.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 179.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A248 T301 | A248-G307 VanDerWaalsContact CB-C 3.49Å; A248-G307 PolarHBondContact N-O 2.83Å; T301-G307 CarbonylContact O-C 3.59Å; T301-G307 WeakPolarHBondContact O-CA 3.41Å |
| 308 | L | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 125.8 | 171.3 | -65.2 | 175 | 0 | 0 | 0 | 109.2 | L143 A147 F148 F225 A245 F299 T301 | L143-L308 HydrophobicContact CD2-CD1 4.11Å; L143-L308 HydrophobicContact CG-CD1 4.05Å; A147-L308 HydrophobicContact CB-CD1 4.48Å; A147-L308 HydrophobicContact CB-CD2 3.79Å; F148-L308 HydrophobicContact CE2-CD1 3.75Å; F148-L308 HydrophobicContact CE2-CD2 3.88Å; F148-L308 HydrophobicContact CE2-CG 3.71Å; F148-L308 HydrophobicContact CZ-CD1 4.38Å; F148-L308 HydrophobicContact CZ-CD2 3.73Å; F148-L308 HydrophobicContact CZ-CG 3.83Å; F225-L308 HydrophobicContact CD2-CD2 4.07Å; F225-L308 HydrophobicContact CE2-CD2 3.75Å; A245-L308 HydrophobicContact CB-CB 4.35Å; A245-L308 HydrophobicContact CB-CD2 4.32Å; F299-L308 HydrophobicContact CE2-CB 4.12Å; T301-L308 PolarHBondContact N-O 3.44Å; T301-L308 PolarHBondContact O-N 3.19Å |
| 309 | W | 97.6 | Very high | 95 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 127.3 | 174.8 | -175.8 | 97.8 | 0 | 0 | 0 | 108.4 | A245 V246 A248 L259 A262 I266 F299 W331 I396 | A245-W309 CarbonylContact C-O 3.54Å; A245-W309 VanDerWaalsContact CA-O 3.3Å; A245-W309 WeakPolarHBondContact CA-O 3.41Å; V246-W309 HydrophobicContact CG2-CE3 4.03Å; V246-W309 PolarHBondContact N-O 3.41Å; V246-W309 PolarHBondContact O-N 3.32Å; V246-W309 VanDerWaalsContact O-N 3.1Å; A248-W309 HydrophobicContact CB-CB 3.71Å; L259-W309 HydrophobicContact CD2-CD2 4.42Å; L259-W309 HydrophobicContact CD2-CG 4.19Å; L259-W309 PolarHBondContact O-NE1 3.07Å; L259-W309 VanDerWaalsContact O-NE1 3.07Å; A262-W309 HydrophobicContact CB-CZ2 3.85Å; I266-W309 HydrophobicContact CD1-CH2 3.46Å; I266-W309 VanDerWaalsContact CD1-CH2 3.46Å; I266-W309 HydrophobicContact CD1-CZ2 3.58Å; F299-W309 WeakPolarHBondContact O-CA 3.26Å; W309-W331 HydrophobicContact CE3-CZ2 4.15Å; W309-W331 AromaticContact CH2-CD1 3.48Å; W309-W331 VanDerWaalsContact CH2-CD1 3.48Å; W309-W331 HydrophobicContact CH2-CD2 4.23Å; W309-W331 AromaticContact CH2-CE2 3.86Å; W309-W331 HydrophobicContact CH2-CG 4.01Å; W309-W331 AromaticContact CH2-NE1 3.37Å; W309-W331 AromaticContact CZ3-CD1 3.68Å; W309-W331 AromaticContact CZ3-CD2 3.62Å; W309-W331 HydrophobicContact CZ3-CD2 3.62Å; W309-W331 AromaticContact CZ3-CE2 3.28Å; W309-W331 HydrophobicContact CZ3-CE3 4.29Å; W309-W331 AromaticContact CZ3-CG 3.86Å; W309-W331 HydrophobicContact CZ3-CG 3.86Å; W309-W331 HydrophobicContact CZ3-CH2 4.34Å; W309-W331 AromaticContact CZ3-CZ2 3.69Å; W309-W331 HydrophobicContact CZ3-CZ2 3.69Å; W309-W331 AromaticContact CZ3-NE1 3.32Å; W309-W331 VanDerWaalsContact CZ3-NE1 3.32Å; W309-I396 HydrophobicContact CE3-CD1 4.44Å; W309-I396 HydrophobicContact CH2-CD1 3.44Å; W309-I396 VanDerWaalsContact CH2-CD1 3.44Å; W309-I396 HydrophobicContact CZ2-CD1 4.19Å; W309-I396 HydrophobicContact CZ3-CD1 3.6Å; W309-I396 HydrophobicContact CZ3-CG1 4.46Å |
| 310 | G | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.9 | -170.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V244 A298 F299 | V244-G310 CarbonylContact O-C 3.44Å; V244-G310 WeakPolarHBondContact O-CA 3.48Å; A298-G310 WeakPolarHBondContact CA-O 3.35Å; F299-G310 VanDerWaalsContact CE1-C 3.44Å; F299-G310 PolarHBondContact N-O 2.99Å; F299-G310 PolarHBondContact O-N 3.49Å |
| 311 | V | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 126.8 | 178.1 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | A243 V244 I266 F296 Q297 F299 I313 V327 W331 | A243-V311 WeakPolarHBondContact CA-O 3.35Å; V244-V311 PolarHBondContact N-O 2.7Å; V244-V311 PolarHBondContact O-N 2.81Å; I266-V311 HydrophobicContact CG2-CG2 4.22Å; F296-V311 HydrophobicContact CB-CG1 3.8Å; F296-V311 HydrophobicContact CD2-CG1 4.19Å; F296-V311 HydrophobicContact CG-CG1 4.35Å; Q297-V311 WeakPolarHBondContact O-CA 3.16Å; F299-V311 VanDerWaalsContact CE1-C 3.45Å; V311-I313 HydrophobicContact CB-CG1 4.48Å; V311-I313 HydrophobicContact CG1-CG1 3.85Å; V311-V327 HydrophobicContact CB-CG1 4.19Å; V311-V327 HydrophobicContact CB-CG2 4.46Å; V311-V327 HydrophobicContact CG1-CG2 4.37Å; V311-V327 HydrophobicContact CG2-CG1 3.84Å; V311-W331 HydrophobicContact CG2-CZ2 4.23Å |
| 312 | Y | 98.2 | Very high | 94.7 | Very high | 14 Ų | 14 | 35.1 Ų | 35.1 | 6% | 0.055 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 135.6 | 165.5 | 176 | -106.4 | 0 | 0 | 0 | 108.7 | Q136 V139 F140 Y241 A242 A243 F296 Q297 V314 | Q136-Y312 HydrophobicContact CB-CE1 4.24Å; Q136-Y312 HydrophobicContact CB-CE2 4.36Å; Q136-Y312 HydrophobicContact CG-CD1 4.36Å; Q136-Y312 HydrophobicContact CG-CE1 4.11Å; Q136-Y312 HydrophobicContact CG-CE2 4.3Å; Q136-Y312 PolarHBondContact N-OH 2.87Å; V139-Y312 HydrophobicContact CB-CD2 4.47Å; V139-Y312 HydrophobicContact CB-CE2 3.99Å; V139-Y312 HydrophobicContact CG1-CD2 4.01Å; V139-Y312 HydrophobicContact CG1-CE2 3.98Å; V139-Y312 HydrophobicContact CG2-CE2 4.22Å; F140-Y312 HydrophobicContact CE2-CD2 4.37Å; F140-Y312 HydrophobicContact CE2-CG 4.4Å; Y241-Y312 WeakPolarHBondContact CD1-OH 3.17Å; A242-Y312 CarbonylContact O-C 3.48Å; A242-Y312 WeakPolarHBondContact O-CA 3.37Å; A242-Y312 WeakPolarHBondContact O-CD2 3.39Å; A243-Y312 HydrophobicContact CB-CD2 4.43Å; F296-Y312 CarbonylContact C-O 3.5Å; F296-Y312 WeakPolarHBondContact CA-O 3.42Å; F296-Y312 WeakPolarHBondContact CB-O 3.38Å; Q297-Y312 PolarHBondContact N-O 2.73Å; Q297-Y312 PolarHBondContact O-N 3.26Å; Y312-V314 HydrophobicContact CE1-CG2 3.68Å |
| 313 | I | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 134 | -169.6 | -55.4 | 164.4 | 0 | 0 | 0 | 108.5 | A242 F296 V311 A315 I320 V323 I324 V327 | A242-I313 PolarHBondContact N-O 3.4Å; A242-I313 PolarHBondContact O-N 2.77Å; F296-I313 HydrophobicContact CB-CG1 4.47Å; V311-I313 HydrophobicContact CB-CG1 4.48Å; V311-I313 HydrophobicContact CG1-CG1 3.85Å; I313-A315 HydrophobicContact CG2-CB 4.11Å; I313-I320 HydrophobicContact CB-CD1 4.22Å; I313-I320 HydrophobicContact CG2-CD1 3.71Å; I313-V323 HydrophobicContact CD1-CG1 4.19Å; I313-V323 HydrophobicContact CG2-CB 4.42Å; I313-V323 HydrophobicContact CG2-CG1 3.65Å; I313-I324 HydrophobicContact CD1-CG1 4.08Å; I313-V327 HydrophobicContact CD1-CG2 4.03Å |
| 314 | V | 96.7 | Very high | 94.8 | Very high | 14 Ų | 14 | 36 Ų | 36 | 9% | 0.085 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 118.9 | 165 | -171.6 | 0 | 0 | 0 | 0 | 107.7 | F239 C240 Y241 Q294 S295 Y312 | F239-V314 HydrophobicContact CB-CG1 3.83Å; F239-V314 HydrophobicContact CD2-CG1 4.2Å; F239-V314 HydrophobicContact CG-CG1 4.11Å; C240-V314 WeakPolarHBondContact O-CA 3.43Å; Y241-V314 HydrophobicContact CD1-CB 4.46Å; Y241-V314 HydrophobicContact CD1-CG1 3.96Å; Y241-V314 HydrophobicContact CD1-CG2 3.85Å; Y241-V314 HydrophobicContact CE1-CG1 3.79Å; Y241-V314 HydrophobicContact CE1-CG2 4.22Å; Q294-V314 WeakPolarHBondContact CA-O 3.23Å; Q294-V314 HydrophobicContact CB-CB 4.32Å; Q294-V314 HydrophobicContact CB-CG1 4.15Å; Q294-V314 WeakPolarHBondContact CB-O 3.4Å; Q294-V314 HydrophobicContact CG-CG1 4.47Å; Q294-V314 PolarHBondContact N-O 3.11Å; S295-V314 PolarHBondContact N-O 2.97Å; S295-V314 VanDerWaalsContact N-O 3.11Å; S295-V314 PolarHBondContact O-N 2.86Å; Y312-V314 HydrophobicContact CE1-CG2 3.68Å |
| 315 | A | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 162.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | C240 G292 I313 I320 V323 | C240-A315 WeakPolarHBondContact CA-O 3.43Å; C240-A315 WeakPolarHBondContact CB-O 3.3Å; C240-A315 PolarHBondContact N-O 3.46Å; C240-A315 PolarHBondContact O-N 2.93Å; G292-A315 CarbonylContact O-C 3.49Å; G292-A315 WeakPolarHBondContact O-CA 3.33Å; G292-A315 WeakPolarHBondContact O-CB 3.45Å; I313-A315 HydrophobicContact CG2-CB 4.11Å; A315-I320 HydrophobicContact CB-CD1 4.09Å; A315-V323 HydrophobicContact CB-CG2 4.23Å |
| 316 | D | 94.5 | Very high | 95.2 | Very high | 49 Ų | 49 | 34.9 Ų | 34.9 | 26% | 0.262 | 20% | 0.197 | S | C | . | . | trans | -58.9 | 141 | 167.2 | -59.2 | -14.8 | 0 | 0 | 0 | 109.3 | F239 G292 Q294 V318 A319 I320 | F239-D316 WeakPolarHBondContact CD1-OD1 3.41Å; F239-D316 VanDerWaalsContact CE1-OD1 3.31Å; F239-D316 WeakPolarHBondContact CE1-OD1 3.42Å; G292-D316 WeakPolarHBondContact CA-OD2 3.42Å; G292-D316 PolarHBondContact O-N 3.1Å; Q294-D316 PolarHBondContact NE2-OD1 3.16Å; D316-V318 HydrophobicContact CB-CG2 4.27Å; D316-V318 PolarHBondContact O-N 3.25Å; D316-A319 HydrophobicContact CB-CB 4.31Å; D316-A319 PolarHBondContact O-N 2.86Å; D316-I320 PolarHBondContact O-N 2.75Å; D316-I320 VanDerWaalsContact O-N 3.16Å | ||
| 317 | D | 91.2 | Very high | 95.3 | Very high | 122 Ų | 122 | 34.9 Ų | 34.9 | 65% | 0.652 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -40.3 | -177 | -177.5 | 34.7 | 0 | 0 | 0 | 112.2 | A319 I320 | D317-A319 VanDerWaalsContact C-N 3.26Å; D317-A319 PolarHBondContact O-N 3.1Å; D317-I320 VanDerWaalsContact O-CG2 3.28Å; D317-I320 WeakPolarHBondContact O-CG2 3.24Å; D317-I320 PolarHBondContact O-N 2.85Å |
| 318 | V | 91.3 | Very high | 95.3 | Very high | 134 Ų | 134 | 38.1 Ų | 38.1 | 81% | 0.812 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -23.9 | 177.8 | -62.9 | 0 | 0 | 0 | 0 | 113.8 | D316 | D316-V318 HydrophobicContact CB-CG2 4.27Å; D316-V318 PolarHBondContact O-N 3.25Å |
| 319 | A | 93.5 | Very high | 95.1 | Very high | 7 Ų | 7 | 41 Ų | 41 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -17 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113 | D316 D317 S321 E322 V323 | D316-A319 HydrophobicContact CB-CB 4.31Å; D316-A319 PolarHBondContact O-N 2.86Å; D317-A319 VanDerWaalsContact C-N 3.26Å; D317-A319 PolarHBondContact O-N 3.1Å; A319-S321 VanDerWaalsContact C-N 3.29Å; A319-S321 PolarHBondContact O-N 3.2Å; A319-E322 WeakPolarHBondContact O-CB 3.28Å; A319-E322 PolarHBondContact O-N 3.37Å; A319-V323 WeakPolarHBondContact O-CG2 3.42Å; A319-V323 PolarHBondContact O-N 3.1Å |
| 320 | I | 94 | Very high | 95 | Very high | 17 Ų | 17 | 41.6 Ų | 41.6 | 9% | 0.087 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.1 | -39.2 | -169.8 | -166.6 | 62.5 | 0 | 0 | 0 | 113.3 | C240 A242 I313 A315 D316 D317 E322 V323 I324 | C240-I320 HydrophobicContact CB-CB 4.36Å; C240-I320 HydrophobicContact CB-CG1 4.46Å; A242-I320 HydrophobicContact CB-CD1 3.86Å; A242-I320 HydrophobicContact CB-CG1 4.24Å; I313-I320 HydrophobicContact CB-CD1 4.22Å; I313-I320 HydrophobicContact CG2-CD1 3.71Å; A315-I320 HydrophobicContact CB-CD1 4.09Å; D316-I320 PolarHBondContact O-N 2.75Å; D316-I320 VanDerWaalsContact O-N 3.16Å; D317-I320 VanDerWaalsContact O-CG2 3.28Å; D317-I320 WeakPolarHBondContact O-CG2 3.24Å; D317-I320 PolarHBondContact O-N 2.85Å; I320-E322 VanDerWaalsContact C-N 3.33Å; I320-E322 PolarHBondContact O-N 3.06Å; I320-V323 PolarHBondContact O-N 3.37Å; I320-I324 HydrophobicContact CG1-CD1 4.05Å; I320-I324 HydrophobicContact CG1-CG1 4.45Å; I320-I324 VanDerWaalsContact O-CG1 3.29Å; I320-I324 WeakPolarHBondContact O-CG1 3.44Å; I320-I324 PolarHBondContact O-N 3.18Å |
| 321 | S | 93.2 | Very high | 94.8 | Very high | 85 Ų | 85 | 42.7 Ų | 42.7 | 59% | 0.594 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -66.1 | -36.1 | 180 | -67.7 | 0 | 0 | 0 | 0 | 112.2 | A319 S325 | A319-S321 VanDerWaalsContact C-N 3.29Å; A319-S321 PolarHBondContact O-N 3.2Å; S321-S325 PolarHBondContact O-N 2.66Å; S321-S325 VanDerWaalsContact O-N 3.14Å; S321-S325 PolarHBondContact O-OG 3.46Å |
| 322 | E | 94.4 | Very high | 94.7 | Very high | 125 Ų | 125 | 47.8 Ų | 47.8 | 58% | 0.584 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -71.2 | -43.6 | 175.2 | -178 | 170.3 | -155.8 | 0 | 0 | 110.8 | A319 I320 I324 S325 H326 | A319-E322 WeakPolarHBondContact O-CB 3.28Å; A319-E322 PolarHBondContact O-N 3.37Å; I320-E322 VanDerWaalsContact C-N 3.33Å; I320-E322 PolarHBondContact O-N 3.06Å; E322-I324 PolarHBondContact O-N 3.02Å; E322-S325 WeakPolarHBondContact O-CA 3.42Å; E322-S325 WeakPolarHBondContact O-CB 3.27Å; E322-S325 PolarHBondContact O-N 3.41Å; E322-H326 PolarHBondContact O-CD2 3.39Å; E322-H326 VanDerWaalsContact O-CD2 3.28Å; E322-H326 PolarHBondContact O-N 3.48Å; E322-H326 IonicContact OE1-NE2 3.91Å |
| 323 | V | 94.9 | Very high | 94.5 | Very high | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 176.7 | -178.6 | 0 | 0 | 0 | 0 | 111.3 | V287 C293 I313 A315 A319 I320 S325 H326 V327 | V287-V323 HydrophobicContact CG1-CG1 4.25Å; C293-V323 HydrophobicContact CB-CG2 3.81Å; I313-V323 HydrophobicContact CD1-CG1 4.19Å; I313-V323 HydrophobicContact CG2-CB 4.42Å; I313-V323 HydrophobicContact CG2-CG1 3.65Å; A315-V323 HydrophobicContact CB-CG2 4.23Å; A319-V323 WeakPolarHBondContact O-CG2 3.42Å; A319-V323 PolarHBondContact O-N 3.1Å; I320-V323 PolarHBondContact O-N 3.37Å; V323-S325 VanDerWaalsContact C-N 3.28Å; V323-S325 PolarHBondContact O-N 2.97Å; V323-H326 WeakPolarHBondContact O-CB 3.13Å; V323-H326 PolarHBondContact O-N 2.96Å; V323-H326 VanDerWaalsContact O-N 3.13Å; V323-V327 WeakPolarHBondContact O-CG2 3.42Å; V323-V327 PolarHBondContact O-N 2.87Å |
| 324 | I | 95.2 | Very high | 94.3 | Very high | 42 Ų | 42 | 49.1 Ų | 49.1 | 22% | 0.215 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.4 | -39.3 | 174.5 | -69.2 | 171.8 | 0 | 0 | 0 | 111 | V244 I313 I320 E322 H326 V327 Q328 | V244-I324 HydrophobicContact CG2-CD1 3.94Å; V244-I324 HydrophobicContact CG2-CG1 3.9Å; V244-I324 HydrophobicContact CG2-CG2 4.29Å; I313-I324 HydrophobicContact CD1-CG1 4.08Å; I320-I324 HydrophobicContact CG1-CD1 4.05Å; I320-I324 HydrophobicContact CG1-CG1 4.45Å; I320-I324 VanDerWaalsContact O-CG1 3.29Å; I320-I324 WeakPolarHBondContact O-CG1 3.44Å; I320-I324 PolarHBondContact O-N 3.18Å; E322-I324 PolarHBondContact O-N 3.02Å; I324-H326 VanDerWaalsContact C-N 3.3Å; I324-H326 PolarHBondContact O-N 3.02Å; I324-V327 PolarHBondContact O-N 3.36Å; I324-Q328 WeakPolarHBondContact O-CG 3.36Å; I324-Q328 PolarHBondContact O-N 2.78Å |
| 325 | S | 95 | Very high | 94 | Very high | 60 Ų | 60 | 50.5 Ų | 50.5 | 42% | 0.42 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.3 | -35.6 | 176.5 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | S321 E322 V323 S329 | S321-S325 PolarHBondContact O-N 2.66Å; S321-S325 VanDerWaalsContact O-N 3.14Å; S321-S325 PolarHBondContact O-OG 3.46Å; E322-S325 WeakPolarHBondContact O-CA 3.42Å; E322-S325 WeakPolarHBondContact O-CB 3.27Å; E322-S325 PolarHBondContact O-N 3.41Å; V323-S325 VanDerWaalsContact C-N 3.28Å; V323-S325 PolarHBondContact O-N 2.97Å; S325-S329 WeakPolarHBondContact O-CB 3.4Å; S325-S329 PolarHBondContact O-N 2.81Å; S325-S329 PolarHBondContact O-OG 3.05Å |
| 326 | H | 94.8 | Very high | 93.7 | Very high | 54 Ų | 54 | 59.5 Ų | 59.5 | 25% | 0.25 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.8 | -41.7 | 173.2 | -68.3 | -45.7 | 0 | 0 | 0 | 112.6 | L283 V286 V287 E322 V323 I324 Q328 S329 E330 | L283-H326 HydrophobicContact CD1-CB 3.88Å; V286-H326 HydrophobicContact CG1-CB 4.38Å; V286-H326 VanDerWaalsContact CG1-CE1 3.42Å; V286-H326 WeakPolarHBondContact CG1-CE1 3.34Å; V286-H326 WeakPolarHBondContact CG1-ND1 3.32Å; V287-H326 HydrophobicContact CG1-CB 4.2Å; E322-H326 PolarHBondContact O-CD2 3.39Å; E322-H326 VanDerWaalsContact O-CD2 3.28Å; E322-H326 PolarHBondContact O-N 3.48Å; E322-H326 IonicContact OE1-NE2 3.91Å; V323-H326 WeakPolarHBondContact O-CB 3.13Å; V323-H326 PolarHBondContact O-N 2.96Å; V323-H326 VanDerWaalsContact O-N 3.13Å; I324-H326 VanDerWaalsContact C-N 3.3Å; I324-H326 PolarHBondContact O-N 3.02Å; H326-Q328 VanDerWaalsContact C-N 3.34Å; H326-Q328 PolarHBondContact O-N 3.28Å; H326-S329 WeakPolarHBondContact O-CB 3.15Å; H326-S329 PolarHBondContact O-N 3Å; H326-S329 VanDerWaalsContact O-N 3.13Å; H326-E330 PolarHBondContact O-N 3.47Å |
| 327 | V | 95.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.2 | -47.6 | 172.7 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | L283 V311 I313 V323 I324 S329 E330 W331 | L283-V327 HydrophobicContact CD1-CG2 4.15Å; L283-V327 HydrophobicContact CD2-CG2 3.84Å; V311-V327 HydrophobicContact CB-CG1 4.19Å; V311-V327 HydrophobicContact CB-CG2 4.46Å; V311-V327 HydrophobicContact CG1-CG2 4.37Å; V311-V327 HydrophobicContact CG2-CG1 3.84Å; I313-V327 HydrophobicContact CD1-CG2 4.03Å; V323-V327 WeakPolarHBondContact O-CG2 3.42Å; V323-V327 PolarHBondContact O-N 2.87Å; I324-V327 PolarHBondContact O-N 3.36Å; V327-S329 VanDerWaalsContact C-N 3.28Å; V327-S329 PolarHBondContact O-N 3.38Å; V327-E330 WeakPolarHBondContact O-CB 3.26Å; V327-E330 PolarHBondContact O-N 3.41Å; V327-W331 HydrophobicContact CG1-CD2 4.2Å; V327-W331 HydrophobicContact CG1-CH2 4.47Å; V327-W331 HydrophobicContact CG1-CZ2 3.69Å; V327-W331 VanDerWaalsContact O-CD1 3.3Å; V327-W331 PolarHBondContact O-N 3.17Å |
| 328 | Q | 95.1 | Very high | 93.7 | Very high | 68 Ų | 68 | 58.3 Ų | 58.3 | 32% | 0.318 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.6 | -34.2 | 176.9 | -70.7 | 177.9 | -6.1 | 0 | 0 | 112.8 | I324 H326 K332 | I324-Q328 WeakPolarHBondContact O-CG 3.36Å; I324-Q328 PolarHBondContact O-N 2.78Å; H326-Q328 VanDerWaalsContact C-N 3.34Å; H326-Q328 PolarHBondContact O-N 3.28Å; Q328-K332 WeakPolarHBondContact O-CD 3.12Å; Q328-K332 VanDerWaalsContact O-CG 3.25Å; Q328-K332 WeakPolarHBondContact O-CG 3.2Å; Q328-K332 PolarHBondContact O-N 3.11Å; Q328-K332 VanDerWaalsContact O-N 3.08Å |
| 329 | S | 94.7 | Very high | 93.7 | Very high | 62 Ų | 62 | 54.9 Ų | 54.9 | 43% | 0.434 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.4 | -38.2 | 176 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | S325 H326 V327 K332 Y333 | S325-S329 WeakPolarHBondContact O-CB 3.4Å; S325-S329 PolarHBondContact O-N 2.81Å; S325-S329 PolarHBondContact O-OG 3.05Å; H326-S329 WeakPolarHBondContact O-CB 3.15Å; H326-S329 PolarHBondContact O-N 3Å; H326-S329 VanDerWaalsContact O-N 3.13Å; V327-S329 VanDerWaalsContact C-N 3.28Å; V327-S329 PolarHBondContact O-N 3.38Å; S329-K332 PolarHBondContact O-N 2.89Å; S329-Y333 WeakPolarHBondContact O-CB 3.45Å; S329-Y333 PolarHBondContact O-N 3.1Å |
| 330 | E | 94.3 | Very high | 93.6 | Very high | 12 Ų | 12 | 61.6 Ų | 61.6 | 6% | 0.056 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 173.2 | -171.8 | 63.4 | -167.3 | 0 | 0 | 111.5 | I266 R282 L283 H326 V327 K332 Y333 I334 | I266-E330 HydrophobicContact CG1-CG 4.2Å; R282-E330 WeakPolarHBondContact CB-OE2 3.27Å; R282-E330 WeakPolarHBondContact CD-OE2 3.22Å; R282-E330 VanDerWaalsContact CG-OE2 3.24Å; R282-E330 WeakPolarHBondContact CG-OE2 3.46Å; R282-E330 IonicContact NE-OE2 3.58Å; L283-E330 HydrophobicContact CB-CB 4.47Å; L283-E330 HydrophobicContact CB-CG 4.17Å; H326-E330 PolarHBondContact O-N 3.47Å; V327-E330 WeakPolarHBondContact O-CB 3.26Å; V327-E330 PolarHBondContact O-N 3.41Å; E330-K332 VanDerWaalsContact C-N 3.32Å; E330-K332 PolarHBondContact O-N 3.14Å; E330-Y333 WeakPolarHBondContact O-CB 3.39Å; E330-Y333 PolarHBondContact O-N 2.92Å; E330-Y333 VanDerWaalsContact O-N 3.16Å; E330-I334 HydrophobicContact CG-CD1 4.17Å; E330-I334 WeakPolarHBondContact O-CG1 3.39Å; E330-I334 PolarHBondContact O-N 2.9Å |
| 331 | W | 95 | Very high | 93.4 | Very high | 24 Ų | 24 | 68.8 Ų | 68.8 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.2 | -41 | 176.8 | -64.4 | -2.8 | 0 | 0 | 0 | 112.3 | V244 V246 W309 V311 V327 Y333 I334 C335 I396 | V244-W331 HydrophobicContact CG1-CH2 3.97Å; V244-W331 HydrophobicContact CG1-CZ3 4.42Å; V246-W331 HydrophobicContact CG1-CH2 4.42Å; V246-W331 HydrophobicContact CG1-CZ3 3.86Å; W309-W331 HydrophobicContact CE3-CZ2 4.15Å; W309-W331 AromaticContact CH2-CD1 3.48Å; W309-W331 VanDerWaalsContact CH2-CD1 3.48Å; W309-W331 HydrophobicContact CH2-CD2 4.23Å; W309-W331 AromaticContact CH2-CE2 3.86Å; W309-W331 HydrophobicContact CH2-CG 4.01Å; W309-W331 AromaticContact CH2-NE1 3.37Å; W309-W331 AromaticContact CZ3-CD1 3.68Å; W309-W331 AromaticContact CZ3-CD2 3.62Å; W309-W331 HydrophobicContact CZ3-CD2 3.62Å; W309-W331 AromaticContact CZ3-CE2 3.28Å; W309-W331 HydrophobicContact CZ3-CE3 4.29Å; W309-W331 AromaticContact CZ3-CG 3.86Å; W309-W331 HydrophobicContact CZ3-CG 3.86Å; W309-W331 HydrophobicContact CZ3-CH2 4.34Å; W309-W331 AromaticContact CZ3-CZ2 3.69Å; W309-W331 HydrophobicContact CZ3-CZ2 3.69Å; W309-W331 AromaticContact CZ3-NE1 3.32Å; W309-W331 VanDerWaalsContact CZ3-NE1 3.32Å; V311-W331 HydrophobicContact CG2-CZ2 4.23Å; V327-W331 HydrophobicContact CG1-CD2 4.2Å; V327-W331 HydrophobicContact CG1-CH2 4.47Å; V327-W331 HydrophobicContact CG1-CZ2 3.69Å; V327-W331 VanDerWaalsContact O-CD1 3.3Å; V327-W331 PolarHBondContact O-N 3.17Å; W331-Y333 VanDerWaalsContact C-N 3.34Å; W331-I334 PolarHBondContact O-N 3.36Å; W331-C335 PolarHBondContact O-N 3.13Å; W331-C335 VanDerWaalsContact O-N 3.11Å; W331-C335 PolarHBondContact O-SG 3.47Å; W331-I396 HydrophobicContact CB-CD1 4.2Å; W331-I396 HydrophobicContact CG-CD1 4.43Å |
| 332 | K | 94.8 | Very high | 93.3 | Very high | 107 Ų | 107 | 66.5 Ų | 66.5 | 47% | 0.465 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 175.2 | -72.4 | 164.9 | -168.6 | 163.5 | 0 | 111.8 | Q328 S329 E330 C335 R336 | Q328-K332 WeakPolarHBondContact O-CD 3.12Å; Q328-K332 VanDerWaalsContact O-CG 3.25Å; Q328-K332 WeakPolarHBondContact O-CG 3.2Å; Q328-K332 PolarHBondContact O-N 3.11Å; Q328-K332 VanDerWaalsContact O-N 3.08Å; S329-K332 PolarHBondContact O-N 2.89Å; E330-K332 VanDerWaalsContact C-N 3.32Å; E330-K332 PolarHBondContact O-N 3.14Å; K332-C335 PolarHBondContact O-N 2.96Å; K332-R336 WeakPolarHBondContact O-CB 3.41Å; K332-R336 PolarHBondContact O-N 3.45Å |
| 333 | Y | 94.3 | Very high | 93.2 | Very high | 39 Ų | 39 | 61.9 Ų | 61.9 | 15% | 0.153 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.4 | -51.6 | 176.5 | 178.5 | -104.1 | 0 | 0 | 0 | 110.9 | S329 E330 W331 C335 R336 D337 I338 E342 | S329-Y333 WeakPolarHBondContact O-CB 3.45Å; S329-Y333 PolarHBondContact O-N 3.1Å; E330-Y333 WeakPolarHBondContact O-CB 3.39Å; E330-Y333 PolarHBondContact O-N 2.92Å; E330-Y333 VanDerWaalsContact O-N 3.16Å; W331-Y333 VanDerWaalsContact C-N 3.34Å; Y333-C335 PolarHBondContact O-N 3.12Å; Y333-R336 PolarHBondContact O-N 3.47Å; Y333-R336 VanDerWaalsContact O-N 3.1Å; Y333-D337 HydrophobicContact CD2-CB 3.59Å; Y333-D337 HydrophobicContact CE2-CB 3.64Å; Y333-D337 WeakPolarHBondContact CE2-O 3.48Å; Y333-D337 PolarHBondContact O-N 2.87Å; Y333-I338 PolarHBondContact O-N 3.18Å; Y333-I338 VanDerWaalsContact O-N 3.16Å; Y333-E342 PolarHBondContact OH-OE1 3.46Å; Y333-E342 PolarHBondContact OH-OE2 3.44Å |
| 334 | I | 92.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 65.1 Ų | 65.1 | 2% | 0.015 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.9 | -37.1 | 177.6 | -67.7 | 170.3 | 0 | 0 | 0 | 111.7 | A262 I266 E330 W331 I338 I394 | A262-I334 HydrophobicContact CB-CG2 4.13Å; I266-I334 HydrophobicContact CD1-CD1 3.97Å; I266-I334 HydrophobicContact CG1-CD1 3.63Å; E330-I334 HydrophobicContact CG-CD1 4.17Å; E330-I334 WeakPolarHBondContact O-CG1 3.39Å; E330-I334 PolarHBondContact O-N 2.9Å; W331-I334 PolarHBondContact O-N 3.36Å; I334-I338 WeakPolarHBondContact O-CG2 3.42Å; I334-I394 HydrophobicContact CG2-CB 4.4Å; I334-I394 HydrophobicContact CG2-CD1 4.01Å; I334-I394 HydrophobicContact CG2-CG2 3.88Å |
| 335 | C | 90.1 | Very high | 92.9 | Very high | 42 Ų | 42 | 67.6 Ų | 67.6 | 28% | 0.284 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -78.1 | -21 | -178.9 | -67 | 0 | 0 | 0 | 0 | 115.2 | W331 K332 Y333 I396 | W331-C335 PolarHBondContact O-N 3.13Å; W331-C335 VanDerWaalsContact O-N 3.11Å; W331-C335 PolarHBondContact O-SG 3.47Å; K332-C335 PolarHBondContact O-N 2.96Å; Y333-C335 PolarHBondContact O-N 3.12Å; C335-I396 WeakPolarHBondContact SG-CB 3.48Å |
| 336 | R | 90.5 | Very high | 92.7 | Very high | 189 Ų | 189 | 64.8 Ų | 64.8 | 71% | 0.713 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -127.2 | -39.9 | -165.9 | -66.4 | -174.2 | 176 | -169.6 | -1.6 | 114.5 | K332 Y333 | K332-R336 WeakPolarHBondContact O-CB 3.41Å; K332-R336 PolarHBondContact O-N 3.45Å; Y333-R336 PolarHBondContact O-N 3.47Å; Y333-R336 VanDerWaalsContact O-N 3.1Å |
| 337 | D | 92.2 | Very high | 92.6 | Very high | 107 Ų | 107 | 62.4 Ų | 62.4 | 57% | 0.572 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.7 | 5 | -161.9 | -56.3 | -51.4 | 0 | 0 | 0 | 112.5 | Y333 | Y333-D337 HydrophobicContact CD2-CB 3.59Å; Y333-D337 HydrophobicContact CE2-CB 3.64Å; Y333-D337 WeakPolarHBondContact CE2-O 3.48Å; Y333-D337 PolarHBondContact O-N 2.87Å |
| 338 | I | 92 | Very high | 92.4 | Very high | 39 Ų | 39 | 65.7 Ų | 65.7 | 20% | 0.2 | 32% | 0.319 | C | S | . | . | trans | -64.1 | 137.3 | 176.1 | -165.6 | 169.5 | 0 | 0 | 0 | 110.8 | L265 Y333 I334 E342 V343 | L265-I338 HydrophobicContact CD1-CD1 3.45Å; L265-I338 VanDerWaalsContact CD1-CD1 3.45Å; Y333-I338 PolarHBondContact O-N 3.18Å; Y333-I338 VanDerWaalsContact O-N 3.16Å; I334-I338 WeakPolarHBondContact O-CG2 3.42Å; I338-E342 HydrophobicContact CD1-CB 4.29Å; I338-E342 HydrophobicContact CG1-CB 3.86Å; I338-V343 HydrophobicContact CD1-CG2 3.76Å; I338-V343 HydrophobicContact CG1-CG2 3.97Å; I338-V343 HydrophobicContact CG2-CG2 4.07Å | ||
| 339 | T | 91.8 | Very high | 92.3 | Very high | 62 Ų | 62 | 65.8 Ų | 65.8 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | trans | -86.7 | 153.9 | 178.6 | 63.3 | 0 | 0 | 0 | 0 | 112 | E341 E342 V343 | T339-E341 PolarHBondContact O-N 2.9Å; T339-E342 PolarHBondContact N-OE2 3.42Å; T339-E342 PolarHBondContact O-N 2.76Å; T339-E342 VanDerWaalsContact O-N 3.11Å; T339-E342 WeakPolarHBondContact OG1-CB 3.46Å; T339-E342 VanDerWaalsContact OG1-CG 3.23Å; T339-E342 WeakPolarHBondContact OG1-CG 3.3Å; T339-E342 PolarHBondContact OG1-N 2.83Å; T339-E342 PolarHBondContact OG1-OE2 2.88Å; T339-V343 WeakPolarHBondContact O-CG2 3.26Å; T339-V343 PolarHBondContact O-N 3.27Å | ||
| 340 | D | 90.6 | Very high | 92.1 | Very high | 148 Ų | 148 | 63.2 Ų | 63.2 | 79% | 0.791 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -58 | -35 | 174.6 | -67.7 | -25.2 | 0 | 0 | 0 | 112 | V343 E344 | D340-V343 PolarHBondContact O-N 3.43Å; D340-E344 WeakPolarHBondContact O-CB 3.14Å; D340-E344 PolarHBondContact O-N 2.89Å |
| 341 | E | 91.6 | Very high | 92 | Very high | 168 Ų | 168 | 64.2 Ų | 64.2 | 79% | 0.785 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.1 | -40.7 | 176.4 | -65.2 | -177.8 | 179.3 | 0 | 0 | 112.1 | T339 E344 R345 | T339-E341 PolarHBondContact O-N 2.9Å; E341-E344 PolarHBondContact O-N 3.31Å; E341-R345 WeakPolarHBondContact O-CB 3.24Å; E341-R345 PolarHBondContact O-N 3.34Å |
| 342 | E | 90.8 | Very high | 91.8 | Very high | 38 Ų | 38 | 66.5 Ų | 66.5 | 18% | 0.178 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.2 | -41.2 | 175.7 | -73.7 | 169.2 | 119.3 | 0 | 0 | 111.9 | L265 Y333 I338 T339 E344 R345 G346 | L265-E342 WeakPolarHBondContact CD2-O 3.32Å; Y333-E342 PolarHBondContact OH-OE1 3.46Å; Y333-E342 PolarHBondContact OH-OE2 3.44Å; I338-E342 HydrophobicContact CD1-CB 4.29Å; I338-E342 HydrophobicContact CG1-CB 3.86Å; T339-E342 PolarHBondContact N-OE2 3.42Å; T339-E342 PolarHBondContact O-N 2.76Å; T339-E342 VanDerWaalsContact O-N 3.11Å; T339-E342 WeakPolarHBondContact OG1-CB 3.46Å; T339-E342 VanDerWaalsContact OG1-CG 3.23Å; T339-E342 WeakPolarHBondContact OG1-CG 3.3Å; T339-E342 PolarHBondContact OG1-N 2.83Å; T339-E342 PolarHBondContact OG1-OE2 2.88Å; E342-E344 VanDerWaalsContact C-N 3.31Å; E342-E344 PolarHBondContact O-N 2.83Å; E342-R345 WeakPolarHBondContact O-CB 3.47Å; E342-R345 PolarHBondContact O-N 3.14Å; E342-G346 PolarHBondContact O-N 3.28Å |
| 343 | V | 91.7 | Very high | 91.5 | Very high | 28 Ų | 28 | 65 Ų | 65 | 17% | 0.17 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 174.2 | 173.7 | 0 | 0 | 0 | 0 | 110.2 | I338 T339 D340 R345 G346 K347 | I338-V343 HydrophobicContact CD1-CG2 3.76Å; I338-V343 HydrophobicContact CG1-CG2 3.97Å; I338-V343 HydrophobicContact CG2-CG2 4.07Å; T339-V343 WeakPolarHBondContact O-CG2 3.26Å; T339-V343 PolarHBondContact O-N 3.27Å; D340-V343 PolarHBondContact O-N 3.43Å; V343-R345 VanDerWaalsContact C-N 3.34Å; V343-R345 PolarHBondContact O-N 2.94Å; V343-G346 CarbonylContact O-C 3.47Å; V343-G346 WeakPolarHBondContact O-CA 3.4Å; V343-G346 PolarHBondContact O-N 2.8Å; V343-G346 VanDerWaalsContact O-N 3.09Å; V343-K347 HydrophobicContact CG1-CD 4.39Å; V343-K347 HydrophobicContact CG1-CG 4.48Å; V343-K347 WeakPolarHBondContact O-CG 3.08Å; V343-K347 PolarHBondContact O-N 3.31Å |
| 344 | E | 92 | Very high | 91.3 | Very high | 75 Ų | 75 | 65.2 Ų | 65.2 | 35% | 0.35 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 179.1 | -171.8 | 51.7 | -137.6 | 0 | 0 | 112 | D340 E341 E342 G346 K347 N348 R351 | D340-E344 WeakPolarHBondContact O-CB 3.14Å; D340-E344 PolarHBondContact O-N 2.89Å; E341-E344 PolarHBondContact O-N 3.31Å; E342-E344 VanDerWaalsContact C-N 3.31Å; E342-E344 PolarHBondContact O-N 2.83Å; E344-G346 VanDerWaalsContact C-N 3.34Å; E344-G346 PolarHBondContact O-N 2.92Å; E344-K347 PolarHBondContact O-N 2.93Å; E344-N348 PolarHBondContact O-N 3.22Å; E344-N348 PolarHBondContact O-ND2 3.48Å; E344-N348 PolarHBondContact OE1-ND2 2.95Å; E344-R351 IonicContact OE1-NH1 2.78Å |
| 345 | R | 90.9 | Very high | 91 | Very high | 94 Ų | 94 | 69.5 Ų | 69.5 | 36% | 0.355 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 170.6 | -179.7 | 176.3 | 60.2 | 119.2 | -2.7 | 111.5 | P280 E341 E342 V343 N348 L349 | P280-R345 PolarHBondContact O-NH1 2.97Å; E341-R345 WeakPolarHBondContact O-CB 3.24Å; E341-R345 PolarHBondContact O-N 3.34Å; E342-R345 WeakPolarHBondContact O-CB 3.47Å; E342-R345 PolarHBondContact O-N 3.14Å; V343-R345 VanDerWaalsContact C-N 3.34Å; V343-R345 PolarHBondContact O-N 2.94Å; R345-N348 PolarHBondContact O-N 3.5Å; R345-L349 HydrophobicContact CG-CD1 4.16Å; R345-L349 WeakPolarHBondContact O-CB 3.46Å; R345-L349 WeakPolarHBondContact O-CG 3.47Å; R345-L349 PolarHBondContact O-N 3.09Å |
| 346 | G | 91.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E342 V343 E344 L349 L350 | E342-G346 PolarHBondContact O-N 3.28Å; V343-G346 CarbonylContact O-C 3.47Å; V343-G346 WeakPolarHBondContact O-CA 3.4Å; V343-G346 PolarHBondContact O-N 2.8Å; V343-G346 VanDerWaalsContact O-N 3.09Å; E344-G346 VanDerWaalsContact C-N 3.34Å; E344-G346 PolarHBondContact O-N 2.92Å; G346-L349 PolarHBondContact O-N 2.77Å; G346-L350 WeakPolarHBondContact O-CB 3.04Å; G346-L350 PolarHBondContact O-N 3.33Å |
| 347 | K | 92.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 69.6 Ų | 69.6 | 2% | 0.017 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.2 | -48.4 | 174.1 | -71.4 | 178.2 | 175.9 | -170.7 | 0 | 111.5 | I261 V343 E344 L349 L350 R351 I388 D389 V390 | I261-K347 HydrophobicContact CD1-CG 3.85Å; I261-K347 HydrophobicContact CG1-CG 4.41Å; V343-K347 HydrophobicContact CG1-CD 4.39Å; V343-K347 HydrophobicContact CG1-CG 4.48Å; V343-K347 WeakPolarHBondContact O-CG 3.08Å; V343-K347 PolarHBondContact O-N 3.31Å; E344-K347 PolarHBondContact O-N 2.93Å; K347-L349 PolarHBondContact O-N 3.04Å; K347-L350 PolarHBondContact O-N 3.08Å; K347-R351 WeakPolarHBondContact O-CG 3.3Å; K347-R351 PolarHBondContact O-N 3.39Å; K347-I388 HydrophobicContact CB-CG2 3.68Å; K347-I388 HydrophobicContact CD-CG2 4.34Å; K347-I388 VanDerWaalsContact CD-O 3.29Å; K347-I388 WeakPolarHBondContact CD-O 3.49Å; K347-I388 WeakPolarHBondContact CE-O 3.48Å; K347-I388 HydrophobicContact CG-CG2 3.74Å; K347-I388 PolarHBondContact NZ-O 3.32Å; K347-D389 PolarHBondContact NZ-O 2.91Å; K347-V390 PolarHBondContact NZ-O 3.14Å |
| 348 | N | 92.3 | Very high | 90.1 | Very high | 71 Ų | 71 | 65.6 Ų | 65.6 | 38% | 0.38 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.4 | -36.3 | -179.5 | -70.3 | -43.6 | 0 | 0 | 0 | 113.2 | E344 R345 R351 T352 | E344-N348 PolarHBondContact O-N 3.22Å; E344-N348 PolarHBondContact O-ND2 3.48Å; E344-N348 PolarHBondContact OE1-ND2 2.95Å; R345-N348 PolarHBondContact O-N 3.5Å; N348-R351 PolarHBondContact OD1-NH1 2.79Å; N348-T352 WeakPolarHBondContact O-CB 3.39Å; N348-T352 PolarHBondContact O-N 3.26Å; N348-T352 PolarHBondContact O-OG1 2.85Å |
| 349 | L | 91.5 | Very high | 89.8 | Confident | 69 Ų | 69 | 69 Ų | 69 | 36% | 0.361 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 171.2 | -73.8 | 171.1 | 0 | 0 | 0 | 111.5 | T264 R345 G346 K347 R351 T352 N353 | T264-L349 HydrophobicContact CG2-CB 3.52Å; R345-L349 HydrophobicContact CG-CD1 4.16Å; R345-L349 WeakPolarHBondContact O-CB 3.46Å; R345-L349 WeakPolarHBondContact O-CG 3.47Å; R345-L349 PolarHBondContact O-N 3.09Å; G346-L349 PolarHBondContact O-N 2.77Å; K347-L349 PolarHBondContact O-N 3.04Å; L349-R351 PolarHBondContact O-N 3.36Å; L349-T352 PolarHBondContact O-N 3.05Å; L349-N353 WeakPolarHBondContact O-CB 3.48Å; L349-N353 VanDerWaalsContact O-CG 3.23Å; L349-N353 PolarHBondContact O-N 3.35Å |
| 350 | L | 92.3 | Very high | 89.7 | Confident | 8 Ų | 8 | 68.3 Ų | 68.3 | 4% | 0.042 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 178.8 | 177.6 | 60.7 | 0 | 0 | 0 | 111.1 | M260 I261 T264 G346 K347 T352 N353 M354 I388 | M260-L350 HydrophobicContact CB-CD1 4.2Å; M260-L350 HydrophobicContact CB-CD2 3.86Å; M260-L350 HydrophobicContact CE-CD1 4.08Å; I261-L350 HydrophobicContact CG1-CD2 3.67Å; T264-L350 HydrophobicContact CG2-CB 4.39Å; G346-L350 WeakPolarHBondContact O-CB 3.04Å; G346-L350 PolarHBondContact O-N 3.33Å; K347-L350 PolarHBondContact O-N 3.08Å; L350-T352 VanDerWaalsContact C-N 3.32Å; L350-T352 PolarHBondContact O-N 3.43Å; L350-N353 PolarHBondContact O-N 2.96Å; L350-M354 HydrophobicContact CD1-CG 3.95Å; L350-M354 HydrophobicContact CD1-SD 3.81Å; L350-M354 HydrophobicContact CD2-SD 4.4Å; L350-M354 HydrophobicContact CG-CG 4.35Å; L350-M354 HydrophobicContact CG-SD 3.83Å; L350-M354 WeakPolarHBondContact O-CB 3.27Å; L350-M354 VanDerWaalsContact O-CG 3.27Å; L350-M354 WeakPolarHBondContact O-CG 3.46Å; L350-M354 PolarHBondContact O-N 2.89Å; L350-I388 HydrophobicContact CD2-CD1 4.06Å; L350-I388 HydrophobicContact CD2-CG1 4.16Å; L350-I388 HydrophobicContact CG-CD1 4.21Å |
| 351 | R | 91.9 | Very high | 89.8 | Confident | 33 Ų | 33 | 61.9 Ų | 61.9 | 13% | 0.125 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -54.3 | -49.4 | 174.4 | -73.1 | 172.6 | 178.1 | 116.1 | 10 | 111.9 | E344 K347 N348 L349 N353 M354 L355 D385 I388 D389 | E344-R351 IonicContact OE1-NH1 2.78Å; K347-R351 WeakPolarHBondContact O-CG 3.3Å; K347-R351 PolarHBondContact O-N 3.39Å; N348-R351 PolarHBondContact OD1-NH1 2.79Å; L349-R351 PolarHBondContact O-N 3.36Å; R351-N353 VanDerWaalsContact C-N 3.35Å; R351-N353 PolarHBondContact O-N 3.18Å; R351-M354 PolarHBondContact O-N 3.33Å; R351-L355 WeakPolarHBondContact O-CG 3.48Å; R351-L355 PolarHBondContact O-N 3.33Å; R351-D385 WeakPolarHBondContact CD-OD1 3.49Å; R351-D385 IonicContact CZ-OD1 2.61Å; R351-D385 IonicContact NE-OD1 2.61Å; R351-D385 PolarHBondContact NE-OD1 3.06Å; R351-D385 IonicContact NH2-OD1 2.7Å; R351-D385 PolarHBondContact NH2-OD1 2.81Å; R351-I388 HydrophobicContact CG-CD1 4.07Å; R351-I388 HydrophobicContact CG-CG2 4.38Å; R351-D389 IonicContact CZ-OD1 3.75Å; R351-D389 IonicContact NH1-OD1 2.8Å; R351-D389 IonicContact NH2-OD1 2.7Å; R351-D389 PolarHBondContact NH2-OD1 3.18Å; R351-D389 IonicContact NH2-OD2 3.01Å; R351-D389 PolarHBondContact NH2-OD2 2.85Å |
| 352 | T | 90.1 | Very high | 89.9 | Confident | 73 Ų | 73 | 55 Ų | 55 | 45% | 0.448 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.4 | -48.5 | -180 | -57.1 | 0 | 0 | 0 | 0 | 110.3 | N348 L349 L350 M354 L355 L356 | N348-T352 WeakPolarHBondContact O-CB 3.39Å; N348-T352 PolarHBondContact O-N 3.26Å; N348-T352 PolarHBondContact O-OG1 2.85Å; L349-T352 PolarHBondContact O-N 3.05Å; L350-T352 VanDerWaalsContact C-N 3.32Å; L350-T352 PolarHBondContact O-N 3.43Å; T352-M354 PolarHBondContact O-N 2.98Å; T352-L355 PolarHBondContact O-N 3.29Å; T352-L356 HydrophobicContact CG2-CD1 3.8Å; T352-L356 HydrophobicContact CG2-CG 4.33Å; T352-L356 WeakPolarHBondContact O-CB 3.38Å; T352-L356 VanDerWaalsContact O-CG 3.25Å; T352-L356 WeakPolarHBondContact O-CG 3.43Å; T352-L356 PolarHBondContact O-N 3.43Å |
| 353 | N | 89.4 | Confident | 90.1 | Very high | 75 Ų | 75 | 55.6 Ų | 55.6 | 40% | 0.401 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 178.5 | -69.2 | -13.1 | 0 | 0 | 0 | 112 | L349 L350 R351 L355 L356 L357 | L349-N353 WeakPolarHBondContact O-CB 3.48Å; L349-N353 VanDerWaalsContact O-CG 3.23Å; L349-N353 PolarHBondContact O-N 3.35Å; L350-N353 PolarHBondContact O-N 2.96Å; R351-N353 VanDerWaalsContact C-N 3.35Å; R351-N353 PolarHBondContact O-N 3.18Å; N353-L355 PolarHBondContact O-N 2.95Å; N353-L356 PolarHBondContact O-N 3.29Å; N353-L357 VanDerWaalsContact O-CG 3.26Å; N353-L357 WeakPolarHBondContact O-CG 3.31Å; N353-L357 PolarHBondContact O-N 3Å |
| 354 | M | 88.5 | Confident | 90.2 | Very high | 44 Ų | 44 | 55.5 Ų | 55.5 | 22% | 0.217 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.1 | -37 | -179.9 | -68.3 | -178.9 | 99.5 | 0 | 0 | 112.3 | M260 L350 R351 T352 L358 L384 I388 | M260-M354 HydrophobicContact CE-CE 3.43Å; M260-M354 VanDerWaalsContact CE-CE 3.43Å; M260-M354 HydrophobicContact CE-SD 4Å; L350-M354 HydrophobicContact CD1-CG 3.95Å; L350-M354 HydrophobicContact CD1-SD 3.81Å; L350-M354 HydrophobicContact CD2-SD 4.4Å; L350-M354 HydrophobicContact CG-CG 4.35Å; L350-M354 HydrophobicContact CG-SD 3.83Å; L350-M354 WeakPolarHBondContact O-CB 3.27Å; L350-M354 VanDerWaalsContact O-CG 3.27Å; L350-M354 WeakPolarHBondContact O-CG 3.46Å; L350-M354 PolarHBondContact O-N 2.89Å; R351-M354 PolarHBondContact O-N 3.33Å; T352-M354 PolarHBondContact O-N 2.98Å; M354-L358 WeakPolarHBondContact O-CG 3.47Å; M354-L384 HydrophobicContact CE-CD1 3.8Å; M354-L384 HydrophobicContact CE-CD2 3.48Å; M354-L384 VanDerWaalsContact CE-CD2 3.48Å; M354-L384 HydrophobicContact CE-CG 4.19Å; M354-L384 HydrophobicContact SD-CD1 4.14Å; M354-L384 HydrophobicContact SD-CD2 3.72Å; M354-L384 HydrophobicContact SD-CG 4.22Å; M354-I388 HydrophobicContact SD-CD1 4.04Å |
| 355 | L | 87.2 | Confident | 90.4 | Very high | 93 Ų | 93 | 51.9 Ų | 51.9 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -72.1 | -40.5 | 176.7 | -69.1 | 173.8 | 0 | 0 | 0 | 112.2 | R351 T352 N353 L357 L358 V381 | R351-L355 WeakPolarHBondContact O-CG 3.48Å; R351-L355 PolarHBondContact O-N 3.33Å; T352-L355 PolarHBondContact O-N 3.29Å; N353-L355 PolarHBondContact O-N 2.95Å; L355-L357 VanDerWaalsContact C-N 3.25Å; L355-L357 PolarHBondContact O-N 3.04Å; L355-L358 WeakPolarHBondContact O-CB 3.29Å; L355-L358 PolarHBondContact O-N 3.16Å; L355-V381 HydrophobicContact CD2-CG1 3.93Å |
| 356 | L | 86.3 | Confident | 90.6 | Very high | 105 Ų | 105 | 50.2 Ų | 50.2 | 55% | 0.55 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.8 | -28.8 | 176.8 | -70.6 | 173.9 | 0 | 0 | 0 | 112.6 | T352 N353 L358 | T352-L356 HydrophobicContact CG2-CD1 3.8Å; T352-L356 HydrophobicContact CG2-CG 4.33Å; T352-L356 WeakPolarHBondContact O-CB 3.38Å; T352-L356 VanDerWaalsContact O-CG 3.25Å; T352-L356 WeakPolarHBondContact O-CG 3.43Å; T352-L356 PolarHBondContact O-N 3.43Å; N353-L356 PolarHBondContact O-N 3.29Å; L356-L358 PolarHBondContact O-N 2.99Å |
| 357 | L | 83.4 | Confident | 90.8 | Very high | 127 Ų | 127 | 51.3 Ų | 51.3 | 67% | 0.665 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -13.5 | 172.9 | -73.5 | 172 | 0 | 0 | 0 | 113.1 | N353 L355 D359 P363 | N353-L357 VanDerWaalsContact O-CG 3.26Å; N353-L357 WeakPolarHBondContact O-CG 3.31Å; N353-L357 PolarHBondContact O-N 3Å; L355-L357 VanDerWaalsContact C-N 3.25Å; L355-L357 PolarHBondContact O-N 3.04Å; L357-D359 VanDerWaalsContact C-N 3.28Å; L357-D359 PolarHBondContact O-N 3.38Å; L357-P363 WeakPolarHBondContact O-CB 3.44Å |
| 358 | L | 84.1 | Confident | 90.9 | Very high | 24 Ų | 24 | 51.1 Ų | 51.1 | 13% | 0.126 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 24.4 | 179.1 | -61.5 | 170.3 | 0 | 0 | 0 | 112.4 | M1 M354 L355 L356 I364 D367 V381 | M1-L358 HydrophobicContact CE-CD1 3.99Å; M1-L358 HydrophobicContact SD-CB 4.11Å; M1-L358 HydrophobicContact SD-CD1 3.58Å; M1-L358 VanDerWaalsContact SD-CD1 3.58Å; M1-L358 HydrophobicContact SD-CG 4.35Å; M354-L358 WeakPolarHBondContact O-CG 3.47Å; L355-L358 WeakPolarHBondContact O-CB 3.29Å; L355-L358 PolarHBondContact O-N 3.16Å; L356-L358 PolarHBondContact O-N 2.99Å; L358-I364 HydrophobicContact CB-CG1 4.31Å; L358-I364 HydrophobicContact CD2-CG1 4.3Å; L358-I364 WeakPolarHBondContact O-CD1 3.42Å; L358-I364 WeakPolarHBondContact O-CG1 3.47Å; L358-D367 HydrophobicContact CD2-CB 4.37Å; L358-V381 HydrophobicContact CD1-CG2 4.38Å |
| 359 | D | 84.7 | Confident | 91.1 | Very high | 111 Ų | 111 | 47.8 Ų | 47.8 | 59% | 0.594 | 27% | 0.266 | S | S | * | . | trans | -87.6 | 114.9 | 175.1 | -80.1 | -24.2 | 0 | 0 | 0 | 111.8 | L357 P363 | L357-D359 VanDerWaalsContact C-N 3.28Å; L357-D359 PolarHBondContact O-N 3.38Å; D359-P363 WeakPolarHBondContact O-CG 3.33Å | ||
| 360 | G | 90 | Very high | 91.2 | Very high | 46 Ų | 46 | 47.8 Ų | 47.8 | 47% | 0.474 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 92.4 | 165.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T362 I364 | G360-T362 PolarHBondContact O-N 3.42Å; G360-I364 VanDerWaalsContact O-CD1 3.3Å; G360-I364 WeakPolarHBondContact O-CD1 3.37Å; G360-I364 VanDerWaalsContact O-CG1 3.23Å; G360-I364 WeakPolarHBondContact O-CG1 3.42Å |
| 361 | S | 92.9 | Very high | 91.3 | Very high | 14 Ų | 14 | 48 Ų | 48 | 10% | 0.098 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.6 | -33 | -172.5 | 58.3 | 0 | 0 | 0 | 0 | 114 | T26 A190 C365 | T26-S361 WeakPolarHBondContact OG1-CB 2.95Å; T26-S361 PolarHBondContact OG1-OG 3.14Å; A190-S361 WeakPolarHBondContact CB-O 3.39Å; A190-S361 WeakPolarHBondContact O-CB 3.18Å; S361-C365 WeakPolarHBondContact O-CB 3.48Å; S361-C365 PolarHBondContact O-N 3.08Å |
| 362 | T | 95 | Very high | 91.4 | Very high | 23 Ų | 23 | 46.4 Ų | 46.4 | 14% | 0.141 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.2 | -53 | -175.4 | -59 | 0 | 0 | 0 | 0 | 112.8 | T26 Y88 G360 I364 C365 E366 | T26-T362 HydrophobicContact CG2-CG2 4.34Å; T26-T362 PolarHBondContact OG1-N 3.11Å; T26-T362 PolarHBondContact OG1-OG1 2.88Å; Y88-T362 HydrophobicContact CD2-CG2 4.46Å; Y88-T362 HydrophobicContact CE2-CG2 3.93Å; G360-T362 PolarHBondContact O-N 3.42Å; T362-I364 VanDerWaalsContact C-N 3.29Å; T362-I364 PolarHBondContact O-N 2.75Å; T362-C365 PolarHBondContact O-N 3.33Å; T362-C365 VanDerWaalsContact O-N 3.1Å; T362-E366 HydrophobicContact CG2-CG 4.46Å; T362-E366 WeakPolarHBondContact CG2-OE1 3.44Å; T362-E366 PolarHBondContact O-N 2.94Å |
| 363 | P | 93.7 | Very high | 91.6 | Very high | 50 Ų | 50 | 43.6 Ų | 43.6 | 33% | 0.325 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.3 | -36.9 | 178.6 | -25.8 | 37.6 | 0 | 0 | 0 | 113.2 | L357 D359 D367 | L357-P363 WeakPolarHBondContact O-CB 3.44Å; D359-P363 WeakPolarHBondContact O-CG 3.33Å; P363-D367 WeakPolarHBondContact O-CB 3.46Å; P363-D367 PolarHBondContact O-N 3.37Å |
| 364 | I | 94.4 | Very high | 91.6 | Very high | 26 Ų | 26 | 41.1 Ų | 41.1 | 13% | 0.133 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.4 | -48.7 | 174 | -64.1 | 172 | 0 | 0 | 0 | 110.3 | E18 A190 L358 G360 T362 E366 D367 I368 | E18-I364 HydrophobicContact CB-CG2 4.42Å; E18-I364 WeakPolarHBondContact OE2-CG2 3.33Å; A190-I364 HydrophobicContact CB-CB 3.92Å; A190-I364 HydrophobicContact CB-CG2 3.6Å; L358-I364 HydrophobicContact CB-CG1 4.31Å; L358-I364 HydrophobicContact CD2-CG1 4.3Å; L358-I364 WeakPolarHBondContact O-CD1 3.42Å; L358-I364 WeakPolarHBondContact O-CG1 3.47Å; G360-I364 VanDerWaalsContact O-CD1 3.3Å; G360-I364 WeakPolarHBondContact O-CD1 3.37Å; G360-I364 VanDerWaalsContact O-CG1 3.23Å; G360-I364 WeakPolarHBondContact O-CG1 3.42Å; T362-I364 VanDerWaalsContact C-N 3.29Å; T362-I364 PolarHBondContact O-N 2.75Å; I364-E366 PolarHBondContact O-N 3.36Å; I364-D367 PolarHBondContact O-N 3.44Å; I364-I368 HydrophobicContact CG2-CD1 3.83Å; I364-I368 HydrophobicContact CG2-CG1 4.43Å; I364-I368 VanDerWaalsContact O-CG1 3.25Å; I364-I368 WeakPolarHBondContact O-CG1 3.18Å; I364-I368 PolarHBondContact O-N 2.98Å |
| 365 | C | 96.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.6 | -43.1 | -179.3 | -163.9 | 0 | 0 | 0 | 0 | 112.1 | T26 W30 A188 A190 S361 T362 I368 G369 | T26-C365 HydrophobicContact CG2-CB 3.96Å; T26-C365 PolarHBondContact O-SG 3.48Å; T26-C365 VanDerWaalsContact O-SG 3.38Å; W30-C365 HydrophobicContact CH2-CB 4.16Å; W30-C365 WeakPolarHBondContact CH2-SG 3.4Å; A188-C365 VanDerWaalsContact C-SG 3.59Å; A188-C365 PolarHBondContact O-SG 2.98Å; A188-C365 VanDerWaalsContact O-SG 3.41Å; A190-C365 HydrophobicContact CB-CB 3.96Å; S361-C365 WeakPolarHBondContact O-CB 3.48Å; S361-C365 PolarHBondContact O-N 3.08Å; T362-C365 PolarHBondContact O-N 3.33Å; T362-C365 VanDerWaalsContact O-N 3.1Å; C365-I368 PolarHBondContact O-N 2.98Å; C365-G369 PolarHBondContact O-N 2.82Å |
| 366 | E | 95.4 | Very high | 91.7 | Very high | 58 Ų | 58 | 39.5 Ų | 39.5 | 27% | 0.271 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.4 | -47.2 | 174.1 | -77.7 | 174.5 | -171.7 | 0 | 0 | 112.6 | W30 T362 I364 I368 G369 R370 | W30-E366 VanDerWaalsContact CZ2-CA 3.41Å; W30-E366 HydrophobicContact CZ2-CB 4.14Å; W30-E366 HydrophobicContact CZ2-CG 3.7Å; T362-E366 HydrophobicContact CG2-CG 4.46Å; T362-E366 WeakPolarHBondContact CG2-OE1 3.44Å; T362-E366 PolarHBondContact O-N 2.94Å; I364-E366 PolarHBondContact O-N 3.36Å; E366-I368 VanDerWaalsContact C-N 3.28Å; E366-I368 PolarHBondContact O-N 3.44Å; E366-G369 PolarHBondContact O-N 2.88Å; E366-R370 VanDerWaalsContact O-CB 3.31Å; E366-R370 WeakPolarHBondContact O-CB 3.21Å; E366-R370 PolarHBondContact O-N 2.92Å |
| 367 | D | 94.1 | Very high | 92 | Very high | 24 Ų | 24 | 39.3 Ų | 39.3 | 13% | 0.128 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.3 | -37.2 | 177.1 | -171.5 | 31.8 | 0 | 0 | 0 | 110.5 | L358 P363 I364 R370 Q371 R378 | L358-D367 HydrophobicContact CD2-CB 4.37Å; P363-D367 WeakPolarHBondContact O-CB 3.46Å; P363-D367 PolarHBondContact O-N 3.37Å; I364-D367 PolarHBondContact O-N 3.44Å; D367-R370 IonicContact OD1-CZ 2.67Å; D367-R370 IonicContact OD1-NH2 3Å; D367-R370 PolarHBondContact OD1-NH2 3.5Å; D367-Q371 VanDerWaalsContact CG-NE2 3.29Å; D367-Q371 VanDerWaalsContact O-CB 3.28Å; D367-Q371 WeakPolarHBondContact O-CB 3.47Å; D367-Q371 VanDerWaalsContact O-CG 3.28Å; D367-Q371 WeakPolarHBondContact O-CG 3.42Å; D367-Q371 PolarHBondContact O-N 3.13Å; D367-Q371 PolarHBondContact OD1-NE2 2.69Å; D367-Q371 PolarHBondContact OD2-NE2 3.3Å; D367-Q371 VanDerWaalsContact OD2-NE2 3.11Å; D367-R378 PolarHBondContact O-NH1 3.13Å; D367-R378 IonicContact OD1-NH1 3.27Å; D367-R378 IonicContact OD2-CZ 3.85Å; D367-R378 IonicContact OD2-NE 3.33Å; D367-R378 IonicContact OD2-NH1 3.93Å; D367-R378 PolarHBondContact OD2-NH1 2.96Å; D367-R378 IonicContact OD2-NH2 2.84Å; D367-R378 PolarHBondContact OD2-NH2 3.04Å |
| 368 | I | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.1 | -52.5 | 179.5 | -71 | 165.6 | 0 | 0 | 0 | 109.2 | T4 A16 E18 A188 A190 I364 C365 E366 R370 Q371 I372 R378 | T4-I368 HydrophobicContact CG2-CD1 4.35Å; T4-I368 HydrophobicContact CG2-CG1 4.3Å; T4-I368 HydrophobicContact CG2-CG2 4.21Å; A16-I368 HydrophobicContact CB-CG2 3.64Å; E18-I368 HydrophobicContact CB-CD1 3.92Å; E18-I368 HydrophobicContact CG-CD1 3.71Å; A188-I368 HydrophobicContact CB-CB 4.32Å; A188-I368 HydrophobicContact CB-CG2 3.87Å; A190-I368 HydrophobicContact CB-CD1 4.44Å; I364-I368 HydrophobicContact CG2-CD1 3.83Å; I364-I368 HydrophobicContact CG2-CG1 4.43Å; I364-I368 VanDerWaalsContact O-CG1 3.25Å; I364-I368 WeakPolarHBondContact O-CG1 3.18Å; I364-I368 PolarHBondContact O-N 2.98Å; C365-I368 PolarHBondContact O-N 2.98Å; E366-I368 VanDerWaalsContact C-N 3.28Å; E366-I368 PolarHBondContact O-N 3.44Å; I368-R370 PolarHBondContact O-N 3.29Å; I368-Q371 PolarHBondContact O-N 3.11Å; I368-I372 HydrophobicContact CG2-CD1 3.73Å; I368-I372 VanDerWaalsContact O-CG1 3.29Å; I368-I372 WeakPolarHBondContact O-CG1 3.45Å; I368-I372 PolarHBondContact O-N 2.8Å; I368-R378 VanDerWaalsContact CA-NH1 3.26Å |
| 369 | G | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.9 | -50.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C365 E366 I372 L373 | C365-G369 PolarHBondContact O-N 2.82Å; E366-G369 PolarHBondContact O-N 2.88Å; G369-I372 PolarHBondContact O-N 3.45Å; G369-L373 WeakPolarHBondContact O-CG 3.37Å; G369-L373 PolarHBondContact O-N 3.06Å; G369-L373 VanDerWaalsContact O-N 3.07Å |
| 370 | R | 94 | Very high | 92.8 | Very high | 69 Ų | 69 | 31 Ų | 31 | 26% | 0.26 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.3 | -50.4 | 178.6 | -177.8 | 178.1 | 54.6 | 64.8 | 3.7 | 112 | E366 D367 I368 I372 L373 C374 | E366-R370 VanDerWaalsContact O-CB 3.31Å; E366-R370 WeakPolarHBondContact O-CB 3.21Å; E366-R370 PolarHBondContact O-N 2.92Å; D367-R370 IonicContact OD1-CZ 2.67Å; D367-R370 IonicContact OD1-NH2 3Å; D367-R370 PolarHBondContact OD1-NH2 3.5Å; I368-R370 PolarHBondContact O-N 3.29Å; R370-I372 VanDerWaalsContact C-N 3.32Å; R370-I372 PolarHBondContact O-N 2.89Å; R370-L373 PolarHBondContact O-N 2.95Å; R370-C374 WeakPolarHBondContact O-CB 3.46Å; R370-C374 PolarHBondContact O-N 3.03Å; R370-C374 PolarHBondContact O-SG 3.3Å |
| 371 | Q | 93.7 | Very high | 92.7 | Very high | 13 Ų | 13 | 31.4 Ų | 31.4 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64 | -37.4 | -177.1 | -75.3 | -168.2 | 40.7 | 0 | 0 | 112.5 | D367 I368 L373 C374 Y375 R377 R378 | D367-Q371 VanDerWaalsContact CG-NE2 3.29Å; D367-Q371 VanDerWaalsContact O-CB 3.28Å; D367-Q371 WeakPolarHBondContact O-CB 3.47Å; D367-Q371 VanDerWaalsContact O-CG 3.28Å; D367-Q371 WeakPolarHBondContact O-CG 3.42Å; D367-Q371 PolarHBondContact O-N 3.13Å; D367-Q371 PolarHBondContact OD1-NE2 2.69Å; D367-Q371 PolarHBondContact OD2-NE2 3.3Å; D367-Q371 VanDerWaalsContact OD2-NE2 3.11Å; I368-Q371 PolarHBondContact O-N 3.11Å; Q371-L373 VanDerWaalsContact C-N 3.34Å; Q371-C374 PolarHBondContact O-N 3.05Å; Q371-Y375 HydrophobicContact CB-CD2 4.11Å; Q371-Y375 HydrophobicContact CG-CD2 4.16Å; Q371-Y375 HydrophobicContact CG-CE2 4.31Å; Q371-Y375 WeakPolarHBondContact O-CA 3.37Å; Q371-Y375 WeakPolarHBondContact O-CB 3.46Å; Q371-Y375 PolarHBondContact O-N 3.32Å; Q371-R377 CarbonylContact C-O 3.51Å; Q371-R378 VanDerWaalsContact CD-CD 3.49Å; Q371-R378 VanDerWaalsContact OE1-CD 3.23Å |
| 372 | I | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.2 | -36.3 | 177.6 | -65.6 | 174.3 | 0 | 0 | 0 | 110.8 | V6 R14 A16 V186 I368 G369 R370 G376 | V6-I372 HydrophobicContact CG2-CD1 4Å; R14-I372 HydrophobicContact CB-CG2 4.32Å; R14-I372 PolarHBondContact NH1-O 3.13Å; A16-I372 HydrophobicContact CB-CD1 3.05Å; V186-I372 HydrophobicContact CB-CG2 4.46Å; V186-I372 HydrophobicContact CG1-CB 4.16Å; V186-I372 HydrophobicContact CG1-CD1 4.13Å; V186-I372 HydrophobicContact CG1-CG2 4.07Å; V186-I372 HydrophobicContact CG2-CB 3.99Å; V186-I372 HydrophobicContact CG2-CG2 3.47Å; V186-I372 VanDerWaalsContact CG2-CG2 3.47Å; I368-I372 HydrophobicContact CG2-CD1 3.73Å; I368-I372 VanDerWaalsContact O-CG1 3.29Å; I368-I372 WeakPolarHBondContact O-CG1 3.45Å; I368-I372 PolarHBondContact O-N 2.8Å; G369-I372 PolarHBondContact O-N 3.45Å; R370-I372 VanDerWaalsContact C-N 3.32Å; R370-I372 PolarHBondContact O-N 2.89Å; I372-G376 WeakPolarHBondContact O-CA 3.33Å; I372-G376 PolarHBondContact O-N 3.45Å |
| 373 | L | 92.8 | Very high | 92.2 | Very high | 13 Ų | 13 | 38.5 Ų | 38.5 | 7% | 0.068 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.5 | -41.7 | 172.5 | -72.2 | -170.6 | 0 | 0 | 0 | 112.9 | W30 D32 Q84 V186 G369 R370 Q371 | W30-L373 HydrophobicContact CB-CD1 3.72Å; W30-L373 HydrophobicContact CB-CG 4.26Å; D32-L373 HydrophobicContact CB-CD1 4.37Å; D32-L373 HydrophobicContact CB-CD2 4.12Å; Q84-L373 HydrophobicContact CG-CD1 4.1Å; V186-L373 HydrophobicContact CB-CD2 4.46Å; V186-L373 HydrophobicContact CG2-CD2 3.52Å; V186-L373 HydrophobicContact CG2-CG 3.97Å; G369-L373 WeakPolarHBondContact O-CG 3.37Å; G369-L373 PolarHBondContact O-N 3.06Å; G369-L373 VanDerWaalsContact O-N 3.07Å; R370-L373 PolarHBondContact O-N 2.95Å; Q371-L373 VanDerWaalsContact C-N 3.34Å |
| 374 | C | 90 | Very high | 91.9 | Very high | 24 Ų | 24 | 37.3 Ų | 37.3 | 16% | 0.162 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -81 | -43.6 | -175.6 | -63.5 | 0 | 0 | 0 | 0 | 113.5 | W251 R370 Q371 | W251-C374 HydrophobicContact CB-CB 4.12Å; W251-C374 VanDerWaalsContact CD1-SG 3.53Å; W251-C374 HydrophobicContact CG-CB 3.97Å; R370-C374 WeakPolarHBondContact O-CB 3.46Å; R370-C374 PolarHBondContact O-N 3.03Å; R370-C374 PolarHBondContact O-SG 3.3Å; Q371-C374 PolarHBondContact O-N 3.05Å |
| 375 | Y | 89 | Confident | 91.6 | Very high | 55 Ų | 55 | 39 Ų | 39 | 22% | 0.216 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -109.5 | -11.4 | -172.3 | -61.4 | -67.8 | 0 | 0 | 0 | 114.3 | W251 Q371 R377 M379 | W251-Y375 HydrophobicContact CB-CE1 3.99Å; W251-Y375 WeakPolarHBondContact O-CE1 3.25Å; W251-Y375 VanDerWaalsContact O-CZ 3.3Å; W251-Y375 PolarHBondContact O-OH 2.92Å; Q371-Y375 HydrophobicContact CB-CD2 4.11Å; Q371-Y375 HydrophobicContact CG-CD2 4.16Å; Q371-Y375 HydrophobicContact CG-CE2 4.31Å; Q371-Y375 WeakPolarHBondContact O-CA 3.37Å; Q371-Y375 WeakPolarHBondContact O-CB 3.46Å; Q371-Y375 PolarHBondContact O-N 3.32Å; Y375-R377 PolarHBondContact O-N 3.43Å; Y375-M379 HydrophobicContact CD2-CE 4.05Å; Y375-M379 HydrophobicContact CE1-CE 4.48Å; Y375-M379 HydrophobicContact CE2-CE 3.51Å |
| 376 | G | 89.8 | Confident | 91.3 | Very high | 48 Ų | 48 | 41.7 Ų | 41.7 | 50% | 0.495 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 72.1 | -0 | -170 | 0 | 0 | 0 | 0 | 0 | 114.2 | I372 | I372-G376 WeakPolarHBondContact O-CA 3.33Å; I372-G376 PolarHBondContact O-N 3.45Å |
| 377 | R | 91.7 | Very high | 90.9 | Very high | 101 Ų | 101 | 43 Ų | 43 | 38% | 0.381 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -153.3 | 161.9 | 179.5 | 67.9 | -178.3 | -174.4 | 97.1 | -3 | 110.8 | Q371 Y375 E383 R387 | Q371-R377 CarbonylContact C-O 3.51Å; Y375-R377 PolarHBondContact O-N 3.43Å; R377-E383 IonicContact CZ-OE1 3.94Å; R377-E383 IonicContact CZ-OE2 3.63Å; R377-E383 IonicContact NH1-OE1 3.84Å; R377-E383 IonicContact NH1-OE2 3.83Å; R377-E383 PolarHBondContact NH1-OE2 3.06Å; R377-E383 IonicContact NH2-OE1 2.96Å; R377-E383 PolarHBondContact NH2-OE1 2.86Å; R377-E383 IonicContact NH2-OE2 2.69Å; R377-E383 PolarHBondContact NH2-OE2 3.45Å; R377-R387 VanDerWaalsContact NH2-NH2 3.2Å |
| 378 | R | 91.4 | Very high | 90.7 | Very high | 22 Ų | 22 | 42 Ų | 42 | 8% | 0.083 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -91.4 | 123.1 | 169.6 | 178 | 46.6 | 170.6 | -129.7 | 3.5 | 109.1 | T4 E18 D367 I368 Q371 | T4-R378 HydrophobicContact CG2-CB 3.93Å; T4-R378 HydrophobicContact CG2-CG 3.94Å; T4-R378 WeakPolarHBondContact OG1-CG 3.42Å; E18-R378 IonicContact OE1-NE 3.56Å; D367-R378 PolarHBondContact O-NH1 3.13Å; D367-R378 IonicContact OD1-NH1 3.27Å; D367-R378 IonicContact OD2-CZ 3.85Å; D367-R378 IonicContact OD2-NE 3.33Å; D367-R378 IonicContact OD2-NH1 3.93Å; D367-R378 PolarHBondContact OD2-NH1 2.96Å; D367-R378 IonicContact OD2-NH2 2.84Å; D367-R378 PolarHBondContact OD2-NH2 3.04Å; I368-R378 VanDerWaalsContact CA-NH1 3.26Å; Q371-R378 VanDerWaalsContact CD-CD 3.49Å; Q371-R378 VanDerWaalsContact OE1-CD 3.23Å |
| 379 | M | 89.9 | Confident | 90.3 | Very high | 19 Ų | 19 | 45.8 Ų | 45.8 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -75.4 | 124.9 | 174.4 | -68.2 | -175.8 | -65 | 0 | 0 | 109.2 | Y375 | Y375-M379 HydrophobicContact CD2-CE 4.05Å; Y375-M379 HydrophobicContact CE1-CE 4.48Å; Y375-M379 HydrophobicContact CE2-CE 3.51Å |
| 380 | P | 88.3 | Confident | 89.6 | Confident | 47 Ų | 47 | 49.4 Ų | 49.4 | 31% | 0.305 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -71 | 151.5 | 175.5 | 31.3 | -34.7 | 0 | 0 | 0 | 110.3 | H382 E383 L384 | P380-H382 VanDerWaalsContact C-N 3.26Å; P380-H382 WeakPolarHBondContact CB-CE1 3.34Å; P380-H382 WeakPolarHBondContact CG-CE1 3.33Å; P380-H382 PolarHBondContact O-N 3.22Å; P380-E383 WeakPolarHBondContact CD-OE2 3.16Å; P380-E383 HydrophobicContact CG-CB 3.75Å; P380-E383 WeakPolarHBondContact O-CB 3.33Å; P380-E383 PolarHBondContact O-N 2.78Å; P380-L384 PolarHBondContact O-N 3.37Å; P380-L384 VanDerWaalsContact O-N 3.1Å |
| 381 | V | 86.8 | Confident | 88.2 | Confident | 53 Ų | 53 | 53.3 Ų | 53.3 | 32% | 0.321 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.1 | -37.9 | -175.6 | 171.1 | 0 | 0 | 0 | 0 | 112.5 | M1 L355 L358 E383 L384 D385 | M1-V381 HydrophobicContact CE-CG2 3.25Å; M1-V381 HydrophobicContact SD-CG2 4.19Å; L355-V381 HydrophobicContact CD2-CG1 3.93Å; L358-V381 HydrophobicContact CD1-CG2 4.38Å; V381-E383 VanDerWaalsContact C-N 3.3Å; V381-E383 PolarHBondContact O-N 2.72Å; V381-L384 PolarHBondContact O-N 3.01Å; V381-D385 VanDerWaalsContact O-CB 3.32Å; V381-D385 WeakPolarHBondContact O-CB 3.41Å; V381-D385 PolarHBondContact O-N 3.01Å |
| 382 | H | 88.3 | Confident | 86.9 | Confident | 142 Ų | 142 | 55.7 Ų | 55.7 | 66% | 0.657 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.8 | -31.1 | 178.2 | 65.3 | -98.1 | 0 | 0 | 0 | 112.9 | P380 A386 | P380-H382 VanDerWaalsContact C-N 3.26Å; P380-H382 WeakPolarHBondContact CB-CE1 3.34Å; P380-H382 WeakPolarHBondContact CG-CE1 3.33Å; P380-H382 PolarHBondContact O-N 3.22Å; H382-A386 WeakPolarHBondContact O-CB 3.31Å; H382-A386 PolarHBondContact O-N 3.12Å |
| 383 | E | 89.8 | Confident | 85.1 | Confident | 44 Ų | 44 | 61.9 Ų | 61.9 | 21% | 0.206 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -72.3 | -43.2 | 174.9 | -175.6 | -169.5 | 152.6 | 0 | 0 | 110 | R377 P380 V381 D385 A386 R387 | R377-E383 IonicContact CZ-OE1 3.94Å; R377-E383 IonicContact CZ-OE2 3.63Å; R377-E383 IonicContact NH1-OE1 3.84Å; R377-E383 IonicContact NH1-OE2 3.83Å; R377-E383 PolarHBondContact NH1-OE2 3.06Å; R377-E383 IonicContact NH2-OE1 2.96Å; R377-E383 PolarHBondContact NH2-OE1 2.86Å; R377-E383 IonicContact NH2-OE2 2.69Å; R377-E383 PolarHBondContact NH2-OE2 3.45Å; P380-E383 WeakPolarHBondContact CD-OE2 3.16Å; P380-E383 HydrophobicContact CG-CB 3.75Å; P380-E383 WeakPolarHBondContact O-CB 3.33Å; P380-E383 PolarHBondContact O-N 2.78Å; V381-E383 VanDerWaalsContact C-N 3.3Å; V381-E383 PolarHBondContact O-N 2.72Å; E383-D385 VanDerWaalsContact C-N 3.3Å; E383-D385 PolarHBondContact O-N 2.89Å; E383-A386 PolarHBondContact O-N 3.18Å; E383-R387 WeakPolarHBondContact O-CG 3.42Å; E383-R387 PolarHBondContact O-N 3.16Å; E383-R387 IonicContact OE1-CZ 2.83Å; E383-R387 VanDerWaalsContact OE1-CZ 3.27Å; E383-R387 IonicContact OE1-NE 3.64Å; E383-R387 PolarHBondContact OE1-NE 3.05Å; E383-R387 IonicContact OE1-NH2 3.59Å; E383-R387 PolarHBondContact OE1-NH2 3.19Å |
| 384 | L | 86.9 | Confident | 83.4 | Confident | 25 Ų | 25 | 62 Ų | 62 | 13% | 0.131 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 174.7 | 175.6 | 63.4 | 0 | 0 | 0 | 111.2 | I257 M354 P380 V381 R387 I388 | I257-L384 HydrophobicContact CD1-CD1 4.12Å; M354-L384 HydrophobicContact CE-CD1 3.8Å; M354-L384 HydrophobicContact CE-CD2 3.48Å; M354-L384 VanDerWaalsContact CE-CD2 3.48Å; M354-L384 HydrophobicContact CE-CG 4.19Å; M354-L384 HydrophobicContact SD-CD1 4.14Å; M354-L384 HydrophobicContact SD-CD2 3.72Å; M354-L384 HydrophobicContact SD-CG 4.22Å; P380-L384 PolarHBondContact O-N 3.37Å; P380-L384 VanDerWaalsContact O-N 3.1Å; V381-L384 PolarHBondContact O-N 3.01Å; L384-R387 WeakPolarHBondContact O-CB 3.44Å; L384-R387 PolarHBondContact O-N 2.77Å; L384-I388 HydrophobicContact CD1-CD1 4.19Å; L384-I388 HydrophobicContact CD1-CG1 4.45Å; L384-I388 HydrophobicContact CG-CD1 4.07Å; L384-I388 VanDerWaalsContact O-CG1 3.32Å; L384-I388 WeakPolarHBondContact O-CG1 3.49Å; L384-I388 PolarHBondContact O-N 2.69Å |
| 385 | D | 88.3 | Confident | 81.6 | Confident | 62 Ų | 62 | 65.2 Ų | 65.2 | 33% | 0.332 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.3 | -48.2 | 176.1 | -169.9 | 37.9 | 0 | 0 | 0 | 111.6 | R351 V381 E383 R387 I388 D389 | R351-D385 WeakPolarHBondContact CD-OD1 3.49Å; R351-D385 IonicContact CZ-OD1 2.61Å; R351-D385 IonicContact NE-OD1 2.61Å; R351-D385 PolarHBondContact NE-OD1 3.06Å; R351-D385 IonicContact NH2-OD1 2.7Å; R351-D385 PolarHBondContact NH2-OD1 2.81Å; V381-D385 VanDerWaalsContact O-CB 3.32Å; V381-D385 WeakPolarHBondContact O-CB 3.41Å; V381-D385 PolarHBondContact O-N 3.01Å; E383-D385 VanDerWaalsContact C-N 3.3Å; E383-D385 PolarHBondContact O-N 2.89Å; D385-R387 VanDerWaalsContact C-N 3.3Å; D385-R387 PolarHBondContact O-N 3.28Å; D385-I388 PolarHBondContact O-N 3.22Å; D385-I388 VanDerWaalsContact O-N 3.14Å; D385-D389 PolarHBondContact O-N 3.46Å |
| 386 | A | 89.6 | Confident | 79.8 | Confident | 57 Ų | 57 | 63.7 Ų | 63.7 | 47% | 0.471 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.6 | -36.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | H382 E383 D389 V390 | H382-A386 WeakPolarHBondContact O-CB 3.31Å; H382-A386 PolarHBondContact O-N 3.12Å; E383-A386 PolarHBondContact O-N 3.18Å; A386-D389 PolarHBondContact O-N 3.44Å; A386-V390 WeakPolarHBondContact O-CG2 3.29Å; A386-V390 PolarHBondContact O-N 2.89Å |
| 387 | R | 88.8 | Confident | 77.4 | Confident | 85 Ų | 85 | 64.8 Ų | 64.8 | 32% | 0.321 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 174 | -73.3 | 175.3 | -177.2 | -134.2 | 1.1 | 110.9 | I257 R377 E383 L384 D385 D389 V390 F392 | I257-R387 HydrophobicContact CG1-CB 4.44Å; R377-R387 VanDerWaalsContact NH2-NH2 3.2Å; E383-R387 WeakPolarHBondContact O-CG 3.42Å; E383-R387 PolarHBondContact O-N 3.16Å; E383-R387 IonicContact OE1-CZ 2.83Å; E383-R387 VanDerWaalsContact OE1-CZ 3.27Å; E383-R387 IonicContact OE1-NE 3.64Å; E383-R387 PolarHBondContact OE1-NE 3.05Å; E383-R387 IonicContact OE1-NH2 3.59Å; E383-R387 PolarHBondContact OE1-NH2 3.19Å; L384-R387 WeakPolarHBondContact O-CB 3.44Å; L384-R387 PolarHBondContact O-N 2.77Å; D385-R387 VanDerWaalsContact C-N 3.3Å; D385-R387 PolarHBondContact O-N 3.28Å; R387-D389 PolarHBondContact O-N 3.04Å; R387-V390 PolarHBondContact O-N 3.07Å; R387-F392 WeakPolarHBondContact O-CE2 3.33Å; R387-F392 WeakPolarHBondContact O-CZ 3.28Å |
| 388 | I | 89.3 | Confident | 74.5 | Confident | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63 | -34.8 | 177.3 | -67.1 | 167 | 0 | 0 | 0 | 110.8 | I257 I261 K347 L350 R351 M354 L384 D385 V390 | I257-I388 HydrophobicContact CG2-CG1 4.03Å; I261-I388 HydrophobicContact CD1-CG2 4.48Å; K347-I388 HydrophobicContact CB-CG2 3.68Å; K347-I388 HydrophobicContact CD-CG2 4.34Å; K347-I388 VanDerWaalsContact CD-O 3.29Å; K347-I388 WeakPolarHBondContact CD-O 3.49Å; K347-I388 WeakPolarHBondContact CE-O 3.48Å; K347-I388 HydrophobicContact CG-CG2 3.74Å; K347-I388 PolarHBondContact NZ-O 3.32Å; L350-I388 HydrophobicContact CD2-CD1 4.06Å; L350-I388 HydrophobicContact CD2-CG1 4.16Å; L350-I388 HydrophobicContact CG-CD1 4.21Å; R351-I388 HydrophobicContact CG-CD1 4.07Å; R351-I388 HydrophobicContact CG-CG2 4.38Å; M354-I388 HydrophobicContact SD-CD1 4.04Å; L384-I388 HydrophobicContact CD1-CD1 4.19Å; L384-I388 HydrophobicContact CD1-CG1 4.45Å; L384-I388 HydrophobicContact CG-CD1 4.07Å; L384-I388 VanDerWaalsContact O-CG1 3.32Å; L384-I388 WeakPolarHBondContact O-CG1 3.49Å; L384-I388 PolarHBondContact O-N 2.69Å; D385-I388 PolarHBondContact O-N 3.22Å; D385-I388 VanDerWaalsContact O-N 3.14Å; I388-V390 VanDerWaalsContact C-N 3.3Å; I388-V390 PolarHBondContact O-N 2.97Å |
| 389 | D | 86.7 | Confident | 71.7 | Confident | 80 Ų | 80 | 66.7 Ų | 66.7 | 43% | 0.428 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.7 | -24.1 | 179.8 | -90.5 | -32.8 | 0 | 0 | 0 | 114.7 | K347 R351 D385 A386 R387 N391 | K347-D389 PolarHBondContact NZ-O 2.91Å; R351-D389 IonicContact CZ-OD1 3.75Å; R351-D389 IonicContact NH1-OD1 2.8Å; R351-D389 IonicContact NH2-OD1 2.7Å; R351-D389 PolarHBondContact NH2-OD1 3.18Å; R351-D389 IonicContact NH2-OD2 3.01Å; R351-D389 PolarHBondContact NH2-OD2 2.85Å; D385-D389 PolarHBondContact O-N 3.46Å; A386-D389 PolarHBondContact O-N 3.44Å; R387-D389 PolarHBondContact O-N 3.04Å; D389-N391 PolarHBondContact O-N 2.61Å |
| 390 | V | 81.4 | Confident | 68.6 | Low | 77 Ų | 77 | 75.6 Ų | 75.6 | 47% | 0.467 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -56.1 | 142.4 | 179.7 | 177.7 | 0 | 0 | 0 | 0 | 110.5 | K347 A386 R387 I388 F392 | K347-V390 PolarHBondContact NZ-O 3.14Å; A386-V390 WeakPolarHBondContact O-CG2 3.29Å; A386-V390 PolarHBondContact O-N 2.89Å; R387-V390 PolarHBondContact O-N 3.07Å; I388-V390 VanDerWaalsContact C-N 3.3Å; I388-V390 PolarHBondContact O-N 2.97Å; V390-F392 HydrophobicContact CB-CE1 3.97Å; V390-F392 HydrophobicContact CB-CE2 3.96Å; V390-F392 HydrophobicContact CB-CZ 3.64Å; V390-F392 HydrophobicContact CG1-CD1 4.26Å; V390-F392 HydrophobicContact CG1-CE1 3.92Å; V390-F392 HydrophobicContact CG1-CZ 4.12Å; V390-F392 WeakPolarHBondContact O-CD2 3.38Å; V390-F392 WeakPolarHBondContact O-CE2 3.35Å; V390-F392 PolarHBondContact O-N 3.43Å |
| 391 | N | 64.3 | Low | 65.8 | Low | 150 Ų | 150 | 76.3 Ų | 76.3 | 80% | 0.802 | 42% | 0.424 | S | S | * | . | trans | -76.3 | 122.6 | 172.6 | -75 | -17.2 | 0 | 0 | 0 | 109.2 | D389 | D389-N391 PolarHBondContact O-N 2.61Š| ||
| 392 | F | 66.5 | Low | 63.1 | Low | 64 Ų | 64 | 81.9 Ų | 81.9 | 28% | 0.281 | 44% | 0.44 | S | S | . | . | trans | -116.7 | 149.3 | -177 | -59.6 | -74.2 | 0 | 0 | 0 | 111 | I257 P258 I261 R387 V390 | I257-F392 HydrophobicContact CB-CZ 4.23Å; I257-F392 HydrophobicContact CG2-CE2 3.89Å; I257-F392 HydrophobicContact CG2-CZ 3.94Å; P258-F392 HydrophobicContact CB-CB 4.31Å; P258-F392 HydrophobicContact CB-CG 4.48Å; P258-F392 HydrophobicContact CG-CB 3.81Å; P258-F392 HydrophobicContact CG-CD1 3.53Å; P258-F392 HydrophobicContact CG-CD2 4.2Å; P258-F392 HydrophobicContact CG-CE1 4.02Å; P258-F392 HydrophobicContact CG-CG 3.6Å; I261-F392 HydrophobicContact CD1-CD2 4.21Å; I261-F392 HydrophobicContact CD1-CE2 4.3Å; R387-F392 WeakPolarHBondContact O-CE2 3.33Å; R387-F392 WeakPolarHBondContact O-CZ 3.28Å; V390-F392 HydrophobicContact CB-CE1 3.97Å; V390-F392 HydrophobicContact CB-CE2 3.96Å; V390-F392 HydrophobicContact CB-CZ 3.64Å; V390-F392 HydrophobicContact CG1-CD1 4.26Å; V390-F392 HydrophobicContact CG1-CE1 3.92Å; V390-F392 HydrophobicContact CG1-CZ 4.12Å; V390-F392 WeakPolarHBondContact O-CD2 3.38Å; V390-F392 WeakPolarHBondContact O-CE2 3.35Å; V390-F392 PolarHBondContact O-N 3.43Å | ||
| 393 | V | 57.3 | Low | 60 | Low | 129 Ų | 129 | 79.8 Ų | 79.8 | 78% | 0.782 | 44% | 0.442 | S | S | * | . | trans | -95.9 | 113.3 | 160.3 | 178.5 | 0 | 0 | 0 | 0 | 106.4 | S395 | V393-S395 PolarHBondContact O-N 3.12Š| ||
| 394 | I | 57.4 | Low | 57 | Low | 15 Ų | 15 | 84.6 Ų | 84.6 | 8% | 0.077 | 47% | 0.469 | C | S | . | . | trans | -75.4 | 98.4 | 172.9 | -59.7 | 168.4 | 0 | 0 | 0 | 107.3 | P258 A262 I334 I396 | P258-I394 HydrophobicContact CB-CG1 4.17Å; A262-I394 HydrophobicContact CB-CD1 4.28Å; A262-I394 HydrophobicContact CB-CG2 4.16Å; I334-I394 HydrophobicContact CG2-CB 4.4Å; I334-I394 HydrophobicContact CG2-CD1 4.01Å; I334-I394 HydrophobicContact CG2-CG2 3.88Å; I394-I396 HydrophobicContact CG2-CG1 4.19Å | ||
| 395 | S | 53 | Low | 54.1 | Low | 93 Ų | 93 | 92.4 Ų | 92.4 | 65% | 0.65 | 50% | 0.502 | S | S | * | . | trans | -101.1 | 93.3 | 170.7 | 163.3 | 0 | 0 | 0 | 0 | 108.9 | V393 A397 | V393-S395 PolarHBondContact O-N 3.12Å; S395-A397 PolarHBondContact O-N 3.19Å; S395-A397 VanDerWaalsContact O-N 3.1Å | ||
| 396 | I | 51.1 | Low | 51 | Low | 22 Ų | 22 | 100.7 Ų | 100.7 | 11% | 0.113 | 53% | 0.529 | C | S | . | . | trans | -74.1 | 102.9 | 161 | -53.9 | 167.5 | 0 | 0 | 0 | 105 | V246 W309 W331 C335 I394 N398 | V246-I396 HydrophobicContact CG2-CG2 4.04Å; W309-I396 HydrophobicContact CE3-CD1 4.44Å; W309-I396 HydrophobicContact CH2-CD1 3.44Å; W309-I396 VanDerWaalsContact CH2-CD1 3.44Å; W309-I396 HydrophobicContact CZ2-CD1 4.19Å; W309-I396 HydrophobicContact CZ3-CD1 3.6Å; W309-I396 HydrophobicContact CZ3-CG1 4.46Å; W331-I396 HydrophobicContact CB-CD1 4.2Å; W331-I396 HydrophobicContact CG-CD1 4.43Å; C335-I396 WeakPolarHBondContact SG-CB 3.48Å; I394-I396 HydrophobicContact CG2-CG1 4.19Å; I396-N398 PolarHBondContact O-N 3.29Å | ||
| 397 | A | 38.6 | Very low | 48 | Very low | 71 Ų | 71 | 110.9 Ų | 110.9 | 59% | 0.587 | 57% | 0.566 | S | S | * | * | trans | -57.3 | 116 | 175.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | S395 S399 | S395-A397 PolarHBondContact O-N 3.19Å; S395-A397 VanDerWaalsContact O-N 3.1Å; A397-S399 VanDerWaalsContact C-N 3.31Å; A397-S399 PolarHBondContact O-N 3.12Å | ||
| 398 | N | 31.9 | Very low | 46 | Very low | 125 Ų | 125 | 112.2 Ų | 112.2 | 67% | 0.668 | 58% | 0.579 | S | S | * | * | trans | -52.5 | 106.6 | 161.8 | -77.5 | -48.4 | 0 | 0 | 0 | 105.2 | I396 K400 | I396-N398 PolarHBondContact O-N 3.29Å; N398-K400 PolarHBondContact O-N 3.47Å | ||
| 399 | S | 30.9 | Very low | 43.7 | Very low | 39 Ų | 39 | 117.9 Ų | 117.9 | 27% | 0.273 | 61% | 0.609 | S | S | . | * | trans | -48 | 119.1 | 165.5 | 59.1 | 0 | 0 | 0 | 0 | 105.1 | A397 S401 | A397-S399 VanDerWaalsContact C-N 3.31Å; A397-S399 PolarHBondContact O-N 3.12Å; S399-S401 PolarHBondContact O-N 3.09Å; S399-S401 PolarHBondContact O-OG 3.2Å; S399-S401 PolarHBondContact OG-OG 2.77Å; S399-S401 VanDerWaalsContact OG-OG 3.06Å | ||
| 400 | K | 25.6 | Very low | 41.3 | Very low | 205 Ų | 205 | 120.1 Ų | 120.1 | 89% | 0.891 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 21.8 | -174.9 | -85.3 | -178.6 | 173.2 | 175.7 | 0 | 113.5 | N398 | N398-K400 PolarHBondContact O-N 3.47Š|
| 401 | S | 28.7 | Very low | 38.9 | Very low | 62 Ų | 62 | 122.6 Ų | 122.6 | 43% | 0.434 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.7 | -8.9 | -179.2 | 35.5 | 0 | 0 | 0 | 0 | 115 | S399 | S399-S401 PolarHBondContact O-N 3.09Å; S399-S401 PolarHBondContact O-OG 3.2Å; S399-S401 PolarHBondContact OG-OG 2.77Å; S399-S401 VanDerWaalsContact OG-OG 3.06Å |
| 402 | Y | 29.9 | Very low | 37.4 | Very low | 171 Ų | 171 | 120.9 Ų | 120.9 | 67% | 0.671 | 62% | 0.617 | S | S | * | * | trans | -107.8 | 27.6 | -176.1 | -66.3 | -75.8 | 0 | 0 | 0 | 116.3 | ||||
| 403 | S | 24.6 | Very low | 35.4 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 69% | 0.685 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -87.3 | 4 | 169 | 54.2 | 0 | 0 | 0 | 0 | 114.9 | ||
| 404 | N | 25.4 | Very low | 33.8 | Very low | 144 Ų | 144 | 124.4 Ų | 124.4 | 77% | 0.77 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -107.5 | 23.6 | -179.8 | -78.5 | -7.6 | 0 | 0 | 0 | 115.3 | ||
| 405 | F | 28 | Very low | 32 | Very low | 189 Ų | 189 | 132.8 Ų | 132.8 | 83% | 0.829 | 67% | 0.671 | S | S | * | * | trans | -120.8 | 61.4 | 163.1 | -75.1 | -79.2 | 0 | 0 | 0 | 110.7 | ||||
| 406 | R | 21.9 | Very low | 30.3 | Very low | 237 Ų | 237 | 136.1 Ų | 136.1 | 89% | 0.894 | 67% | 0.673 | S | S | * | * | trans | -141.7 | 76.3 | 155.9 | -81.1 | -166.7 | 176.4 | -173.4 | -1.1 | 108.3 | ||||
| 407 | Q | 26.9 | Very low | 28.4 | Very low | 270 Ų | 270 | 146.5 Ų | 146.5 | 100% | 1.262 | 72% | 0.724 | S | S | * | * | trans | -179.3 | 0 | 141.6 | -101.2 | 170.8 | 22.2 | 0 | 0 | 110.4 |
Retrieved 407 of 407 residues in 199.3 ms
(Link to these results)