| 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 | 33 | Very low | 53.5 | Low | 188 Ų | 188 | 90.3 Ų | 90.3 | 93% | 0.926 | 47% | 0.472 | S | S | * | . | 0 | -49 | 0 | -79.7 | -79.4 | 164.9 | 0 | 0 | 110.8 | D4 H5 | M1-D4 PolarHBondContact O-N 3.36Å; M1-H5 PolarHBondContact O-CE1 3.32Å; M1-H5 PolarHBondContact O-N 3.35Å; M1-H5 PolarHBondContact O-ND1 2.96Å | |||
| 2 | S | 40.9 | Very low | 54.6 | Low | 92 Ų | 92 | 86.4 Ų | 86.4 | 64% | 0.643 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -58.1 | -44.9 | 177.1 | 17.1 | 0 | 0 | 0 | 0 | 114.2 | D4 H5 S6 | S2-D4 VanDerWaalsContact C-N 3.31Å; S2-D4 PolarHBondContact O-N 3.19Å; S2-H5 PolarHBondContact O-N 2.73Å; S2-S6 PolarHBondContact O-N 3.45Å; S2-S6 VanDerWaalsContact O-N 3.16Å |
| 3 | D | 41.8 | Very low | 55.5 | Low | 124 Ų | 124 | 79.8 Ų | 79.8 | 66% | 0.663 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -67.2 | -31.8 | -177 | -56.4 | -30.7 | 0 | 0 | 0 | 113.4 | H5 S6 N7 | D3-H5 VanDerWaalsContact C-N 3.33Å; D3-S6 PolarHBondContact O-N 3.23Å; D3-N7 PolarHBondContact O-N 2.9Å; D3-N7 VanDerWaalsContact O-N 3.16Å |
| 4 | D | 51.9 | Low | 56.3 | Low | 102 Ų | 102 | 83.6 Ų | 83.6 | 55% | 0.545 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.1 | -33.4 | 178.1 | -148.7 | 13.8 | 0 | 0 | 0 | 111.1 | M1 S2 Q8 | M1-D4 PolarHBondContact O-N 3.36Å; S2-D4 VanDerWaalsContact C-N 3.31Å; S2-D4 PolarHBondContact O-N 3.19Å; D4-Q8 WeakPolarHBondContact O-CB 3.3Å; D4-Q8 VanDerWaalsContact O-CG 3.25Å; D4-Q8 WeakPolarHBondContact O-CG 3.36Å; D4-Q8 PolarHBondContact O-N 2.86Å |
| 5 | H | 56.6 | Low | 56.9 | Low | 52 Ų | 52 | 84.9 Ų | 84.9 | 24% | 0.241 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -73.6 | -37.8 | 175 | -64.6 | 103.7 | 0 | 0 | 0 | 112.5 | M1 S2 D3 Q8 L9 I58 | M1-H5 PolarHBondContact O-CE1 3.32Å; M1-H5 PolarHBondContact O-N 3.35Å; M1-H5 PolarHBondContact O-ND1 2.96Å; S2-H5 PolarHBondContact O-N 2.73Å; D3-H5 VanDerWaalsContact C-N 3.33Å; H5-Q8 PolarHBondContact O-N 3.43Å; H5-L9 VanDerWaalsContact O-CG 3.31Å; H5-L9 WeakPolarHBondContact O-CG 3.34Å; H5-L9 PolarHBondContact O-N 2.92Å; H5-I58 HydrophobicContact CB-CD1 4.43Å |
| 6 | S | 56 | Low | 57.5 | Low | 66 Ų | 66 | 85.1 Ų | 85.1 | 46% | 0.462 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 176.3 | -171.1 | 0 | 0 | 0 | 0 | 111.2 | S2 D3 Q8 L9 S10 | S2-S6 PolarHBondContact O-N 3.45Å; S2-S6 VanDerWaalsContact O-N 3.16Å; D3-S6 PolarHBondContact O-N 3.23Å; S6-Q8 PolarHBondContact O-N 3.45Å; S6-L9 PolarHBondContact O-N 2.72Å; S6-S10 PolarHBondContact O-N 3.31Å; S6-S10 PolarHBondContact O-OG 3.17Å |
| 7 | N | 58.3 | Low | 58.6 | Low | 95 Ų | 95 | 85.1 Ų | 85.1 | 51% | 0.508 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.3 | -32.9 | 174.9 | -84.7 | -30.2 | 0 | 0 | 0 | 113.6 | D3 S10 R11 | D3-N7 PolarHBondContact O-N 2.9Å; D3-N7 VanDerWaalsContact O-N 3.16Å; N7-S10 WeakPolarHBondContact CA-OG 3.41Å; N7-S10 PolarHBondContact O-OG 3.12Å; N7-R11 WeakPolarHBondContact O-CG 3.47Å; N7-R11 PolarHBondContact O-N 3.01Å |
| 8 | Q | 61.4 | Low | 59.7 | Low | 31 Ų | 31 | 81.3 Ų | 81.3 | 15% | 0.145 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68.4 | -38.9 | 172.8 | -78.9 | 177.5 | 18.7 | 0 | 0 | 112.3 | D4 H5 S6 L12 I64 | D4-Q8 WeakPolarHBondContact O-CB 3.3Å; D4-Q8 VanDerWaalsContact O-CG 3.25Å; D4-Q8 WeakPolarHBondContact O-CG 3.36Å; D4-Q8 PolarHBondContact O-N 2.86Å; H5-Q8 PolarHBondContact O-N 3.43Å; S6-Q8 PolarHBondContact O-N 3.45Å; Q8-L12 PolarHBondContact O-N 3.14Å; Q8-I64 HydrophobicContact CB-CD1 4.25Å |
| 9 | L | 62.8 | Low | 60.6 | Low | 1 Ų | 1 | 81.5 Ų | 81.5 | 1% | 0.005 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -68.7 | -43.1 | 177.7 | -72.3 | 170.1 | 0 | 0 | 0 | 111.4 | H5 S6 R11 L12 F13 V40 V56 | H5-L9 VanDerWaalsContact O-CG 3.31Å; H5-L9 WeakPolarHBondContact O-CG 3.34Å; H5-L9 PolarHBondContact O-N 2.92Å; S6-L9 PolarHBondContact O-N 2.72Å; L9-R11 VanDerWaalsContact C-N 3.32Å; L9-R11 PolarHBondContact O-N 3.04Å; L9-L12 WeakPolarHBondContact O-CB 3.48Å; L9-L12 PolarHBondContact O-N 3.16Å; L9-F13 HydrophobicContact CD2-CE2 4.39Å; L9-F13 VanDerWaalsContact O-CD2 3.27Å; L9-F13 WeakPolarHBondContact O-CD2 3.32Å; L9-F13 PolarHBondContact O-N 2.89Å; L9-V40 HydrophobicContact CD1-CG2 4.04Å; L9-V40 HydrophobicContact CD2-CG2 4.16Å; L9-V56 HydrophobicContact CD2-CB 4.05Å; L9-V56 HydrophobicContact CD2-CG1 3.73Å; L9-V56 HydrophobicContact CD2-CG2 4.1Å |
| 10 | S | 62 | Low | 61.6 | Low | 44 Ų | 44 | 79.1 Ų | 79.1 | 31% | 0.308 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 176.4 | 65.9 | 0 | 0 | 0 | 0 | 111.8 | S6 N7 L12 F13 Y14 | S6-S10 PolarHBondContact O-N 3.31Å; S6-S10 PolarHBondContact O-OG 3.17Å; N7-S10 WeakPolarHBondContact CA-OG 3.41Å; N7-S10 PolarHBondContact O-OG 3.12Å; S10-L12 VanDerWaalsContact C-N 3.28Å; S10-L12 PolarHBondContact O-N 3.34Å; S10-F13 PolarHBondContact O-N 3.29Å; S10-Y14 WeakPolarHBondContact O-CB 3.19Å; S10-Y14 PolarHBondContact O-N 3.17Å; S10-Y14 VanDerWaalsContact O-N 3.15Å |
| 11 | R | 63.8 | Low | 62.2 | Low | 198 Ų | 198 | 75.7 Ų | 75.7 | 75% | 0.747 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.1 | -27.3 | 173.2 | -75.1 | 178.4 | -177 | 171.9 | 3.5 | 114.1 | N7 L9 P15 | N7-R11 WeakPolarHBondContact O-CG 3.47Å; N7-R11 PolarHBondContact O-N 3.01Å; L9-R11 VanDerWaalsContact C-N 3.32Å; L9-R11 PolarHBondContact O-N 3.04Å; R11-P15 WeakPolarHBondContact O-CD 3.46Å; R11-P15 WeakPolarHBondContact O-CG 3.45Å |
| 12 | L | 66.2 | Low | 64.5 | Low | 44 Ų | 44 | 68.1 Ų | 68.1 | 23% | 0.23 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -74.3 | -36.9 | -179.5 | -168 | 83 | 0 | 0 | 0 | 112.7 | Q8 L9 S10 I64 K66 | Q8-L12 PolarHBondContact O-N 3.14Å; L9-L12 WeakPolarHBondContact O-CB 3.48Å; L9-L12 PolarHBondContact O-N 3.16Å; S10-L12 VanDerWaalsContact C-N 3.28Å; S10-L12 PolarHBondContact O-N 3.34Å; L12-I64 HydrophobicContact CD1-CB 4Å; L12-I64 HydrophobicContact CD1-CD1 4.1Å; L12-I64 HydrophobicContact CD1-CG2 3.82Å; L12-I64 HydrophobicContact CD2-CG2 3.75Å; L12-I64 HydrophobicContact CG-CG2 4.4Å; L12-K66 HydrophobicContact CD2-CB 4.43Å; L12-K66 HydrophobicContact CD2-CD 4.13Å |
| 13 | F | 67.4 | Low | 66.5 | Low | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -99.9 | -26.5 | -170.9 | -67.3 | -75.9 | 0 | 0 | 0 | 113.8 | L9 S10 P15 I16 E18 V20 V40 T42 Y54 V56 K66 | L9-F13 HydrophobicContact CD2-CE2 4.39Å; L9-F13 VanDerWaalsContact O-CD2 3.27Å; L9-F13 WeakPolarHBondContact O-CD2 3.32Å; L9-F13 PolarHBondContact O-N 2.89Å; S10-F13 PolarHBondContact O-N 3.29Å; F13-P15 VanDerWaalsContact C-CD 3.4Å; F13-P15 VanDerWaalsContact C-N 3.33Å; F13-I16 PolarHBondContact O-N 3.46Å; F13-E18 CarbonylContact C-O 3.48Å; F13-E18 HydrophobicContact CB-CB 4.13Å; F13-E18 WeakPolarHBondContact CB-O 3.49Å; F13-E18 PolarHBondContact O-N 3.43Å; F13-E18 VanDerWaalsContact O-O 3.11Å; F13-V20 HydrophobicContact CB-CG2 4.18Å; F13-V20 HydrophobicContact CD2-CG2 3.51Å; F13-V20 HydrophobicContact CE2-CG2 4.27Å; F13-V20 HydrophobicContact CG-CG2 4.19Å; F13-V40 HydrophobicContact CE2-CG1 4.34Å; F13-T42 HydrophobicContact CB-CG2 4.3Å; F13-T42 HydrophobicContact CD1-CG2 3.7Å; F13-T42 HydrophobicContact CD2-CG2 3.92Å; F13-T42 HydrophobicContact CE1-CG2 3.89Å; F13-T42 HydrophobicContact CE2-CG2 4.1Å; F13-T42 HydrophobicContact CG-CG2 3.72Å; F13-T42 HydrophobicContact CZ-CG2 4.08Å; F13-Y54 HydrophobicContact CD1-CD2 4.46Å; F13-Y54 HydrophobicContact CD1-CE2 4.42Å; F13-Y54 AromaticContact CE1-CD2 3.47Å; F13-Y54 HydrophobicContact CE1-CD2 3.47Å; F13-Y54 VanDerWaalsContact CE1-CD2 3.47Å; F13-Y54 AromaticContact CE1-CE2 3.73Å; F13-Y54 HydrophobicContact CE1-CE2 3.73Å; F13-Y54 AromaticContact CE1-CG 3.93Å; F13-Y54 HydrophobicContact CE1-CG 3.93Å; F13-Y54 AromaticContact CZ-CD2 3.83Å; F13-Y54 HydrophobicContact CZ-CD2 3.83Å; F13-Y54 HydrophobicContact CZ-CG 4.03Å; F13-V56 HydrophobicContact CE2-CG2 4.34Å; F13-V56 HydrophobicContact CZ-CG2 4.08Å; F13-K66 HydrophobicContact CE1-CD 4.19Å |
| 14 | Y | 65.5 | Low | 68.5 | Low | 133 Ų | 133 | 60 Ų | 60 | 52% | 0.522 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -52.2 | -41.9 | 175.3 | -125.9 | -92.4 | 0 | 0 | 0 | 114.3 | S10 I16 N17 E18 R19 | S10-Y14 WeakPolarHBondContact O-CB 3.19Å; S10-Y14 PolarHBondContact O-N 3.17Å; S10-Y14 VanDerWaalsContact O-N 3.15Å; Y14-I16 PolarHBondContact O-N 2.94Å; Y14-I16 VanDerWaalsContact O-N 3.12Å; Y14-N17 PolarHBondContact O-N 3.06Å; Y14-N17 VanDerWaalsContact O-N 3.13Å; Y14-E18 PolarHBondContact N-O 2.91Å; Y14-R19 HydrophobicContact CE2-CG 4.28Å |
| 15 | P | 66.3 | Low | 70 | Confident | 104 Ų | 104 | 55.3 Ų | 55.3 | 68% | 0.675 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -63.6 | -17.1 | 178.6 | -22.7 | 33.7 | 0 | 0 | 0 | 114.6 | R11 F13 | R11-P15 WeakPolarHBondContact O-CD 3.46Å; R11-P15 WeakPolarHBondContact O-CG 3.45Å; F13-P15 VanDerWaalsContact C-CD 3.4Å; F13-P15 VanDerWaalsContact C-N 3.33Å |
| 16 | I | 66.5 | Low | 71.4 | Confident | 87 Ų | 87 | 52.9 Ų | 52.9 | 45% | 0.446 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -104.8 | 15.1 | -176.9 | -45.3 | 172.8 | 0 | 0 | 0 | 109.8 | F13 Y14 E18 | F13-I16 PolarHBondContact O-N 3.46Å; Y14-I16 PolarHBondContact O-N 2.94Å; Y14-I16 VanDerWaalsContact O-N 3.12Å; I16-E18 PolarHBondContact O-N 3.18Å |
| 17 | N | 75.6 | Confident | 72.6 | Confident | 86 Ų | 86 | 52.9 Ų | 52.9 | 46% | 0.46 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 35.7 | -174.6 | -66.9 | -26.3 | 0 | 0 | 0 | 112.9 | Y14 L45 T46 | Y14-N17 PolarHBondContact O-N 3.06Å; Y14-N17 VanDerWaalsContact O-N 3.13Å; N17-L45 HydrophobicContact CB-CB 4.48Å; N17-L45 WeakPolarHBondContact O-CB 3.44Å; N17-L45 PolarHBondContact O-N 3.45Å; N17-T46 HydrophobicContact CB-CG2 4.18Å |
| 18 | E | 78 | Confident | 73.1 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 130.4 | 175.8 | -72.7 | -175.4 | -173 | 0 | 0 | 110.3 | F13 Y14 I16 T42 I43 Y54 | F13-E18 CarbonylContact C-O 3.48Å; F13-E18 HydrophobicContact CB-CB 4.13Å; F13-E18 WeakPolarHBondContact CB-O 3.49Å; F13-E18 PolarHBondContact O-N 3.43Å; F13-E18 VanDerWaalsContact O-O 3.11Å; Y14-E18 PolarHBondContact N-O 2.91Å; I16-E18 PolarHBondContact O-N 3.18Å; E18-T42 PolarHBondContact OE2-OG1 3.28Å; E18-I43 CarbonylContact C-O 3.58Å; E18-I43 WeakPolarHBondContact CA-O 3.24Å; E18-Y54 WeakPolarHBondContact OE2-CE2 3.44Å |
| 19 | R | 77.8 | Confident | 73 | Confident | 84 Ų | 84 | 51 Ų | 51 | 32% | 0.317 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 135.5 | 171.8 | -109.6 | -170 | 176.6 | -165.3 | 1.2 | 109.7 | Y14 G21 T42 I43 L45 D153 | Y14-R19 HydrophobicContact CE2-CG 4.28Å; R19-G21 PolarHBondContact O-N 3.21Å; R19-T42 CarbonylContact O-C 3.6Å; R19-T42 WeakPolarHBondContact O-CA 3.17Å; R19-T42 WeakPolarHBondContact O-CB 3.49Å; R19-I43 PolarHBondContact N-O 2.92Å; R19-I43 PolarHBondContact O-N 3.3Å; R19-L45 HydrophobicContact CB-CD2 4.38Å; R19-L45 HydrophobicContact CG-CD2 4.2Å; R19-D153 IonicContact CZ-OD1 2.64Å; R19-D153 IonicContact NH1-OD1 3.3Å; R19-D153 PolarHBondContact NH1-OD1 2.57Å; R19-D153 IonicContact NH2-OD1 3.03Å |
| 20 | V | 79.4 | Confident | 72.4 | Confident | 34 Ų | 34 | 58.9 Ų | 58.9 | 21% | 0.206 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 126.7 | 172.4 | 176.1 | 0 | 0 | 0 | 0 | 108.8 | F13 V40 T42 | F13-V20 HydrophobicContact CB-CG2 4.18Å; F13-V20 HydrophobicContact CD2-CG2 3.51Å; F13-V20 HydrophobicContact CE2-CG2 4.27Å; F13-V20 HydrophobicContact CG-CG2 4.19Å; V20-V40 HydrophobicContact CB-CG1 4.47Å; V20-V40 HydrophobicContact CG1-CG1 3.55Å; V20-V40 HydrophobicContact CG2-CG1 4.29Å; V20-T42 HydrophobicContact CG2-CG2 4.25Å |
| 21 | G | 75.5 | Confident | 71.3 | Confident | 8 Ų | 8 | 65 Ų | 65 | 8% | 0.082 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -69.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R19 F41 | R19-G21 PolarHBondContact O-N 3.21Å; G21-F41 PolarHBondContact N-O 3.36Å |
| 22 | L | 81.5 | Confident | 70.5 | Confident | 28 Ų | 28 | 61.6 Ų | 61.6 | 15% | 0.147 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 151.3 | 174.1 | -158.9 | 83.3 | 0 | 0 | 0 | 110.6 | I24 V40 F41 F113 | L22-I24 HydrophobicContact CD2-CG2 4.36Å; L22-V40 WeakPolarHBondContact O-CA 3.44Å; L22-F41 HydrophobicContact CB-CD1 4.19Å; L22-F41 HydrophobicContact CB-CE1 3.5Å; L22-F41 HydrophobicContact CB-CZ 4.15Å; L22-F41 PolarHBondContact O-N 3.25Å; L22-F113 HydrophobicContact CB-CD2 4.33Å; L22-F113 HydrophobicContact CD2-CB 3.83Å; L22-F113 HydrophobicContact CD2-CD2 4.12Å; L22-F113 HydrophobicContact CD2-CG 4.44Å |
| 23 | S | 81.6 | Confident | 69.4 | Low | 40 Ų | 40 | 67.8 Ų | 67.8 | 28% | 0.28 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 139.4 | 173.2 | 69.5 | 0 | 0 | 0 | 0 | 111.7 | L39 | S23-L39 CarbonylContact C-O 3.58Å; S23-L39 WeakPolarHBondContact CA-O 3.34Å |
| 24 | I | 85.5 | Confident | 68.5 | Low | 5 Ų | 5 | 75.4 Ų | 75.4 | 3% | 0.026 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 151.4 | 173.4 | 58.8 | 166.8 | 0 | 0 | 0 | 112 | L22 V26 H38 L39 E109 F113 | L22-I24 HydrophobicContact CD2-CG2 4.36Å; I24-V26 HydrophobicContact CD1-CG1 3.96Å; I24-V26 HydrophobicContact CG1-CG1 4.06Å; I24-H38 CarbonylContact O-C 3.11Å; I24-H38 WeakPolarHBondContact O-CA 3.42Å; I24-L39 HydrophobicContact CD1-CD2 4.48Å; I24-L39 HydrophobicContact CG1-CB 4.01Å; I24-L39 PolarHBondContact N-O 3.01Å; I24-L39 PolarHBondContact O-N 2.74Å; I24-E109 HydrophobicContact CB-CB 4.46Å; I24-E109 HydrophobicContact CG2-CB 3.92Å; I24-E109 WeakPolarHBondContact CG2-O 3.49Å; I24-F113 HydrophobicContact CB-CD2 4.4Å; I24-F113 HydrophobicContact CD1-CB 3.87Å; I24-F113 HydrophobicContact CD1-CD1 4.06Å; I24-F113 HydrophobicContact CD1-CD2 4.13Å; I24-F113 HydrophobicContact CD1-CG 3.76Å; I24-F113 HydrophobicContact CG1-CB 4.25Å; I24-F113 HydrophobicContact CG1-CD2 3.79Å; I24-F113 HydrophobicContact CG1-CE2 4.26Å; I24-F113 HydrophobicContact CG1-CG 3.96Å; I24-F113 HydrophobicContact CG2-CB 3.6Å; I24-F113 HydrophobicContact CG2-CD2 3.91Å; I24-F113 HydrophobicContact CG2-CG 4.07Å |
| 25 | G | 82.8 | Confident | 68.3 | Low | 5 Ų | 5 | 74.1 Ų | 74.1 | 5% | 0.052 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 130.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K37 L105 | G25-K37 CarbonylContact C-O 3.6Å; G25-K37 WeakPolarHBondContact CA-O 3.32Å; G25-L105 WeakPolarHBondContact O-CG 3.48Å; G25-L105 PolarHBondContact O-N 2.62Å |
| 26 | V | 85.8 | Confident | 68.5 | Low | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.006 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 160.1 | -179.3 | -59.7 | 0 | 0 | 0 | 0 | 113.1 | I24 K37 L39 L55 F102 N103 | I24-V26 HydrophobicContact CD1-CG1 3.96Å; I24-V26 HydrophobicContact CG1-CG1 4.06Å; V26-K37 HydrophobicContact CG2-CB 4.34Å; V26-K37 PolarHBondContact N-O 2.98Å; V26-K37 PolarHBondContact O-N 3.48Å; V26-K37 VanDerWaalsContact O-O 3.12Å; V26-L39 HydrophobicContact CG1-CB 3.91Å; V26-L39 HydrophobicContact CG2-CB 3.95Å; V26-L55 HydrophobicContact CG2-CD1 3.65Å; V26-F102 HydrophobicContact CB-CB 4.24Å; V26-F102 HydrophobicContact CG1-CB 4.26Å; V26-F102 HydrophobicContact CG2-CD1 4.15Å; V26-N103 CarbonylContact C-O 3.04Å; V26-N103 VanDerWaalsContact CA-O 3.23Å; V26-N103 WeakPolarHBondContact CA-O 3.27Å |
| 27 | I | 80.6 | Confident | 69.3 | Low | 66 Ų | 66 | 76.2 Ų | 76.2 | 34% | 0.338 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 126.4 | 168.9 | -55.6 | 173.3 | 0 | 0 | 0 | 107.5 | N103 L105 | I27-N103 PolarHBondContact N-O 3.11Å; I27-N103 PolarHBondContact O-N 3.33Å; I27-L105 HydrophobicContact CD1-CD2 4.1Å; I27-L105 HydrophobicContact CG1-CD2 4.18Å |
| 28 | S | 69.8 | Low | 69.8 | Low | 45 Ų | 45 | 74 Ų | 74 | 32% | 0.315 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122.5 | -179.4 | 78.9 | 0 | 0 | 0 | 0 | 111.8 | K37 | S28-K37 PolarHBondContact OG-NZ 2.97Å |
| 29 | G | 58.9 | Low | 70.2 | Confident | 40 Ų | 40 | 73.2 Ų | 73.2 | 41% | 0.412 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 101.2 | 158.2 | 170 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q31 | G29-Q31 VanDerWaalsContact C-N 3.3Å; G29-Q31 PolarHBondContact O-N 2.9Å |
| 30 | H | 50.2 | Low | 70.7 | Confident | 167 Ų | 167 | 69.2 Ų | 69.2 | 77% | 0.773 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -76.4 | -0.7 | -172.9 | -77.1 | -21.9 | 0 | 0 | 0 | 116 | ||
| 31 | Q | 39 | Very low | 71.2 | Confident | 174 Ų | 174 | 67.7 Ų | 67.7 | 81% | 0.813 | 34% | 0.342 | S | S | * | . | trans | -99.7 | 114.5 | -178.1 | -62.5 | -144.1 | 8.1 | 0 | 0 | 111.3 | G29 K33 | G29-Q31 VanDerWaalsContact C-N 3.3Å; G29-Q31 PolarHBondContact O-N 2.9Å; Q31-K33 PolarHBondContact O-N 3.05Å | ||
| 32 | S | 47 | Very low | 71.7 | Confident | 126 Ų | 126 | 67.3 Ų | 67.3 | 88% | 0.881 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -48.4 | -15.4 | -171.7 | 161.5 | 0 | 0 | 0 | 0 | 117.1 | ||
| 33 | K | 42.6 | Very low | 71.8 | Confident | 173 Ų | 173 | 66.5 Ų | 66.5 | 75% | 0.752 | 33% | 0.334 | S | S | * | . | trans | -112.4 | 102.4 | 177.8 | -66.4 | -178.1 | 179.7 | 178.6 | 0 | 108.3 | Q31 | Q31-K33 PolarHBondContact O-N 3.05Š| ||
| 34 | H | 49.8 | Very low | 71.7 | Confident | 160 Ų | 160 | 65.2 Ų | 65.2 | 74% | 0.741 | 33% | 0.325 | S | S | * | . | trans | 177.1 | 128.3 | 141.4 | -85.4 | -29 | 0 | 0 | 0 | 115.4 | ||||
| 35 | K | 59.7 | Low | 71.1 | Confident | 106 Ų | 106 | 69.4 Ų | 69.4 | 46% | 0.461 | 35% | 0.347 | S | S | . | . | trans | 17.3 | 117.9 | 153.8 | -57.4 | -164.5 | 175.5 | -156.5 | 0 | 118.4 | D60 | K35-D60 IonicContact NZ-OD2 3.74Å; K35-D60 PolarHBondContact NZ-OD2 2.67Å | ||
| 36 | R | 70.8 | Confident | 70.6 | Confident | 189 Ų | 189 | 72.9 Ų | 72.9 | 71% | 0.713 | 37% | 0.367 | S | S | * | . | trans | -48.9 | 133.6 | 171.7 | -64.5 | 178 | -179.7 | 172.5 | -0.7 | 111.3 | L105 | R36-L105 HydrophobicContact CG-CD1 4.28Š| ||
| 37 | K | 84.4 | Confident | 69.6 | Low | 47 Ų | 47 | 82 Ų | 82 | 20% | 0.204 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 165.7 | 173.5 | -60.2 | -179.1 | -175.1 | 172.7 | 0 | 108.6 | G25 V26 S28 L55 V56 K57 | G25-K37 CarbonylContact C-O 3.6Å; G25-K37 WeakPolarHBondContact CA-O 3.32Å; V26-K37 HydrophobicContact CG2-CB 4.34Å; V26-K37 PolarHBondContact N-O 2.98Å; V26-K37 PolarHBondContact O-N 3.48Å; V26-K37 VanDerWaalsContact O-O 3.12Å; S28-K37 PolarHBondContact OG-NZ 2.97Å; K37-L55 HydrophobicContact CB-CD1 3.82Å; K37-L55 HydrophobicContact CB-CG 4.26Å; K37-L55 HydrophobicContact CD-CD1 4.05Å; K37-L55 HydrophobicContact CD-CD2 3.59Å; K37-L55 HydrophobicContact CD-CG 3.8Å; K37-V56 CarbonylContact C-O 3.58Å; K37-V56 WeakPolarHBondContact CA-O 3.46Å; K37-K57 HydrophobicContact CG-CB 4.18Å; K37-K57 HydrophobicContact CG-CG 4.31Å |
| 38 | H | 85.2 | Confident | 69.3 | Low | 40 Ų | 40 | 84.2 Ų | 84.2 | 19% | 0.185 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.3 | 173.8 | -70.6 | -95.5 | 0 | 0 | 0 | 109.6 | I24 V40 V56 | I24-H38 CarbonylContact O-C 3.11Å; I24-H38 WeakPolarHBondContact O-CA 3.42Å; H38-V40 HydrophobicContact CB-CG2 4.09Å; H38-V56 PolarHBondContact N-O 2.83Å; H38-V56 PolarHBondContact O-N 2.98Å |
| 39 | L | 87.3 | Confident | 69.6 | Low | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 123.4 | 167.7 | -171.4 | 69.4 | 0 | 0 | 0 | 107.3 | S23 I24 V26 V53 L55 V69 L91 I93 F102 F113 | S23-L39 CarbonylContact C-O 3.58Å; S23-L39 WeakPolarHBondContact CA-O 3.34Å; I24-L39 HydrophobicContact CD1-CD2 4.48Å; I24-L39 HydrophobicContact CG1-CB 4.01Å; I24-L39 PolarHBondContact N-O 3.01Å; I24-L39 PolarHBondContact O-N 2.74Å; V26-L39 HydrophobicContact CG1-CB 3.91Å; V26-L39 HydrophobicContact CG2-CB 3.95Å; L39-V53 HydrophobicContact CD1-CG1 3.67Å; L39-V53 HydrophobicContact CG-CG1 4.18Å; L39-L55 HydrophobicContact CD1-CD1 4.39Å; L39-V69 HydrophobicContact CD1-CG2 4.2Å; L39-L91 HydrophobicContact CD2-CD2 4.05Å; L39-I93 HydrophobicContact CD2-CD1 4.3Å; L39-F102 HydrophobicContact CD1-CE1 4.29Å; L39-F102 HydrophobicContact CD1-CE2 4.18Å; L39-F102 HydrophobicContact CD1-CZ 3.98Å; L39-F102 HydrophobicContact CD2-CD2 4.25Å; L39-F102 HydrophobicContact CD2-CE2 4.46Å; L39-F113 HydrophobicContact CD2-CE1 3.85Å; L39-F113 HydrophobicContact CD2-CZ 3.85Å; L39-F113 HydrophobicContact CG-CE1 4.42Å; L39-F113 HydrophobicContact CG-CE2 4.45Å; L39-F113 HydrophobicContact CG-CZ 3.9Å |
| 40 | V | 88 | Confident | 70.7 | Confident | 0 Ų | 0 | 83.6 Ų | 83.6 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 132.4 | -172 | -170.2 | 0 | 0 | 0 | 0 | 108.4 | L9 F13 V20 L22 H38 T42 Y54 V56 | L9-V40 HydrophobicContact CD1-CG2 4.04Å; L9-V40 HydrophobicContact CD2-CG2 4.16Å; F13-V40 HydrophobicContact CE2-CG1 4.34Å; V20-V40 HydrophobicContact CB-CG1 4.47Å; V20-V40 HydrophobicContact CG1-CG1 3.55Å; V20-V40 HydrophobicContact CG2-CG1 4.29Å; L22-V40 WeakPolarHBondContact O-CA 3.44Å; H38-V40 HydrophobicContact CB-CG2 4.09Å; V40-T42 HydrophobicContact CG1-CG2 4.36Å; V40-Y54 PolarHBondContact N-O 2.89Å; V40-Y54 PolarHBondContact O-N 3.25Å; V40-V56 HydrophobicContact CG2-CG2 4.11Å |
| 41 | F | 88.4 | Confident | 72.4 | Confident | 1 Ų | 1 | 75.6 Ų | 75.6 | 0% | 0.004 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 143.1 | 165.7 | 78 | -96.2 | 0 | 0 | 0 | 110.8 | G21 L22 I43 I51 Q52 V53 F113 F117 T120 | G21-F41 PolarHBondContact N-O 3.36Å; L22-F41 HydrophobicContact CB-CD1 4.19Å; L22-F41 HydrophobicContact CB-CE1 3.5Å; L22-F41 HydrophobicContact CB-CZ 4.15Å; L22-F41 PolarHBondContact O-N 3.25Å; F41-I43 HydrophobicContact CE2-CD1 4.45Å; F41-I43 HydrophobicContact CE2-CG1 4.41Å; F41-I51 HydrophobicContact CD2-CG2 4.38Å; F41-Q52 CarbonylContact C-O 3.6Å; F41-Q52 WeakPolarHBondContact CA-O 3.44Å; F41-V53 HydrophobicContact CB-CG2 4.27Å; F41-F113 HydrophobicContact CB-CZ 4.46Å; F41-F113 HydrophobicContact CD1-CD2 4.18Å; F41-F113 AromaticContact CD1-CE2 3.66Å; F41-F113 HydrophobicContact CD1-CE2 3.66Å; F41-F113 AromaticContact CD1-CZ 3.98Å; F41-F113 HydrophobicContact CD1-CZ 3.98Å; F41-F113 HydrophobicContact CE1-CE2 4.42Å; F41-F117 HydrophobicContact CB-CD2 3.73Å; F41-F117 HydrophobicContact CB-CE2 3.9Å; F41-F117 HydrophobicContact CD1-CB 4.02Å; F41-F117 AromaticContact CD1-CD2 3.77Å; F41-F117 HydrophobicContact CD1-CD2 3.77Å; F41-F117 HydrophobicContact CD1-CG 4.33Å; F41-F117 AromaticContact CD2-CD2 3.95Å; F41-F117 HydrophobicContact CD2-CD2 3.95Å; F41-F117 HydrophobicContact CE1-CB 3.93Å; F41-F117 HydrophobicContact CE1-CD2 4.32Å; F41-F117 HydrophobicContact CE2-CD2 4.48Å; F41-F117 AromaticContact CG-CD2 3.56Å; F41-F117 HydrophobicContact CG-CD2 3.56Å; F41-F117 HydrophobicContact CG-CE2 4.21Å; F41-F117 HydrophobicContact CZ-CB 4.48Å; F41-T120 HydrophobicContact CE2-CG2 4.13Å |
| 42 | T | 86.4 | Confident | 74.7 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 152.9 | -179.5 | 62 | 0 | 0 | 0 | 0 | 110.7 | F13 E18 R19 V20 V40 I51 Q52 Y54 | F13-T42 HydrophobicContact CB-CG2 4.3Å; F13-T42 HydrophobicContact CD1-CG2 3.7Å; F13-T42 HydrophobicContact CD2-CG2 3.92Å; F13-T42 HydrophobicContact CE1-CG2 3.89Å; F13-T42 HydrophobicContact CE2-CG2 4.1Å; F13-T42 HydrophobicContact CG-CG2 3.72Å; F13-T42 HydrophobicContact CZ-CG2 4.08Å; E18-T42 PolarHBondContact OE2-OG1 3.28Å; R19-T42 CarbonylContact O-C 3.6Å; R19-T42 WeakPolarHBondContact O-CA 3.17Å; R19-T42 WeakPolarHBondContact O-CB 3.49Å; V20-T42 HydrophobicContact CG2-CG2 4.25Å; V40-T42 HydrophobicContact CG1-CG2 4.36Å; T42-I51 VanDerWaalsContact O-CA 3.32Å; T42-I51 WeakPolarHBondContact O-CA 3.45Å; T42-Q52 PolarHBondContact N-O 3.24Å; T42-Q52 PolarHBondContact O-N 3.39Å; T42-Y54 HydrophobicContact CG2-CD2 4.25Å; T42-Y54 WeakPolarHBondContact OG1-CE2 3.47Å |
| 43 | I | 83.4 | Confident | 76.7 | Confident | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.5 | -179.9 | -52.1 | 168.9 | 0 | 0 | 0 | 107.4 | E18 R19 F41 T49 I51 T120 L124 | E18-I43 CarbonylContact C-O 3.58Å; E18-I43 WeakPolarHBondContact CA-O 3.24Å; R19-I43 PolarHBondContact N-O 2.92Å; R19-I43 PolarHBondContact O-N 3.3Å; F41-I43 HydrophobicContact CE2-CD1 4.45Å; F41-I43 HydrophobicContact CE2-CG1 4.41Å; I43-T49 HydrophobicContact CG2-CG2 3.81Å; I43-I51 HydrophobicContact CG1-CG1 4.47Å; I43-T120 HydrophobicContact CD1-CG2 3.51Å; I43-T120 HydrophobicContact CG1-CG2 4.03Å; I43-L124 HydrophobicContact CD1-CD1 4.08Å; I43-L124 HydrophobicContact CG1-CD1 4.45Å; I43-L124 HydrophobicContact CG2-CD1 3.66Å |
| 44 | S | 80.3 | Confident | 78.8 | Confident | 12 Ų | 12 | 54.8 Ų | 54.8 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 133.6 | 175.9 | 69 | 0 | 0 | 0 | 0 | 111.5 | T46 S50 | S44-T46 VanDerWaalsContact C-N 3.3Å; S44-T46 PolarHBondContact OG-O 3.44Å; S44-S50 PolarHBondContact N-O 3.37Å; S44-S50 PolarHBondContact OG-N 2.88Å; S44-S50 PolarHBondContact OG-O 3.32Å; S44-S50 PolarHBondContact OG-OG 3.5Å |
| 45 | L | 72 | Confident | 80.6 | Confident | 94 Ų | 94 | 47.5 Ų | 47.5 | 49% | 0.492 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -76.7 | -20.1 | 176.1 | -66.7 | 167.4 | 0 | 0 | 0 | 112.1 | N17 R19 | N17-L45 HydrophobicContact CB-CB 4.48Å; N17-L45 WeakPolarHBondContact O-CB 3.44Å; N17-L45 PolarHBondContact O-N 3.45Å; R19-L45 HydrophobicContact CB-CD2 4.38Å; R19-L45 HydrophobicContact CG-CD2 4.2Å |
| 46 | T | 72 | Confident | 81.7 | Confident | 77 Ų | 77 | 42.5 Ų | 42.5 | 47% | 0.472 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -92.9 | 138.9 | 178.3 | 52.7 | 0 | 0 | 0 | 0 | 111.3 | N17 S44 P48 | N17-T46 HydrophobicContact CB-CG2 4.18Å; S44-T46 VanDerWaalsContact C-N 3.3Å; S44-T46 PolarHBondContact OG-O 3.44Å; T46-P48 CarbonylContact O-C 3.3Å |
| 47 | K | 66 | Low | 82.2 | Confident | 194 Ų | 194 | 36.5 Ų | 36.5 | 84% | 0.843 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -76.4 | 140 | 171.4 | -68.7 | -175.2 | 179.1 | -178.7 | 0 | 110.3 | ||
| 48 | P | 74.3 | Confident | 81.6 | Confident | 112 Ų | 112 | 35.5 Ų | 35.5 | 73% | 0.727 | 19% | 0.187 | S | C | * | . | S | Bend | cis | -72.5 | 137 | -0.1 | 29.6 | -34.2 | 0 | 0 | 0 | 112.6 | T46 S50 | T46-P48 CarbonylContact O-C 3.3Å; P48-S50 PolarHBondContact O-N 3.06Å |
| 49 | T | 76.5 | Confident | 81 | Confident | 42 Ų | 42 | 35.1 Ų | 35.1 | 26% | 0.258 | 19% | 0.188 | S | C | . | . | P | Polyproline II helix | trans | -61.4 | 128.4 | 179.8 | -47.5 | 0 | 0 | 0 | 0 | 110.1 | I43 L124 | I43-T49 HydrophobicContact CG2-CG2 3.81Å; T49-L124 HydrophobicContact CG2-CB 4.45Å; T49-L124 HydrophobicContact CG2-CD1 4.12Å |
| 50 | S | 81.5 | Confident | 80.1 | Confident | 29 Ų | 29 | 41.9 Ų | 41.9 | 20% | 0.203 | 22% | 0.224 | C | C | . | . | trans | -129.7 | 141.5 | 178.3 | 69.3 | 0 | 0 | 0 | 0 | 109.8 | S44 P48 | S44-S50 PolarHBondContact N-O 3.37Å; S44-S50 PolarHBondContact OG-N 2.88Å; S44-S50 PolarHBondContact OG-O 3.32Å; S44-S50 PolarHBondContact OG-OG 3.5Å; P48-S50 PolarHBondContact O-N 3.06Å | ||
| 51 | I | 85.6 | Confident | 79.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125 | 178.1 | -63.3 | 172.8 | 0 | 0 | 0 | 107.7 | F41 T42 I43 A72 F117 T120 L121 L124 L125 | F41-I51 HydrophobicContact CD2-CG2 4.38Å; T42-I51 VanDerWaalsContact O-CA 3.32Å; T42-I51 WeakPolarHBondContact O-CA 3.45Å; I43-I51 HydrophobicContact CG1-CG1 4.47Å; I51-A72 HydrophobicContact CB-CB 3.91Å; I51-A72 HydrophobicContact CG2-CB 4.29Å; I51-A72 WeakPolarHBondContact O-CB 3.46Å; I51-A72 PolarHBondContact O-N 3.1Å; I51-F117 HydrophobicContact CG2-CD2 4.34Å; I51-F117 HydrophobicContact CG2-CE2 3.65Å; I51-T120 HydrophobicContact CD1-CG2 3.83Å; I51-L121 HydrophobicContact CB-CD2 4.41Å; I51-L121 HydrophobicContact CD1-CD2 3.69Å; I51-L121 HydrophobicContact CD1-CG 4.14Å; I51-L124 HydrophobicContact CD1-CB 4.37Å; I51-L124 HydrophobicContact CD1-CD1 4.38Å; I51-L125 HydrophobicContact CB-CD1 4.37Å; I51-L125 HydrophobicContact CD1-CD1 4.03Å; I51-L125 HydrophobicContact CG1-CD1 4.11Å |
| 52 | Q | 87.2 | Confident | 78 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 7% | 0.065 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 147.9 | -179.8 | -59.7 | -63.8 | -20.4 | 0 | 0 | 110.1 | F41 T42 Y54 C70 N71 | F41-Q52 CarbonylContact C-O 3.6Å; F41-Q52 WeakPolarHBondContact CA-O 3.44Å; T42-Q52 PolarHBondContact N-O 3.24Å; T42-Q52 PolarHBondContact O-N 3.39Å; Q52-Y54 HydrophobicContact CB-CD2 4.04Å; Q52-Y54 HydrophobicContact CB-CE2 3.32Å; Q52-Y54 HydrophobicContact CG-CE2 4.09Å; Q52-C70 PolarHBondContact OE1-O 2.94Å; Q52-N71 PolarHBondContact NE2-ND2 2.85Å |
| 53 | V | 89.3 | Confident | 77 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.5 | 172.3 | -175.2 | 0 | 0 | 0 | 0 | 108.9 | L39 F41 V69 C70 I93 F117 | L39-V53 HydrophobicContact CD1-CG1 3.67Å; L39-V53 HydrophobicContact CG-CG1 4.18Å; F41-V53 HydrophobicContact CB-CG2 4.27Å; V53-V69 HydrophobicContact CB-CB 4.33Å; V53-V69 HydrophobicContact CG1-CB 4.17Å; V53-V69 HydrophobicContact CG1-CG2 4.43Å; V53-V69 WeakPolarHBondContact O-CB 3.35Å; V53-V69 PolarHBondContact O-N 2.92Å; V53-C70 PolarHBondContact N-O 3.35Å; V53-C70 PolarHBondContact O-N 3.15Å; V53-I93 HydrophobicContact CG1-CD1 4.34Å; V53-F117 HydrophobicContact CG2-CE2 3.71Å; V53-F117 HydrophobicContact CG2-CZ 3.72Å |
| 54 | Y | 87.4 | Confident | 76.3 | Confident | 21 Ų | 21 | 62 Ų | 62 | 8% | 0.082 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 143.4 | -179 | -66.7 | -78.5 | 0 | 0 | 0 | 111.4 | F13 E18 V40 T42 Q52 K66 V67 Q68 | F13-Y54 HydrophobicContact CD1-CD2 4.46Å; F13-Y54 HydrophobicContact CD1-CE2 4.42Å; F13-Y54 AromaticContact CE1-CD2 3.47Å; F13-Y54 HydrophobicContact CE1-CD2 3.47Å; F13-Y54 VanDerWaalsContact CE1-CD2 3.47Å; F13-Y54 AromaticContact CE1-CE2 3.73Å; F13-Y54 HydrophobicContact CE1-CE2 3.73Å; F13-Y54 AromaticContact CE1-CG 3.93Å; F13-Y54 HydrophobicContact CE1-CG 3.93Å; F13-Y54 AromaticContact CZ-CD2 3.83Å; F13-Y54 HydrophobicContact CZ-CD2 3.83Å; F13-Y54 HydrophobicContact CZ-CG 4.03Å; E18-Y54 WeakPolarHBondContact OE2-CE2 3.44Å; V40-Y54 PolarHBondContact N-O 2.89Å; V40-Y54 PolarHBondContact O-N 3.25Å; T42-Y54 HydrophobicContact CG2-CD2 4.25Å; T42-Y54 WeakPolarHBondContact OG1-CE2 3.47Å; Q52-Y54 HydrophobicContact CB-CD2 4.04Å; Q52-Y54 HydrophobicContact CB-CE2 3.32Å; Q52-Y54 HydrophobicContact CG-CE2 4.09Å; Y54-K66 HydrophobicContact CD1-CD 4.5Å; Y54-V67 WeakPolarHBondContact CA-O 3.42Å; Y54-Q68 HydrophobicContact CD1-CB 3.95Å; Y54-Q68 HydrophobicContact CD1-CG 4.23Å; Y54-Q68 HydrophobicContact CE1-CB 3.67Å; Y54-Q68 HydrophobicContact CE1-CG 3.73Å |
| 55 | L | 86.9 | Confident | 76.1 | Confident | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.037 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 111.2 | 167 | -172.7 | 69.4 | 0 | 0 | 0 | 108.5 | V26 K37 L39 V67 V69 F102 | V26-L55 HydrophobicContact CG2-CD1 3.65Å; K37-L55 HydrophobicContact CB-CD1 3.82Å; K37-L55 HydrophobicContact CB-CG 4.26Å; K37-L55 HydrophobicContact CD-CD1 4.05Å; K37-L55 HydrophobicContact CD-CD2 3.59Å; K37-L55 HydrophobicContact CD-CG 3.8Å; L39-L55 HydrophobicContact CD1-CD1 4.39Å; L55-V67 PolarHBondContact N-O 3.04Å; L55-V67 PolarHBondContact O-N 2.93Å; L55-V69 HydrophobicContact CB-CG2 3.81Å; L55-F102 HydrophobicContact CD1-CD1 4.31Å; L55-F102 HydrophobicContact CD1-CE1 3.9Å; L55-F102 HydrophobicContact CD2-CE1 4.12Å |
| 56 | V | 83.6 | Confident | 76.5 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 126.2 | -174.7 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | L9 F13 K37 H38 V40 I58 I64 K66 | L9-V56 HydrophobicContact CD2-CB 4.05Å; L9-V56 HydrophobicContact CD2-CG1 3.73Å; L9-V56 HydrophobicContact CD2-CG2 4.1Å; F13-V56 HydrophobicContact CE2-CG2 4.34Å; F13-V56 HydrophobicContact CZ-CG2 4.08Å; K37-V56 CarbonylContact C-O 3.58Å; K37-V56 WeakPolarHBondContact CA-O 3.46Å; H38-V56 PolarHBondContact N-O 2.83Å; H38-V56 PolarHBondContact O-N 2.98Å; V40-V56 HydrophobicContact CG2-CG2 4.11Å; V56-I58 HydrophobicContact CG1-CG1 4.35Å; V56-I64 HydrophobicContact CG1-CG2 3.3Å; V56-K66 HydrophobicContact CG2-CB 4.17Å |
| 57 | K | 81.3 | Confident | 77.1 | Confident | 64 Ų | 64 | 67.2 Ų | 67.2 | 28% | 0.278 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118.3 | 173.3 | -175.9 | 178.3 | 177.9 | 179.7 | 0 | 109.1 | K37 K65 | K37-K57 HydrophobicContact CG-CB 4.18Å; K37-K57 HydrophobicContact CG-CG 4.31Å; K57-K65 PolarHBondContact N-O 3.06Å; K57-K65 PolarHBondContact O-N 3.16Å |
| 58 | I | 72 | Confident | 78 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 115.7 | 174.5 | -55.2 | 176.2 | 0 | 0 | 0 | 106 | H5 V56 I64 | H5-I58 HydrophobicContact CB-CD1 4.43Å; V56-I58 HydrophobicContact CG1-CG1 4.35Å; I58-I64 HydrophobicContact CG1-CG1 4.34Å |
| 59 | T | 71.6 | Confident | 78.5 | Confident | 32 Ų | 32 | 58 Ų | 58 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | trans | -80.8 | 163.3 | -178.6 | 62.8 | 0 | 0 | 0 | 0 | 110.9 | K61 N62 E63 | T59-K61 PolarHBondContact O-N 3.1Å; T59-N62 PolarHBondContact O-N 2.98Å; T59-E63 WeakPolarHBondContact CB-O 3.47Å; T59-E63 WeakPolarHBondContact CG2-O 3.45Å; T59-E63 PolarHBondContact N-O 3.19Å; T59-E63 WeakPolarHBondContact OG1-CA 3.39Å; T59-E63 WeakPolarHBondContact OG1-CB 3.16Å; T59-E63 PolarHBondContact OG1-N 3.46Å; T59-E63 VanDerWaalsContact OG1-N 3.1Å; T59-E63 PolarHBondContact OG1-O 3.38Å | ||
| 60 | D | 67.6 | Low | 79 | Confident | 142 Ų | 142 | 56.4 Ų | 56.4 | 76% | 0.759 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -14.9 | 178.2 | -48.5 | -53.1 | 0 | 0 | 0 | 113 | K35 | K35-D60 IonicContact NZ-OD2 3.74Å; K35-D60 PolarHBondContact NZ-OD2 2.67Å |
| 61 | K | 70.2 | Confident | 79.2 | Confident | 168 Ų | 168 | 56.7 Ų | 56.7 | 73% | 0.73 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 12.1 | 174.8 | -64.7 | -172.9 | 176.4 | -175 | 0 | 113.8 | T59 E63 | T59-K61 PolarHBondContact O-N 3.1Å; K61-E63 HydrophobicContact CB-CG 4.27Å; K61-E63 PolarHBondContact O-N 3.33Å; K61-E63 VanDerWaalsContact O-N 3.15Å |
| 62 | N | 63.1 | Low | 79.1 | Confident | 106 Ų | 106 | 56.7 Ų | 56.7 | 57% | 0.567 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 57.9 | 15.8 | -169.6 | -75.1 | -7.9 | 0 | 0 | 0 | 114.9 | T59 | T59-N62 PolarHBondContact O-N 2.98Š|
| 63 | E | 64.2 | Low | 78.9 | Confident | 109 Ų | 109 | 61.9 Ų | 61.9 | 51% | 0.509 | 30% | 0.299 | S | S | . | . | trans | -79.2 | 126.3 | 170.7 | -58.8 | 173.8 | 178.9 | 0 | 0 | 109.5 | T59 K61 | T59-E63 WeakPolarHBondContact CB-O 3.47Å; T59-E63 WeakPolarHBondContact CG2-O 3.45Å; T59-E63 PolarHBondContact N-O 3.19Å; T59-E63 WeakPolarHBondContact OG1-CA 3.39Å; T59-E63 WeakPolarHBondContact OG1-CB 3.16Å; T59-E63 PolarHBondContact OG1-N 3.46Å; T59-E63 VanDerWaalsContact OG1-N 3.1Å; T59-E63 PolarHBondContact OG1-O 3.38Å; K61-E63 HydrophobicContact CB-CG 4.27Å; K61-E63 PolarHBondContact O-N 3.33Å; K61-E63 VanDerWaalsContact O-N 3.15Å | ||
| 64 | I | 69.6 | Low | 78.6 | Confident | 51 Ų | 51 | 66 Ų | 66 | 26% | 0.262 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 116.3 | -175.7 | -55.2 | 177.7 | 0 | 0 | 0 | 109.6 | Q8 L12 V56 I58 | Q8-I64 HydrophobicContact CB-CD1 4.25Å; L12-I64 HydrophobicContact CD1-CB 4Å; L12-I64 HydrophobicContact CD1-CD1 4.1Å; L12-I64 HydrophobicContact CD1-CG2 3.82Å; L12-I64 HydrophobicContact CD2-CG2 3.75Å; L12-I64 HydrophobicContact CG-CG2 4.4Å; V56-I64 HydrophobicContact CG1-CG2 3.3Å; I58-I64 HydrophobicContact CG1-CG1 4.34Å |
| 65 | K | 76.8 | Confident | 78.5 | Confident | 134 Ų | 134 | 65.4 Ų | 65.4 | 58% | 0.583 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 115.1 | 172.9 | -68.6 | -171.1 | 178.6 | -173.5 | 0 | 109.8 | K57 | K57-K65 PolarHBondContact N-O 3.06Å; K57-K65 PolarHBondContact O-N 3.16Å |
| 66 | K | 80.6 | Confident | 78.4 | Confident | 84 Ų | 84 | 70.2 Ų | 70.2 | 37% | 0.365 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 138.3 | 175 | 67.6 | 177 | -177.4 | 176.1 | 0 | 111.4 | L12 F13 Y54 V56 | L12-K66 HydrophobicContact CD2-CB 4.43Å; L12-K66 HydrophobicContact CD2-CD 4.13Å; F13-K66 HydrophobicContact CE1-CD 4.19Å; Y54-K66 HydrophobicContact CD1-CD 4.5Å; V56-K66 HydrophobicContact CG2-CB 4.17Å |
| 67 | V | 84.4 | Confident | 78.5 | Confident | 75 Ų | 75 | 72.5 Ų | 72.5 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 125.3 | 171.4 | 177.8 | 0 | 0 | 0 | 0 | 107.2 | Y54 L55 V69 W100 | Y54-V67 WeakPolarHBondContact CA-O 3.42Å; L55-V67 PolarHBondContact N-O 3.04Å; L55-V67 PolarHBondContact O-N 2.93Å; V67-V69 PolarHBondContact O-N 3.26Å; V67-W100 HydrophobicContact CG1-CH2 4.24Å |
| 68 | Q | 85.4 | Confident | 78.7 | Confident | 102 Ų | 102 | 69.7 Ų | 69.7 | 48% | 0.477 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 123.4 | 173.6 | -168.2 | 176.9 | -2 | 0 | 0 | 108.9 | Y54 | Y54-Q68 HydrophobicContact CD1-CB 3.95Å; Y54-Q68 HydrophobicContact CD1-CG 4.23Å; Y54-Q68 HydrophobicContact CE1-CB 3.67Å; Y54-Q68 HydrophobicContact CE1-CG 3.73Å |
| 69 | V | 84.6 | Confident | 79.3 | Confident | 10 Ų | 10 | 68.9 Ų | 68.9 | 6% | 0.061 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | -54.6 | 176.6 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | L39 V53 L55 V67 I93 W100 F102 | L39-V69 HydrophobicContact CD1-CG2 4.2Å; V53-V69 HydrophobicContact CB-CB 4.33Å; V53-V69 HydrophobicContact CG1-CB 4.17Å; V53-V69 HydrophobicContact CG1-CG2 4.43Å; V53-V69 WeakPolarHBondContact O-CB 3.35Å; V53-V69 PolarHBondContact O-N 2.92Å; L55-V69 HydrophobicContact CB-CG2 3.81Å; V67-V69 PolarHBondContact O-N 3.26Å; V69-I93 HydrophobicContact CG1-CG2 4.32Å; V69-W100 HydrophobicContact CG1-CB 4.24Å; V69-W100 HydrophobicContact CG1-CD2 3.95Å; V69-W100 HydrophobicContact CG1-CG 3.73Å; V69-W100 PolarHBondContact O-NE1 3.24Å; V69-F102 HydrophobicContact CG1-CE2 4.38Å; V69-F102 HydrophobicContact CG1-CZ 4.08Å; V69-F102 HydrophobicContact CG2-CZ 4.1Å |
| 70 | C | 85.3 | Confident | 79.8 | Confident | 9 Ų | 9 | 67.4 Ų | 67.4 | 6% | 0.061 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 158.2 | 178.7 | 62.9 | 0 | 0 | 0 | 0 | 112.3 | Q52 V53 T95 | Q52-C70 PolarHBondContact OE1-O 2.94Å; V53-C70 PolarHBondContact N-O 3.35Å; V53-C70 PolarHBondContact O-N 3.15Å; C70-T95 HydrophobicContact CB-CG2 3.44Å; C70-T95 VanDerWaalsContact CB-CG2 3.44Å |
| 71 | N | 86.6 | Confident | 80.3 | Confident | 36 Ų | 36 | 66 Ų | 66 | 19% | 0.193 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 139.7 | 155.9 | -174.3 | -42.5 | 0 | 0 | 0 | 107.8 | Q52 K73 N74 | Q52-N71 PolarHBondContact NE2-ND2 2.85Å; N71-K73 PolarHBondContact O-N 3.19Å; N71-K73 VanDerWaalsContact O-N 3.09Å; N71-K73 PolarHBondContact OD1-N 3.46Å; N71-N74 PolarHBondContact O-N 3.46Å |
| 72 | A | 84.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -52.1 | -32 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I51 N74 L75 L121 L125 V128 | I51-A72 HydrophobicContact CB-CB 3.91Å; I51-A72 HydrophobicContact CG2-CB 4.29Å; I51-A72 WeakPolarHBondContact O-CB 3.46Å; I51-A72 PolarHBondContact O-N 3.1Å; A72-N74 PolarHBondContact O-N 3.02Å; A72-L75 VanDerWaalsContact O-CB 3.29Å; A72-L75 WeakPolarHBondContact O-CB 3.2Å; A72-L75 PolarHBondContact O-N 3.03Å; A72-L121 HydrophobicContact CB-CD2 3.65Å; A72-L125 HydrophobicContact CB-CD1 4.47Å; A72-V128 VanDerWaalsContact O-CG1 3.27Å; A72-V128 WeakPolarHBondContact O-CG1 3.39Å |
| 73 | K | 82.3 | Confident | 80.6 | Confident | 122 Ų | 122 | 57.8 Ų | 57.8 | 53% | 0.53 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -65.2 | -22.6 | 176.4 | -66.6 | -173.4 | 176.7 | -172.7 | 0 | 114.7 | N71 V128 | N71-K73 PolarHBondContact O-N 3.19Å; N71-K73 VanDerWaalsContact O-N 3.09Å; N71-K73 PolarHBondContact OD1-N 3.46Å; K73-V128 HydrophobicContact CG-CG2 4.33Å |
| 74 | N | 83.4 | Confident | 80.6 | Confident | 88 Ų | 88 | 62.3 Ų | 62.3 | 47% | 0.471 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -104 | 9.2 | -177.5 | -58.9 | 5.7 | 0 | 0 | 0 | 111.5 | N71 A72 | N71-N74 PolarHBondContact O-N 3.46Å; A72-N74 PolarHBondContact O-N 3.02Å |
| 75 | L | 84.3 | Confident | 80.3 | Confident | 9 Ų | 9 | 66 Ų | 66 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 122.4 | 179.6 | -174.5 | 56.9 | 0 | 0 | 0 | 108.4 | A72 I78 I93 F117 I132 | A72-L75 VanDerWaalsContact O-CB 3.29Å; A72-L75 WeakPolarHBondContact O-CB 3.2Å; A72-L75 PolarHBondContact O-N 3.03Å; L75-I78 HydrophobicContact CD1-CG1 4.3Å; L75-I78 HydrophobicContact CD2-CD1 3.75Å; L75-I78 HydrophobicContact CD2-CG1 3.76Å; L75-I78 HydrophobicContact CG-CG1 4.21Å; L75-I93 HydrophobicContact CD1-CG2 3.38Å; L75-F117 HydrophobicContact CD2-CE1 4.03Å; L75-F117 HydrophobicContact CD2-CZ 4.24Å; L75-I132 HydrophobicContact CB-CD1 4.14Å; L75-I132 HydrophobicContact CB-CG1 4.25Å; L75-I132 HydrophobicContact CD2-CD1 3.87Å; L75-I132 HydrophobicContact CD2-CG1 4.48Å; L75-I132 HydrophobicContact CD2-CG2 4.46Å; L75-I132 HydrophobicContact CG-CD1 4.11Å; L75-I132 HydrophobicContact CG-CG1 4.22Å; L75-I132 HydrophobicContact CG-CG2 4.27Å; L75-I132 WeakPolarHBondContact O-CG1 3.46Å |
| 76 | K | 85.8 | Confident | 80 | Confident | 107 Ų | 107 | 66.2 Ų | 66.2 | 47% | 0.465 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | -39.8 | 179 | -76.4 | -172.2 | 161.4 | 164.8 | 0 | 112.2 | I94 E96 E133 | K76-I94 PolarHBondContact N-O 2.98Å; K76-E96 HydrophobicContact CD-CG 3.97Å; K76-E96 WeakPolarHBondContact CE-OE1 3.45Å; K76-E96 HydrophobicContact CG-CG 4.32Å; K76-E96 IonicContact NZ-OE1 3.48Å; K76-E96 PolarHBondContact NZ-OE1 2.95Å; K76-E133 PolarHBondContact O-N 3.42Å |
| 77 | K | 84.6 | Confident | 79.8 | Confident | 48 Ų | 48 | 66.2 Ų | 66.2 | 21% | 0.209 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 138.2 | -173.2 | 173.7 | 169.9 | -176 | 146.8 | 0 | 112.2 | I94 E133 V135 | K77-I94 HydrophobicContact CB-CB 4.07Å; K77-I94 HydrophobicContact CB-CD1 4.23Å; K77-I94 HydrophobicContact CD-CD1 3.9Å; K77-I94 HydrophobicContact CG-CD1 4.03Å; K77-I94 PolarHBondContact N-O 2.92Å; K77-I94 PolarHBondContact O-N 3.11Å; K77-E133 VanDerWaalsContact CA-O 3.31Å; K77-E133 WeakPolarHBondContact CA-O 3.4Å; K77-E133 HydrophobicContact CB-CB 4.06Å; K77-E133 HydrophobicContact CD-CB 4.38Å; K77-E133 WeakPolarHBondContact CD-OE2 3.5Å; K77-E133 HydrophobicContact CG-CB 4.12Å; K77-E133 WeakPolarHBondContact CG-O 3.44Å; K77-E133 VanDerWaalsContact NZ-CD 3.35Å; K77-E133 IonicContact NZ-OE1 2.92Å; K77-E133 PolarHBondContact NZ-OE1 2.84Å; K77-E133 IonicContact NZ-OE2 3.59Å; K77-E133 PolarHBondContact NZ-OE2 3.33Å; K77-V135 HydrophobicContact CD-CG2 4.28Å; K77-V135 VanDerWaalsContact CE-CG2 3.4Å; K77-V135 HydrophobicContact CG-CG2 4.33Å |
| 78 | I | 85.9 | Confident | 79.6 | Confident | 6 Ų | 6 | 64.2 Ų | 64.2 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 114.2 | 169.4 | -54.2 | 176.4 | 0 | 0 | 0 | 107.4 | L75 L91 F117 I132 E133 L134 V135 F137 | L75-I78 HydrophobicContact CD1-CG1 4.3Å; L75-I78 HydrophobicContact CD2-CD1 3.75Å; L75-I78 HydrophobicContact CD2-CG1 3.76Å; L75-I78 HydrophobicContact CG-CG1 4.21Å; I78-L91 HydrophobicContact CG2-CD1 3.98Å; I78-F117 HydrophobicContact CD1-CD1 4.17Å; I78-F117 HydrophobicContact CD1-CE1 3.82Å; I78-I132 HydrophobicContact CD1-CG2 4.2Å; I78-I132 HydrophobicContact CG1-CG2 3.91Å; I78-E133 PolarHBondContact N-O 3.07Å; I78-L134 HydrophobicContact CB-CD2 4.1Å; I78-L134 HydrophobicContact CD1-CD2 3.96Å; I78-L134 HydrophobicContact CG1-CD2 4.3Å; I78-V135 PolarHBondContact O-N 3.01Å; I78-F137 HydrophobicContact CB-CE2 4.43Å; I78-F137 HydrophobicContact CG2-CE2 4.16Å |
| 79 | D | 85.1 | Confident | 79.5 | Confident | 9 Ų | 9 | 65 Ų | 65 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 111.5 | 175.9 | -179 | 2.4 | 0 | 0 | 0 | 109.3 | R81 Q92 V135 N136 | D79-R81 VanDerWaalsContact C-N 3.27Å; D79-R81 WeakPolarHBondContact OD1-CA 3.41Å; D79-R81 PolarHBondContact OD1-N 2.98Å; D79-R81 IonicContact OD1-NE 3.41Å; D79-R81 WeakPolarHBondContact OD2-CD 3.34Å; D79-R81 IonicContact OD2-CZ 2.75Å; D79-R81 IonicContact OD2-NE 2.69Å; D79-R81 PolarHBondContact OD2-NE 3.37Å; D79-R81 IonicContact OD2-NH2 3.03Å; D79-Q92 HydrophobicContact CB-CB 4.27Å; D79-Q92 PolarHBondContact N-O 3.29Å; D79-Q92 PolarHBondContact O-N 3.24Å; D79-V135 WeakPolarHBondContact CA-O 3.29Å; D79-V135 HydrophobicContact CB-CB 4.29Å; D79-N136 PolarHBondContact OD1-ND2 3.49Å |
| 80 | C | 81.7 | Confident | 79.5 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -82.1 | -6.1 | 179.8 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | D82 K110 I114 V135 N136 F137 | C80-D82 PolarHBondContact O-N 3.49Å; C80-K110 PolarHBondContact O-NZ 2.76Å; C80-I114 HydrophobicContact CB-CD1 4.2Å; C80-I114 WeakPolarHBondContact SG-CD1 3.44Å; C80-V135 PolarHBondContact N-O 2.95Å; C80-N136 VanDerWaalsContact CB-O 3.31Å; C80-N136 WeakPolarHBondContact CB-O 3.45Å; C80-F137 HydrophobicContact CB-CD2 4.4Å; C80-F137 VanDerWaalsContact SG-CD2 3.55Å; C80-F137 WeakPolarHBondContact SG-CE2 3.12Å | ||
| 81 | R | 78.9 | Confident | 79.5 | Confident | 113 Ų | 113 | 66.3 Ų | 66.3 | 43% | 0.426 | 32% | 0.324 | S | S | . | . | trans | 50.4 | 20.8 | 178.9 | -67.4 | -70.8 | 178.5 | 151.6 | 6 | 114.9 | D79 S88 E90 | D79-R81 VanDerWaalsContact C-N 3.27Å; D79-R81 WeakPolarHBondContact OD1-CA 3.41Å; D79-R81 PolarHBondContact OD1-N 2.98Å; D79-R81 IonicContact OD1-NE 3.41Å; D79-R81 WeakPolarHBondContact OD2-CD 3.34Å; D79-R81 IonicContact OD2-CZ 2.75Å; D79-R81 IonicContact OD2-NE 2.69Å; D79-R81 PolarHBondContact OD2-NE 3.37Å; D79-R81 IonicContact OD2-NH2 3.03Å; R81-S88 WeakPolarHBondContact O-CB 3.22Å; R81-E90 HydrophobicContact CB-CB 4.32Å | ||
| 82 | D | 74.6 | Confident | 79.5 | Confident | 18 Ų | 18 | 65.7 Ų | 65.7 | 10% | 0.096 | 32% | 0.32 | C | S | . | . | trans | -80.2 | 126.4 | 173.8 | -62.7 | -29.3 | 0 | 0 | 0 | 108.4 | C80 S88 K110 N136 P138 | C80-D82 PolarHBondContact O-N 3.49Å; D82-S88 PolarHBondContact OD1-N 3.04Å; D82-K110 IonicContact OD1-NZ 3.72Å; D82-K110 PolarHBondContact OD1-NZ 2.91Å; D82-K110 IonicContact OD2-NZ 2.78Å; D82-K110 PolarHBondContact OD2-NZ 3.09Å; D82-N136 WeakPolarHBondContact CB-O 3.39Å; D82-N136 PolarHBondContact N-O 3.44Å; D82-N136 WeakPolarHBondContact O-CB 3.39Å; D82-P138 WeakPolarHBondContact OD2-CD 3.29Å; D82-P138 VanDerWaalsContact OD2-CG 3.22Å; D82-P138 WeakPolarHBondContact OD2-CG 3.47Å | ||
| 83 | T | 65 | Low | 79.7 | Confident | 84 Ų | 84 | 65.9 Ų | 65.9 | 52% | 0.515 | 32% | 0.321 | S | S | . | . | B | Isolated β-bridge | trans | -87.1 | 157.8 | 174.7 | 59.5 | 0 | 0 | 0 | 0 | 109.2 | T85 Q86 | T83-T85 PolarHBondContact O-N 3.25Å; T83-Q86 PolarHBondContact N-O 3.41Å; T83-Q86 PolarHBondContact O-N 3.22Å; T83-Q86 PolarHBondContact OG1-N 2.94Å; T83-Q86 PolarHBondContact OG1-O 2.9Å |
| 84 | K | 64 | Low | 79.7 | Confident | 204 Ų | 204 | 61.9 Ų | 61.9 | 89% | 0.887 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -22.5 | -178 | -67.8 | -171.5 | 179.6 | -175.4 | 0 | 114.3 | ||
| 85 | T | 63.2 | Low | 79.8 | Confident | 129 Ų | 129 | 58.6 Ų | 58.6 | 79% | 0.791 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | -13.4 | -176.5 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | T83 | T83-T85 PolarHBondContact O-N 3.25Š|
| 86 | Q | 70.3 | Confident | 79.4 | Confident | 138 Ų | 138 | 63.9 Ų | 63.9 | 65% | 0.645 | 31% | 0.313 | S | S | * | . | B | Isolated β-bridge | trans | -143.7 | 123.9 | -177 | -68.9 | -170.2 | -16.2 | 0 | 0 | 112.7 | T83 | T83-Q86 PolarHBondContact N-O 3.41Å; T83-Q86 PolarHBondContact O-N 3.22Å; T83-Q86 PolarHBondContact OG1-N 2.94Å; T83-Q86 PolarHBondContact OG1-O 2.9Å |
| 87 | P | 75.7 | Confident | 79.1 | Confident | 84 Ų | 84 | 66 Ų | 66 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | trans | -71.5 | 139.6 | 170.7 | 30.2 | -34.1 | 0 | 0 | 0 | 111.1 | L107 | P87-L107 HydrophobicContact CB-CD1 4.11Å; P87-L107 HydrophobicContact CB-CD2 4.24Å; P87-L107 HydrophobicContact CG-CD1 3.79Å | ||
| 88 | S | 80.9 | Confident | 79.1 | Confident | 32 Ų | 32 | 69 Ų | 69 | 22% | 0.224 | 34% | 0.342 | C | S | . | . | trans | -104.4 | 148.1 | 179.5 | -179.5 | 0 | 0 | 0 | 0 | 111 | R81 D82 E90 L107 K110 | R81-S88 WeakPolarHBondContact O-CB 3.22Å; D82-S88 PolarHBondContact OD1-N 3.04Å; S88-E90 WeakPolarHBondContact OG-CB 3.5Å; S88-E90 PolarHBondContact OG-N 2.94Å; S88-E90 VanDerWaalsContact OG-N 3.08Å; S88-L107 VanDerWaalsContact C-CD2 3.4Å; S88-L107 WeakPolarHBondContact O-CD2 3.22Å; S88-K110 WeakPolarHBondContact O-CD 3.44Å; S88-K110 PolarHBondContact O-NZ 3.28Å | ||
| 89 | Y | 83.9 | Confident | 79 | Confident | 118 Ų | 118 | 73.6 Ų | 73.6 | 46% | 0.463 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -76.9 | -14.8 | 170.1 | -68.6 | -91 | 0 | 0 | 0 | 112.2 | N103 A104 L107 | Y89-N103 CarbonylContact O-C 3.59Å; Y89-N103 WeakPolarHBondContact O-CA 3.4Å; Y89-A104 VanDerWaalsContact CD1-O 3.27Å; Y89-A104 WeakPolarHBondContact CD1-O 3.43Å; Y89-A104 PolarHBondContact O-N 3.49Å; Y89-L107 HydrophobicContact CD1-CD2 3.78Å; Y89-L107 HydrophobicContact CD1-CG 3.98Å; Y89-L107 HydrophobicContact CD2-CD2 3.94Å; Y89-L107 HydrophobicContact CD2-CG 4.4Å; Y89-L107 HydrophobicContact CE1-CD1 4.42Å; Y89-L107 HydrophobicContact CE1-CD2 3.95Å; Y89-L107 HydrophobicContact CE1-CG 3.62Å; Y89-L107 HydrophobicContact CE2-CD1 4.1Å; Y89-L107 HydrophobicContact CE2-CD2 4.06Å; Y89-L107 HydrophobicContact CE2-CG 4.02Å; Y89-L107 HydrophobicContact CG-CD2 3.8Å; Y89-L107 HydrophobicContact CG-CG 4.38Å |
| 90 | E | 84 | Confident | 79.1 | Confident | 44 Ų | 44 | 75.2 Ų | 75.2 | 21% | 0.206 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 139.8 | -175.4 | -164 | 176.5 | 174.3 | 0 | 0 | 111.7 | R81 S88 Q92 V101 F102 N103 K110 | R81-E90 HydrophobicContact CB-CB 4.32Å; S88-E90 WeakPolarHBondContact OG-CB 3.5Å; S88-E90 PolarHBondContact OG-N 2.94Å; S88-E90 VanDerWaalsContact OG-N 3.08Å; E90-Q92 HydrophobicContact CG-CG 4.45Å; E90-Q92 PolarHBondContact OE1-NE2 2.83Å; E90-V101 HydrophobicContact CG-CG1 3.81Å; E90-V101 WeakPolarHBondContact OE1-CG1 3.5Å; E90-F102 CarbonylContact C-O 3.39Å; E90-F102 WeakPolarHBondContact CA-O 3.44Å; E90-N103 WeakPolarHBondContact CA-OD1 3.26Å; E90-N103 WeakPolarHBondContact CB-OD1 3.49Å; E90-K110 VanDerWaalsContact O-CE 3.31Å; E90-K110 WeakPolarHBondContact O-CE 3.42Å; E90-K110 PolarHBondContact O-NZ 3.08Å |
| 91 | L | 85.7 | Confident | 79.3 | Confident | 4 Ų | 4 | 76.9 Ų | 76.9 | 2% | 0.021 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 124.5 | 175.3 | 174.5 | 64.9 | 0 | 0 | 0 | 108.3 | L39 I78 F102 I114 | L39-L91 HydrophobicContact CD2-CD2 4.05Å; I78-L91 HydrophobicContact CG2-CD1 3.98Å; L91-F102 PolarHBondContact N-O 2.98Å; L91-F102 PolarHBondContact O-N 2.97Å; L91-I114 HydrophobicContact CD1-CD1 4.3Å; L91-I114 HydrophobicContact CD1-CG1 4.4Å |
| 92 | Q | 86.5 | Confident | 79.7 | Confident | 22 Ų | 22 | 71.6 Ų | 71.6 | 10% | 0.103 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.2 | 177.8 | -57.3 | -170.1 | -13.6 | 0 | 0 | 111.2 | D79 E90 W100 V101 | D79-Q92 HydrophobicContact CB-CB 4.27Å; D79-Q92 PolarHBondContact N-O 3.29Å; D79-Q92 PolarHBondContact O-N 3.24Å; E90-Q92 HydrophobicContact CG-CG 4.45Å; E90-Q92 PolarHBondContact OE1-NE2 2.83Å; Q92-W100 CarbonylContact C-O 3.07Å; Q92-W100 VanDerWaalsContact CA-O 3.26Å; Q92-W100 WeakPolarHBondContact CA-O 3.46Å; Q92-V101 HydrophobicContact CG-CB 4.41Å; Q92-V101 HydrophobicContact CG-CG1 4.18Å; Q92-V101 HydrophobicContact CG-CG2 3.95Å |
| 93 | I | 87.7 | Confident | 80.2 | Confident | 5 Ų | 5 | 73.5 Ų | 73.5 | 3% | 0.026 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 115.4 | 175.4 | -61.8 | -174.9 | 0 | 0 | 0 | 107.6 | L39 V53 V69 L75 W100 F102 | L39-I93 HydrophobicContact CD2-CD1 4.3Å; V53-I93 HydrophobicContact CG1-CD1 4.34Å; V69-I93 HydrophobicContact CG1-CG2 4.32Å; L75-I93 HydrophobicContact CD1-CG2 3.38Å; I93-W100 HydrophobicContact CB-CB 4.35Å; I93-W100 PolarHBondContact N-O 2.87Å; I93-W100 PolarHBondContact O-N 3.49Å; I93-F102 HydrophobicContact CB-CE2 4.29Å; I93-F102 HydrophobicContact CD1-CD2 4.41Å; I93-F102 HydrophobicContact CD1-CE2 3.93Å; I93-F102 HydrophobicContact CG1-CD2 4.43Å; I93-F102 HydrophobicContact CG1-CE2 4.11Å |
| 94 | I | 83.5 | Confident | 81.2 | Confident | 37 Ų | 37 | 69.9 Ų | 69.9 | 19% | 0.19 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 117 | -175.2 | -57.9 | 174.2 | 0 | 0 | 0 | 109.1 | K76 K77 I99 | K76-I94 PolarHBondContact N-O 2.98Å; K77-I94 HydrophobicContact CB-CB 4.07Å; K77-I94 HydrophobicContact CB-CD1 4.23Å; K77-I94 HydrophobicContact CD-CD1 3.9Å; K77-I94 HydrophobicContact CG-CD1 4.03Å; K77-I94 PolarHBondContact N-O 2.92Å; K77-I94 PolarHBondContact O-N 3.11Å; I94-I99 HydrophobicContact CG1-CG1 4.15Å; I94-I99 HydrophobicContact CG1-CG2 4.12Å; I94-I99 HydrophobicContact CG2-CG1 4.16Å |
| 95 | T | 84 | Confident | 82.1 | Confident | 19 Ų | 19 | 63.3 Ų | 63.3 | 12% | 0.117 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 169 | 172.6 | 63.3 | 0 | 0 | 0 | 0 | 109.6 | C70 N97 K98 | C70-T95 HydrophobicContact CB-CG2 3.44Å; C70-T95 VanDerWaalsContact CB-CG2 3.44Å; T95-N97 PolarHBondContact O-N 3.4Å; T95-N97 VanDerWaalsContact O-N 3.1Å; T95-K98 PolarHBondContact N-O 3.28Å; T95-K98 PolarHBondContact O-N 3.17Å; T95-K98 PolarHBondContact OG1-N 3.32Å; T95-K98 VanDerWaalsContact OG1-N 3.16Å; T95-K98 PolarHBondContact OG1-O 3.47Å |
| 96 | E | 76 | Confident | 82.8 | Confident | 121 Ų | 121 | 62.9 Ų | 62.9 | 57% | 0.565 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -36.6 | 176.7 | -60.4 | -155.7 | 124.7 | 0 | 0 | 114.1 | K76 | K76-E96 HydrophobicContact CD-CG 3.97Å; K76-E96 WeakPolarHBondContact CE-OE1 3.45Å; K76-E96 HydrophobicContact CG-CG 4.32Å; K76-E96 IonicContact NZ-OE1 3.48Å; K76-E96 PolarHBondContact NZ-OE1 2.95Å |
| 97 | N | 80.3 | Confident | 83.2 | Confident | 152 Ų | 152 | 58.7 Ų | 58.7 | 81% | 0.813 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -11.4 | -169.3 | -58.6 | -6.8 | 0 | 0 | 0 | 112.6 | T95 | T95-N97 PolarHBondContact O-N 3.4Å; T95-N97 VanDerWaalsContact O-N 3.1Å |
| 98 | K | 83.8 | Confident | 83.4 | Confident | 109 Ų | 109 | 60.7 Ų | 60.7 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 139.6 | -168.8 | -161.3 | 165.9 | 178.4 | -175.7 | 0 | 114.1 | T95 W100 | T95-K98 PolarHBondContact N-O 3.28Å; T95-K98 PolarHBondContact O-N 3.17Å; T95-K98 PolarHBondContact OG1-N 3.32Å; T95-K98 VanDerWaalsContact OG1-N 3.16Å; T95-K98 PolarHBondContact OG1-O 3.47Å; K98-W100 HydrophobicContact CD-CD2 4.4Å; K98-W100 HydrophobicContact CD-CH2 4.37Å; K98-W100 HydrophobicContact CD-CZ2 3.71Å |
| 99 | I | 84.8 | Confident | 83.4 | Confident | 103 Ų | 103 | 62 Ų | 62 | 53% | 0.528 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 124.2 | 169.3 | -58.2 | 173.3 | 0 | 0 | 0 | 108.4 | I94 V101 | I94-I99 HydrophobicContact CG1-CG1 4.15Å; I94-I99 HydrophobicContact CG1-CG2 4.12Å; I94-I99 HydrophobicContact CG2-CG1 4.16Å; I99-V101 HydrophobicContact CG2-CG2 4.14Å |
| 100 | W | 86.4 | Confident | 83.3 | Confident | 44 Ų | 44 | 56.5 Ų | 56.5 | 17% | 0.167 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122.5 | 176.6 | -64.3 | 90.9 | 0 | 0 | 0 | 110.2 | V67 V69 Q92 I93 K98 F102 | V67-W100 HydrophobicContact CG1-CH2 4.24Å; V69-W100 HydrophobicContact CG1-CB 4.24Å; V69-W100 HydrophobicContact CG1-CD2 3.95Å; V69-W100 HydrophobicContact CG1-CG 3.73Å; V69-W100 PolarHBondContact O-NE1 3.24Å; Q92-W100 CarbonylContact C-O 3.07Å; Q92-W100 VanDerWaalsContact CA-O 3.26Å; Q92-W100 WeakPolarHBondContact CA-O 3.46Å; I93-W100 HydrophobicContact CB-CB 4.35Å; I93-W100 PolarHBondContact N-O 2.87Å; I93-W100 PolarHBondContact O-N 3.49Å; K98-W100 HydrophobicContact CD-CD2 4.4Å; K98-W100 HydrophobicContact CD-CH2 4.37Å; K98-W100 HydrophobicContact CD-CZ2 3.71Å; W100-F102 HydrophobicContact CB-CD2 4.48Å; W100-F102 HydrophobicContact CB-CE2 3.55Å; W100-F102 HydrophobicContact CB-CZ 3.63Å; W100-F102 HydrophobicContact CD2-CZ 4.43Å; W100-F102 HydrophobicContact CE3-CZ 4.18Å; W100-F102 HydrophobicContact CG-CZ 4.27Å |
| 101 | V | 87 | Confident | 83.2 | Confident | 35 Ų | 35 | 58.7 Ų | 58.7 | 21% | 0.212 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.8 | -179.7 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | E90 Q92 I99 | E90-V101 HydrophobicContact CG-CG1 3.81Å; E90-V101 WeakPolarHBondContact OE1-CG1 3.5Å; Q92-V101 HydrophobicContact CG-CB 4.41Å; Q92-V101 HydrophobicContact CG-CG1 4.18Å; Q92-V101 HydrophobicContact CG-CG2 3.95Å; I99-V101 HydrophobicContact CG2-CG2 4.14Å |
| 102 | F | 87.4 | Confident | 83 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 0% | 0.004 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 140.9 | -179 | -53.8 | -73.3 | 0 | 0 | 0 | 110.6 | V26 L39 L55 V69 E90 L91 I93 W100 | V26-F102 HydrophobicContact CB-CB 4.24Å; V26-F102 HydrophobicContact CG1-CB 4.26Å; V26-F102 HydrophobicContact CG2-CD1 4.15Å; L39-F102 HydrophobicContact CD1-CE1 4.29Å; L39-F102 HydrophobicContact CD1-CE2 4.18Å; L39-F102 HydrophobicContact CD1-CZ 3.98Å; L39-F102 HydrophobicContact CD2-CD2 4.25Å; L39-F102 HydrophobicContact CD2-CE2 4.46Å; L55-F102 HydrophobicContact CD1-CD1 4.31Å; L55-F102 HydrophobicContact CD1-CE1 3.9Å; L55-F102 HydrophobicContact CD2-CE1 4.12Å; V69-F102 HydrophobicContact CG1-CE2 4.38Å; V69-F102 HydrophobicContact CG1-CZ 4.08Å; V69-F102 HydrophobicContact CG2-CZ 4.1Å; E90-F102 CarbonylContact C-O 3.39Å; E90-F102 WeakPolarHBondContact CA-O 3.44Å; L91-F102 PolarHBondContact N-O 2.98Å; L91-F102 PolarHBondContact O-N 2.97Å; I93-F102 HydrophobicContact CB-CE2 4.29Å; I93-F102 HydrophobicContact CD1-CD2 4.41Å; I93-F102 HydrophobicContact CD1-CE2 3.93Å; I93-F102 HydrophobicContact CG1-CD2 4.43Å; I93-F102 HydrophobicContact CG1-CE2 4.11Å; W100-F102 HydrophobicContact CB-CD2 4.48Å; W100-F102 HydrophobicContact CB-CE2 3.55Å; W100-F102 HydrophobicContact CB-CZ 3.63Å; W100-F102 HydrophobicContact CD2-CZ 4.43Å; W100-F102 HydrophobicContact CE3-CZ 4.18Å; W100-F102 HydrophobicContact CG-CZ 4.27Å |
| 103 | N | 84.6 | Confident | 82.9 | Confident | 59 Ų | 59 | 62.2 Ų | 62.2 | 32% | 0.316 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 115.5 | 166.7 | -80.2 | -35.5 | 0 | 0 | 0 | 109.4 | V26 I27 Y89 E90 | V26-N103 CarbonylContact C-O 3.04Å; V26-N103 VanDerWaalsContact CA-O 3.23Å; V26-N103 WeakPolarHBondContact CA-O 3.27Å; I27-N103 PolarHBondContact N-O 3.11Å; I27-N103 PolarHBondContact O-N 3.33Å; Y89-N103 CarbonylContact O-C 3.59Å; Y89-N103 WeakPolarHBondContact O-CA 3.4Å; E90-N103 WeakPolarHBondContact CA-OD1 3.26Å; E90-N103 WeakPolarHBondContact CB-OD1 3.49Å |
| 104 | A | 85.8 | Confident | 82.8 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 7% | 0.066 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 150.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y89 K110 | Y89-A104 VanDerWaalsContact CD1-O 3.27Å; Y89-A104 WeakPolarHBondContact CD1-O 3.43Å; Y89-A104 PolarHBondContact O-N 3.49Å; A104-K110 HydrophobicContact CB-CB 3.72Å; A104-K110 HydrophobicContact CB-CD 4.46Å; A104-K110 HydrophobicContact CB-CG 4.18Å |
| 105 | L | 81.9 | Confident | 82.7 | Confident | 65 Ų | 65 | 61.7 Ų | 61.7 | 34% | 0.34 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -79.4 | -28.3 | 176.7 | -67.4 | 174.9 | 0 | 0 | 0 | 112.8 | G25 I27 R36 | G25-L105 WeakPolarHBondContact O-CG 3.48Å; G25-L105 PolarHBondContact O-N 2.62Å; I27-L105 HydrophobicContact CD1-CD2 4.1Å; I27-L105 HydrophobicContact CG1-CD2 4.18Å; R36-L105 HydrophobicContact CG-CD1 4.28Å |
| 106 | K | 79.3 | Confident | 82.6 | Confident | 120 Ų | 120 | 61.1 Ų | 61.1 | 52% | 0.522 | 30% | 0.295 | S | S | . | . | trans | -138.6 | 138 | 177 | -58.8 | -171.7 | -161.6 | 144 | 0 | 110.1 | E108 E109 K110 | K106-E108 VanDerWaalsContact C-N 3.32Å; K106-E108 PolarHBondContact O-N 2.84Å; K106-E109 HydrophobicContact CB-CB 4.17Å; K106-E109 HydrophobicContact CB-CG 4.03Å; K106-E109 HydrophobicContact CD-CG 4.27Å; K106-E109 VanDerWaalsContact CD-OE1 3.3Å; K106-E109 WeakPolarHBondContact CD-OE1 3.49Å; K106-E109 WeakPolarHBondContact CE-OE1 3.39Å; K106-E109 IonicContact NZ-OE1 2.81Å; K106-E109 PolarHBondContact NZ-OE1 2.84Å; K106-E109 PolarHBondContact O-N 2.89Å; K106-K110 PolarHBondContact O-N 3.43Å; K106-K110 VanDerWaalsContact O-N 3.13Å | ||
| 107 | L | 77.9 | Confident | 83.1 | Confident | 50 Ų | 50 | 55.7 Ų | 55.7 | 26% | 0.262 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 177.8 | -66.4 | 172.5 | 0 | 0 | 0 | 112 | P87 S88 Y89 K110 R111 | P87-L107 HydrophobicContact CB-CD1 4.11Å; P87-L107 HydrophobicContact CB-CD2 4.24Å; P87-L107 HydrophobicContact CG-CD1 3.79Å; S88-L107 VanDerWaalsContact C-CD2 3.4Å; S88-L107 WeakPolarHBondContact O-CD2 3.22Å; Y89-L107 HydrophobicContact CD1-CD2 3.78Å; Y89-L107 HydrophobicContact CD1-CG 3.98Å; Y89-L107 HydrophobicContact CD2-CD2 3.94Å; Y89-L107 HydrophobicContact CD2-CG 4.4Å; Y89-L107 HydrophobicContact CE1-CD1 4.42Å; Y89-L107 HydrophobicContact CE1-CD2 3.95Å; Y89-L107 HydrophobicContact CE1-CG 3.62Å; Y89-L107 HydrophobicContact CE2-CD1 4.1Å; Y89-L107 HydrophobicContact CE2-CD2 4.06Å; Y89-L107 HydrophobicContact CE2-CG 4.02Å; Y89-L107 HydrophobicContact CG-CD2 3.8Å; Y89-L107 HydrophobicContact CG-CG 4.38Å; L107-K110 WeakPolarHBondContact O-CB 3.47Å; L107-K110 PolarHBondContact O-N 3.33Å; L107-R111 PolarHBondContact O-N 3.27Å |
| 108 | E | 79.2 | Confident | 83.4 | Confident | 126 Ų | 126 | 48.5 Ų | 48.5 | 59% | 0.589 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -65.8 | -41.2 | 179.4 | -167.5 | 56.1 | -145.4 | 0 | 0 | 112.1 | K106 K110 R111 H112 | K106-E108 VanDerWaalsContact C-N 3.32Å; K106-E108 PolarHBondContact O-N 2.84Å; E108-K110 VanDerWaalsContact C-N 3.35Å; E108-K110 PolarHBondContact O-N 3.45Å; E108-R111 PolarHBondContact O-N 2.99Å; E108-H112 WeakPolarHBondContact O-CB 3.49Å; E108-H112 PolarHBondContact O-N 3.36Å |
| 109 | E | 81.5 | Confident | 83.3 | Confident | 60 Ų | 60 | 45.4 Ų | 45.4 | 28% | 0.28 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.7 | -42.1 | 175.2 | -70.5 | 177.8 | -165.1 | 0 | 0 | 111 | I24 K106 H112 F113 | I24-E109 HydrophobicContact CB-CB 4.46Å; I24-E109 HydrophobicContact CG2-CB 3.92Å; I24-E109 WeakPolarHBondContact CG2-O 3.49Å; K106-E109 HydrophobicContact CB-CB 4.17Å; K106-E109 HydrophobicContact CB-CG 4.03Å; K106-E109 HydrophobicContact CD-CG 4.27Å; K106-E109 VanDerWaalsContact CD-OE1 3.3Å; K106-E109 WeakPolarHBondContact CD-OE1 3.49Å; K106-E109 WeakPolarHBondContact CE-OE1 3.39Å; K106-E109 IonicContact NZ-OE1 2.81Å; K106-E109 PolarHBondContact NZ-OE1 2.84Å; K106-E109 PolarHBondContact O-N 2.89Å; E109-H112 PolarHBondContact O-N 3.06Å; E109-F113 WeakPolarHBondContact O-CB 3.32Å; E109-F113 PolarHBondContact O-N 2.91Å |
| 110 | K | 82.8 | Confident | 83.1 | Confident | 3 Ų | 3 | 40.5 Ų | 40.5 | 1% | 0.013 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.2 | -49.2 | 173.7 | -177 | -161.8 | 166.1 | -164.2 | 0 | 110.9 | C80 D82 S88 E90 A104 K106 L107 E108 H112 F113 I114 | C80-K110 PolarHBondContact O-NZ 2.76Å; D82-K110 IonicContact OD1-NZ 3.72Å; D82-K110 PolarHBondContact OD1-NZ 2.91Å; D82-K110 IonicContact OD2-NZ 2.78Å; D82-K110 PolarHBondContact OD2-NZ 3.09Å; S88-K110 WeakPolarHBondContact O-CD 3.44Å; S88-K110 PolarHBondContact O-NZ 3.28Å; E90-K110 VanDerWaalsContact O-CE 3.31Å; E90-K110 WeakPolarHBondContact O-CE 3.42Å; E90-K110 PolarHBondContact O-NZ 3.08Å; A104-K110 HydrophobicContact CB-CB 3.72Å; A104-K110 HydrophobicContact CB-CD 4.46Å; A104-K110 HydrophobicContact CB-CG 4.18Å; K106-K110 PolarHBondContact O-N 3.43Å; K106-K110 VanDerWaalsContact O-N 3.13Å; L107-K110 WeakPolarHBondContact O-CB 3.47Å; L107-K110 PolarHBondContact O-N 3.33Å; E108-K110 VanDerWaalsContact C-N 3.35Å; E108-K110 PolarHBondContact O-N 3.45Å; K110-H112 PolarHBondContact O-N 3.29Å; K110-F113 PolarHBondContact O-N 3.45Å; K110-I114 HydrophobicContact CD-CD1 4.28Å; K110-I114 HydrophobicContact CG-CD1 3.7Å; K110-I114 WeakPolarHBondContact O-CD1 3.35Å; K110-I114 VanDerWaalsContact O-CG1 3.28Å; K110-I114 WeakPolarHBondContact O-CG1 3.32Å; K110-I114 PolarHBondContact O-N 2.98Å |
| 111 | R | 81.3 | Confident | 83 | Confident | 89 Ų | 89 | 38.5 Ų | 38.5 | 34% | 0.336 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -58.4 | -47.5 | 179 | -172.2 | -176.6 | -177.2 | 164.9 | 7.6 | 111.1 | L107 E108 F113 I114 S115 D140 I141 | L107-R111 PolarHBondContact O-N 3.27Å; E108-R111 PolarHBondContact O-N 2.99Å; R111-F113 PolarHBondContact O-N 2.89Å; R111-I114 PolarHBondContact O-N 2.83Å; R111-S115 WeakPolarHBondContact O-CB 3.31Å; R111-S115 PolarHBondContact O-N 3.46Å; R111-D140 IonicContact NH2-OD2 2.82Å; R111-D140 PolarHBondContact NH2-OD2 3.49Å; R111-I141 HydrophobicContact CG-CD1 3.92Å; R111-I141 HydrophobicContact CG-CG1 4.17Å |
| 112 | H | 80.9 | Confident | 82.7 | Confident | 97 Ų | 97 | 37.5 Ų | 37.5 | 45% | 0.449 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -65.4 | -39 | 179.4 | -165.1 | 65.3 | 0 | 0 | 0 | 112.3 | E108 E109 K110 S116 | E108-H112 WeakPolarHBondContact O-CB 3.49Å; E108-H112 PolarHBondContact O-N 3.36Å; E109-H112 PolarHBondContact O-N 3.06Å; K110-H112 PolarHBondContact O-N 3.29Å; H112-S116 WeakPolarHBondContact O-CB 3.34Å; H112-S116 PolarHBondContact O-N 3.36Å |
| 113 | F | 85.6 | Confident | 82.3 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.6 | -47.1 | 175 | -177.3 | -89.3 | 0 | 0 | 0 | 112.9 | L22 I24 L39 F41 E109 K110 R111 F117 | L22-F113 HydrophobicContact CB-CD2 4.33Å; L22-F113 HydrophobicContact CD2-CB 3.83Å; L22-F113 HydrophobicContact CD2-CD2 4.12Å; L22-F113 HydrophobicContact CD2-CG 4.44Å; I24-F113 HydrophobicContact CB-CD2 4.4Å; I24-F113 HydrophobicContact CD1-CB 3.87Å; I24-F113 HydrophobicContact CD1-CD1 4.06Å; I24-F113 HydrophobicContact CD1-CD2 4.13Å; I24-F113 HydrophobicContact CD1-CG 3.76Å; I24-F113 HydrophobicContact CG1-CB 4.25Å; I24-F113 HydrophobicContact CG1-CD2 3.79Å; I24-F113 HydrophobicContact CG1-CE2 4.26Å; I24-F113 HydrophobicContact CG1-CG 3.96Å; I24-F113 HydrophobicContact CG2-CB 3.6Å; I24-F113 HydrophobicContact CG2-CD2 3.91Å; I24-F113 HydrophobicContact CG2-CG 4.07Å; L39-F113 HydrophobicContact CD2-CE1 3.85Å; L39-F113 HydrophobicContact CD2-CZ 3.85Å; L39-F113 HydrophobicContact CG-CE1 4.42Å; L39-F113 HydrophobicContact CG-CE2 4.45Å; L39-F113 HydrophobicContact CG-CZ 3.9Å; F41-F113 HydrophobicContact CB-CZ 4.46Å; F41-F113 HydrophobicContact CD1-CD2 4.18Å; F41-F113 AromaticContact CD1-CE2 3.66Å; F41-F113 HydrophobicContact CD1-CE2 3.66Å; F41-F113 AromaticContact CD1-CZ 3.98Å; F41-F113 HydrophobicContact CD1-CZ 3.98Å; F41-F113 HydrophobicContact CE1-CE2 4.42Å; E109-F113 WeakPolarHBondContact O-CB 3.32Å; E109-F113 PolarHBondContact O-N 2.91Å; K110-F113 PolarHBondContact O-N 3.45Å; R111-F113 PolarHBondContact O-N 2.89Å; F113-F117 WeakPolarHBondContact O-CB 3.41Å; F113-F117 PolarHBondContact O-N 3.3Å |
| 114 | I | 84.2 | Confident | 82 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.9 | -48.7 | 178.7 | -68.7 | 159.8 | 0 | 0 | 0 | 110.1 | C80 L91 K110 R111 F117 C118 F137 I141 | C80-I114 HydrophobicContact CB-CD1 4.2Å; C80-I114 WeakPolarHBondContact SG-CD1 3.44Å; L91-I114 HydrophobicContact CD1-CD1 4.3Å; L91-I114 HydrophobicContact CD1-CG1 4.4Å; K110-I114 HydrophobicContact CD-CD1 4.28Å; K110-I114 HydrophobicContact CG-CD1 3.7Å; K110-I114 WeakPolarHBondContact O-CD1 3.35Å; K110-I114 VanDerWaalsContact O-CG1 3.28Å; K110-I114 WeakPolarHBondContact O-CG1 3.32Å; K110-I114 PolarHBondContact O-N 2.98Å; R111-I114 PolarHBondContact O-N 2.83Å; I114-F117 PolarHBondContact O-N 2.6Å; I114-C118 VanDerWaalsContact O-CB 3.27Å; I114-C118 WeakPolarHBondContact O-CB 3.4Å; I114-C118 PolarHBondContact O-N 3.39Å; I114-C118 PolarHBondContact O-SG 2.77Å; I114-C118 VanDerWaalsContact O-SG 3.33Å; I114-F137 HydrophobicContact CG2-CD1 3.89Å; I114-F137 HydrophobicContact CG2-CE1 3.05Å; I114-F137 HydrophobicContact CG2-CE2 4.22Å; I114-F137 HydrophobicContact CG2-CZ 3.24Å; I114-I141 HydrophobicContact CG2-CD1 4.45Å |
| 115 | S | 81.9 | Confident | 81.9 | Confident | 25 Ų | 25 | 39.3 Ų | 39.3 | 18% | 0.175 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.3 | -50.2 | 178.3 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | R111 C118 R119 N142 | R111-S115 WeakPolarHBondContact O-CB 3.31Å; R111-S115 PolarHBondContact O-N 3.46Å; S115-C118 PolarHBondContact O-N 3.11Å; S115-R119 WeakPolarHBondContact O-CB 3.48Å; S115-R119 WeakPolarHBondContact O-CG 2.97Å; S115-R119 PolarHBondContact O-N 2.94Å; S115-N142 PolarHBondContact OG-O 3.29Å |
| 116 | S | 82.4 | Confident | 81.7 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 5% | 0.049 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.7 | -43.3 | -179.5 | -177.6 | 0 | 0 | 0 | 0 | 112.1 | H112 T120 | H112-S116 WeakPolarHBondContact O-CB 3.34Å; H112-S116 PolarHBondContact O-N 3.36Å; S116-T120 VanDerWaalsContact O-CB 3.25Å; S116-T120 WeakPolarHBondContact O-CB 3.17Å; S116-T120 PolarHBondContact O-N 2.73Å; S116-T120 PolarHBondContact O-OG1 2.83Å |
| 117 | F | 86.7 | Confident | 81.6 | Confident | 7 Ų | 7 | 39 Ų | 39 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63 | -47.7 | 177.6 | -178.7 | -115.6 | 0 | 0 | 0 | 111.8 | F41 I51 V53 L75 I78 F113 I114 T120 L121 | F41-F117 HydrophobicContact CB-CD2 3.73Å; F41-F117 HydrophobicContact CB-CE2 3.9Å; F41-F117 HydrophobicContact CD1-CB 4.02Å; F41-F117 AromaticContact CD1-CD2 3.77Å; F41-F117 HydrophobicContact CD1-CD2 3.77Å; F41-F117 HydrophobicContact CD1-CG 4.33Å; F41-F117 AromaticContact CD2-CD2 3.95Å; F41-F117 HydrophobicContact CD2-CD2 3.95Å; F41-F117 HydrophobicContact CE1-CB 3.93Å; F41-F117 HydrophobicContact CE1-CD2 4.32Å; F41-F117 HydrophobicContact CE2-CD2 4.48Å; F41-F117 AromaticContact CG-CD2 3.56Å; F41-F117 HydrophobicContact CG-CD2 3.56Å; F41-F117 HydrophobicContact CG-CE2 4.21Å; F41-F117 HydrophobicContact CZ-CB 4.48Å; I51-F117 HydrophobicContact CG2-CD2 4.34Å; I51-F117 HydrophobicContact CG2-CE2 3.65Å; V53-F117 HydrophobicContact CG2-CE2 3.71Å; V53-F117 HydrophobicContact CG2-CZ 3.72Å; L75-F117 HydrophobicContact CD2-CE1 4.03Å; L75-F117 HydrophobicContact CD2-CZ 4.24Å; I78-F117 HydrophobicContact CD1-CD1 4.17Å; I78-F117 HydrophobicContact CD1-CE1 3.82Å; F113-F117 WeakPolarHBondContact O-CB 3.41Å; F113-F117 PolarHBondContact O-N 3.3Å; I114-F117 PolarHBondContact O-N 2.6Å; F117-T120 PolarHBondContact O-N 3.24Å; F117-L121 HydrophobicContact CD1-CD1 3.78Å; F117-L121 HydrophobicContact CD2-CD1 4.42Å; F117-L121 HydrophobicContact CE1-CD1 3.38Å; F117-L121 HydrophobicContact CE1-CG 4.48Å; F117-L121 HydrophobicContact CE2-CD1 4.09Å; F117-L121 HydrophobicContact CE2-CG 4.42Å; F117-L121 HydrophobicContact CG-CD1 4.3Å; F117-L121 HydrophobicContact CZ-CD1 3.56Å; F117-L121 HydrophobicContact CZ-CG 4.32Å; F117-L121 WeakPolarHBondContact O-CB 3.35Å; F117-L121 WeakPolarHBondContact O-CG 3.48Å; F117-L121 PolarHBondContact O-N 3.37Å |
| 118 | C | 85.1 | Confident | 81.7 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.3 | -41.3 | 179.1 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | I114 S115 T120 L121 A122 I129 I143 | I114-C118 VanDerWaalsContact O-CB 3.27Å; I114-C118 WeakPolarHBondContact O-CB 3.4Å; I114-C118 PolarHBondContact O-N 3.39Å; I114-C118 PolarHBondContact O-SG 2.77Å; I114-C118 VanDerWaalsContact O-SG 3.33Å; S115-C118 PolarHBondContact O-N 3.11Å; C118-T120 VanDerWaalsContact C-N 3.31Å; C118-T120 PolarHBondContact O-N 2.98Å; C118-L121 PolarHBondContact O-N 3.39Å; C118-A122 WeakPolarHBondContact O-CB 3.36Å; C118-A122 PolarHBondContact O-N 2.82Å; C118-I129 HydrophobicContact CB-CD1 4.44Å; C118-I129 WeakPolarHBondContact O-CD1 3.42Å; C118-I143 HydrophobicContact CB-CG2 3.77Å |
| 119 | R | 82.1 | Confident | 81.7 | Confident | 44 Ų | 44 | 32.4 Ų | 32.4 | 17% | 0.166 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.4 | -39 | 173.3 | -75.1 | -175.2 | 84.1 | -176.5 | -4.2 | 111.8 | S115 A122 T123 N142 S144 E150 | S115-R119 WeakPolarHBondContact O-CB 3.48Å; S115-R119 WeakPolarHBondContact O-CG 2.97Å; S115-R119 PolarHBondContact O-N 2.94Å; R119-A122 PolarHBondContact O-N 3.44Å; R119-T123 WeakPolarHBondContact O-CB 3.36Å; R119-T123 PolarHBondContact O-N 3.37Å; R119-T123 PolarHBondContact O-OG1 3.45Å; R119-N142 WeakPolarHBondContact CD-O 3.39Å; R119-N142 WeakPolarHBondContact CG-O 3.35Å; R119-S144 PolarHBondContact NE-O 3.28Å; R119-E150 IonicContact NH2-OE2 3.8Å; R119-E150 PolarHBondContact NH2-OE2 3.33Å |
| 120 | T | 82.1 | Confident | 81.6 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -44.2 | 175.8 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | F41 I43 I51 S116 F117 C118 T123 L124 L155 | F41-T120 HydrophobicContact CE2-CG2 4.13Å; I43-T120 HydrophobicContact CD1-CG2 3.51Å; I43-T120 HydrophobicContact CG1-CG2 4.03Å; I51-T120 HydrophobicContact CD1-CG2 3.83Å; S116-T120 VanDerWaalsContact O-CB 3.25Å; S116-T120 WeakPolarHBondContact O-CB 3.17Å; S116-T120 PolarHBondContact O-N 2.73Å; S116-T120 PolarHBondContact O-OG1 2.83Å; F117-T120 PolarHBondContact O-N 3.24Å; C118-T120 VanDerWaalsContact C-N 3.31Å; C118-T120 PolarHBondContact O-N 2.98Å; T120-T123 PolarHBondContact O-N 2.95Å; T120-L124 HydrophobicContact CG2-CD1 3.72Å; T120-L124 HydrophobicContact CG2-CG 4.45Å; T120-L124 WeakPolarHBondContact O-CB 3.38Å; T120-L124 PolarHBondContact O-N 2.84Å; T120-L155 WeakPolarHBondContact OG1-CD2 3.32Å |
| 121 | L | 83 | Confident | 81.5 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.1 | -45.2 | 174.9 | -79.2 | 168.6 | 0 | 0 | 0 | 111.9 | I51 A72 F117 C118 T123 L125 I129 I132 | I51-L121 HydrophobicContact CB-CD2 4.41Å; I51-L121 HydrophobicContact CD1-CD2 3.69Å; I51-L121 HydrophobicContact CD1-CG 4.14Å; A72-L121 HydrophobicContact CB-CD2 3.65Å; F117-L121 HydrophobicContact CD1-CD1 3.78Å; F117-L121 HydrophobicContact CD2-CD1 4.42Å; F117-L121 HydrophobicContact CE1-CD1 3.38Å; F117-L121 HydrophobicContact CE1-CG 4.48Å; F117-L121 HydrophobicContact CE2-CD1 4.09Å; F117-L121 HydrophobicContact CE2-CG 4.42Å; F117-L121 HydrophobicContact CG-CD1 4.3Å; F117-L121 HydrophobicContact CZ-CD1 3.56Å; F117-L121 HydrophobicContact CZ-CG 4.32Å; F117-L121 WeakPolarHBondContact O-CB 3.35Å; F117-L121 WeakPolarHBondContact O-CG 3.48Å; F117-L121 PolarHBondContact O-N 3.37Å; C118-L121 PolarHBondContact O-N 3.39Å; L121-T123 PolarHBondContact O-N 2.95Å; L121-L125 HydrophobicContact CD2-CB 4.49Å; L121-L125 HydrophobicContact CD2-CD1 4.29Å; L121-L125 CarbonylContact O-C 3.57Å; L121-L125 VanDerWaalsContact O-CA 3.3Å; L121-L125 WeakPolarHBondContact O-CA 3.42Å; L121-L125 PolarHBondContact O-N 3.26Å; L121-I129 HydrophobicContact CB-CB 4.32Å; L121-I129 HydrophobicContact CB-CD1 4.1Å; L121-I129 HydrophobicContact CB-CG1 4.45Å; L121-I132 HydrophobicContact CD1-CD1 4.33Å |
| 122 | A | 81.4 | Confident | 81.6 | Confident | 13 Ų | 13 | 39.2 Ų | 39.2 | 11% | 0.107 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.7 | -37.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C118 R119 I129 P145 | C118-A122 WeakPolarHBondContact O-CB 3.36Å; C118-A122 PolarHBondContact O-N 2.82Å; R119-A122 PolarHBondContact O-N 3.44Å; A122-I129 HydrophobicContact CB-CD1 3.88Å; A122-P145 HydrophobicContact CB-CB 4.36Å |
| 123 | T | 79 | Confident | 81.6 | Confident | 48 Ų | 48 | 39.6 Ų | 39.6 | 29% | 0.294 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -80.4 | -44.4 | -178.1 | -52.2 | 0 | 0 | 0 | 0 | 112.4 | R119 T120 L121 L146 | R119-T123 WeakPolarHBondContact O-CB 3.36Å; R119-T123 PolarHBondContact O-N 3.37Å; R119-T123 PolarHBondContact O-OG1 3.45Å; T120-T123 PolarHBondContact O-N 2.95Å; L121-T123 PolarHBondContact O-N 2.95Å; T123-L146 HydrophobicContact CG2-CB 4.22Å; T123-L146 HydrophobicContact CG2-CD1 3.73Å; T123-L146 HydrophobicContact CG2-CG 4.49Å; T123-L146 PolarHBondContact OG1-N 3.48Å |
| 124 | L | 78.9 | Confident | 81.4 | Confident | 49 Ų | 49 | 42.4 Ų | 42.4 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -95 | -28.8 | -171.8 | -63.7 | 176.4 | 0 | 0 | 0 | 113.9 | I43 T49 I51 T120 | I43-L124 HydrophobicContact CD1-CD1 4.08Å; I43-L124 HydrophobicContact CG1-CD1 4.45Å; I43-L124 HydrophobicContact CG2-CD1 3.66Å; T49-L124 HydrophobicContact CG2-CB 4.45Å; T49-L124 HydrophobicContact CG2-CD1 4.12Å; I51-L124 HydrophobicContact CD1-CB 4.37Å; I51-L124 HydrophobicContact CD1-CD1 4.38Å; T120-L124 HydrophobicContact CG2-CD1 3.72Å; T120-L124 HydrophobicContact CG2-CG 4.45Å; T120-L124 WeakPolarHBondContact O-CB 3.38Å; T120-L124 PolarHBondContact O-N 2.84Å |
| 125 | L | 82.5 | Confident | 81.2 | Confident | 9 Ų | 9 | 43.6 Ų | 43.6 | 5% | 0.047 | 23% | 0.225 | C | C | . | . | trans | -137.9 | 60.9 | -174.9 | -65.4 | 174.8 | 0 | 0 | 0 | 111.4 | I51 A72 L121 H127 V128 I129 | I51-L125 HydrophobicContact CB-CD1 4.37Å; I51-L125 HydrophobicContact CD1-CD1 4.03Å; I51-L125 HydrophobicContact CG1-CD1 4.11Å; A72-L125 HydrophobicContact CB-CD1 4.47Å; L121-L125 HydrophobicContact CD2-CB 4.49Å; L121-L125 HydrophobicContact CD2-CD1 4.29Å; L121-L125 CarbonylContact O-C 3.57Å; L121-L125 VanDerWaalsContact O-CA 3.3Å; L121-L125 WeakPolarHBondContact O-CA 3.42Å; L121-L125 PolarHBondContact O-N 3.26Å; L125-H127 PolarHBondContact O-N 2.96Å; L125-H127 VanDerWaalsContact O-N 3.1Å; L125-V128 HydrophobicContact CB-CB 4.05Å; L125-V128 HydrophobicContact CB-CG2 3.93Å; L125-V128 HydrophobicContact CD1-CG2 4.38Å; L125-V128 HydrophobicContact CD2-CG2 4.5Å; L125-V128 PolarHBondContact O-N 2.76Å; L125-I129 PolarHBondContact O-N 3.24Å | ||
| 126 | P | 78.1 | Confident | 81.1 | Confident | 68 Ų | 68 | 46 Ų | 46 | 44% | 0.442 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.5 | -20 | -173.6 | 22.6 | -33.4 | 0 | 0 | 0 | 114.8 | I129 | P126-I129 WeakPolarHBondContact O-CG2 3.46Å |
| 127 | H | 76.8 | Confident | 80.8 | Confident | 112 Ų | 112 | 47.6 Ų | 47.6 | 52% | 0.519 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -76.3 | -41.1 | 173.1 | 53.4 | -78.5 | 0 | 0 | 0 | 111.3 | L125 I129 K130 | L125-H127 PolarHBondContact O-N 2.96Å; L125-H127 VanDerWaalsContact O-N 3.1Å; H127-I129 PolarHBondContact O-N 3.43Å; H127-K130 PolarHBondContact O-N 2.93Å |
| 128 | V | 80.7 | Confident | 79.8 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.8 | -38.9 | -178.1 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | A72 K73 L125 K130 D131 I132 | A72-V128 VanDerWaalsContact O-CG1 3.27Å; A72-V128 WeakPolarHBondContact O-CG1 3.39Å; K73-V128 HydrophobicContact CG-CG2 4.33Å; L125-V128 HydrophobicContact CB-CB 4.05Å; L125-V128 HydrophobicContact CB-CG2 3.93Å; L125-V128 HydrophobicContact CD1-CG2 4.38Å; L125-V128 HydrophobicContact CD2-CG2 4.5Å; L125-V128 PolarHBondContact O-N 2.76Å; V128-K130 PolarHBondContact O-N 3.2Å; V128-D131 PolarHBondContact O-N 3.46Å; V128-I132 HydrophobicContact CG1-CD1 4.02Å; V128-I132 WeakPolarHBondContact O-CG1 3.49Å; V128-I132 PolarHBondContact O-N 3.45Å |
| 129 | I | 79.9 | Confident | 78.7 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 14% | 0.138 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65 | -29.5 | -179.1 | -163.7 | 168.6 | 0 | 0 | 0 | 112.9 | C118 L121 A122 L125 P126 H127 D131 I132 I143 | C118-I129 HydrophobicContact CB-CD1 4.44Å; C118-I129 WeakPolarHBondContact O-CD1 3.42Å; L121-I129 HydrophobicContact CB-CB 4.32Å; L121-I129 HydrophobicContact CB-CD1 4.1Å; L121-I129 HydrophobicContact CB-CG1 4.45Å; A122-I129 HydrophobicContact CB-CD1 3.88Å; L125-I129 PolarHBondContact O-N 3.24Å; P126-I129 WeakPolarHBondContact O-CG2 3.46Å; H127-I129 PolarHBondContact O-N 3.43Å; I129-D131 VanDerWaalsContact C-N 3.29Å; I129-D131 PolarHBondContact O-N 2.97Å; I129-I132 PolarHBondContact O-N 2.95Å; I129-I143 HydrophobicContact CD1-CG2 4.09Å |
| 130 | K | 77.9 | Confident | 77.9 | Confident | 151 Ų | 151 | 60.6 Ų | 60.6 | 66% | 0.657 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -70 | -28.6 | 178.3 | -70.6 | -174.4 | 176.4 | -161.8 | 0 | 112.6 | H127 V128 I132 | H127-K130 PolarHBondContact O-N 2.93Å; V128-K130 PolarHBondContact O-N 3.2Å; K130-I132 VanDerWaalsContact C-N 3.34Å |
| 131 | D | 81.1 | Confident | 77.2 | Confident | 133 Ų | 133 | 61.4 Ų | 61.4 | 71% | 0.711 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -84.1 | -11.2 | -179.9 | -61.2 | -23.4 | 0 | 0 | 0 | 112.8 | V128 I129 | V128-D131 PolarHBondContact O-N 3.46Å; I129-D131 VanDerWaalsContact C-N 3.29Å; I129-D131 PolarHBondContact O-N 2.97Å |
| 132 | I | 83.2 | Confident | 76.4 | Confident | 10 Ų | 10 | 65.5 Ų | 65.5 | 5% | 0.051 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -90.1 | 121.9 | -179.1 | -64.3 | 162.4 | 0 | 0 | 0 | 109.8 | L75 I78 L121 V128 I129 K130 L134 | L75-I132 HydrophobicContact CB-CD1 4.14Å; L75-I132 HydrophobicContact CB-CG1 4.25Å; L75-I132 HydrophobicContact CD2-CD1 3.87Å; L75-I132 HydrophobicContact CD2-CG1 4.48Å; L75-I132 HydrophobicContact CD2-CG2 4.46Å; L75-I132 HydrophobicContact CG-CD1 4.11Å; L75-I132 HydrophobicContact CG-CG1 4.22Å; L75-I132 HydrophobicContact CG-CG2 4.27Å; L75-I132 WeakPolarHBondContact O-CG1 3.46Å; I78-I132 HydrophobicContact CD1-CG2 4.2Å; I78-I132 HydrophobicContact CG1-CG2 3.91Å; L121-I132 HydrophobicContact CD1-CD1 4.33Å; V128-I132 HydrophobicContact CG1-CD1 4.02Å; V128-I132 WeakPolarHBondContact O-CG1 3.49Å; V128-I132 PolarHBondContact O-N 3.45Å; I129-I132 PolarHBondContact O-N 2.95Å; K130-I132 VanDerWaalsContact C-N 3.34Å; I132-L134 HydrophobicContact CG2-CD2 3.92Å; I132-L134 PolarHBondContact O-N 3.47Å |
| 133 | E | 81.8 | Confident | 75.8 | Confident | 106 Ų | 106 | 67.2 Ų | 67.2 | 50% | 0.495 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 109.4 | 173.2 | -160.5 | -166.1 | 146.6 | 0 | 0 | 109.9 | K76 K77 I78 V135 | K76-E133 PolarHBondContact O-N 3.42Å; K77-E133 VanDerWaalsContact CA-O 3.31Å; K77-E133 WeakPolarHBondContact CA-O 3.4Å; K77-E133 HydrophobicContact CB-CB 4.06Å; K77-E133 HydrophobicContact CD-CB 4.38Å; K77-E133 WeakPolarHBondContact CD-OE2 3.5Å; K77-E133 HydrophobicContact CG-CB 4.12Å; K77-E133 WeakPolarHBondContact CG-O 3.44Å; K77-E133 VanDerWaalsContact NZ-CD 3.35Å; K77-E133 IonicContact NZ-OE1 2.92Å; K77-E133 PolarHBondContact NZ-OE1 2.84Å; K77-E133 IonicContact NZ-OE2 3.59Å; K77-E133 PolarHBondContact NZ-OE2 3.33Å; I78-E133 PolarHBondContact N-O 3.07Å; E133-V135 HydrophobicContact CG-CG2 3.76Å; E133-V135 VanDerWaalsContact OE1-CG2 3.29Å; E133-V135 WeakPolarHBondContact OE1-CG2 3.35Å |
| 134 | L | 81.2 | Confident | 75.2 | Confident | 62 Ų | 62 | 68.3 Ų | 68.3 | 33% | 0.325 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 114.5 | 176.1 | -58.8 | 179.4 | 0 | 0 | 0 | 109.8 | I78 I132 F137 I143 | I78-L134 HydrophobicContact CB-CD2 4.1Å; I78-L134 HydrophobicContact CD1-CD2 3.96Å; I78-L134 HydrophobicContact CG1-CD2 4.3Å; I132-L134 HydrophobicContact CG2-CD2 3.92Å; I132-L134 PolarHBondContact O-N 3.47Å; L134-F137 HydrophobicContact CB-CD2 4.02Å; L134-F137 HydrophobicContact CB-CE2 3.88Å; L134-F137 HydrophobicContact CB-CZ 4.45Å; L134-F137 HydrophobicContact CD1-CZ 4.41Å; L134-F137 HydrophobicContact CD2-CE2 3.79Å; L134-F137 HydrophobicContact CD2-CZ 3.8Å; L134-F137 HydrophobicContact CG-CE2 4.3Å; L134-F137 HydrophobicContact CG-CZ 4.45Å; L134-I143 HydrophobicContact CD1-CD1 4.36Å |
| 135 | V | 80 | Confident | 74.4 | Confident | 30 Ų | 30 | 69.7 Ų | 69.7 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 138.5 | -172.1 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | K77 I78 D79 C80 E133 F137 | K77-V135 HydrophobicContact CD-CG2 4.28Å; K77-V135 VanDerWaalsContact CE-CG2 3.4Å; K77-V135 HydrophobicContact CG-CG2 4.33Å; I78-V135 PolarHBondContact O-N 3.01Å; D79-V135 WeakPolarHBondContact CA-O 3.29Å; D79-V135 HydrophobicContact CB-CB 4.29Å; C80-V135 PolarHBondContact N-O 2.95Å; E133-V135 HydrophobicContact CG-CG2 3.76Å; E133-V135 VanDerWaalsContact OE1-CG2 3.29Å; E133-V135 WeakPolarHBondContact OE1-CG2 3.35Å; V135-F137 PolarHBondContact O-N 3.49Å |
| 136 | N | 78.8 | Confident | 73.3 | Confident | 75 Ų | 75 | 70.8 Ų | 70.8 | 40% | 0.401 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 57.7 | 40.4 | 177.5 | -61.9 | -38.9 | 0 | 0 | 0 | 114.1 | D79 C80 D82 | D79-N136 PolarHBondContact OD1-ND2 3.49Å; C80-N136 VanDerWaalsContact CB-O 3.31Å; C80-N136 WeakPolarHBondContact CB-O 3.45Å; D82-N136 WeakPolarHBondContact CB-O 3.39Å; D82-N136 PolarHBondContact N-O 3.44Å; D82-N136 WeakPolarHBondContact O-CB 3.39Å |
| 137 | F | 76.3 | Confident | 72.2 | Confident | 41 Ų | 41 | 70.8 Ų | 70.8 | 18% | 0.18 | 37% | 0.374 | C | S | . | . | trans | -77.2 | 144.6 | 176 | -97.5 | -119.5 | 0 | 0 | 0 | 112 | I78 C80 I114 L134 V135 I141 I143 | I78-F137 HydrophobicContact CB-CE2 4.43Å; I78-F137 HydrophobicContact CG2-CE2 4.16Å; C80-F137 HydrophobicContact CB-CD2 4.4Å; C80-F137 VanDerWaalsContact SG-CD2 3.55Å; C80-F137 WeakPolarHBondContact SG-CE2 3.12Å; I114-F137 HydrophobicContact CG2-CD1 3.89Å; I114-F137 HydrophobicContact CG2-CE1 3.05Å; I114-F137 HydrophobicContact CG2-CE2 4.22Å; I114-F137 HydrophobicContact CG2-CZ 3.24Å; L134-F137 HydrophobicContact CB-CD2 4.02Å; L134-F137 HydrophobicContact CB-CE2 3.88Å; L134-F137 HydrophobicContact CB-CZ 4.45Å; L134-F137 HydrophobicContact CD1-CZ 4.41Å; L134-F137 HydrophobicContact CD2-CE2 3.79Å; L134-F137 HydrophobicContact CD2-CZ 3.8Å; L134-F137 HydrophobicContact CG-CE2 4.3Å; L134-F137 HydrophobicContact CG-CZ 4.45Å; V135-F137 PolarHBondContact O-N 3.49Å; F137-I141 HydrophobicContact CD1-CD1 4.48Å; F137-I143 HydrophobicContact CD1-CD1 4.01Å; F137-I143 HydrophobicContact CE1-CD1 4.1Å | ||
| 138 | P | 66.8 | Low | 71 | Confident | 34 Ų | 34 | 75.2 Ų | 75.2 | 22% | 0.221 | 39% | 0.394 | C | S | . | . | trans | -59.9 | 134.8 | 168 | -22 | 32.1 | 0 | 0 | 0 | 111.6 | D82 D140 I141 | D82-P138 WeakPolarHBondContact OD2-CD 3.29Å; D82-P138 VanDerWaalsContact OD2-CG 3.22Å; D82-P138 WeakPolarHBondContact OD2-CG 3.47Å; P138-D140 VanDerWaalsContact C-N 3.27Å; P138-D140 PolarHBondContact O-N 3.45Å; P138-I141 HydrophobicContact CB-CD1 3.88Å; P138-I141 HydrophobicContact CB-CG1 4.03Å; P138-I141 HydrophobicContact CG-CD1 3.69Å; P138-I141 HydrophobicContact CG-CG1 4.39Å; P138-I141 PolarHBondContact O-N 3.37Å | ||
| 139 | Q | 62.2 | Low | 69.4 | Low | 169 Ų | 169 | 81.9 Ų | 81.9 | 79% | 0.79 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -25.7 | -169.3 | -68.6 | -178.3 | -18 | 0 | 0 | 114.1 | ||
| 140 | D | 64 | Low | 68 | Low | 122 Ų | 122 | 85 Ų | 85 | 65% | 0.652 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 19.9 | -173.8 | 4.8 | -63.7 | 0 | 0 | 0 | 113.4 | R111 P138 | R111-D140 IonicContact NH2-OD2 2.82Å; R111-D140 PolarHBondContact NH2-OD2 3.49Å; P138-D140 VanDerWaalsContact C-N 3.27Å; P138-D140 PolarHBondContact O-N 3.45Å |
| 141 | I | 67.6 | Low | 66.9 | Low | 19 Ų | 19 | 82.1 Ų | 82.1 | 10% | 0.097 | 44% | 0.439 | C | S | . | . | trans | -85.3 | 118.2 | 174 | -65.5 | 178.1 | 0 | 0 | 0 | 109.9 | R111 I114 F137 P138 I143 | R111-I141 HydrophobicContact CG-CD1 3.92Å; R111-I141 HydrophobicContact CG-CG1 4.17Å; I114-I141 HydrophobicContact CG2-CD1 4.45Å; F137-I141 HydrophobicContact CD1-CD1 4.48Å; P138-I141 HydrophobicContact CB-CD1 3.88Å; P138-I141 HydrophobicContact CB-CG1 4.03Å; P138-I141 HydrophobicContact CG-CD1 3.69Å; P138-I141 HydrophobicContact CG-CG1 4.39Å; P138-I141 PolarHBondContact O-N 3.37Å; I141-I143 HydrophobicContact CG2-CG1 4.01Å; I141-I143 PolarHBondContact O-N 2.9Å | ||
| 142 | N | 66.9 | Low | 65.6 | Low | 87 Ų | 87 | 79 Ų | 79 | 47% | 0.465 | 42% | 0.422 | S | S | . | . | trans | -71 | 113.3 | 168.8 | -170.1 | -15.6 | 0 | 0 | 0 | 109.8 | S115 R119 S144 | S115-N142 PolarHBondContact OG-O 3.29Å; R119-N142 WeakPolarHBondContact CD-O 3.39Å; R119-N142 WeakPolarHBondContact CG-O 3.35Å; N142-S144 WeakPolarHBondContact OD1-CB 3.46Å; N142-S144 PolarHBondContact OD1-N 2.96Å; N142-S144 PolarHBondContact OD1-OG 3.49Å | ||
| 143 | I | 67.9 | Low | 64.3 | Low | 50 Ų | 50 | 82.6 Ų | 82.6 | 26% | 0.256 | 44% | 0.442 | S | S | . | . | trans | -102.8 | -1.9 | 176.2 | -52.7 | 168.1 | 0 | 0 | 0 | 110.7 | C118 I129 L134 F137 I141 | C118-I143 HydrophobicContact CB-CG2 3.77Å; I129-I143 HydrophobicContact CD1-CG2 4.09Å; L134-I143 HydrophobicContact CD1-CD1 4.36Å; F137-I143 HydrophobicContact CD1-CD1 4.01Å; F137-I143 HydrophobicContact CE1-CD1 4.1Å; I141-I143 HydrophobicContact CG2-CG1 4.01Å; I141-I143 PolarHBondContact O-N 2.9Å | ||
| 144 | S | 66.6 | Low | 63 | Low | 71 Ų | 71 | 80.6 Ų | 80.6 | 50% | 0.497 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 139.5 | -174.9 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | R119 N142 | R119-S144 PolarHBondContact NE-O 3.28Å; N142-S144 WeakPolarHBondContact OD1-CB 3.46Å; N142-S144 PolarHBondContact OD1-N 2.96Å; N142-S144 PolarHBondContact OD1-OG 3.49Å |
| 145 | P | 63.1 | Low | 61.6 | Low | 78 Ų | 78 | 79.6 Ų | 79.6 | 51% | 0.506 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -60 | 152.8 | 176.2 | 23.7 | -30.8 | 0 | 0 | 0 | 111.1 | A122 S147 | A122-P145 HydrophobicContact CB-CB 4.36Å; P145-S147 PolarHBondContact O-N 3.11Å |
| 146 | L | 59.4 | Low | 60.4 | Low | 31 Ų | 31 | 79.5 Ų | 79.5 | 16% | 0.162 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 133.7 | -178.2 | -77.3 | 140.3 | 0 | 0 | 0 | 111.7 | T123 E150 L152 L155 | T123-L146 HydrophobicContact CG2-CB 4.22Å; T123-L146 HydrophobicContact CG2-CD1 3.73Å; T123-L146 HydrophobicContact CG2-CG 4.49Å; T123-L146 PolarHBondContact OG1-N 3.48Å; L146-E150 HydrophobicContact CB-CB 4.48Å; L146-E150 HydrophobicContact CD2-CB 3.4Å; L146-E150 HydrophobicContact CD2-CG 4.45Å; L146-L152 HydrophobicContact CD1-CD1 4.13Å; L146-L155 HydrophobicContact CD2-CD1 4.29Å |
| 147 | S | 54 | Low | 58.9 | Low | 69 Ų | 69 | 81 Ų | 81 | 48% | 0.483 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -71 | 157.3 | 171 | 88.8 | 0 | 0 | 0 | 0 | 110.1 | P145 N149 E150 | P145-S147 PolarHBondContact O-N 3.11Å; S147-N149 PolarHBondContact O-N 3.3Å; S147-E150 PolarHBondContact O-N 3.22Å |
| 148 | Q | 52.7 | Low | 57.3 | Low | 204 Ų | 204 | 84 Ų | 84 | 95% | 0.953 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -16.7 | -175.9 | -72.1 | -179.2 | -1.7 | 0 | 0 | 114.4 | ||
| 149 | N | 45.9 | Very low | 55.9 | Low | 151 Ų | 151 | 90.7 Ų | 90.7 | 81% | 0.807 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -8.9 | 180 | -67 | -10.8 | 0 | 0 | 0 | 114.2 | S147 | S147-N149 PolarHBondContact O-N 3.3Š|
| 150 | E | 50.6 | Low | 54.5 | Low | 91 Ų | 91 | 92.7 Ų | 92.7 | 43% | 0.425 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -98.1 | 112.7 | 178.8 | -65 | -174.8 | 152 | 0 | 0 | 110.2 | R119 L146 S147 | R119-E150 IonicContact NH2-OE2 3.8Å; R119-E150 PolarHBondContact NH2-OE2 3.33Å; L146-E150 HydrophobicContact CB-CB 4.48Å; L146-E150 HydrophobicContact CD2-CB 3.4Å; L146-E150 HydrophobicContact CD2-CG 4.45Å; S147-E150 PolarHBondContact O-N 3.22Å |
| 151 | T | 54.3 | Low | 52.8 | Low | 92 Ų | 92 | 95.5 Ų | 95.5 | 56% | 0.564 | 51% | 0.509 | S | S | * | . | trans | -75.6 | 145.2 | 177.2 | 51.7 | 0 | 0 | 0 | 0 | 110.9 | D153 A154 | T151-D153 PolarHBondContact O-N 3.42Å; T151-D153 VanDerWaalsContact O-N 3.08Å; T151-A154 WeakPolarHBondContact O-CA 3.42Å; T151-A154 VanDerWaalsContact O-CB 3.25Å; T151-A154 WeakPolarHBondContact O-CB 3.43Å; T151-A154 PolarHBondContact O-N 3.46Å | ||
| 152 | L | 54.2 | Low | 51 | Low | 67 Ų | 67 | 99.4 Ų | 99.4 | 35% | 0.351 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -55.7 | -28.5 | 176.4 | -166.6 | 74.6 | 0 | 0 | 0 | 112 | L146 A154 L155 L156 | L146-L152 HydrophobicContact CD1-CD1 4.13Å; L152-A154 VanDerWaalsContact C-N 3.34Å; L152-L155 PolarHBondContact O-N 2.82Å; L152-L156 HydrophobicContact CG-CD1 4.46Å; L152-L156 WeakPolarHBondContact O-CG 3.38Å; L152-L156 PolarHBondContact O-N 3.36Å |
| 153 | D | 55.9 | Low | 49.1 | Very low | 86 Ų | 86 | 100.9 Ų | 100.9 | 46% | 0.46 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.2 | -30 | 174 | -74.6 | -45.9 | 0 | 0 | 0 | 113.2 | R19 T151 L155 L156 N157 | R19-D153 IonicContact CZ-OD1 2.64Å; R19-D153 IonicContact NH1-OD1 3.3Å; R19-D153 PolarHBondContact NH1-OD1 2.57Å; R19-D153 IonicContact NH2-OD1 3.03Å; T151-D153 PolarHBondContact O-N 3.42Å; T151-D153 VanDerWaalsContact O-N 3.08Å; D153-L155 VanDerWaalsContact C-N 3.28Å; D153-L155 PolarHBondContact O-N 3.47Å; D153-L156 PolarHBondContact O-N 3.24Å; D153-N157 PolarHBondContact O-N 2.89Å |
| 154 | A | 55.2 | Low | 47.3 | Very low | 64 Ų | 64 | 105.6 Ų | 105.6 | 53% | 0.529 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.6 | -29 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | T151 L152 L156 | T151-A154 WeakPolarHBondContact O-CA 3.42Å; T151-A154 VanDerWaalsContact O-CB 3.25Å; T151-A154 WeakPolarHBondContact O-CB 3.43Å; T151-A154 PolarHBondContact O-N 3.46Å; L152-A154 VanDerWaalsContact C-N 3.34Å; A154-L156 VanDerWaalsContact C-N 3.34Å |
| 155 | L | 50.2 | Low | 45.3 | Very low | 40 Ų | 40 | 105.7 Ų | 105.7 | 21% | 0.209 | 59% | 0.593 | C | S | . | * | H | α-helix | trans | -75.9 | -23.9 | 174.1 | -153.4 | 94.2 | 0 | 0 | 0 | 112.5 | T120 L146 L152 D153 | T120-L155 WeakPolarHBondContact OG1-CD2 3.32Å; L146-L155 HydrophobicContact CD2-CD1 4.29Å; L152-L155 PolarHBondContact O-N 2.82Å; D153-L155 VanDerWaalsContact C-N 3.28Å; D153-L155 PolarHBondContact O-N 3.47Å |
| 156 | L | 55.8 | Low | 43.5 | Very low | 28 Ų | 28 | 110.6 Ų | 110.6 | 15% | 0.147 | 62% | 0.615 | C | S | . | * | H | α-helix | trans | -94.7 | -17.4 | -172.7 | -68.5 | 168.3 | 0 | 0 | 0 | 113.8 | L152 D153 A154 | L152-L156 HydrophobicContact CG-CD1 4.46Å; L152-L156 WeakPolarHBondContact O-CG 3.38Å; L152-L156 PolarHBondContact O-N 3.36Å; D153-L156 PolarHBondContact O-N 3.24Å; A154-L156 VanDerWaalsContact C-N 3.34Å |
| 157 | N | 47.1 | Very low | 41.9 | Very low | 108 Ų | 108 | 112.8 Ų | 112.8 | 58% | 0.578 | 65% | 0.646 | S | S | * | * | trans | -117.8 | 101.1 | -179.8 | -84 | -13.2 | 0 | 0 | 0 | 111.5 | D153 E159 | D153-N157 PolarHBondContact O-N 2.89Å; N157-E159 PolarHBondContact O-N 3.04Å; N157-E159 VanDerWaalsContact O-N 3.16Å | ||
| 158 | P | 43.1 | Very low | 40.6 | Very low | 104 Ų | 104 | 113.1 Ų | 113.1 | 68% | 0.675 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -69.7 | -8.1 | -179.3 | -5.7 | 16.1 | 0 | 0 | 0 | 115 | Y160 | P158-Y160 VanDerWaalsContact C-N 3.28Å; P158-Y160 PolarHBondContact O-N 3.17Å |
| 159 | E | 37 | Very low | 39.2 | Very low | 174 Ų | 174 | 111.1 Ų | 111.1 | 81% | 0.813 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -74.7 | -9.5 | -175.6 | -96.1 | -177.8 | 166 | 0 | 0 | 115.2 | N157 | N157-E159 PolarHBondContact O-N 3.04Å; N157-E159 VanDerWaalsContact O-N 3.16Å |
| 160 | Y | 33.6 | Very low | 38.3 | Very low | 210 Ų | 210 | 113.2 Ų | 113.2 | 82% | 0.824 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -88.6 | -1.7 | 178 | -96.8 | -84.7 | 0 | 0 | 0 | 115.4 | P158 | P158-Y160 VanDerWaalsContact C-N 3.28Å; P158-Y160 PolarHBondContact O-N 3.17Å |
| 161 | M | 27.8 | Very low | 37 | Very low | 182 Ų | 182 | 117.2 Ų | 117.2 | 90% | 0.897 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -100.9 | 10.8 | -179.8 | -83 | -151.4 | 79.5 | 0 | 0 | 115.5 | ||
| 162 | S | 29 | Very low | 35.8 | Very low | 101 Ų | 101 | 116.6 Ų | 116.6 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -96.7 | 10.6 | 180 | 67.4 | 0 | 0 | 0 | 0 | 116.1 | ||
| 163 | T | 27.4 | Very low | 34.4 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | trans | -123.2 | 59 | 176.8 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 164 | V | 30.3 | Very low | 32.9 | Very low | 148 Ų | 148 | 120.3 Ų | 120.3 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -141.8 | 107.5 | 151.7 | -175.3 | 0 | 0 | 0 | 0 | 106.9 | ||
| 165 | G | 25.7 | Very low | 31.4 | Very low | 73 Ų | 73 | 121.3 Ų | 121.3 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | trans | -78.5 | 156.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 166 | N | 24 | Very low | 30.2 | Very low | 181 Ų | 181 | 122.6 Ų | 122.6 | 97% | 0.968 | 78% | 0.779 | S | S | * | * | trans | -35.4 | 126.2 | 161.7 | -91.5 | 12.1 | 0 | 0 | 0 | 114.6 | ||||
| 167 | G | 26.6 | Very low | 28.7 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -159.8 | 102.8 | 143.1 | 0 | 0 | 0 | 0 | 0 | 104 | ||||
| 168 | G | 25.8 | Very low | 27.8 | Very low | 76 Ų | 76 | 129.8 Ų | 129.8 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | 105.1 | 108.1 | 67.7 | 0 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 169 | D | 23.7 | Very low | 27 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | trans | -46.6 | 142.3 | -175.1 | -54.3 | -61.6 | 0 | 0 | 0 | 113.9 | ||||
| 170 | E | 26.7 | Very low | 26.6 | Very low | 195 Ų | 195 | 127.7 Ų | 127.7 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | -167.5 | 126.3 | 128.7 | -105.4 | 173.7 | -162.2 | 0 | 0 | 111.2 | |||||
| 171 | D | 24.1 | Very low | 26.3 | Very low | 175 Ų | 175 | 123.7 Ų | 123.7 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | trans | -58 | 135.5 | 175.1 | -75.8 | -51.3 | 0 | 0 | 0 | 112.5 | ||||
| 172 | G | 27.8 | Very low | 26.3 | Very low | 78 Ų | 78 | 122 Ų | 122 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -162 | 79.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 173 | V | 25.4 | Very low | 26.2 | Very low | 158 Ų | 158 | 125.6 Ų | 125.6 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | trans | -55.6 | 135.6 | 169.2 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 174 | G | 24.5 | Very low | 26.2 | Very low | 73 Ų | 73 | 127.2 Ų | 127.2 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | 150.7 | 94.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 175 | G | 24.4 | Very low | 26.1 | Very low | 85 Ų | 85 | 129.9 Ų | 129.9 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | trans | -80.9 | -172.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 176 | G | 24.6 | Very low | 26.3 | Very low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | trans | 109.5 | 92.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 177 | D | 25 | Very low | 26.5 | Very low | 162 Ų | 162 | 131 Ų | 131 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | 39.2 | 106.9 | 126.4 | -56.3 | -19.2 | 0 | 0 | 0 | 118 | |||||
| 178 | D | 27.4 | Very low | 26.8 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 67% | 0.668 | 80% | 0.795 | S | S | * | * | -166.5 | 122.5 | 115.2 | -134.4 | 4.2 | 0 | 0 | 0 | 111.4 | |||||
| 179 | K | 26.2 | Very low | 27.1 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 68% | 0.683 | 80% | 0.8 | S | S | * | * | trans | 65.8 | 123.8 | 135.9 | -81.1 | 178.3 | -158.9 | 109.4 | 0 | 124 | ||||
| 180 | S | 27.7 | Very low | 27.5 | Very low | 77 Ų | 77 | 133.6 Ų | 133.6 | 54% | 0.538 | 79% | 0.789 | S | S | . | * | trans | 66.2 | 95.4 | 130.2 | 64.8 | 0 | 0 | 0 | 0 | 118.7 | D182 | S180-D182 PolarHBondContact O-N 3.25Š| ||
| 181 | V | 27.5 | Very low | 28.2 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | -5.9 | 114.7 | 124.3 | -177 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 182 | D | 28.1 | Very low | 28.8 | Very low | 145 Ų | 145 | 128.3 Ų | 128.3 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | trans | -138.4 | 136.6 | 139.9 | -138.3 | -5.9 | 0 | 0 | 0 | 111 | S180 | S180-D182 PolarHBondContact O-N 3.25Š| ||
| 183 | K | 27.5 | Very low | 29.4 | Very low | 177 Ų | 177 | 130.9 Ų | 130.9 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -77.7 | 163.4 | -178.5 | -80.4 | 173.2 | 172.4 | 172.3 | 0 | 110 | ||||
| 184 | D | 27.7 | Very low | 29.9 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 77.6 | 61.2 | 172.6 | -66.6 | -6.3 | 0 | 0 | 0 | 116.7 | ||||
| 185 | K | 27.1 | Very low | 30.5 | Very low | 203 Ų | 203 | 132.3 Ų | 132.3 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | -118.4 | 93.4 | 138.4 | -82.1 | -177.1 | 179.5 | 168.6 | 0 | 109.3 | D187 | K185-D187 PolarHBondContact O-N 2.93Š| ||
| 186 | T | 30 | Very low | 31.3 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | trans | -38.6 | 133 | 153.4 | 34.9 | 0 | 0 | 0 | 0 | 110 | V188 | T186-V188 VanDerWaalsContact C-N 3.33Å; T186-V188 PolarHBondContact O-N 3.47Å | ||
| 187 | D | 29.7 | Very low | 32.2 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -49.3 | 88.3 | 178 | -93.1 | -44.1 | 0 | 0 | 0 | 112.1 | K185 N189 | K185-D187 PolarHBondContact O-N 2.93Å; D187-N189 PolarHBondContact O-N 2.82Å | ||
| 188 | V | 32.5 | Very low | 33.2 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | -91.3 | 69 | 164.8 | -173.4 | 0 | 0 | 0 | 0 | 107.1 | T186 | T186-V188 VanDerWaalsContact C-N 3.33Å; T186-V188 PolarHBondContact O-N 3.47Å | ||
| 189 | N | 32 | Very low | 34.2 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | trans | -155.7 | 36.3 | 158.3 | -92.1 | -29.1 | 0 | 0 | 0 | 111.2 | D187 | D187-N189 PolarHBondContact O-N 2.82Š| ||
| 190 | A | 32.5 | Very low | 36.1 | Very low | 78 Ų | 78 | 137.1 Ų | 137.1 | 65% | 0.645 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -101.8 | 138.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 191 | P | 40 | Very low | 38.1 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 138.3 | -168.5 | 28.8 | -33.4 | 0 | 0 | 0 | 113 | ||
| 192 | V | 36.8 | Very low | 40.2 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 139.3 | -178.2 | 178 | 0 | 0 | 0 | 0 | 112.4 | ||
| 193 | T | 40.4 | Very low | 42.2 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -125.4 | 118.6 | 165.5 | 49.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 194 | D | 37.2 | Very low | 44.3 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 88% | 0.882 | 73% | 0.734 | S | S | * | * | trans | -67.7 | 129.1 | 179.4 | -74.8 | -39.4 | 0 | 0 | 0 | 111.6 | ||||
| 195 | S | 36.3 | Very low | 46.5 | Very low | 97 Ų | 97 | 135 Ų | 135 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | trans | -124 | 124.2 | 174.6 | 60.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 196 | Y | 40.6 | Very low | 48.6 | Very low | 216 Ų | 216 | 129.6 Ų | 129.6 | 85% | 0.847 | 70% | 0.698 | S | S | * | * | trans | -68.8 | 142.6 | -178.7 | -173.2 | -99.1 | 0 | 0 | 0 | 112.1 | ||||
| 197 | H | 43.5 | Very low | 50.5 | Low | 165 Ų | 165 | 128.5 Ų | 128.5 | 76% | 0.764 | 69% | 0.687 | S | S | * | * | trans | -118.5 | 120.4 | -179.2 | -69.8 | -1.1 | 0 | 0 | 0 | 111.5 | ||||
| 198 | S | 45.8 | Very low | 52.5 | Low | 100 Ų | 100 | 127.4 Ų | 127.4 | 70% | 0.699 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 145.9 | -177.6 | -45.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 199 | L | 48.6 | Very low | 54.3 | Low | 134 Ų | 134 | 127 Ų | 127 | 70% | 0.702 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 143 | 178.3 | -107.2 | 81.3 | 0 | 0 | 0 | 113 | E203 | L199-E203 HydrophobicContact CD2-CB 4.16Š|
| 200 | T | 66.2 | Low | 55.9 | Low | 81 Ų | 81 | 122.3 Ų | 122.3 | 50% | 0.497 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -85.3 | 147.2 | -177.5 | 54.4 | 0 | 0 | 0 | 0 | 111.9 | R202 E203 E204 | T200-R202 PolarHBondContact O-N 3.44Å; T200-E203 PolarHBondContact N-OE2 3.47Å; T200-E203 WeakPolarHBondContact O-CB 3.14Å; T200-E203 PolarHBondContact O-N 2.99Å; T200-E203 VanDerWaalsContact OG1-CD 3.25Å; T200-E203 WeakPolarHBondContact OG1-CG 3.41Å; T200-E203 PolarHBondContact OG1-OE2 3.1Å; T200-E204 PolarHBondContact O-N 3.42Å |
| 201 | K | 70.2 | Confident | 57.5 | Low | 171 Ų | 171 | 123.4 Ų | 123.4 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -49 | -33.6 | 177.4 | -105.6 | -178.8 | 174.7 | -178.9 | 0 | 113.9 | E204 D205 | K201-E204 PolarHBondContact O-N 3.33Å; K201-D205 PolarHBondContact O-N 3.21Å |
| 202 | R | 72 | Confident | 58.8 | Low | 192 Ų | 192 | 123 Ų | 123 | 73% | 0.725 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.7 | -41.9 | 179.1 | -167.5 | 176.7 | -173.6 | 156.8 | 2.4 | 112 | T200 E204 D205 D206 | T200-R202 PolarHBondContact O-N 3.44Å; R202-E204 VanDerWaalsContact C-N 3.32Å; R202-D205 PolarHBondContact O-N 3.44Å; R202-D206 WeakPolarHBondContact O-CB 3.35Å; R202-D206 VanDerWaalsContact O-CG 3.29Å; R202-D206 PolarHBondContact O-N 3.44Å |
| 203 | E | 69.6 | Low | 60.2 | Low | 91 Ų | 91 | 123.9 Ų | 123.9 | 43% | 0.425 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.5 | -35.4 | 177.4 | -65 | 163.8 | 137.3 | 0 | 0 | 111.2 | L199 T200 I207 | L199-E203 HydrophobicContact CD2-CB 4.16Å; T200-E203 PolarHBondContact N-OE2 3.47Å; T200-E203 WeakPolarHBondContact O-CB 3.14Å; T200-E203 PolarHBondContact O-N 2.99Å; T200-E203 VanDerWaalsContact OG1-CD 3.25Å; T200-E203 WeakPolarHBondContact OG1-CG 3.41Å; T200-E203 PolarHBondContact OG1-OE2 3.1Å; E203-I207 WeakPolarHBondContact O-CD1 3.5Å; E203-I207 WeakPolarHBondContact O-CG1 3.41Å; E203-I207 PolarHBondContact O-N 3.48Å; E203-I207 VanDerWaalsContact O-N 3.17Å |
| 204 | E | 71.9 | Confident | 61.2 | Low | 93 Ų | 93 | 119.3 Ų | 119.3 | 44% | 0.435 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.8 | -43 | 174 | -169.3 | -175.4 | 172.6 | 0 | 0 | 112.1 | T200 K201 R202 I207 R208 | T200-E204 PolarHBondContact O-N 3.42Å; K201-E204 PolarHBondContact O-N 3.33Å; R202-E204 VanDerWaalsContact C-N 3.32Å; E204-I207 PolarHBondContact O-N 3Å; E204-R208 WeakPolarHBondContact O-CG 3.44Å; E204-R208 PolarHBondContact O-N 2.71Å; E204-R208 VanDerWaalsContact O-N 3.11Å; E204-R208 IonicContact OE1-CZ 2.66Å; E204-R208 IonicContact OE1-NE 2.71Å; E204-R208 IonicContact OE1-NH2 2.88Å; E204-R208 PolarHBondContact OE1-NH2 3.24Å |
| 205 | D | 73.6 | Confident | 62.2 | Low | 88 Ų | 88 | 116.9 Ų | 116.9 | 47% | 0.471 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.2 | -41.3 | 179.8 | -71.6 | -27 | 0 | 0 | 0 | 111.9 | K201 R202 I207 R208 Q209 | K201-D205 PolarHBondContact O-N 3.21Å; R202-D205 PolarHBondContact O-N 3.44Å; D205-I207 VanDerWaalsContact C-N 3.35Å; D205-I207 PolarHBondContact O-N 2.81Å; D205-R208 PolarHBondContact O-N 2.87Å; D205-Q209 PolarHBondContact O-N 3.34Å |
| 206 | D | 71.1 | Confident | 63 | Low | 90 Ų | 90 | 120.2 Ų | 120.2 | 48% | 0.481 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.3 | -38.6 | 177.2 | -71.1 | -18.6 | 0 | 0 | 0 | 111.4 | R202 Q209 F210 | R202-D206 WeakPolarHBondContact O-CB 3.35Å; R202-D206 VanDerWaalsContact O-CG 3.29Å; R202-D206 PolarHBondContact O-N 3.44Å; D206-Q209 PolarHBondContact O-N 3.09Å; D206-F210 WeakPolarHBondContact O-CB 3.43Å; D206-F210 PolarHBondContact O-N 2.85Å |
| 207 | I | 69 | Low | 63.5 | Low | 96 Ų | 96 | 119.1 Ų | 119.1 | 49% | 0.492 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.3 | -38.9 | 174.6 | -69.4 | 166.9 | 0 | 0 | 0 | 111.1 | E203 E204 D205 F210 L211 | E203-I207 WeakPolarHBondContact O-CD1 3.5Å; E203-I207 WeakPolarHBondContact O-CG1 3.41Å; E203-I207 PolarHBondContact O-N 3.48Å; E203-I207 VanDerWaalsContact O-N 3.17Å; E204-I207 PolarHBondContact O-N 3Å; D205-I207 VanDerWaalsContact C-N 3.35Å; D205-I207 PolarHBondContact O-N 2.81Å; I207-F210 PolarHBondContact O-N 2.92Å; I207-L211 HydrophobicContact CG2-CD1 4.18Å; I207-L211 WeakPolarHBondContact O-CG 3.23Å; I207-L211 PolarHBondContact O-N 3.42Å; I207-L211 VanDerWaalsContact O-N 3.08Å |
| 208 | R | 72.4 | Confident | 63.9 | Low | 136 Ų | 136 | 116.3 Ų | 116.3 | 51% | 0.513 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.6 | -45.8 | 176.6 | -76.8 | 179.1 | -177.7 | 173.9 | 4.3 | 111.8 | E204 D205 F210 L211 D212 | E204-R208 WeakPolarHBondContact O-CG 3.44Å; E204-R208 PolarHBondContact O-N 2.71Å; E204-R208 VanDerWaalsContact O-N 3.11Å; E204-R208 IonicContact OE1-CZ 2.66Å; E204-R208 IonicContact OE1-NE 2.71Å; E204-R208 IonicContact OE1-NH2 2.88Å; E204-R208 PolarHBondContact OE1-NH2 3.24Å; D205-R208 PolarHBondContact O-N 2.87Å; R208-F210 VanDerWaalsContact C-N 3.26Å; R208-F210 PolarHBondContact O-N 3.5Å; R208-L211 PolarHBondContact O-N 3.25Å; R208-L211 VanDerWaalsContact O-N 3.11Å; R208-D212 PolarHBondContact O-N 2.85Å |
| 209 | Q | 71.4 | Confident | 64.1 | Low | 117 Ų | 117 | 113.7 Ų | 113.7 | 55% | 0.547 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.7 | -38.7 | 178 | -173.2 | 174 | -0.4 | 0 | 0 | 111.8 | D205 D206 D212 E213 | D205-Q209 PolarHBondContact O-N 3.34Å; D206-Q209 PolarHBondContact O-N 3.09Å; Q209-D212 PolarHBondContact O-N 2.66Å; Q209-E213 PolarHBondContact O-N 2.99Å |
| 210 | F | 65.2 | Low | 64.3 | Low | 67 Ų | 67 | 113.9 Ų | 113.9 | 29% | 0.294 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65 | -37.8 | 175 | 179.1 | -100.2 | 0 | 0 | 0 | 113 | D206 I207 R208 L214 L230 | D206-F210 WeakPolarHBondContact O-CB 3.43Å; D206-F210 PolarHBondContact O-N 2.85Å; I207-F210 PolarHBondContact O-N 2.92Å; R208-F210 VanDerWaalsContact C-N 3.26Å; R208-F210 PolarHBondContact O-N 3.5Å; F210-L214 HydrophobicContact CD1-CD1 4.01Å; F210-L214 HydrophobicContact CE1-CD1 3.55Å; F210-L214 HydrophobicContact CZ-CD1 3.91Å; F210-L214 WeakPolarHBondContact O-CD1 3.49Å; F210-L214 WeakPolarHBondContact O-CG 3.18Å; F210-L230 HydrophobicContact CE1-CD2 3.7Å; F210-L230 HydrophobicContact CZ-CD2 3.58Å; F210-L230 HydrophobicContact CZ-CG 4.41Å |
| 211 | L | 65.5 | Low | 63.7 | Low | 102 Ų | 102 | 117.7 Ų | 117.7 | 53% | 0.534 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.1 | -36.8 | 175.5 | -72.2 | 170.3 | 0 | 0 | 0 | 112.2 | I207 R208 L214 | I207-L211 HydrophobicContact CG2-CD1 4.18Å; I207-L211 WeakPolarHBondContact O-CG 3.23Å; I207-L211 PolarHBondContact O-N 3.42Å; I207-L211 VanDerWaalsContact O-N 3.08Å; R208-L211 PolarHBondContact O-N 3.25Å; R208-L211 VanDerWaalsContact O-N 3.11Å; L211-L214 WeakPolarHBondContact O-CB 3.47Å; L211-L214 PolarHBondContact O-N 2.95Å |
| 212 | D | 67.8 | Low | 63.1 | Low | 120 Ų | 120 | 114.1 Ų | 114.1 | 64% | 0.642 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.5 | -36.3 | 177.7 | -71.8 | -16.8 | 0 | 0 | 0 | 112.1 | R208 Q209 L214 D215 | R208-D212 PolarHBondContact O-N 2.85Å; Q209-D212 PolarHBondContact O-N 2.66Å; D212-L214 PolarHBondContact O-N 2.95Å; D212-D215 PolarHBondContact O-N 3.45Å |
| 213 | E | 65.6 | Low | 62.6 | Low | 149 Ų | 149 | 108.6 Ų | 108.6 | 70% | 0.696 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66 | -19.1 | 174 | -84.7 | -174.5 | 175.4 | 0 | 0 | 113.4 | Q209 | Q209-E213 PolarHBondContact O-N 2.99Å |
| 214 | L | 61.8 | Low | 62.6 | Low | 35 Ų | 35 | 107.6 Ų | 107.6 | 18% | 0.183 | 57% | 0.566 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -85.5 | -8.5 | 178.1 | -73.4 | 165.5 | 0 | 0 | 0 | 113.7 | F210 L211 D212 E216 T219 L226 | F210-L214 HydrophobicContact CD1-CD1 4.01Å; F210-L214 HydrophobicContact CE1-CD1 3.55Å; F210-L214 HydrophobicContact CZ-CD1 3.91Å; F210-L214 WeakPolarHBondContact O-CD1 3.49Å; F210-L214 WeakPolarHBondContact O-CG 3.18Å; L211-L214 WeakPolarHBondContact O-CB 3.47Å; L211-L214 PolarHBondContact O-N 2.95Å; D212-L214 PolarHBondContact O-N 2.95Å; L214-E216 PolarHBondContact O-N 2.75Å; L214-T219 PolarHBondContact O-OG1 3.49Å; L214-L226 HydrophobicContact CD1-CD1 3.7Å; L214-L226 HydrophobicContact CD2-CD1 3.44Å; L214-L226 VanDerWaalsContact CD2-CD1 3.44Å; L214-L226 HydrophobicContact CG-CD1 4.15Å |
| 215 | D | 57.1 | Low | 62.2 | Low | 114 Ų | 114 | 108.8 Ų | 108.8 | 61% | 0.61 | 57% | 0.571 | S | S | * | * | trans | -88.2 | 10.9 | -171.4 | -119.3 | 6 | 0 | 0 | 0 | 114.7 | D212 E217 | D212-D215 PolarHBondContact O-N 3.45Å; D215-E217 PolarHBondContact O-N 2.91Å | ||
| 216 | E | 53.8 | Low | 61.7 | Low | 168 Ų | 168 | 107.9 Ų | 107.9 | 79% | 0.785 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -74.3 | 87.9 | 167.9 | -82.5 | -164.2 | 163.7 | 0 | 0 | 111.6 | L214 S218 | L214-E216 PolarHBondContact O-N 2.75Å; E216-S218 PolarHBondContact O-N 3.45Å |
| 217 | E | 52.2 | Low | 61.6 | Low | 193 Ų | 193 | 107.5 Ų | 107.5 | 90% | 0.902 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 15.4 | -7.4 | 163.9 | -135.8 | 173.5 | -173.5 | 0 | 0 | 122.8 | D215 | D215-E217 PolarHBondContact O-N 2.91Š|
| 218 | S | 50.2 | Low | 61.8 | Low | 106 Ų | 106 | 109.3 Ų | 109.3 | 74% | 0.741 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | -8.9 | 179.8 | 67.2 | 0 | 0 | 0 | 0 | 114.9 | E216 | E216-S218 PolarHBondContact O-N 3.45Š|
| 219 | T | 51.2 | Low | 61.7 | Low | 45 Ų | 45 | 110.6 Ų | 110.6 | 28% | 0.276 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -96.2 | -12.3 | -179.4 | 45.5 | 0 | 0 | 0 | 0 | 114.4 | L214 L221 | L214-T219 PolarHBondContact O-OG1 3.49Å; T219-L221 VanDerWaalsContact C-N 3.28Å; T219-L221 PolarHBondContact O-N 3.06Å |
| 220 | L | 51.9 | Low | 61.6 | Low | 137 Ų | 137 | 108.7 Ų | 108.7 | 72% | 0.717 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -9 | -179.8 | -112.2 | 155.3 | 0 | 0 | 0 | 114.7 | ||
| 221 | L | 53.7 | Low | 62.1 | Low | 162 Ų | 162 | 112.1 Ų | 112.1 | 85% | 0.848 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 7.3 | 177.9 | -93.3 | 100.7 | 0 | 0 | 0 | 116 | T219 | T219-L221 VanDerWaalsContact C-N 3.28Å; T219-L221 PolarHBondContact O-N 3.06Å |
| 222 | N | 58.3 | Low | 62.6 | Low | 95 Ų | 95 | 114.1 Ų | 114.1 | 51% | 0.508 | 60% | 0.595 | S | S | . | * | trans | -144.8 | 84.8 | 173.7 | -114.3 | -19.2 | 0 | 0 | 0 | 112.7 | A224 Q225 | N222-A224 PolarHBondContact O-N 3.25Å; N222-Q225 HydrophobicContact CB-CB 4.5Å; N222-Q225 PolarHBondContact O-N 3.1Å | ||
| 223 | A | 62.3 | Low | 62.6 | Low | 77 Ų | 77 | 113 Ų | 113 | 64% | 0.636 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -51.4 | -31.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q225 L226 T227 | A223-Q225 PolarHBondContact O-N 3.18Å; A223-L226 WeakPolarHBondContact O-CB 3.38Å; A223-L226 PolarHBondContact O-N 3.05Å; A223-T227 PolarHBondContact O-N 3.46Å; A223-T227 VanDerWaalsContact O-N 3.11Å; A223-T227 PolarHBondContact O-OG1 3.39Å |
| 224 | A | 67.7 | Low | 62.9 | Low | 69 Ų | 69 | 110.9 Ų | 110.9 | 57% | 0.57 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.6 | -37.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N222 L226 T227 E228 | N222-A224 PolarHBondContact O-N 3.25Å; A224-L226 VanDerWaalsContact C-N 3.33Å; A224-T227 PolarHBondContact O-N 3.27Å; A224-E228 PolarHBondContact O-N 3.03Å; A224-E228 VanDerWaalsContact O-N 3.12Å |
| 225 | Q | 64.6 | Low | 63.6 | Low | 118 Ų | 118 | 112 Ų | 112 | 55% | 0.551 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70 | -32 | 176.7 | -85.5 | -179.9 | -22.2 | 0 | 0 | 111.9 | N222 A223 R229 | N222-Q225 HydrophobicContact CB-CB 4.5Å; N222-Q225 PolarHBondContact O-N 3.1Å; A223-Q225 PolarHBondContact O-N 3.18Å; Q225-R229 WeakPolarHBondContact O-CB 3.38Å; Q225-R229 PolarHBondContact O-N 3.26Å |
| 226 | L | 62.8 | Low | 64.4 | Low | 69 Ų | 69 | 113.1 Ų | 113.1 | 36% | 0.361 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -66.7 | -46 | 173.7 | -175.5 | 76.8 | 0 | 0 | 0 | 111.2 | L214 A223 A224 E228 R229 L230 | L214-L226 HydrophobicContact CD1-CD1 3.7Å; L214-L226 HydrophobicContact CD2-CD1 3.44Å; L214-L226 VanDerWaalsContact CD2-CD1 3.44Å; L214-L226 HydrophobicContact CG-CD1 4.15Å; A223-L226 WeakPolarHBondContact O-CB 3.38Å; A223-L226 PolarHBondContact O-N 3.05Å; A224-L226 VanDerWaalsContact C-N 3.33Å; L226-E228 VanDerWaalsContact C-N 3.33Å; L226-E228 PolarHBondContact O-N 3.11Å; L226-R229 PolarHBondContact O-N 2.96Å; L226-L230 HydrophobicContact CG-CD1 4.18Å; L226-L230 PolarHBondContact O-N 3.45Å |
| 227 | T | 69.8 | Low | 65.3 | Low | 83 Ų | 83 | 109.7 Ų | 109.7 | 51% | 0.509 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.8 | -41.1 | 179.9 | -19.1 | 0 | 0 | 0 | 0 | 111.6 | A223 A224 L230 Q231 | A223-T227 PolarHBondContact O-N 3.46Å; A223-T227 VanDerWaalsContact O-N 3.11Å; A223-T227 PolarHBondContact O-OG1 3.39Å; A224-T227 PolarHBondContact O-N 3.27Å; T227-L230 PolarHBondContact O-N 2.9Å; T227-Q231 WeakPolarHBondContact O-CB 3.47Å; T227-Q231 PolarHBondContact O-N 2.94Å |
| 228 | E | 73.4 | Confident | 66 | Low | 134 Ų | 134 | 106.1 Ų | 106.1 | 63% | 0.626 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.8 | -43.3 | 177.4 | -170.8 | 172.8 | -159.3 | 0 | 0 | 111.5 | A224 L226 L230 Q231 E232 | A224-E228 PolarHBondContact O-N 3.03Å; A224-E228 VanDerWaalsContact O-N 3.12Å; L226-E228 VanDerWaalsContact C-N 3.33Å; L226-E228 PolarHBondContact O-N 3.11Å; E228-L230 PolarHBondContact O-N 3.12Å; E228-Q231 PolarHBondContact O-N 3.33Å; E228-E232 PolarHBondContact O-N 2.91Å |
| 229 | R | 69.2 | Low | 67.1 | Low | 163 Ų | 163 | 103 Ų | 103 | 62% | 0.615 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.4 | -38.3 | 177.6 | -142.7 | 177.7 | -166.5 | 149.6 | -0.7 | 112.8 | Q225 L226 Q233 | Q225-R229 WeakPolarHBondContact O-CB 3.38Å; Q225-R229 PolarHBondContact O-N 3.26Å; L226-R229 PolarHBondContact O-N 2.96Å; R229-Q233 PolarHBondContact O-N 2.86Å |
| 230 | L | 70.1 | Confident | 67.9 | Low | 77 Ų | 77 | 104 Ų | 104 | 40% | 0.403 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64 | -40.7 | 172.8 | -82.9 | 167.4 | 0 | 0 | 0 | 111.6 | F210 L226 T227 E228 Q233 L234 | F210-L230 HydrophobicContact CE1-CD2 3.7Å; F210-L230 HydrophobicContact CZ-CD2 3.58Å; F210-L230 HydrophobicContact CZ-CG 4.41Å; L226-L230 HydrophobicContact CG-CD1 4.18Å; L226-L230 PolarHBondContact O-N 3.45Å; T227-L230 PolarHBondContact O-N 2.9Å; E228-L230 PolarHBondContact O-N 3.12Å; L230-Q233 PolarHBondContact O-N 3.2Å; L230-L234 WeakPolarHBondContact O-CB 3.25Å; L230-L234 PolarHBondContact O-N 3.23Å |
| 231 | Q | 74.8 | Confident | 68.5 | Low | 139 Ų | 139 | 101.9 Ų | 101.9 | 65% | 0.65 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.2 | -38.4 | 179.7 | -135 | 166.2 | -9.4 | 0 | 0 | 111.9 | T227 E228 L234 A235 | T227-Q231 WeakPolarHBondContact O-CB 3.47Å; T227-Q231 PolarHBondContact O-N 2.94Å; E228-Q231 PolarHBondContact O-N 3.33Å; Q231-L234 PolarHBondContact O-N 3.49Å; Q231-A235 WeakPolarHBondContact O-CB 3.32Å; Q231-A235 PolarHBondContact O-N 3.32Å |
| 232 | E | 76 | Confident | 68.7 | Low | 143 Ų | 143 | 98.3 Ų | 98.3 | 67% | 0.668 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.3 | -40.8 | 176.2 | -156.7 | 174.5 | -153.4 | 0 | 0 | 111.7 | E228 A235 H236 | E228-E232 PolarHBondContact O-N 2.91Å; E232-A235 PolarHBondContact O-N 2.95Å; E232-H236 PolarHBondContact O-N 2.94Å |
| 233 | Q | 68.7 | Low | 68.8 | Low | 98 Ų | 98 | 100.4 Ų | 100.4 | 46% | 0.458 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.2 | -37.2 | 173.4 | -75.7 | -149 | -12.2 | 0 | 0 | 113.2 | R229 L230 A235 H236 I237 | R229-Q233 PolarHBondContact O-N 2.86Å; L230-Q233 PolarHBondContact O-N 3.2Å; Q233-A235 VanDerWaalsContact C-N 3.32Å; Q233-A235 PolarHBondContact O-N 2.84Å; Q233-H236 PolarHBondContact O-N 3.43Å; Q233-I237 WeakPolarHBondContact O-CG1 3.3Å; Q233-I237 PolarHBondContact O-N 2.93Å |
| 234 | L | 71.9 | Confident | 69 | Low | 103 Ų | 103 | 100.3 Ų | 100.3 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 174.7 | -158.9 | 102.1 | 0 | 0 | 0 | 110.4 | L230 Q231 H236 I237 E238 | L230-L234 WeakPolarHBondContact O-CB 3.25Å; L230-L234 PolarHBondContact O-N 3.23Å; Q231-L234 PolarHBondContact O-N 3.49Å; L234-H236 VanDerWaalsContact C-N 3.31Å; L234-H236 PolarHBondContact O-N 3.4Å; L234-I237 PolarHBondContact O-N 3.45Å; L234-E238 WeakPolarHBondContact O-CB 3.34Å; L234-E238 WeakPolarHBondContact O-CG 3.35Å; L234-E238 PolarHBondContact O-N 3.21Å |
| 235 | A | 76 | Confident | 68.7 | Low | 60 Ų | 60 | 102.7 Ų | 102.7 | 50% | 0.496 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -36.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q231 E232 Q233 G239 | Q231-A235 WeakPolarHBondContact O-CB 3.32Å; Q231-A235 PolarHBondContact O-N 3.32Å; E232-A235 PolarHBondContact O-N 2.95Å; Q233-A235 VanDerWaalsContact C-N 3.32Å; Q233-A235 PolarHBondContact O-N 2.84Å; A235-G239 PolarHBondContact O-N 3.01Å |
| 236 | H | 74.6 | Confident | 68.5 | Low | 137 Ų | 137 | 103 Ų | 103 | 63% | 0.634 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68 | -44.4 | 175.1 | -171.8 | 43.1 | 0 | 0 | 0 | 112.2 | E232 Q233 L234 G239 T240 | E232-H236 PolarHBondContact O-N 2.94Å; Q233-H236 PolarHBondContact O-N 3.43Å; L234-H236 VanDerWaalsContact C-N 3.31Å; L234-H236 PolarHBondContact O-N 3.4Å; H236-G239 PolarHBondContact O-N 3.45Å; H236-T240 PolarHBondContact O-N 3.09Å; H236-T240 PolarHBondContact O-OG1 2.93Å |
| 237 | I | 71.4 | Confident | 68.4 | Low | 95 Ų | 95 | 103.6 Ų | 103.6 | 49% | 0.487 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 177.7 | -68.2 | 169.1 | 0 | 0 | 0 | 110.8 | Q233 L234 G239 T240 N241 | Q233-I237 WeakPolarHBondContact O-CG1 3.3Å; Q233-I237 PolarHBondContact O-N 2.93Å; L234-I237 PolarHBondContact O-N 3.45Å; I237-G239 VanDerWaalsContact C-N 3.33Å; I237-G239 PolarHBondContact O-N 3.16Å; I237-T240 PolarHBondContact O-N 3.41Å; I237-T240 VanDerWaalsContact O-N 3.15Å; I237-N241 PolarHBondContact O-N 3.26Å |
| 238 | E | 67.9 | Low | 68.1 | Low | 118 Ų | 118 | 102 Ų | 102 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.5 | -43 | 173.7 | -75.3 | -177.8 | 166.5 | 0 | 0 | 111.3 | L234 T240 N241 V242 | L234-E238 WeakPolarHBondContact O-CB 3.34Å; L234-E238 WeakPolarHBondContact O-CG 3.35Å; L234-E238 PolarHBondContact O-N 3.21Å; E238-T240 VanDerWaalsContact C-N 3.32Å; E238-T240 PolarHBondContact O-N 3.35Å; E238-N241 PolarHBondContact O-N 3.12Å; E238-V242 WeakPolarHBondContact O-CG2 3.37Å; E238-V242 PolarHBondContact O-N 3.32Å; E238-V242 VanDerWaalsContact O-N 3.12Å |
| 239 | G | 73.1 | Confident | 67.9 | Low | 40 Ų | 40 | 101.9 Ų | 101.9 | 41% | 0.412 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.7 | -35.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A235 H236 I237 H243 | A235-G239 PolarHBondContact O-N 3.01Å; H236-G239 PolarHBondContact O-N 3.45Å; I237-G239 VanDerWaalsContact C-N 3.33Å; I237-G239 PolarHBondContact O-N 3.16Å; G239-H243 PolarHBondContact O-N 2.86Å |
| 240 | T | 67.7 | Low | 68 | Low | 66 Ų | 66 | 98.3 Ų | 98.3 | 41% | 0.405 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -72.8 | -40.6 | 179.1 | -43.5 | 0 | 0 | 0 | 0 | 111.3 | H236 I237 E238 V242 H243 S244 | H236-T240 PolarHBondContact O-N 3.09Å; H236-T240 PolarHBondContact O-OG1 2.93Å; I237-T240 PolarHBondContact O-N 3.41Å; I237-T240 VanDerWaalsContact O-N 3.15Å; E238-T240 VanDerWaalsContact C-N 3.32Å; E238-T240 PolarHBondContact O-N 3.35Å; T240-V242 PolarHBondContact O-N 3.08Å; T240-H243 PolarHBondContact O-N 2.89Å; T240-S244 PolarHBondContact O-N 3.35Å |
| 241 | N | 63.8 | Low | 68.1 | Low | 94 Ų | 94 | 101.3 Ų | 101.3 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 176.1 | -82.6 | -9.6 | 0 | 0 | 0 | 112.4 | I237 E238 H243 S244 I245 | I237-N241 PolarHBondContact O-N 3.26Å; E238-N241 PolarHBondContact O-N 3.12Å; N241-H243 VanDerWaalsContact C-N 3.27Å; N241-H243 PolarHBondContact O-N 2.9Å; N241-S244 PolarHBondContact O-N 3.39Å; N241-I245 WeakPolarHBondContact O-CG1 3.49Å; N241-I245 PolarHBondContact O-N 3.28Å |
| 242 | V | 57.9 | Low | 68 | Low | 86 Ų | 86 | 98.5 Ų | 98.5 | 52% | 0.521 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 174.4 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | E238 T240 I245 M246 | E238-V242 WeakPolarHBondContact O-CG2 3.37Å; E238-V242 PolarHBondContact O-N 3.32Å; E238-V242 VanDerWaalsContact O-N 3.12Å; T240-V242 PolarHBondContact O-N 3.08Å; V242-I245 PolarHBondContact O-N 3.48Å; V242-M246 HydrophobicContact CG1-SD 4.35Å; V242-M246 WeakPolarHBondContact O-CG 3.37Å; V242-M246 PolarHBondContact O-N 3.5Å |
| 243 | H | 61.4 | Low | 68.1 | Low | 140 Ų | 140 | 96.8 Ų | 96.8 | 65% | 0.648 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.3 | -37.1 | 177.8 | -111.4 | -42.6 | 0 | 0 | 0 | 113.6 | G239 T240 N241 S247 | G239-H243 PolarHBondContact O-N 2.86Å; T240-H243 PolarHBondContact O-N 2.89Å; N241-H243 VanDerWaalsContact C-N 3.27Å; N241-H243 PolarHBondContact O-N 2.9Å; H243-S247 PolarHBondContact O-N 2.86Å |
| 244 | S | 65.6 | Low | 68.6 | Low | 75 Ų | 75 | 95.5 Ų | 95.5 | 52% | 0.524 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.8 | -39 | 173.8 | -73.1 | 0 | 0 | 0 | 0 | 112.8 | T240 N241 S247 S248 | T240-S244 PolarHBondContact O-N 3.35Å; N241-S244 PolarHBondContact O-N 3.39Å; S244-S247 PolarHBondContact O-N 2.9Å; S244-S248 PolarHBondContact O-N 3.46Å |
| 245 | I | 61.2 | Low | 69 | Low | 118 Ų | 118 | 95.8 Ų | 95.8 | 61% | 0.605 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.6 | -46.5 | 175.6 | -68.2 | 170.3 | 0 | 0 | 0 | 110.3 | N241 V242 S247 S248 E249 | N241-I245 WeakPolarHBondContact O-CG1 3.49Å; N241-I245 PolarHBondContact O-N 3.28Å; V242-I245 PolarHBondContact O-N 3.48Å; I245-S247 VanDerWaalsContact C-N 3.31Å; I245-S247 PolarHBondContact O-N 2.94Å; I245-S248 PolarHBondContact O-N 2.95Å; I245-S248 VanDerWaalsContact O-N 3.16Å; I245-S248 PolarHBondContact O-OG 3.15Å; I245-E249 PolarHBondContact O-N 3.5Å |
| 246 | M | 60.5 | Low | 69.3 | Low | 126 Ų | 126 | 98.1 Ų | 98.1 | 62% | 0.621 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.6 | -33.3 | 177.5 | -72 | -175.9 | 71.3 | 0 | 0 | 113.3 | V242 | V242-M246 HydrophobicContact CG1-SD 4.35Å; V242-M246 WeakPolarHBondContact O-CG 3.37Å; V242-M246 PolarHBondContact O-N 3.5Å |
| 247 | S | 61.6 | Low | 69.9 | Low | 80 Ų | 80 | 95.8 Ų | 95.8 | 56% | 0.559 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -74.1 | -29 | 175.9 | -139.7 | 0 | 0 | 0 | 0 | 112.7 | H243 S244 I245 | H243-S247 PolarHBondContact O-N 2.86Å; S244-S247 PolarHBondContact O-N 2.9Å; I245-S247 VanDerWaalsContact C-N 3.31Å; I245-S247 PolarHBondContact O-N 2.94Å |
| 248 | S | 63.3 | Low | 70.6 | Confident | 51 Ų | 51 | 95 Ų | 95 | 36% | 0.357 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.1 | -30.5 | 179.7 | 73.3 | 0 | 0 | 0 | 0 | 114 | S244 I245 S250 Q251 V252 | S244-S248 PolarHBondContact O-N 3.46Å; I245-S248 PolarHBondContact O-N 2.95Å; I245-S248 VanDerWaalsContact O-N 3.16Å; I245-S248 PolarHBondContact O-OG 3.15Å; S248-S250 PolarHBondContact O-N 3.47Å; S248-Q251 PolarHBondContact O-N 3.2Å; S248-Q251 VanDerWaalsContact O-N 3.11Å; S248-V252 WeakPolarHBondContact O-CG2 3.47Å; S248-V252 PolarHBondContact O-N 3.25Å |
| 249 | E | 68.6 | Low | 71.4 | Confident | 130 Ų | 130 | 93.9 Ų | 93.9 | 61% | 0.607 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.1 | -41.5 | -177.3 | -168.7 | 178.8 | -176.8 | 0 | 0 | 112.4 | I245 Q251 V252 L253 | I245-E249 PolarHBondContact O-N 3.5Å; E249-Q251 VanDerWaalsContact C-N 3.34Å; E249-Q251 PolarHBondContact O-N 3.4Å; E249-V252 PolarHBondContact O-N 3.45Å; E249-L253 HydrophobicContact CG-CD1 4.4Å; E249-L253 PolarHBondContact O-N 3.01Å |
| 250 | S | 71.5 | Confident | 72.4 | Confident | 89 Ų | 89 | 96.4 Ų | 96.4 | 62% | 0.622 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.9 | -33.7 | 176.5 | 179.8 | 0 | 0 | 0 | 0 | 112.8 | S248 S254 | S248-S250 PolarHBondContact O-N 3.47Å; S250-S254 PolarHBondContact O-N 2.81Å |
| 251 | Q | 72.4 | Confident | 73.5 | Confident | 139 Ų | 139 | 96.3 Ų | 96.3 | 65% | 0.65 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -74.1 | -38.4 | 178.1 | -66.7 | -179.7 | -12.4 | 0 | 0 | 111 | S248 E249 S254 L255 | S248-Q251 PolarHBondContact O-N 3.2Å; S248-Q251 VanDerWaalsContact O-N 3.11Å; E249-Q251 VanDerWaalsContact C-N 3.34Å; E249-Q251 PolarHBondContact O-N 3.4Å; Q251-S254 WeakPolarHBondContact O-CB 3.38Å; Q251-S254 PolarHBondContact O-N 2.82Å; Q251-L255 PolarHBondContact O-N 3.47Å |
| 252 | V | 72.7 | Confident | 74.7 | Confident | 80 Ų | 80 | 94.5 Ų | 94.5 | 49% | 0.485 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 175.5 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | S248 E249 S254 L255 M256 | S248-V252 WeakPolarHBondContact O-CG2 3.47Å; S248-V252 PolarHBondContact O-N 3.25Å; E249-V252 PolarHBondContact O-N 3.45Å; V252-S254 VanDerWaalsContact C-N 3.34Å; V252-S254 PolarHBondContact O-N 2.68Å; V252-L255 PolarHBondContact O-N 3.19Å; V252-L255 VanDerWaalsContact O-N 3.11Å; V252-M256 PolarHBondContact O-N 2.88Å |
| 253 | L | 77.8 | Confident | 76.3 | Confident | 107 Ų | 107 | 94.7 Ų | 94.7 | 56% | 0.56 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.3 | -39.1 | 174.4 | -81 | 162.7 | 0 | 0 | 0 | 112.6 | E249 L255 M256 T257 | E249-L253 HydrophobicContact CG-CD1 4.4Å; E249-L253 PolarHBondContact O-N 3.01Å; L253-L255 VanDerWaalsContact C-N 3.3Å; L253-L255 PolarHBondContact O-N 2.82Å; L253-M256 PolarHBondContact O-N 3.3Å; L253-T257 PolarHBondContact O-N 3.1Å; L253-T257 PolarHBondContact O-OG1 3.46Å |
| 254 | S | 80 | Confident | 77.8 | Confident | 72 Ų | 72 | 94.4 Ų | 94.4 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64 | -36.1 | 172.8 | -179 | 0 | 0 | 0 | 0 | 112 | S250 Q251 V252 T257 T258 | S250-S254 PolarHBondContact O-N 2.81Å; Q251-S254 WeakPolarHBondContact O-CB 3.38Å; Q251-S254 PolarHBondContact O-N 2.82Å; V252-S254 VanDerWaalsContact C-N 3.34Å; V252-S254 PolarHBondContact O-N 2.68Å; S254-T257 VanDerWaalsContact CA-OG1 3.32Å; S254-T257 WeakPolarHBondContact CA-OG1 3.42Å; S254-T257 PolarHBondContact O-OG1 3.01Å; S254-T258 WeakPolarHBondContact O-CG2 3.01Å; S254-T258 PolarHBondContact O-N 3.49Å; S254-T258 PolarHBondContact O-OG1 2.97Å |
| 255 | L | 80.6 | Confident | 78.9 | Confident | 108 Ų | 108 | 99.3 Ų | 99.3 | 57% | 0.565 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -72.5 | -42.6 | 178.5 | -174.3 | 67.5 | 0 | 0 | 0 | 111.4 | Q251 V252 L253 T257 T258 L259 | Q251-L255 PolarHBondContact O-N 3.47Å; V252-L255 PolarHBondContact O-N 3.19Å; V252-L255 VanDerWaalsContact O-N 3.11Å; L253-L255 VanDerWaalsContact C-N 3.3Å; L253-L255 PolarHBondContact O-N 2.82Å; L255-T257 VanDerWaalsContact C-N 3.32Å; L255-T257 PolarHBondContact O-N 3.37Å; L255-T258 WeakPolarHBondContact CA-OG1 3.35Å; L255-T258 PolarHBondContact O-N 3.27Å; L255-T258 VanDerWaalsContact O-N 3.14Å; L255-T258 PolarHBondContact O-OG1 3.06Å; L255-L259 PolarHBondContact O-N 3.32Å |
| 256 | M | 81.4 | Confident | 80.2 | Confident | 109 Ų | 109 | 96.5 Ų | 96.5 | 54% | 0.537 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 175.8 | -70.4 | -154.9 | 94.1 | 0 | 0 | 111.3 | V252 L253 T258 L259 D260 | V252-M256 PolarHBondContact O-N 2.88Å; L253-M256 PolarHBondContact O-N 3.3Å; M256-T258 VanDerWaalsContact C-N 3.3Å; M256-T258 PolarHBondContact O-N 3.06Å; M256-L259 PolarHBondContact O-N 3.12Å; M256-L259 VanDerWaalsContact O-N 3.09Å; M256-D260 VanDerWaalsContact O-CG 3.29Å; M256-D260 PolarHBondContact O-N 3.32Å |
| 257 | T | 87.4 | Confident | 81.8 | Confident | 89 Ų | 89 | 96.2 Ų | 96.2 | 55% | 0.546 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.8 | -34.3 | 175.4 | 39.3 | 0 | 0 | 0 | 0 | 113 | L253 S254 L255 S261 | L253-T257 PolarHBondContact O-N 3.1Å; L253-T257 PolarHBondContact O-OG1 3.46Å; S254-T257 VanDerWaalsContact CA-OG1 3.32Å; S254-T257 WeakPolarHBondContact CA-OG1 3.42Å; S254-T257 PolarHBondContact O-OG1 3.01Å; L255-T257 VanDerWaalsContact C-N 3.32Å; L255-T257 PolarHBondContact O-N 3.37Å; T257-S261 WeakPolarHBondContact O-CB 3.29Å; T257-S261 PolarHBondContact O-N 3.41Å; T257-S261 VanDerWaalsContact O-N 3.13Å |
| 258 | T | 87 | Confident | 83.2 | Confident | 78 Ų | 78 | 96.5 Ų | 96.5 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71 | -34.3 | 171.8 | 53.8 | 0 | 0 | 0 | 0 | 113.5 | S254 L255 M256 S261 A262 | S254-T258 WeakPolarHBondContact O-CG2 3.01Å; S254-T258 PolarHBondContact O-N 3.49Å; S254-T258 PolarHBondContact O-OG1 2.97Å; L255-T258 WeakPolarHBondContact CA-OG1 3.35Å; L255-T258 PolarHBondContact O-N 3.27Å; L255-T258 VanDerWaalsContact O-N 3.14Å; L255-T258 PolarHBondContact O-OG1 3.06Å; M256-T258 VanDerWaalsContact C-N 3.3Å; M256-T258 PolarHBondContact O-N 3.06Å; T258-S261 PolarHBondContact O-N 3Å; T258-A262 WeakPolarHBondContact O-CB 3.41Å; T258-A262 PolarHBondContact O-N 3.31Å |
| 259 | L | 85.2 | Confident | 84.4 | Confident | 94 Ų | 94 | 99 Ų | 99 | 49% | 0.492 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.1 | -43.4 | 175.4 | -80.8 | 168.7 | 0 | 0 | 0 | 111.4 | L255 M256 S261 A262 I263 | L255-L259 PolarHBondContact O-N 3.32Å; M256-L259 PolarHBondContact O-N 3.12Å; M256-L259 VanDerWaalsContact O-N 3.09Å; L259-S261 VanDerWaalsContact C-N 3.28Å; L259-S261 PolarHBondContact O-N 3.06Å; L259-A262 CarbonylContact O-C 3.58Å; L259-A262 WeakPolarHBondContact O-CA 3.46Å; L259-A262 WeakPolarHBondContact O-CB 3.22Å; L259-A262 PolarHBondContact O-N 3.47Å; L259-I263 WeakPolarHBondContact O-CG1 3.37Å; L259-I263 PolarHBondContact O-N 2.69Å |
| 260 | D | 93.4 | Very high | 85.4 | Confident | 93 Ų | 93 | 95.9 Ų | 95.9 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60 | -42.1 | 175.3 | -67 | -25.9 | 0 | 0 | 0 | 110.5 | M256 A262 I263 E264 | M256-D260 VanDerWaalsContact O-CG 3.29Å; M256-D260 PolarHBondContact O-N 3.32Å; D260-A262 VanDerWaalsContact C-N 3.31Å; D260-A262 PolarHBondContact O-N 3.26Å; D260-I263 PolarHBondContact O-N 3.28Å; D260-E264 WeakPolarHBondContact O-CB 3.44Å; D260-E264 PolarHBondContact O-N 3.43Å |
| 261 | S | 90 | Very high | 86.3 | Confident | 65 Ų | 65 | 98.4 Ų | 98.4 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -34.6 | 174.3 | -170.4 | 0 | 0 | 0 | 0 | 112.9 | T257 T258 L259 R265 | T257-S261 WeakPolarHBondContact O-CB 3.29Å; T257-S261 PolarHBondContact O-N 3.41Å; T257-S261 VanDerWaalsContact O-N 3.13Å; T258-S261 PolarHBondContact O-N 3Å; L259-S261 VanDerWaalsContact C-N 3.28Å; L259-S261 PolarHBondContact O-N 3.06Å; S261-R265 WeakPolarHBondContact O-CB 3.46Å; S261-R265 PolarHBondContact O-N 3.3Å; S261-R265 VanDerWaalsContact O-N 3.11Å |
| 262 | A | 90.2 | Very high | 87 | Confident | 55 Ų | 55 | 96.2 Ų | 96.2 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.2 | -39.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T258 L259 D260 R265 A266 | T258-A262 WeakPolarHBondContact O-CB 3.41Å; T258-A262 PolarHBondContact O-N 3.31Å; L259-A262 CarbonylContact O-C 3.58Å; L259-A262 WeakPolarHBondContact O-CA 3.46Å; L259-A262 WeakPolarHBondContact O-CB 3.22Å; L259-A262 PolarHBondContact O-N 3.47Å; D260-A262 VanDerWaalsContact C-N 3.31Å; D260-A262 PolarHBondContact O-N 3.26Å; A262-R265 WeakPolarHBondContact O-CB 3.21Å; A262-R265 PolarHBondContact O-N 3Å; A262-A266 PolarHBondContact O-N 3.01Å |
| 263 | I | 91.2 | Very high | 87.6 | Confident | 90 Ų | 90 | 96.1 Ų | 96.1 | 46% | 0.462 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -48.5 | 175.2 | -68.5 | 166.1 | 0 | 0 | 0 | 109.7 | L259 D260 R265 A266 E267 | L259-I263 WeakPolarHBondContact O-CG1 3.37Å; L259-I263 PolarHBondContact O-N 2.69Å; D260-I263 PolarHBondContact O-N 3.28Å; I263-R265 PolarHBondContact O-N 3.44Å; I263-A266 WeakPolarHBondContact O-CA 3.47Å; I263-A266 WeakPolarHBondContact O-CB 3.27Å; I263-A266 PolarHBondContact O-N 3.08Å; I263-E267 HydrophobicContact CG2-CG 4.47Å; I263-E267 PolarHBondContact O-N 2.71Å |
| 264 | E | 91.8 | Very high | 88.1 | Confident | 134 Ų | 134 | 94.9 Ų | 94.9 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.5 | -35.4 | 176.3 | -167.9 | -174.9 | -172.3 | 0 | 0 | 111.4 | D260 L268 | D260-E264 WeakPolarHBondContact O-CB 3.44Å; D260-E264 PolarHBondContact O-N 3.43Å; E264-L268 WeakPolarHBondContact O-CB 3.41Å; E264-L268 PolarHBondContact O-N 2.73Å |
| 265 | R | 90.2 | Very high | 88.4 | Confident | 179 Ų | 179 | 95.7 Ų | 95.7 | 68% | 0.675 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.5 | -38.7 | 174.1 | -136.6 | 76.5 | 176.9 | 160.1 | 0.9 | 112.8 | S261 A262 I263 L268 L269 | S261-R265 WeakPolarHBondContact O-CB 3.46Å; S261-R265 PolarHBondContact O-N 3.3Å; S261-R265 VanDerWaalsContact O-N 3.11Å; A262-R265 WeakPolarHBondContact O-CB 3.21Å; A262-R265 PolarHBondContact O-N 3Å; I263-R265 PolarHBondContact O-N 3.44Å; R265-L268 PolarHBondContact O-N 3.35Å; R265-L269 PolarHBondContact O-N 2.82Å |
| 266 | A | 88.2 | Confident | 88.6 | Confident | 59 Ų | 59 | 97.7 Ų | 97.7 | 49% | 0.488 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.3 | -43.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A262 I263 L268 L269 E270 | A262-A266 PolarHBondContact O-N 3.01Å; I263-A266 WeakPolarHBondContact O-CA 3.47Å; I263-A266 WeakPolarHBondContact O-CB 3.27Å; I263-A266 PolarHBondContact O-N 3.08Å; A266-L268 VanDerWaalsContact C-N 3.29Å; A266-L268 PolarHBondContact O-N 2.83Å; A266-L269 CarbonylContact O-C 3.6Å; A266-L269 WeakPolarHBondContact O-CA 3.4Å; A266-L269 WeakPolarHBondContact O-CB 3.44Å; A266-L269 PolarHBondContact O-N 2.89Å; A266-E270 PolarHBondContact O-N 2.57Å |
| 267 | E | 93 | Very high | 88.7 | Confident | 119 Ų | 119 | 99.7 Ų | 99.7 | 56% | 0.556 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.4 | -39.8 | 173.8 | -69.4 | 179.3 | 172.4 | 0 | 0 | 111.5 | I263 L269 E270 K271 | I263-E267 HydrophobicContact CG2-CG 4.47Å; I263-E267 PolarHBondContact O-N 2.71Å; E267-L269 VanDerWaalsContact C-N 3.33Å; E267-L269 PolarHBondContact O-N 2.67Å; E267-E270 PolarHBondContact O-N 3.33Å; E267-K271 WeakPolarHBondContact O-CB 3.37Å; E267-K271 PolarHBondContact O-N 3.16Å |
| 268 | L | 92.6 | Very high | 88.5 | Confident | 87 Ų | 87 | 98.3 Ų | 98.3 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 173.1 | -173.5 | 73.3 | 0 | 0 | 0 | 111.7 | E264 R265 A266 Q272 | E264-L268 WeakPolarHBondContact O-CB 3.41Å; E264-L268 PolarHBondContact O-N 2.73Å; R265-L268 PolarHBondContact O-N 3.35Å; A266-L268 VanDerWaalsContact C-N 3.29Å; A266-L268 PolarHBondContact O-N 2.83Å; L268-Q272 WeakPolarHBondContact O-CG 3.48Å; L268-Q272 PolarHBondContact O-N 3.09Å |
| 269 | L | 88.3 | Confident | 88.3 | Confident | 103 Ų | 103 | 100.8 Ų | 100.8 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 178 | -165.2 | 85.6 | 0 | 0 | 0 | 111.4 | R265 A266 E267 K271 Q272 L273 | R265-L269 PolarHBondContact O-N 2.82Å; A266-L269 CarbonylContact O-C 3.6Å; A266-L269 WeakPolarHBondContact O-CA 3.4Å; A266-L269 WeakPolarHBondContact O-CB 3.44Å; A266-L269 PolarHBondContact O-N 2.89Å; E267-L269 VanDerWaalsContact C-N 3.33Å; E267-L269 PolarHBondContact O-N 2.67Å; L269-K271 VanDerWaalsContact C-N 3.31Å; L269-K271 PolarHBondContact O-N 3.07Å; L269-Q272 CarbonylContact O-C 3.47Å; L269-Q272 WeakPolarHBondContact O-CA 3.18Å; L269-Q272 WeakPolarHBondContact O-CB 3.42Å; L269-Q272 PolarHBondContact O-N 3.28Å; L269-Q272 VanDerWaalsContact O-N 3.1Å; L269-L273 HydrophobicContact CG-CD1 4.44Å; L269-L273 PolarHBondContact O-N 3.21Å |
| 270 | E | 88.7 | Confident | 88.2 | Confident | 65 Ų | 65 | 101.3 Ų | 101.3 | 30% | 0.304 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 176.8 | -166.1 | -172.2 | 169.4 | 0 | 0 | 110.7 | A266 E267 Q272 L273 N274 | A266-E270 PolarHBondContact O-N 2.57Å; E267-E270 PolarHBondContact O-N 3.33Å; E270-Q272 VanDerWaalsContact C-N 3.28Å; E270-Q272 PolarHBondContact O-N 2.72Å; E270-L273 PolarHBondContact O-N 2.94Å; E270-L273 VanDerWaalsContact O-N 3.14Å; E270-N274 WeakPolarHBondContact O-CB 3.18Å; E270-N274 PolarHBondContact O-N 3.18Å; E270-N274 PolarHBondContact O-ND2 3.22Å |
| 271 | K | 89.7 | Confident | 87.6 | Confident | 142 Ų | 142 | 103 Ų | 103 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.4 | -37.8 | 173.1 | -165.6 | 175 | -175 | 174.5 | 0 | 112.3 | E267 L269 N275 | E267-K271 WeakPolarHBondContact O-CB 3.37Å; E267-K271 PolarHBondContact O-N 3.16Å; L269-K271 VanDerWaalsContact C-N 3.31Å; L269-K271 PolarHBondContact O-N 3.07Å; K271-N275 VanDerWaalsContact O-CG 3.22Å; K271-N275 PolarHBondContact O-N 2.88Å; K271-N275 PolarHBondContact O-ND2 3.43Å; K271-N275 PolarHBondContact O-OD1 3.38Å |
| 272 | Q | 88.7 | Confident | 87.1 | Confident | 93 Ų | 93 | 105.8 Ų | 105.8 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.6 | -41.3 | 173.8 | -74.1 | 180 | -9 | 0 | 0 | 112.2 | L268 L269 E270 N275 Y276 | L268-Q272 WeakPolarHBondContact O-CG 3.48Å; L268-Q272 PolarHBondContact O-N 3.09Å; L269-Q272 CarbonylContact O-C 3.47Å; L269-Q272 WeakPolarHBondContact O-CA 3.18Å; L269-Q272 WeakPolarHBondContact O-CB 3.42Å; L269-Q272 PolarHBondContact O-N 3.28Å; L269-Q272 VanDerWaalsContact O-N 3.1Å; E270-Q272 VanDerWaalsContact C-N 3.28Å; E270-Q272 PolarHBondContact O-N 2.72Å; Q272-N275 WeakPolarHBondContact O-CB 3.17Å; Q272-N275 PolarHBondContact O-N 2.87Å; Q272-Y276 WeakPolarHBondContact O-CD2 3.38Å; Q272-Y276 PolarHBondContact O-N 3.18Å; Q272-Y276 VanDerWaalsContact O-N 3.09Å |
| 273 | L | 85.6 | Confident | 86.8 | Confident | 78 Ų | 78 | 106.8 Ų | 106.8 | 41% | 0.408 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 176.1 | -110.6 | 127.4 | 0 | 0 | 0 | 112.1 | L269 E270 N275 Y276 Y277 | L269-L273 HydrophobicContact CG-CD1 4.44Å; L269-L273 PolarHBondContact O-N 3.21Å; E270-L273 PolarHBondContact O-N 2.94Å; E270-L273 VanDerWaalsContact O-N 3.14Å; L273-N275 VanDerWaalsContact C-N 3.27Å; L273-N275 PolarHBondContact O-N 3.45Å; L273-Y276 CarbonylContact O-C 3.47Å; L273-Y276 WeakPolarHBondContact O-CA 3.5Å; L273-Y276 WeakPolarHBondContact O-CB 3.46Å; L273-Y276 PolarHBondContact O-N 3.36Å; L273-Y277 HydrophobicContact CD2-CD2 4.25Å; L273-Y277 HydrophobicContact CD2-CE2 3.58Å; L273-Y277 VanDerWaalsContact O-CD2 3.29Å; L273-Y277 WeakPolarHBondContact O-CD2 3.47Å; L273-Y277 PolarHBondContact O-N 3.24Å |
| 274 | N | 87.6 | Confident | 86.4 | Confident | 80 Ų | 80 | 109.4 Ų | 109.4 | 43% | 0.428 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.6 | -36.8 | 175.6 | -73.1 | -26.8 | 0 | 0 | 0 | 112 | E270 Y277 S278 | E270-N274 WeakPolarHBondContact O-CB 3.18Å; E270-N274 PolarHBondContact O-N 3.18Å; E270-N274 PolarHBondContact O-ND2 3.22Å; N274-Y277 PolarHBondContact O-N 3.46Å; N274-S278 PolarHBondContact O-N 3.41Å |
| 275 | N | 86.5 | Confident | 85.9 | Confident | 90 Ų | 90 | 108 Ų | 108 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 171.5 | -64.5 | -19 | 0 | 0 | 0 | 111.2 | K271 Q272 L273 S278 F279 | K271-N275 VanDerWaalsContact O-CG 3.22Å; K271-N275 PolarHBondContact O-N 2.88Å; K271-N275 PolarHBondContact O-ND2 3.43Å; K271-N275 PolarHBondContact O-OD1 3.38Å; Q272-N275 WeakPolarHBondContact O-CB 3.17Å; Q272-N275 PolarHBondContact O-N 2.87Å; L273-N275 VanDerWaalsContact C-N 3.27Å; L273-N275 PolarHBondContact O-N 3.45Å; N275-S278 PolarHBondContact O-N 2.93Å; N275-F279 WeakPolarHBondContact O-CD2 3.48Å; N275-F279 PolarHBondContact O-N 3.41Å |
| 276 | Y | 84.8 | Confident | 85.6 | Confident | 150 Ų | 150 | 102 Ų | 102 | 59% | 0.588 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.8 | -40 | 176.3 | -70.2 | -58 | 0 | 0 | 0 | 112.7 | Q272 L273 F279 L280 | Q272-Y276 WeakPolarHBondContact O-CD2 3.38Å; Q272-Y276 PolarHBondContact O-N 3.18Å; Q272-Y276 VanDerWaalsContact O-N 3.09Å; L273-Y276 CarbonylContact O-C 3.47Å; L273-Y276 WeakPolarHBondContact O-CA 3.5Å; L273-Y276 WeakPolarHBondContact O-CB 3.46Å; L273-Y276 PolarHBondContact O-N 3.36Å; Y276-F279 PolarHBondContact O-N 2.6Å; Y276-L280 WeakPolarHBondContact O-CD1 3.29Å; Y276-L280 PolarHBondContact O-N 3Å |
| 277 | Y | 83.3 | Confident | 85.3 | Confident | 150 Ų | 150 | 105 Ų | 105 | 59% | 0.588 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.8 | -44.1 | 175.3 | -83.1 | -66.3 | 0 | 0 | 0 | 112.4 | L273 N274 F279 L280 E281 | L273-Y277 HydrophobicContact CD2-CD2 4.25Å; L273-Y277 HydrophobicContact CD2-CE2 3.58Å; L273-Y277 VanDerWaalsContact O-CD2 3.29Å; L273-Y277 WeakPolarHBondContact O-CD2 3.47Å; L273-Y277 PolarHBondContact O-N 3.24Å; N274-Y277 PolarHBondContact O-N 3.46Å; Y277-F279 VanDerWaalsContact C-N 3.29Å; Y277-F279 PolarHBondContact O-N 3.05Å; Y277-L280 PolarHBondContact O-N 2.8Å; Y277-L280 VanDerWaalsContact O-N 3.08Å; Y277-E281 PolarHBondContact O-N 2.7Å |
| 278 | S | 82.8 | Confident | 84.8 | Confident | 61 Ų | 61 | 101.8 Ų | 101.8 | 43% | 0.427 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59 | -40.8 | 174.5 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | N274 N275 E282 | N274-S278 PolarHBondContact O-N 3.41Å; N275-S278 PolarHBondContact O-N 2.93Å; S278-E282 PolarHBondContact O-N 2.77Å |
| 279 | F | 83 | Confident | 84.5 | Confident | 129 Ų | 129 | 102.1 Ų | 102.1 | 57% | 0.566 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.2 | -34.1 | 174.2 | -74.2 | -58.7 | 0 | 0 | 0 | 113.3 | N275 Y276 Y277 V283 | N275-F279 WeakPolarHBondContact O-CD2 3.48Å; N275-F279 PolarHBondContact O-N 3.41Å; Y276-F279 PolarHBondContact O-N 2.6Å; Y277-F279 VanDerWaalsContact C-N 3.29Å; Y277-F279 PolarHBondContact O-N 3.05Å; F279-V283 VanDerWaalsContact O-CG2 3.3Å; F279-V283 WeakPolarHBondContact O-CG2 3.25Å; F279-V283 PolarHBondContact O-N 3.23Å |
| 280 | L | 83.2 | Confident | 84.4 | Confident | 106 Ų | 106 | 101.9 Ų | 101.9 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.1 | -36.3 | 177.8 | -92.4 | 142.7 | 0 | 0 | 0 | 112.4 | Y276 Y277 V283 E284 | Y276-L280 WeakPolarHBondContact O-CD1 3.29Å; Y276-L280 PolarHBondContact O-N 3Å; Y277-L280 PolarHBondContact O-N 2.8Å; Y277-L280 VanDerWaalsContact O-N 3.08Å; L280-V283 PolarHBondContact O-N 2.9Å; L280-E284 PolarHBondContact O-N 3.32Å |
| 281 | E | 80.9 | Confident | 84.3 | Confident | 127 Ų | 127 | 106.4 Ų | 106.4 | 59% | 0.593 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.3 | -45.9 | 174.8 | -173.1 | 175 | -168.1 | 0 | 0 | 111.1 | Y277 V283 E284 D285 | Y277-E281 PolarHBondContact O-N 2.7Å; E281-V283 VanDerWaalsContact C-N 3.26Å; E281-V283 PolarHBondContact O-N 3.14Å; E281-E284 PolarHBondContact O-N 3.07Å; E281-D285 PolarHBondContact O-N 3.12Å |
| 282 | E | 79.8 | Confident | 84 | Confident | 124 Ų | 124 | 104.6 Ų | 104.6 | 58% | 0.579 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.4 | -36.5 | 173.4 | -70.5 | -178.2 | 177.3 | 0 | 0 | 112.5 | S278 A286 | S278-E282 PolarHBondContact O-N 2.77Å; E282-A286 VanDerWaalsContact O-CB 3.24Å; E282-A286 WeakPolarHBondContact O-CB 3.15Å; E282-A286 PolarHBondContact O-N 3.22Å |
| 283 | V | 84.2 | Confident | 83.9 | Confident | 76 Ų | 76 | 105.5 Ų | 105.5 | 46% | 0.461 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -73.3 | -36.9 | 177.3 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | F279 L280 E281 A286 M287 | F279-V283 VanDerWaalsContact O-CG2 3.3Å; F279-V283 WeakPolarHBondContact O-CG2 3.25Å; F279-V283 PolarHBondContact O-N 3.23Å; L280-V283 PolarHBondContact O-N 2.9Å; E281-V283 VanDerWaalsContact C-N 3.26Å; E281-V283 PolarHBondContact O-N 3.14Å; V283-A286 PolarHBondContact O-N 2.96Å; V283-M287 HydrophobicContact CG1-CG 4.32Å; V283-M287 WeakPolarHBondContact O-CB 3.32Å; V283-M287 WeakPolarHBondContact O-CG 3.44Å; V283-M287 PolarHBondContact O-N 3.39Å |
| 284 | E | 82.8 | Confident | 84 | Confident | 145 Ų | 145 | 106 Ų | 106 | 68% | 0.678 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.5 | -44.2 | 177.7 | -170.6 | 168.7 | -176.5 | 0 | 0 | 111.4 | L280 E281 A286 M287 A288 | L280-E284 PolarHBondContact O-N 3.32Å; E281-E284 PolarHBondContact O-N 3.07Å; E284-A286 PolarHBondContact O-N 3.18Å; E284-M287 WeakPolarHBondContact O-CB 3.25Å; E284-M287 PolarHBondContact O-N 2.93Å; E284-M287 VanDerWaalsContact O-N 3.14Å; E284-A288 PolarHBondContact O-N 3.48Å |
| 285 | D | 81.1 | Confident | 84.1 | Confident | 106 Ų | 106 | 106.2 Ų | 106.2 | 57% | 0.567 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.3 | -41.9 | 173 | -82.5 | -10.1 | 0 | 0 | 0 | 111.8 | E281 M287 A288 T289 | E281-D285 PolarHBondContact O-N 3.12Å; D285-M287 VanDerWaalsContact C-N 3.32Å; D285-M287 PolarHBondContact O-N 3.32Å; D285-A288 PolarHBondContact O-N 3.03Å; D285-T289 WeakPolarHBondContact O-CG2 3.49Å; D285-T289 PolarHBondContact O-N 2.88Å; D285-T289 PolarHBondContact O-OG1 2.64Å |
| 286 | A | 83.8 | Confident | 84.3 | Confident | 51 Ų | 51 | 107.1 Ų | 107.1 | 42% | 0.421 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E282 V283 E284 T289 L290 | E282-A286 VanDerWaalsContact O-CB 3.24Å; E282-A286 WeakPolarHBondContact O-CB 3.15Å; E282-A286 PolarHBondContact O-N 3.22Å; V283-A286 PolarHBondContact O-N 2.96Å; E284-A286 PolarHBondContact O-N 3.18Å; A286-T289 WeakPolarHBondContact CA-OG1 3.49Å; A286-T289 PolarHBondContact O-OG1 3.08Å; A286-L290 WeakPolarHBondContact O-CB 3.24Å; A286-L290 PolarHBondContact O-N 3.36Å |
| 287 | M | 81.3 | Confident | 84.5 | Confident | 124 Ų | 124 | 103.3 Ų | 103.3 | 61% | 0.611 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.5 | -36.8 | 177.5 | -75.9 | -77.1 | 178.6 | 0 | 0 | 112.6 | V283 E284 D285 L290 R291 | V283-M287 HydrophobicContact CG1-CG 4.32Å; V283-M287 WeakPolarHBondContact O-CB 3.32Å; V283-M287 WeakPolarHBondContact O-CG 3.44Å; V283-M287 PolarHBondContact O-N 3.39Å; E284-M287 WeakPolarHBondContact O-CB 3.25Å; E284-M287 PolarHBondContact O-N 2.93Å; E284-M287 VanDerWaalsContact O-N 3.14Å; D285-M287 VanDerWaalsContact C-N 3.32Å; D285-M287 PolarHBondContact O-N 3.32Å; M287-L290 PolarHBondContact O-N 2.84Å; M287-R291 WeakPolarHBondContact O-CB 3.27Å; M287-R291 PolarHBondContact O-N 3.47Å |
| 288 | A | 82.5 | Confident | 84.8 | Confident | 50 Ų | 50 | 101 Ų | 101 | 41% | 0.413 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66 | -48.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E284 D285 L290 R291 D292 | E284-A288 PolarHBondContact O-N 3.48Å; D285-A288 PolarHBondContact O-N 3.03Å; A288-L290 VanDerWaalsContact C-N 3.31Å; A288-L290 PolarHBondContact O-N 2.74Å; A288-R291 PolarHBondContact O-N 2.73Å; A288-D292 PolarHBondContact O-N 3.03Å |
| 289 | T | 86.4 | Confident | 85.2 | Confident | 95 Ų | 95 | 101.7 Ų | 101.7 | 58% | 0.583 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.5 | -38.1 | 175.9 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | D285 A286 D292 H293 | D285-T289 WeakPolarHBondContact O-CG2 3.49Å; D285-T289 PolarHBondContact O-N 2.88Å; D285-T289 PolarHBondContact O-OG1 2.64Å; A286-T289 WeakPolarHBondContact CA-OG1 3.49Å; A286-T289 PolarHBondContact O-OG1 3.08Å; T289-D292 PolarHBondContact O-N 2.96Å; T289-H293 WeakPolarHBondContact O-CB 3.42Å; T289-H293 PolarHBondContact O-N 3.2Å |
| 290 | L | 85.1 | Confident | 85.6 | Confident | 98 Ų | 98 | 97.9 Ų | 97.9 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.6 | -37.8 | 176.9 | -158.7 | 137 | 0 | 0 | 0 | 111.8 | A286 M287 A288 H293 D294 | A286-L290 WeakPolarHBondContact O-CB 3.24Å; A286-L290 PolarHBondContact O-N 3.36Å; M287-L290 PolarHBondContact O-N 2.84Å; A288-L290 VanDerWaalsContact C-N 3.31Å; A288-L290 PolarHBondContact O-N 2.74Å; L290-H293 WeakPolarHBondContact O-CB 3.5Å; L290-H293 PolarHBondContact O-N 3.39Å; L290-D294 WeakPolarHBondContact O-CB 3.45Å; L290-D294 PolarHBondContact O-N 2.89Å |
| 291 | R | 86.8 | Confident | 86 | Confident | 159 Ų | 159 | 96 Ų | 96 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.9 | -44.7 | 174.1 | 179.9 | -179.7 | -178.9 | 157.2 | 5 | 112.8 | M287 A288 H293 D294 Q295 | M287-R291 WeakPolarHBondContact O-CB 3.27Å; M287-R291 PolarHBondContact O-N 3.47Å; A288-R291 PolarHBondContact O-N 2.73Å; R291-H293 VanDerWaalsContact C-N 3.27Å; R291-H293 PolarHBondContact O-N 3.09Å; R291-D294 PolarHBondContact O-N 3.23Å; R291-Q295 WeakPolarHBondContact O-CG 3.49Å; R291-Q295 PolarHBondContact O-N 3.47Å |
| 292 | D | 84.1 | Confident | 86.5 | Confident | 105 Ų | 105 | 93.5 Ų | 93.5 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.6 | -38.1 | 177.1 | -73.7 | -12.9 | 0 | 0 | 0 | 110.6 | A288 T289 Q295 L296 | A288-D292 PolarHBondContact O-N 3.03Å; T289-D292 PolarHBondContact O-N 2.96Å; D292-Q295 PolarHBondContact O-N 3.28Å; D292-L296 WeakPolarHBondContact O-CB 3.31Å; D292-L296 PolarHBondContact O-N 3.41Å |
| 293 | H | 85.8 | Confident | 87.1 | Confident | 112 Ų | 112 | 92.3 Ų | 92.3 | 52% | 0.519 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 172.9 | -164.4 | 62.5 | 0 | 0 | 0 | 111.8 | T289 L290 R291 Q295 L296 I297 | T289-H293 WeakPolarHBondContact O-CB 3.42Å; T289-H293 PolarHBondContact O-N 3.2Å; L290-H293 WeakPolarHBondContact O-CB 3.5Å; L290-H293 PolarHBondContact O-N 3.39Å; R291-H293 VanDerWaalsContact C-N 3.27Å; R291-H293 PolarHBondContact O-N 3.09Å; H293-Q295 PolarHBondContact O-N 3.28Å; H293-L296 PolarHBondContact O-N 3.45Å; H293-I297 WeakPolarHBondContact CD2-CD1 3.29Å; H293-I297 WeakPolarHBondContact NE2-CD1 3.17Å; H293-I297 WeakPolarHBondContact O-CB 3.39Å; H293-I297 VanDerWaalsContact O-CG1 3.23Å; H293-I297 WeakPolarHBondContact O-CG1 3.32Å; H293-I297 PolarHBondContact O-N 2.97Å |
| 294 | D | 88 | Confident | 87.4 | Confident | 87 Ų | 87 | 97.3 Ų | 97.3 | 47% | 0.465 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 177.2 | -77.3 | -16.9 | 0 | 0 | 0 | 112.4 | L290 R291 I297 Q298 | L290-D294 WeakPolarHBondContact O-CB 3.45Å; L290-D294 PolarHBondContact O-N 2.89Å; R291-D294 PolarHBondContact O-N 3.23Å; D294-I297 PolarHBondContact O-N 2.92Å; D294-Q298 WeakPolarHBondContact O-CB 3.41Å; D294-Q298 PolarHBondContact O-N 3.18Å |
| 295 | Q | 89.9 | Confident | 87.9 | Confident | 85 Ų | 85 | 93.1 Ų | 93.1 | 40% | 0.397 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.5 | -41.7 | 175.7 | -73.7 | -174 | -3.4 | 0 | 0 | 112.1 | R291 D292 H293 Q298 T299 | R291-Q295 WeakPolarHBondContact O-CG 3.49Å; R291-Q295 PolarHBondContact O-N 3.47Å; D292-Q295 PolarHBondContact O-N 3.28Å; H293-Q295 PolarHBondContact O-N 3.28Å; Q295-Q298 PolarHBondContact O-N 3.35Å; Q295-T299 WeakPolarHBondContact O-CB 3.37Å; Q295-T299 PolarHBondContact O-N 3.5Å; Q295-T299 PolarHBondContact O-OG1 3.45Å |
| 296 | L | 90.9 | Very high | 88.3 | Confident | 109 Ų | 109 | 92.7 Ų | 92.7 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.3 | -44.4 | 174 | -176 | 64.9 | 0 | 0 | 0 | 110.3 | D292 H293 Q298 T299 T300 | D292-L296 WeakPolarHBondContact O-CB 3.31Å; D292-L296 PolarHBondContact O-N 3.41Å; H293-L296 PolarHBondContact O-N 3.45Å; L296-Q298 PolarHBondContact O-N 2.85Å; L296-T299 PolarHBondContact O-N 3.47Å; L296-T300 HydrophobicContact CD1-CG2 4.44Å; L296-T300 HydrophobicContact CG-CG2 4.48Å; L296-T300 WeakPolarHBondContact O-CB 3.22Å; L296-T300 WeakPolarHBondContact O-CG2 3.29Å; L296-T300 PolarHBondContact O-N 3.25Å; L296-T300 PolarHBondContact O-OG1 2.81Å |
| 297 | I | 89 | Confident | 88.5 | Confident | 70 Ų | 70 | 96 Ų | 96 | 36% | 0.359 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.4 | -52 | 174.9 | -71.3 | 165.2 | 0 | 0 | 0 | 109.8 | H293 D294 T299 T300 V301 | H293-I297 WeakPolarHBondContact CD2-CD1 3.29Å; H293-I297 WeakPolarHBondContact NE2-CD1 3.17Å; H293-I297 WeakPolarHBondContact O-CB 3.39Å; H293-I297 VanDerWaalsContact O-CG1 3.23Å; H293-I297 WeakPolarHBondContact O-CG1 3.32Å; H293-I297 PolarHBondContact O-N 2.97Å; D294-I297 PolarHBondContact O-N 2.92Å; I297-T299 PolarHBondContact O-N 2.84Å; I297-T300 WeakPolarHBondContact CA-OG1 3.39Å; I297-T300 CarbonylContact O-C 3.58Å; I297-T300 PolarHBondContact O-N 3.25Å; I297-T300 VanDerWaalsContact O-N 3.1Å; I297-T300 PolarHBondContact O-OG1 3.35Å; I297-V301 HydrophobicContact CG2-CG2 4.2Å; I297-V301 WeakPolarHBondContact O-CG2 3.5Å; I297-V301 PolarHBondContact O-N 3.37Å |
| 298 | Q | 89.8 | Confident | 88.9 | Confident | 103 Ų | 103 | 94.4 Ų | 94.4 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | -178.3 | -171.6 | 59.9 | 40.1 | 0 | 0 | 111.8 | D294 Q295 L296 T300 V301 D302 | D294-Q298 WeakPolarHBondContact O-CB 3.41Å; D294-Q298 PolarHBondContact O-N 3.18Å; Q295-Q298 PolarHBondContact O-N 3.35Å; L296-Q298 PolarHBondContact O-N 2.85Å; Q298-T300 VanDerWaalsContact C-N 3.3Å; Q298-T300 PolarHBondContact O-N 3.05Å; Q298-V301 PolarHBondContact O-N 3.15Å; Q298-V301 VanDerWaalsContact O-N 3.12Å; Q298-D302 PolarHBondContact NE2-OD1 2.87Å; Q298-D302 VanDerWaalsContact O-CG 3.29Å; Q298-D302 PolarHBondContact O-N 2.89Å |
| 299 | T | 90.8 | Very high | 89.2 | Confident | 74 Ų | 74 | 95.7 Ų | 95.7 | 45% | 0.454 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 176.7 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | Q295 L296 I297 N303 | Q295-T299 WeakPolarHBondContact O-CB 3.37Å; Q295-T299 PolarHBondContact O-N 3.5Å; Q295-T299 PolarHBondContact O-OG1 3.45Å; L296-T299 PolarHBondContact O-N 3.47Å; I297-T299 PolarHBondContact O-N 2.84Å; T299-N303 VanDerWaalsContact O-CB 3.24Å; T299-N303 WeakPolarHBondContact O-CB 3.39Å; T299-N303 PolarHBondContact O-N 3.06Å; T299-N303 PolarHBondContact O-ND2 2.96Å |
| 300 | T | 91.2 | Very high | 89.1 | Confident | 50 Ų | 50 | 94.5 Ų | 94.5 | 31% | 0.307 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.4 | -35.4 | 175.6 | 65 | 0 | 0 | 0 | 0 | 112.5 | L296 I297 Q298 R304 | L296-T300 HydrophobicContact CD1-CG2 4.44Å; L296-T300 HydrophobicContact CG-CG2 4.48Å; L296-T300 WeakPolarHBondContact O-CB 3.22Å; L296-T300 WeakPolarHBondContact O-CG2 3.29Å; L296-T300 PolarHBondContact O-N 3.25Å; L296-T300 PolarHBondContact O-OG1 2.81Å; I297-T300 WeakPolarHBondContact CA-OG1 3.39Å; I297-T300 CarbonylContact O-C 3.58Å; I297-T300 PolarHBondContact O-N 3.25Å; I297-T300 VanDerWaalsContact O-N 3.1Å; I297-T300 PolarHBondContact O-OG1 3.35Å; Q298-T300 VanDerWaalsContact C-N 3.3Å; Q298-T300 PolarHBondContact O-N 3.05Å; T300-R304 VanDerWaalsContact O-CB 3.29Å; T300-R304 WeakPolarHBondContact O-CB 3.38Å; T300-R304 WeakPolarHBondContact O-CD 3.41Å; T300-R304 WeakPolarHBondContact O-CG 3.41Å; T300-R304 PolarHBondContact O-N 2.84Å |
| 301 | V | 91.8 | Very high | 89.1 | Confident | 67 Ų | 67 | 94.1 Ų | 94.1 | 41% | 0.406 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.6 | -47.3 | 175.6 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | I297 Q298 R304 A305 | I297-V301 HydrophobicContact CG2-CG2 4.2Å; I297-V301 WeakPolarHBondContact O-CG2 3.5Å; I297-V301 PolarHBondContact O-N 3.37Å; Q298-V301 PolarHBondContact O-N 3.15Å; Q298-V301 VanDerWaalsContact O-N 3.12Å; V301-R304 PolarHBondContact O-N 3.37Å; V301-A305 WeakPolarHBondContact O-CB 3.29Å; V301-A305 PolarHBondContact O-N 2.92Å |
| 302 | D | 91.8 | Very high | 89 | Confident | 74 Ų | 74 | 91.4 Ų | 91.4 | 40% | 0.396 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 178.9 | -65.7 | -18.3 | 0 | 0 | 0 | 111.4 | Q298 R304 A305 N306 | Q298-D302 PolarHBondContact NE2-OD1 2.87Å; Q298-D302 VanDerWaalsContact O-CG 3.29Å; Q298-D302 PolarHBondContact O-N 2.89Å; D302-R304 VanDerWaalsContact C-N 3.34Å; D302-R304 PolarHBondContact O-N 2.89Å; D302-A305 PolarHBondContact O-N 3.42Å; D302-N306 WeakPolarHBondContact O-CB 3.29Å; D302-N306 PolarHBondContact O-N 3.33Å; D302-N306 PolarHBondContact O-ND2 3.14Å |
| 303 | N | 91.9 | Very high | 89 | Confident | 99 Ų | 99 | 90 Ų | 90 | 53% | 0.529 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 175.3 | -74.5 | -17.4 | 0 | 0 | 0 | 111.9 | T299 L307 | T299-N303 VanDerWaalsContact O-CB 3.24Å; T299-N303 WeakPolarHBondContact O-CB 3.39Å; T299-N303 PolarHBondContact O-N 3.06Å; T299-N303 PolarHBondContact O-ND2 2.96Å; N303-L307 VanDerWaalsContact O-CB 3.25Å; N303-L307 WeakPolarHBondContact O-CB 3.47Å; N303-L307 PolarHBondContact O-N 3.32Å |
| 304 | R | 91.7 | Very high | 88.8 | Confident | 181 Ų | 181 | 85.4 Ų | 85.4 | 68% | 0.683 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.1 | -41 | 174.9 | -77.3 | 170.9 | -179.7 | 174.2 | 2.6 | 111.7 | T300 V301 D302 L307 L308 | T300-R304 VanDerWaalsContact O-CB 3.29Å; T300-R304 WeakPolarHBondContact O-CB 3.38Å; T300-R304 WeakPolarHBondContact O-CD 3.41Å; T300-R304 WeakPolarHBondContact O-CG 3.41Å; T300-R304 PolarHBondContact O-N 2.84Å; V301-R304 PolarHBondContact O-N 3.37Å; D302-R304 VanDerWaalsContact C-N 3.34Å; D302-R304 PolarHBondContact O-N 2.89Å; R304-L307 PolarHBondContact O-N 2.95Å; R304-L308 VanDerWaalsContact O-CB 3.22Å; R304-L308 WeakPolarHBondContact O-CB 3.33Å; R304-L308 PolarHBondContact O-N 3.29Å |
| 305 | A | 92 | Very high | 88.5 | Confident | 56 Ų | 56 | 85 Ų | 85 | 46% | 0.463 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V301 D302 L308 N309 | V301-A305 WeakPolarHBondContact O-CB 3.29Å; V301-A305 PolarHBondContact O-N 2.92Å; D302-A305 PolarHBondContact O-N 3.42Å; A305-L308 PolarHBondContact O-N 3.28Å; A305-N309 PolarHBondContact O-N 3.5Å |
| 306 | N | 90.2 | Very high | 88.1 | Confident | 98 Ų | 98 | 87.1 Ų | 87.1 | 52% | 0.524 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 176.2 | -73.4 | -33.8 | 0 | 0 | 0 | 112.1 | D302 L308 N309 V310 | D302-N306 WeakPolarHBondContact O-CB 3.29Å; D302-N306 PolarHBondContact O-N 3.33Å; D302-N306 PolarHBondContact O-ND2 3.14Å; N306-L308 VanDerWaalsContact C-N 3.33Å; N306-N309 PolarHBondContact O-N 2.84Å; N306-V310 WeakPolarHBondContact O-CG2 3.45Å; N306-V310 PolarHBondContact O-N 3.22Å |
| 307 | L | 87.9 | Confident | 87.6 | Confident | 121 Ų | 121 | 84.9 Ų | 84.9 | 63% | 0.634 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.9 | -39 | 177.5 | -173 | 140.5 | 0 | 0 | 0 | 111.4 | N303 R304 V310 L311 | N303-L307 VanDerWaalsContact O-CB 3.25Å; N303-L307 WeakPolarHBondContact O-CB 3.47Å; N303-L307 PolarHBondContact O-N 3.32Å; R304-L307 PolarHBondContact O-N 2.95Å; L307-V310 PolarHBondContact O-N 3.37Å; L307-L311 VanDerWaalsContact O-CB 3.31Å; L307-L311 WeakPolarHBondContact O-CB 3.3Å; L307-L311 PolarHBondContact O-N 3.11Å |
| 308 | L | 90.4 | Very high | 87.1 | Confident | 90 Ų | 90 | 82 Ų | 82 | 47% | 0.471 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 174 | -178.9 | 64.5 | 0 | 0 | 0 | 111.2 | R304 A305 N306 V310 L311 E312 | R304-L308 VanDerWaalsContact O-CB 3.22Å; R304-L308 WeakPolarHBondContact O-CB 3.33Å; R304-L308 PolarHBondContact O-N 3.29Å; A305-L308 PolarHBondContact O-N 3.28Å; N306-L308 VanDerWaalsContact C-N 3.33Å; L308-V310 PolarHBondContact O-N 3.47Å; L308-L311 PolarHBondContact O-N 2.89Å; L308-L311 VanDerWaalsContact O-N 3.16Å; L308-E312 HydrophobicContact CD1-CG 4.33Å; L308-E312 HydrophobicContact CG-CG 4.43Å; L308-E312 WeakPolarHBondContact O-CB 3.49Å; L308-E312 WeakPolarHBondContact O-CG 3.31Å; L308-E312 PolarHBondContact O-N 3.01Å |
| 309 | N | 88.9 | Confident | 86.7 | Confident | 76 Ų | 76 | 81.3 Ų | 81.3 | 41% | 0.406 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 178 | -177.4 | 19.7 | 0 | 0 | 0 | 112.5 | A305 N306 L311 Q313 | A305-N309 PolarHBondContact O-N 3.5Å; N306-N309 PolarHBondContact O-N 2.84Å; N309-L311 VanDerWaalsContact C-N 3.35Å; N309-Q313 VanDerWaalsContact O-CG 3.31Å; N309-Q313 WeakPolarHBondContact O-CG 3.23Å; N309-Q313 PolarHBondContact O-N 3.2Å; N309-Q313 PolarHBondContact OD1-NE2 2.91Å |
| 310 | V | 84.1 | Confident | 86.2 | Confident | 70 Ų | 70 | 78.2 Ų | 78.2 | 42% | 0.424 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 174.3 | 173.2 | 0 | 0 | 0 | 0 | 111 | N306 L307 L308 Q313 L314 | N306-V310 WeakPolarHBondContact O-CG2 3.45Å; N306-V310 PolarHBondContact O-N 3.22Å; L307-V310 PolarHBondContact O-N 3.37Å; L308-V310 PolarHBondContact O-N 3.47Å; V310-Q313 PolarHBondContact O-N 3.47Å; V310-L314 WeakPolarHBondContact O-CB 3.24Å; V310-L314 PolarHBondContact O-N 3.47Å |
| 311 | L | 84 | Confident | 85.9 | Confident | 90 Ų | 90 | 78.8 Ų | 78.8 | 47% | 0.471 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 178.4 | -172.2 | 67.2 | 0 | 0 | 0 | 111.8 | L307 L308 N309 L314 V315 | L307-L311 VanDerWaalsContact O-CB 3.31Å; L307-L311 WeakPolarHBondContact O-CB 3.3Å; L307-L311 PolarHBondContact O-N 3.11Å; L308-L311 PolarHBondContact O-N 2.89Å; L308-L311 VanDerWaalsContact O-N 3.16Å; N309-L311 VanDerWaalsContact C-N 3.35Å; L311-L314 PolarHBondContact O-N 3.2Å; L311-V315 HydrophobicContact CG-CG2 4.44Å; L311-V315 WeakPolarHBondContact O-CB 3.42Å; L311-V315 VanDerWaalsContact O-CG2 3.25Å; L311-V315 WeakPolarHBondContact O-CG2 3.48Å; L311-V315 PolarHBondContact O-N 2.7Å |
| 312 | E | 86 | Confident | 85.6 | Confident | 103 Ų | 103 | 80.3 Ų | 80.3 | 48% | 0.481 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 175.4 | -76 | 174.9 | 173.6 | 0 | 0 | 111 | L308 L314 V315 D316 | L308-E312 HydrophobicContact CD1-CG 4.33Å; L308-E312 HydrophobicContact CG-CG 4.43Å; L308-E312 WeakPolarHBondContact O-CB 3.49Å; L308-E312 WeakPolarHBondContact O-CG 3.31Å; L308-E312 PolarHBondContact O-N 3.01Å; E312-L314 VanDerWaalsContact C-N 3.31Å; E312-L314 PolarHBondContact O-N 3.23Å; E312-V315 PolarHBondContact O-N 3.09Å; E312-D316 WeakPolarHBondContact O-CB 3.34Å; E312-D316 PolarHBondContact O-N 3.42Å |
| 313 | Q | 83.9 | Confident | 85.4 | Confident | 76 Ų | 76 | 81.7 Ų | 81.7 | 36% | 0.355 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 175.6 | -71.7 | 173.9 | 24.6 | 0 | 0 | 112.6 | N309 V310 R317 | N309-Q313 VanDerWaalsContact O-CG 3.31Å; N309-Q313 WeakPolarHBondContact O-CG 3.23Å; N309-Q313 PolarHBondContact O-N 3.2Å; N309-Q313 PolarHBondContact OD1-NE2 2.91Å; V310-Q313 PolarHBondContact O-N 3.47Å; Q313-R317 WeakPolarHBondContact O-CB 3.43Å; Q313-R317 VanDerWaalsContact O-CD 3.29Å; Q313-R317 WeakPolarHBondContact O-CD 3.04Å; Q313-R317 WeakPolarHBondContact O-CG 3.17Å; Q313-R317 PolarHBondContact O-N 3.11Å |
| 314 | L | 81 | Confident | 85.2 | Confident | 15 Ų | 15 | 78.6 Ų | 78.6 | 8% | 0.079 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -68.6 | -42 | 178.8 | -178.2 | 64.6 | 0 | 0 | 0 | 111.7 | V310 L311 E312 R317 L318 E361 L364 V367 | V310-L314 WeakPolarHBondContact O-CB 3.24Å; V310-L314 PolarHBondContact O-N 3.47Å; L311-L314 PolarHBondContact O-N 3.2Å; E312-L314 VanDerWaalsContact C-N 3.31Å; E312-L314 PolarHBondContact O-N 3.23Å; L314-R317 PolarHBondContact O-N 3.29Å; L314-L318 HydrophobicContact CD1-CD1 3.78Å; L314-L318 HydrophobicContact CD1-CG 4.43Å; L314-L318 HydrophobicContact CG-CD1 4.15Å; L314-L318 PolarHBondContact O-N 2.91Å; L314-L318 VanDerWaalsContact O-N 3.14Å; L314-E361 HydrophobicContact CD1-CG 4.4Å; L314-L364 HydrophobicContact CD2-CD1 3.9Å; L314-V367 HydrophobicContact CD1-CG2 3.98Å; L314-V367 HydrophobicContact CD2-CG2 3.71Å; L314-V367 HydrophobicContact CG-CG2 4.26Å |
| 315 | V | 82.3 | Confident | 84.9 | Confident | 78 Ų | 78 | 73.5 Ų | 73.5 | 47% | 0.473 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.1 | -49.9 | 176.2 | 171.2 | 0 | 0 | 0 | 0 | 109.9 | L311 E312 R317 L318 D319 | L311-V315 HydrophobicContact CG-CG2 4.44Å; L311-V315 WeakPolarHBondContact O-CB 3.42Å; L311-V315 VanDerWaalsContact O-CG2 3.25Å; L311-V315 WeakPolarHBondContact O-CG2 3.48Å; L311-V315 PolarHBondContact O-N 2.7Å; E312-V315 PolarHBondContact O-N 3.09Å; V315-R317 PolarHBondContact O-N 3.14Å; V315-R317 VanDerWaalsContact O-N 3.13Å; V315-L318 CarbonylContact O-C 3.25Å; V315-L318 PolarHBondContact O-N 3.32Å; V315-D319 VanDerWaalsContact O-CB 3.31Å; V315-D319 WeakPolarHBondContact O-CB 3.36Å; V315-D319 PolarHBondContact O-N 3.24Å |
| 316 | D | 81 | Confident | 84.7 | Confident | 130 Ų | 130 | 76.1 Ų | 76.1 | 70% | 0.695 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -57.8 | -31.2 | 178.9 | -76.7 | -9 | 0 | 0 | 0 | 112.6 | E312 | E312-D316 WeakPolarHBondContact O-CB 3.34Å; E312-D316 PolarHBondContact O-N 3.42Å |
| 317 | R | 79.5 | Confident | 84.6 | Confident | 61 Ų | 61 | 72.3 Ų | 72.3 | 23% | 0.23 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -79.1 | -28.3 | 177.5 | -76.2 | 167.8 | 42 | 159.4 | 10.5 | 114.7 | Q313 L314 V315 L352 E356 E361 | Q313-R317 WeakPolarHBondContact O-CB 3.43Å; Q313-R317 VanDerWaalsContact O-CD 3.29Å; Q313-R317 WeakPolarHBondContact O-CD 3.04Å; Q313-R317 WeakPolarHBondContact O-CG 3.17Å; Q313-R317 PolarHBondContact O-N 3.11Å; L314-R317 PolarHBondContact O-N 3.29Å; V315-R317 PolarHBondContact O-N 3.14Å; V315-R317 VanDerWaalsContact O-N 3.13Å; R317-L352 VanDerWaalsContact O-CD2 3.25Å; R317-L352 WeakPolarHBondContact O-CD2 3.49Å; R317-E356 PolarHBondContact NH1-O 3.44Å; R317-E356 VanDerWaalsContact NH2-C 3.35Å; R317-E356 PolarHBondContact NH2-O 3.31Å; R317-E361 IonicContact CZ-OE2 2.8Å; R317-E361 IonicContact NH1-OE1 3.72Å; R317-E361 IonicContact NH1-OE2 2.97Å; R317-E361 PolarHBondContact NH1-OE2 3.21Å; R317-E361 IonicContact NH2-OE2 3.93Å |
| 318 | L | 78.5 | Confident | 84.5 | Confident | 10 Ų | 10 | 66.7 Ų | 66.7 | 5% | 0.052 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -108 | -4.2 | -175.5 | -67.7 | 175.8 | 0 | 0 | 0 | 112.9 | L314 V315 F357 V367 R370 M371 L374 | L314-L318 HydrophobicContact CD1-CD1 3.78Å; L314-L318 HydrophobicContact CD1-CG 4.43Å; L314-L318 HydrophobicContact CG-CD1 4.15Å; L314-L318 PolarHBondContact O-N 2.91Å; L314-L318 VanDerWaalsContact O-N 3.14Å; V315-L318 CarbonylContact O-C 3.25Å; V315-L318 PolarHBondContact O-N 3.32Å; L318-F357 HydrophobicContact CD2-CE1 4.36Å; L318-V367 HydrophobicContact CD1-CB 4.4Å; L318-V367 HydrophobicContact CD1-CG1 4.06Å; L318-V367 HydrophobicContact CD1-CG2 4.05Å; L318-R370 HydrophobicContact CB-CG 3.97Å; L318-R370 PolarHBondContact O-NE 2.78Å; L318-R370 PolarHBondContact O-NH2 3.39Å; L318-M371 HydrophobicContact CD2-CG 4.45Å; L318-M371 HydrophobicContact CD2-SD 3.83Å; L318-L374 HydrophobicContact CD2-CD1 4.46Å |
| 319 | D | 81.8 | Confident | 84.3 | Confident | 88 Ų | 88 | 65.7 Ų | 65.7 | 47% | 0.471 | 34% | 0.343 | S | S | . | . | trans | -72.8 | 141.8 | 174.5 | -162.8 | 19.4 | 0 | 0 | 0 | 110.7 | V315 Y348 R370 | V315-D319 VanDerWaalsContact O-CB 3.31Å; V315-D319 WeakPolarHBondContact O-CB 3.36Å; V315-D319 PolarHBondContact O-N 3.24Å; D319-Y348 PolarHBondContact O-OH 2.9Å; D319-R370 IonicContact OD1-NH2 3.17Å | ||
| 320 | V | 80.6 | Confident | 84 | Confident | 9 Ų | 9 | 69.3 Ų | 69.3 | 6% | 0.055 | 36% | 0.355 | C | S | . | . | trans | -111.3 | 116.5 | 180 | -180 | 0 | 0 | 0 | 0 | 106.8 | P322 L325 Y348 L352 L374 | V320-P322 VanDerWaalsContact O-N 3.14Å; V320-L325 HydrophobicContact CG1-CB 3.99Å; V320-L325 HydrophobicContact CG1-CD1 4.41Å; V320-Y348 HydrophobicContact CG1-CE1 4.4Å; V320-L352 HydrophobicContact CG2-CD1 3.8Å; V320-L374 HydrophobicContact CG2-CD2 3.28Å | ||
| 321 | D | 85.3 | Confident | 83.7 | Confident | 62 Ų | 62 | 66.7 Ų | 66.7 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | trans | -51.4 | 123.7 | 174.1 | -176.1 | -26.2 | 0 | 0 | 0 | 109.9 | K323 Y324 L325 Y348 | D321-K323 PolarHBondContact O-N 3.17Å; D321-K323 WeakPolarHBondContact OD1-CB 3.22Å; D321-K323 PolarHBondContact OD1-N 3.06Å; D321-Y324 HydrophobicContact CB-CD2 3.69Å; D321-Y324 HydrophobicContact CB-CE2 4.24Å; D321-Y324 PolarHBondContact O-N 3.26Å; D321-L325 PolarHBondContact O-N 2.92Å; D321-L325 VanDerWaalsContact O-N 3.08Å; D321-Y348 HydrophobicContact CB-CE1 4.46Å; D321-Y348 PolarHBondContact N-OH 3.42Å | ||
| 322 | P | 85 | Confident | 83.6 | Confident | 99 Ų | 99 | 65.8 Ų | 65.8 | 64% | 0.643 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -56.9 | -26 | -178.4 | 22.3 | -34.2 | 0 | 0 | 0 | 113 | V320 H326 | V320-P322 VanDerWaalsContact O-N 3.14Å; P322-H326 WeakPolarHBondContact O-CB 3.3Å; P322-H326 PolarHBondContact O-N 3.06Å |
| 323 | K | 86.9 | Confident | 83.5 | Confident | 104 Ų | 104 | 61.3 Ų | 61.3 | 45% | 0.452 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.5 | -52.1 | 171.7 | -178.7 | -169.5 | 170 | -161.5 | 0 | 110.8 | D321 H326 V327 E344 | D321-K323 PolarHBondContact O-N 3.17Å; D321-K323 WeakPolarHBondContact OD1-CB 3.22Å; D321-K323 PolarHBondContact OD1-N 3.06Å; K323-H326 PolarHBondContact O-N 3.4Å; K323-V327 WeakPolarHBondContact O-CG2 3.27Å; K323-V327 PolarHBondContact O-N 3.35Å; K323-V327 VanDerWaalsContact O-N 3.14Å; K323-E344 IonicContact NZ-OE1 3.84Å |
| 324 | Y | 87.3 | Confident | 83.3 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 13% | 0.129 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -72.5 | -34.5 | -177.8 | -63.7 | -53.8 | 0 | 0 | 0 | 112.1 | D321 H326 V327 L328 E344 A345 Y348 | D321-Y324 HydrophobicContact CB-CD2 3.69Å; D321-Y324 HydrophobicContact CB-CE2 4.24Å; D321-Y324 PolarHBondContact O-N 3.26Å; Y324-H326 VanDerWaalsContact C-N 3.29Å; Y324-H326 PolarHBondContact O-N 3.08Å; Y324-V327 PolarHBondContact O-N 3.46Å; Y324-L328 WeakPolarHBondContact O-CG 3.48Å; Y324-L328 PolarHBondContact O-N 3.02Å; Y324-E344 HydrophobicContact CE1-CG 3.98Å; Y324-E344 WeakPolarHBondContact CE1-OE1 3.4Å; Y324-E344 PolarHBondContact OH-OE1 3.45Å; Y324-A345 HydrophobicContact CD1-CB 3.67Å; Y324-A345 HydrophobicContact CG-CB 4.31Å; Y324-Y348 AromaticContact CD2-CD1 3.36Å; Y324-Y348 HydrophobicContact CD2-CD1 3.36Å; Y324-Y348 HydrophobicContact CD2-CD2 4.06Å; Y324-Y348 AromaticContact CD2-CE1 3.63Å; Y324-Y348 HydrophobicContact CD2-CE1 3.63Å; Y324-Y348 HydrophobicContact CD2-CE2 4.31Å; Y324-Y348 AromaticContact CD2-CG 3.58Å; Y324-Y348 HydrophobicContact CD2-CG 3.58Å; Y324-Y348 HydrophobicContact CE2-CD1 4.11Å; Y324-Y348 AromaticContact CE2-CD2 3.96Å; Y324-Y348 HydrophobicContact CE2-CD2 3.96Å; Y324-Y348 HydrophobicContact CE2-CE1 4.41Å; Y324-Y348 HydrophobicContact CE2-CE2 4.3Å; Y324-Y348 AromaticContact CE2-CG 3.85Å; Y324-Y348 HydrophobicContact CE2-CG 3.85Å; Y324-Y348 AromaticContact CG-CD1 3.88Å; Y324-Y348 HydrophobicContact CG-CD1 3.88Å; Y324-Y348 HydrophobicContact CG-CE1 4.4Å; Y324-Y348 HydrophobicContact CG-CG 4.23Å |
| 325 | L | 86.2 | Confident | 83.5 | Confident | 75 Ų | 75 | 64.2 Ų | 64.2 | 39% | 0.393 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 173.3 | -169.9 | 149.6 | 0 | 0 | 0 | 111.4 | V320 D321 T329 | V320-L325 HydrophobicContact CG1-CB 3.99Å; V320-L325 HydrophobicContact CG1-CD1 4.41Å; D321-L325 PolarHBondContact O-N 2.92Å; D321-L325 VanDerWaalsContact O-N 3.08Å; L325-T329 WeakPolarHBondContact O-CB 3.34Å; L325-T329 PolarHBondContact O-N 3.14Å; L325-T329 VanDerWaalsContact O-N 3.1Å; L325-T329 PolarHBondContact O-OG1 3.39Å |
| 326 | H | 87 | Confident | 83.6 | Confident | 110 Ų | 110 | 63.9 Ų | 63.9 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 176 | -170.6 | 82 | 0 | 0 | 0 | 112.1 | P322 K323 Y324 T329 K330 | P322-H326 WeakPolarHBondContact O-CB 3.3Å; P322-H326 PolarHBondContact O-N 3.06Å; K323-H326 PolarHBondContact O-N 3.4Å; Y324-H326 VanDerWaalsContact C-N 3.29Å; Y324-H326 PolarHBondContact O-N 3.08Å; H326-T329 PolarHBondContact O-N 2.83Å; H326-K330 WeakPolarHBondContact O-CA 3.47Å; H326-K330 PolarHBondContact O-N 2.91Å |
| 327 | V | 88.6 | Confident | 83.8 | Confident | 19 Ų | 19 | 64 Ų | 64 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64 | -44 | 178.5 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | K323 Y324 T329 G331 L341 A345 | K323-V327 WeakPolarHBondContact O-CG2 3.27Å; K323-V327 PolarHBondContact O-N 3.35Å; K323-V327 VanDerWaalsContact O-N 3.14Å; Y324-V327 PolarHBondContact O-N 3.46Å; V327-T329 VanDerWaalsContact C-N 3.33Å; V327-T329 PolarHBondContact O-N 3.05Å; V327-G331 WeakPolarHBondContact O-CA 3.2Å; V327-G331 PolarHBondContact O-N 3.14Å; V327-L341 HydrophobicContact CG1-CB 4.08Å; V327-A345 HydrophobicContact CB-CB 4.11Å; V327-A345 HydrophobicContact CG1-CB 3.81Å |
| 328 | L | 86.9 | Confident | 84.2 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.3 | -34.4 | -179.8 | -68.9 | 166.9 | 0 | 0 | 0 | 112.3 | Y324 A345 L349 L377 F381 | Y324-L328 WeakPolarHBondContact O-CG 3.48Å; Y324-L328 PolarHBondContact O-N 3.02Å; L328-A345 HydrophobicContact CD1-CB 4.38Å; L328-A345 HydrophobicContact CD2-CB 3.92Å; L328-A345 HydrophobicContact CG-CB 3.84Å; L328-L349 HydrophobicContact CD1-CB 4.07Å; L328-L349 HydrophobicContact CD1-CD2 4Å; L328-L377 HydrophobicContact CB-CD1 4.11Å; L328-L377 HydrophobicContact CB-CG 4.45Å; L328-L377 HydrophobicContact CD1-CD2 3.92Å; L328-L377 HydrophobicContact CD1-CG 4.31Å; L328-F381 HydrophobicContact CB-CD2 4.41Å; L328-F381 HydrophobicContact CD2-CB 4.37Å; L328-F381 HydrophobicContact CD2-CD1 3.93Å; L328-F381 HydrophobicContact CD2-CD2 3.75Å; L328-F381 HydrophobicContact CD2-CE1 4.13Å; L328-F381 HydrophobicContact CD2-CE2 3.95Å; L328-F381 HydrophobicContact CD2-CG 3.73Å; L328-F381 HydrophobicContact CD2-CZ 4.14Å; L328-F381 WeakPolarHBondContact O-CD2 3.35Å |
| 329 | T | 86.1 | Confident | 84.6 | Confident | 69 Ų | 69 | 61.6 Ų | 61.6 | 42% | 0.423 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -81 | -51.7 | -179.1 | -52.5 | 0 | 0 | 0 | 0 | 111.7 | L325 H326 V327 K384 | L325-T329 WeakPolarHBondContact O-CB 3.34Å; L325-T329 PolarHBondContact O-N 3.14Å; L325-T329 VanDerWaalsContact O-N 3.1Å; L325-T329 PolarHBondContact O-OG1 3.39Å; H326-T329 PolarHBondContact O-N 2.83Å; V327-T329 VanDerWaalsContact C-N 3.33Å; V327-T329 PolarHBondContact O-N 3.05Å; T329-K384 PolarHBondContact O-NZ 2.9Å |
| 330 | K | 81.7 | Confident | 85 | Confident | 152 Ų | 152 | 60 Ų | 60 | 66% | 0.661 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -112.4 | -0.4 | -170.6 | -67.9 | -171 | 178.2 | -178.6 | 0 | 114.5 | H326 | H326-K330 WeakPolarHBondContact O-CA 3.47Å; H326-K330 PolarHBondContact O-N 2.91Å |
| 331 | G | 78.1 | Confident | 85.4 | Confident | 15 Ų | 15 | 63.3 Ų | 63.3 | 16% | 0.155 | 36% | 0.356 | C | S | . | . | trans | -55.5 | 142 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V327 K384 | V327-G331 WeakPolarHBondContact O-CA 3.2Å; V327-G331 PolarHBondContact O-N 3.14Å; G331-K384 PolarHBondContact O-NZ 3.31Å | ||
| 332 | D | 81.4 | Confident | 85.7 | Confident | 71 Ų | 71 | 60.4 Ų | 60.4 | 38% | 0.38 | 34% | 0.341 | S | S | . | . | trans | -85.5 | 127.1 | 175.4 | 176.7 | 28.7 | 0 | 0 | 0 | 109.6 | S334 T335 G338 | D332-S334 VanDerWaalsContact OD1-CB 3.27Å; D332-S334 WeakPolarHBondContact OD1-CB 3.49Å; D332-S334 PolarHBondContact OD1-N 3Å; D332-S334 PolarHBondContact OD1-OG 3.27Å; D332-S334 PolarHBondContact OD2-OG 3.06Å; D332-T335 VanDerWaalsContact OD2-CG2 3.32Å; D332-T335 WeakPolarHBondContact OD2-CG2 3.37Å; D332-T335 PolarHBondContact OD2-N 2.97Å; D332-T335 PolarHBondContact OD2-OG1 2.93Å; D332-G338 CarbonylContact O-C 3.6Å; D332-G338 VanDerWaalsContact O-C 3.25Å; D332-G338 VanDerWaalsContact O-CA 3.25Å; D332-G338 WeakPolarHBondContact O-CA 3.5Å | ||
| 333 | L | 84.4 | Confident | 86 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -98.6 | -0.1 | 176.2 | -66.7 | 171.3 | 0 | 0 | 0 | 112.1 | C342 K384 L385 F388 L461 | L333-C342 HydrophobicContact CD2-CB 4.02Å; L333-K384 HydrophobicContact CD1-CG 4.48Å; L333-L385 HydrophobicContact CD1-CD1 4.26Å; L333-F388 HydrophobicContact CB-CD1 3.83Å; L333-F388 HydrophobicContact CB-CD2 3.97Å; L333-F388 HydrophobicContact CB-CE1 3.91Å; L333-F388 HydrophobicContact CB-CE2 4.05Å; L333-F388 HydrophobicContact CB-CG 3.86Å; L333-F388 HydrophobicContact CB-CZ 4.03Å; L333-F388 HydrophobicContact CD1-CB 3.88Å; L333-F388 HydrophobicContact CD1-CD1 4.3Å; L333-F388 HydrophobicContact CD1-CG 4.05Å; L333-F388 VanDerWaalsContact O-CE1 3.27Å; L333-F388 WeakPolarHBondContact O-CE1 3.03Å; L333-F388 WeakPolarHBondContact O-CZ 3.44Å; L333-L461 HydrophobicContact CD2-CD1 4.29Å |
| 334 | S | 80.3 | Confident | 86.1 | Confident | 86 Ų | 86 | 57.3 Ų | 57.3 | 60% | 0.601 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -88 | -21.2 | -177 | 72.5 | 0 | 0 | 0 | 0 | 114.3 | D332 | D332-S334 VanDerWaalsContact OD1-CB 3.27Å; D332-S334 WeakPolarHBondContact OD1-CB 3.49Å; D332-S334 PolarHBondContact OD1-N 3Å; D332-S334 PolarHBondContact OD1-OG 3.27Å; D332-S334 PolarHBondContact OD2-OG 3.06Å |
| 335 | T | 84.2 | Confident | 86.3 | Confident | 66 Ų | 66 | 55.7 Ų | 55.7 | 41% | 0.405 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -104.3 | 144.3 | 179.4 | 50.2 | 0 | 0 | 0 | 0 | 111.3 | D332 D337 G338 I339 | D332-T335 VanDerWaalsContact OD2-CG2 3.32Å; D332-T335 WeakPolarHBondContact OD2-CG2 3.37Å; D332-T335 PolarHBondContact OD2-N 2.97Å; D332-T335 PolarHBondContact OD2-OG1 2.93Å; T335-D337 VanDerWaalsContact C-N 3.29Å; T335-D337 PolarHBondContact O-N 3.34Å; T335-G338 PolarHBondContact O-N 3.19Å; T335-G338 VanDerWaalsContact O-N 3.1Å; T335-G338 PolarHBondContact OG1-N 2.93Å; T335-I339 WeakPolarHBondContact O-CG1 3.31Å; T335-I339 PolarHBondContact O-N 2.92Å |
| 336 | S | 83.7 | Confident | 86.6 | Confident | 72 Ų | 72 | 52.1 Ų | 52.1 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 179.2 | -158 | 0 | 0 | 0 | 0 | 111.9 | G338 I339 A340 Q457 | S336-G338 PolarHBondContact O-N 3.32Å; S336-I339 PolarHBondContact O-N 2.75Å; S336-A340 PolarHBondContact O-N 3.38Å; S336-Q457 PolarHBondContact OG-OE1 2.83Å |
| 337 | D | 85.2 | Confident | 86.8 | Confident | 131 Ų | 131 | 48.1 Ų | 48.1 | 70% | 0.701 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.5 | -40.5 | 174.3 | -64.9 | -19.6 | 0 | 0 | 0 | 111.9 | T335 A340 L341 | T335-D337 VanDerWaalsContact C-N 3.29Å; T335-D337 PolarHBondContact O-N 3.34Å; D337-A340 PolarHBondContact O-N 3.4Å; D337-L341 WeakPolarHBondContact O-CG 3.43Å; D337-L341 PolarHBondContact O-N 2.9Å; D337-L341 VanDerWaalsContact O-N 3.07Å |
| 338 | G | 88.2 | Confident | 86.8 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 9% | 0.093 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D332 T335 S336 L341 C342 | D332-G338 CarbonylContact O-C 3.6Å; D332-G338 VanDerWaalsContact O-C 3.25Å; D332-G338 VanDerWaalsContact O-CA 3.25Å; D332-G338 WeakPolarHBondContact O-CA 3.5Å; T335-G338 PolarHBondContact O-N 3.19Å; T335-G338 VanDerWaalsContact O-N 3.1Å; T335-G338 PolarHBondContact OG1-N 2.93Å; S336-G338 PolarHBondContact O-N 3.32Å; G338-L341 PolarHBondContact O-N 3.38Å; G338-C342 PolarHBondContact O-N 3.22Å; G338-C342 PolarHBondContact O-SG 2.87Å |
| 339 | I | 88.1 | Confident | 87 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 6% | 0.062 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 174 | -65.4 | 164.9 | 0 | 0 | 0 | 110.5 | T335 S336 L341 C342 I343 Q457 L458 L461 | T335-I339 WeakPolarHBondContact O-CG1 3.31Å; T335-I339 PolarHBondContact O-N 2.92Å; S336-I339 PolarHBondContact O-N 2.75Å; I339-L341 PolarHBondContact O-N 3.16Å; I339-C342 WeakPolarHBondContact O-CB 3.39Å; I339-C342 PolarHBondContact O-N 3.2Å; I339-C342 VanDerWaalsContact O-N 3.15Å; I339-I343 HydrophobicContact CG2-CD1 3.9Å; I339-I343 HydrophobicContact CG2-CG1 4.39Å; I339-I343 VanDerWaalsContact O-CG1 3.31Å; I339-I343 WeakPolarHBondContact O-CG1 3.39Å; I339-I343 PolarHBondContact O-N 2.88Å; I339-Q457 HydrophobicContact CD1-CB 4.31Å; I339-L458 HydrophobicContact CD1-CD2 3.67Å; I339-L458 HydrophobicContact CG1-CD2 3.82Å; I339-L458 HydrophobicContact CG2-CD2 3.99Å; I339-L461 HydrophobicContact CG2-CD1 4.29Å |
| 340 | A | 89.1 | Confident | 87.1 | Confident | 55 Ų | 55 | 48.4 Ų | 48.4 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S336 D337 C342 I343 E344 | S336-A340 PolarHBondContact O-N 3.38Å; D337-A340 PolarHBondContact O-N 3.4Å; A340-C342 VanDerWaalsContact C-N 3.33Å; A340-C342 PolarHBondContact O-N 2.96Å; A340-I343 WeakPolarHBondContact O-CB 3.31Å; A340-I343 PolarHBondContact O-N 3.47Å; A340-E344 PolarHBondContact O-N 3.45Å |
| 341 | L | 90.4 | Very high | 87.3 | Confident | 78 Ų | 78 | 49.2 Ų | 49.2 | 41% | 0.408 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 174.6 | -69.5 | 173.4 | 0 | 0 | 0 | 112.1 | V327 D337 G338 I339 I343 E344 A345 | V327-L341 HydrophobicContact CG1-CB 4.08Å; D337-L341 WeakPolarHBondContact O-CG 3.43Å; D337-L341 PolarHBondContact O-N 2.9Å; D337-L341 VanDerWaalsContact O-N 3.07Å; G338-L341 PolarHBondContact O-N 3.38Å; I339-L341 PolarHBondContact O-N 3.16Å; L341-I343 VanDerWaalsContact C-N 3.35Å; L341-E344 PolarHBondContact O-N 3.14Å; L341-A345 WeakPolarHBondContact O-CB 3.48Å; L341-A345 PolarHBondContact O-N 3.35Å |
| 342 | C | 90.9 | Very high | 87.7 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.1 | -36.5 | 175.6 | -69.3 | 0 | 0 | 0 | 0 | 112.1 | L333 G338 I339 A340 A345 A346 F381 L461 | L333-C342 HydrophobicContact CD2-CB 4.02Å; G338-C342 PolarHBondContact O-N 3.22Å; G338-C342 PolarHBondContact O-SG 2.87Å; I339-C342 WeakPolarHBondContact O-CB 3.39Å; I339-C342 PolarHBondContact O-N 3.2Å; I339-C342 VanDerWaalsContact O-N 3.15Å; A340-C342 VanDerWaalsContact C-N 3.33Å; A340-C342 PolarHBondContact O-N 2.96Å; C342-A345 PolarHBondContact O-N 2.8Å; C342-A346 WeakPolarHBondContact O-CB 3.49Å; C342-A346 PolarHBondContact O-N 3.09Å; C342-F381 HydrophobicContact CB-CE2 4.28Å; C342-F381 HydrophobicContact CB-CZ 4.12Å; C342-L461 HydrophobicContact CB-CD1 4.21Å |
| 343 | I | 90.2 | Very high | 87.9 | Confident | 58 Ų | 58 | 46.8 Ų | 46.8 | 30% | 0.297 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 174.1 | -68.7 | 163.4 | 0 | 0 | 0 | 110.3 | I339 A340 L341 A346 G347 P460 L461 | I339-I343 HydrophobicContact CG2-CD1 3.9Å; I339-I343 HydrophobicContact CG2-CG1 4.39Å; I339-I343 VanDerWaalsContact O-CG1 3.31Å; I339-I343 WeakPolarHBondContact O-CG1 3.39Å; I339-I343 PolarHBondContact O-N 2.88Å; A340-I343 WeakPolarHBondContact O-CB 3.31Å; A340-I343 PolarHBondContact O-N 3.47Å; L341-I343 VanDerWaalsContact C-N 3.35Å; I343-A346 PolarHBondContact O-N 3.18Å; I343-G347 PolarHBondContact O-N 3.47Å; I343-P460 HydrophobicContact CD1-CB 4.01Å; I343-P460 HydrophobicContact CD1-CG 3.88Å; I343-P460 HydrophobicContact CG1-CB 4.12Å; I343-P460 HydrophobicContact CG2-CB 4.18Å; I343-L461 HydrophobicContact CB-CD2 4.42Å; I343-L461 HydrophobicContact CG1-CD1 4.18Å; I343-L461 HydrophobicContact CG1-CD2 3.84Å; I343-L461 HydrophobicContact CG1-CG 3.68Å |
| 344 | E | 89.5 | Confident | 87.9 | Confident | 80 Ų | 80 | 51.6 Ų | 51.6 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 177.5 | -169.3 | -169.7 | 152.8 | 0 | 0 | 111.3 | K323 Y324 A340 L341 G347 Y348 | K323-E344 IonicContact NZ-OE1 3.84Å; Y324-E344 HydrophobicContact CE1-CG 3.98Å; Y324-E344 WeakPolarHBondContact CE1-OE1 3.4Å; Y324-E344 PolarHBondContact OH-OE1 3.45Å; A340-E344 PolarHBondContact O-N 3.45Å; L341-E344 PolarHBondContact O-N 3.14Å; E344-G347 PolarHBondContact O-N 2.92Å; E344-Y348 PolarHBondContact O-N 3.33Å |
| 345 | A | 91.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.8 | -39.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y324 V327 L328 L341 C342 Y348 L349 | Y324-A345 HydrophobicContact CD1-CB 3.67Å; Y324-A345 HydrophobicContact CG-CB 4.31Å; V327-A345 HydrophobicContact CB-CB 4.11Å; V327-A345 HydrophobicContact CG1-CB 3.81Å; L328-A345 HydrophobicContact CD1-CB 4.38Å; L328-A345 HydrophobicContact CD2-CB 3.92Å; L328-A345 HydrophobicContact CG-CB 3.84Å; L341-A345 WeakPolarHBondContact O-CB 3.48Å; L341-A345 PolarHBondContact O-N 3.35Å; C342-A345 PolarHBondContact O-N 2.8Å; A345-Y348 PolarHBondContact O-N 3.09Å; A345-L349 PolarHBondContact O-N 3.01Å |
| 346 | A | 92.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67 | -40.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | C342 I343 Y348 L349 D350 F381 L461 W465 | C342-A346 WeakPolarHBondContact O-CB 3.49Å; C342-A346 PolarHBondContact O-N 3.09Å; I343-A346 PolarHBondContact O-N 3.18Å; A346-Y348 VanDerWaalsContact C-N 3.32Å; A346-Y348 PolarHBondContact O-N 3.31Å; A346-L349 PolarHBondContact O-N 3.33Å; A346-D350 WeakPolarHBondContact O-CB 3.25Å; A346-D350 PolarHBondContact O-N 3.32Å; A346-F381 HydrophobicContact CB-CE1 3.92Å; A346-F381 HydrophobicContact CB-CZ 4.43Å; A346-L461 HydrophobicContact CB-CD2 3.88Å; A346-W465 HydrophobicContact CB-CD2 4.11Å; A346-W465 HydrophobicContact CB-CG 3.99Å; A346-W465 PolarHBondContact O-NE1 3.12Å |
| 347 | G | 91.4 | Very high | 86.8 | Confident | 26 Ų | 26 | 53.6 Ų | 53.6 | 27% | 0.268 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.2 | -33 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I343 E344 R351 | I343-G347 PolarHBondContact O-N 3.47Å; E344-G347 PolarHBondContact O-N 2.92Å; G347-R351 WeakPolarHBondContact O-CG 3.41Å; G347-R351 PolarHBondContact O-N 3.46Å; G347-R351 PolarHBondContact O-NE 3.39Å |
| 348 | Y | 89.1 | Confident | 86.2 | Confident | 49 Ų | 49 | 52.1 Ų | 52.1 | 19% | 0.192 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.7 | -46.3 | 171.5 | 176.6 | -100.9 | 0 | 0 | 0 | 111.7 | D319 V320 D321 Y324 E344 A345 A346 D350 R351 L352 | D319-Y348 PolarHBondContact O-OH 2.9Å; V320-Y348 HydrophobicContact CG1-CE1 4.4Å; D321-Y348 HydrophobicContact CB-CE1 4.46Å; D321-Y348 PolarHBondContact N-OH 3.42Å; Y324-Y348 AromaticContact CD2-CD1 3.36Å; Y324-Y348 HydrophobicContact CD2-CD1 3.36Å; Y324-Y348 HydrophobicContact CD2-CD2 4.06Å; Y324-Y348 AromaticContact CD2-CE1 3.63Å; Y324-Y348 HydrophobicContact CD2-CE1 3.63Å; Y324-Y348 HydrophobicContact CD2-CE2 4.31Å; Y324-Y348 AromaticContact CD2-CG 3.58Å; Y324-Y348 HydrophobicContact CD2-CG 3.58Å; Y324-Y348 HydrophobicContact CE2-CD1 4.11Å; Y324-Y348 AromaticContact CE2-CD2 3.96Å; Y324-Y348 HydrophobicContact CE2-CD2 3.96Å; Y324-Y348 HydrophobicContact CE2-CE1 4.41Å; Y324-Y348 HydrophobicContact CE2-CE2 4.3Å; Y324-Y348 AromaticContact CE2-CG 3.85Å; Y324-Y348 HydrophobicContact CE2-CG 3.85Å; Y324-Y348 AromaticContact CG-CD1 3.88Å; Y324-Y348 HydrophobicContact CG-CD1 3.88Å; Y324-Y348 HydrophobicContact CG-CE1 4.4Å; Y324-Y348 HydrophobicContact CG-CG 4.23Å; E344-Y348 PolarHBondContact O-N 3.33Å; A345-Y348 PolarHBondContact O-N 3.09Å; A346-Y348 VanDerWaalsContact C-N 3.32Å; A346-Y348 PolarHBondContact O-N 3.31Å; Y348-D350 VanDerWaalsContact C-N 3.29Å; Y348-D350 PolarHBondContact O-N 3.35Å; Y348-R351 WeakPolarHBondContact O-CB 3.25Å; Y348-R351 PolarHBondContact O-N 2.98Å; Y348-R351 VanDerWaalsContact O-N 3.15Å; Y348-L352 HydrophobicContact CD1-CD1 4.01Å; Y348-L352 HydrophobicContact CD1-CG 4.49Å; Y348-L352 HydrophobicContact CE1-CD1 3.46Å; Y348-L352 VanDerWaalsContact CE1-CD1 3.46Å; Y348-L352 HydrophobicContact CE1-CG 4.13Å; Y348-L352 PolarHBondContact O-N 2.94Å; Y348-L352 VanDerWaalsContact O-N 3.13Å |
| 349 | L | 90.2 | Very high | 85.4 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.2 | -40 | 176.2 | 177.8 | 60.8 | 0 | 0 | 0 | 112.3 | L328 A345 A346 R351 L352 L353 L374 L377 R378 W465 | L328-L349 HydrophobicContact CD1-CB 4.07Å; L328-L349 HydrophobicContact CD1-CD2 4Å; A345-L349 PolarHBondContact O-N 3.01Å; A346-L349 PolarHBondContact O-N 3.33Å; L349-R351 VanDerWaalsContact C-N 3.33Å; L349-R351 PolarHBondContact O-N 3.23Å; L349-L352 PolarHBondContact O-N 3.24Å; L349-L353 HydrophobicContact CD1-CD1 4.24Å; L349-L353 HydrophobicContact CD1-CG 4.25Å; L349-L353 HydrophobicContact CG-CD1 4.02Å; L349-L353 HydrophobicContact CG-CG 4.48Å; L349-L353 WeakPolarHBondContact O-CG 3.18Å; L349-L353 PolarHBondContact O-N 2.89Å; L349-L374 HydrophobicContact CD1-CB 4.47Å; L349-L374 HydrophobicContact CD1-CD2 3.99Å; L349-L377 HydrophobicContact CD1-CD2 4.41Å; L349-R378 HydrophobicContact CD2-CB 4Å; L349-W465 HydrophobicContact CD2-CZ2 4.08Å |
| 350 | D | 88.2 | Confident | 84.6 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 25% | 0.246 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 176.8 | -168.8 | 65.8 | 0 | 0 | 0 | 112 | A346 Y348 L352 L353 N354 N469 | A346-D350 WeakPolarHBondContact O-CB 3.25Å; A346-D350 PolarHBondContact O-N 3.32Å; Y348-D350 VanDerWaalsContact C-N 3.29Å; Y348-D350 PolarHBondContact O-N 3.35Å; D350-L352 VanDerWaalsContact C-N 3.35Å; D350-L352 PolarHBondContact O-N 2.82Å; D350-L353 PolarHBondContact O-N 3.4Å; D350-N354 VanDerWaalsContact CG-ND2 3.3Å; D350-N354 WeakPolarHBondContact O-CB 3.2Å; D350-N354 PolarHBondContact O-N 2.94Å; D350-N354 PolarHBondContact O-ND2 3.45Å; D350-N354 PolarHBondContact OD1-ND2 3.02Å; D350-N354 VanDerWaalsContact OD1-ND2 3.12Å; D350-N354 PolarHBondContact OD2-ND2 2.89Å; D350-N469 PolarHBondContact OD1-ND2 3.46Å |
| 351 | R | 86.8 | Confident | 84.1 | Confident | 169 Ų | 169 | 60.4 Ų | 60.4 | 64% | 0.638 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.9 | -38.4 | 174.5 | -71.1 | 179.5 | -127.4 | 149.7 | 0 | 112.6 | G347 Y348 L349 S355 | G347-R351 WeakPolarHBondContact O-CG 3.41Å; G347-R351 PolarHBondContact O-N 3.46Å; G347-R351 PolarHBondContact O-NE 3.39Å; Y348-R351 WeakPolarHBondContact O-CB 3.25Å; Y348-R351 PolarHBondContact O-N 2.98Å; Y348-R351 VanDerWaalsContact O-N 3.15Å; L349-R351 VanDerWaalsContact C-N 3.33Å; L349-R351 PolarHBondContact O-N 3.23Å; R351-S355 PolarHBondContact O-N 3.42Å |
| 352 | L | 86.2 | Confident | 83.3 | Confident | 14 Ų | 14 | 63.1 Ų | 63.1 | 7% | 0.073 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.2 | -46.1 | 176.8 | -66.4 | 178.9 | 0 | 0 | 0 | 111.2 | R317 V320 Y348 L349 D350 N354 S355 L374 | R317-L352 VanDerWaalsContact O-CD2 3.25Å; R317-L352 WeakPolarHBondContact O-CD2 3.49Å; V320-L352 HydrophobicContact CG2-CD1 3.8Å; Y348-L352 HydrophobicContact CD1-CD1 4.01Å; Y348-L352 HydrophobicContact CD1-CG 4.49Å; Y348-L352 HydrophobicContact CE1-CD1 3.46Å; Y348-L352 VanDerWaalsContact CE1-CD1 3.46Å; Y348-L352 HydrophobicContact CE1-CG 4.13Å; Y348-L352 PolarHBondContact O-N 2.94Å; Y348-L352 VanDerWaalsContact O-N 3.13Å; L349-L352 PolarHBondContact O-N 3.24Å; D350-L352 VanDerWaalsContact C-N 3.35Å; D350-L352 PolarHBondContact O-N 2.82Å; L352-N354 VanDerWaalsContact C-N 3.28Å; L352-N354 PolarHBondContact O-N 3.18Å; L352-S355 PolarHBondContact O-N 3.09Å; L352-S355 PolarHBondContact O-OG 2.93Å; L352-L374 HydrophobicContact CB-CD1 4.25Å; L352-L374 HydrophobicContact CD1-CD2 4.25Å |
| 353 | L | 86.1 | Confident | 82.6 | Confident | 22 Ų | 22 | 71 Ų | 71 | 12% | 0.115 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.5 | -31.7 | 179.7 | -73.5 | 171 | 0 | 0 | 0 | 113.2 | L349 D350 M371 L374 R375 R378 | L349-L353 HydrophobicContact CD1-CD1 4.24Å; L349-L353 HydrophobicContact CD1-CG 4.25Å; L349-L353 HydrophobicContact CG-CD1 4.02Å; L349-L353 HydrophobicContact CG-CG 4.48Å; L349-L353 WeakPolarHBondContact O-CG 3.18Å; L349-L353 PolarHBondContact O-N 2.89Å; D350-L353 PolarHBondContact O-N 3.4Å; L353-M371 HydrophobicContact CD2-CE 4.29Å; L353-L374 HydrophobicContact CD2-CB 3.76Å; L353-R375 HydrophobicContact CD2-CG 4.34Å; L353-R378 HydrophobicContact CD1-CB 4.14Å; L353-R378 HydrophobicContact CD1-CG 4.13Å |
| 354 | N | 84 | Confident | 82.3 | Confident | 108 Ų | 108 | 72.3 Ų | 72.3 | 58% | 0.578 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 14 | -178.1 | -62.1 | -40.9 | 0 | 0 | 0 | 113.3 | D350 L352 | D350-N354 VanDerWaalsContact CG-ND2 3.3Å; D350-N354 WeakPolarHBondContact O-CB 3.2Å; D350-N354 PolarHBondContact O-N 2.94Å; D350-N354 PolarHBondContact O-ND2 3.45Å; D350-N354 PolarHBondContact OD1-ND2 3.02Å; D350-N354 VanDerWaalsContact OD1-ND2 3.12Å; D350-N354 PolarHBondContact OD2-ND2 2.89Å; L352-N354 VanDerWaalsContact C-N 3.28Å; L352-N354 PolarHBondContact O-N 3.18Å |
| 355 | S | 80.3 | Confident | 82.2 | Confident | 27 Ų | 27 | 75.4 Ų | 75.4 | 19% | 0.189 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 136.6 | 178.2 | 66.1 | 0 | 0 | 0 | 0 | 111.7 | R351 L352 F357 | R351-S355 PolarHBondContact O-N 3.42Å; L352-S355 PolarHBondContact O-N 3.09Å; L352-S355 PolarHBondContact O-OG 2.93Å; S355-F357 PolarHBondContact O-N 2.66Å |
| 356 | E | 74.3 | Confident | 81.8 | Confident | 177 Ų | 177 | 78.7 Ų | 78.7 | 83% | 0.827 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 119.1 | -177 | -66.3 | -177.3 | 170 | 0 | 0 | 111.3 | R317 | R317-E356 PolarHBondContact NH1-O 3.44Å; R317-E356 VanDerWaalsContact NH2-C 3.35Å; R317-E356 PolarHBondContact NH2-O 3.31Å |
| 357 | F | 70.9 | Confident | 81.5 | Confident | 63 Ų | 63 | 79 Ų | 79 | 28% | 0.276 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 141.7 | 174.6 | -61.7 | -72.1 | 0 | 0 | 0 | 111.6 | L318 S355 E361 E362 V367 M371 | L318-F357 HydrophobicContact CD2-CE1 4.36Å; S355-F357 PolarHBondContact O-N 2.66Å; F357-E361 WeakPolarHBondContact CA-OE2 3.42Å; F357-E361 HydrophobicContact CB-CB 4.37Å; F357-E361 HydrophobicContact CD1-CB 4.36Å; F357-E362 HydrophobicContact CB-CG 4.18Å; F357-E362 HydrophobicContact CG-CG 4.46Å; F357-V367 HydrophobicContact CD1-CG1 4.36Å; F357-V367 HydrophobicContact CE1-CG1 3.84Å; F357-M371 HydrophobicContact CE2-CE 4.34Å; F357-M371 HydrophobicContact CZ-CE 3.9Å; F357-M371 HydrophobicContact CZ-CG 4.05Å; F357-M371 HydrophobicContact CZ-SD 3.8Å |
| 358 | K | 72.8 | Confident | 81.1 | Confident | 99 Ų | 99 | 82.1 Ų | 82.1 | 43% | 0.43 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -74 | 148.7 | 164.8 | -68.4 | 177 | -177.4 | 163.8 | 0 | 108.8 | G360 E361 | K358-G360 PolarHBondContact O-N 3.05Å; K358-E361 HydrophobicContact CB-CG 4.15Å; K358-E361 PolarHBondContact N-OE2 2.71Å; K358-E361 WeakPolarHBondContact O-CB 3.47Å; K358-E361 PolarHBondContact O-N 3.09Å |
| 359 | E | 70.7 | Confident | 81.1 | Confident | 201 Ų | 201 | 84.8 Ų | 84.8 | 94% | 0.939 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 121.6 | -179.2 | -163.4 | 175.1 | -172.9 | 0 | 0 | 110.7 | ||
| 360 | G | 72.3 | Confident | 80.9 | Confident | 36 Ų | 36 | 87.7 Ų | 87.7 | 37% | 0.371 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104 | -26.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | K358 E362 H363 | K358-G360 PolarHBondContact O-N 3.05Å; G360-E362 PolarHBondContact O-N 2.52Å; G360-H363 PolarHBondContact O-N 3.11Å; G360-H363 VanDerWaalsContact O-N 3.1Å; G360-H363 PolarHBondContact O-ND1 3.12Å |
| 361 | E | 78.4 | Confident | 80.8 | Confident | 13 Ų | 13 | 86 Ų | 86 | 6% | 0.061 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -60.7 | -30.3 | 179.3 | -69.6 | 175.9 | 169.9 | 0 | 0 | 112 | L314 R317 F357 K358 H363 L364 | L314-E361 HydrophobicContact CD1-CG 4.4Å; R317-E361 IonicContact CZ-OE2 2.8Å; R317-E361 IonicContact NH1-OE1 3.72Å; R317-E361 IonicContact NH1-OE2 2.97Å; R317-E361 PolarHBondContact NH1-OE2 3.21Å; R317-E361 IonicContact NH2-OE2 3.93Å; F357-E361 WeakPolarHBondContact CA-OE2 3.42Å; F357-E361 HydrophobicContact CB-CB 4.37Å; F357-E361 HydrophobicContact CD1-CB 4.36Å; K358-E361 HydrophobicContact CB-CG 4.15Å; K358-E361 PolarHBondContact N-OE2 2.71Å; K358-E361 WeakPolarHBondContact O-CB 3.47Å; K358-E361 PolarHBondContact O-N 3.09Å; E361-H363 PolarHBondContact O-N 3Å; E361-H363 VanDerWaalsContact O-N 3.15Å; E361-L364 WeakPolarHBondContact O-CB 3.45Å; E361-L364 PolarHBondContact O-N 2.73Å; E361-L364 VanDerWaalsContact O-N 3.14Å |
| 362 | E | 72.3 | Confident | 80.9 | Confident | 136 Ų | 136 | 81.9 Ų | 81.9 | 64% | 0.636 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -60.4 | -21.2 | 177.4 | -55.2 | -179.8 | -159.8 | 0 | 0 | 113.9 | F357 G360 | F357-E362 HydrophobicContact CB-CG 4.18Å; F357-E362 HydrophobicContact CG-CG 4.46Å; G360-E362 PolarHBondContact O-N 2.52Å |
| 363 | H | 77.6 | Confident | 81 | Confident | 166 Ų | 166 | 86.2 Ų | 86.2 | 77% | 0.769 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -92.3 | -6.6 | -178.7 | -57.6 | 91.8 | 0 | 0 | 0 | 113.2 | G360 E361 Q365 | G360-H363 PolarHBondContact O-N 3.11Å; G360-H363 VanDerWaalsContact O-N 3.1Å; G360-H363 PolarHBondContact O-ND1 3.12Å; E361-H363 PolarHBondContact O-N 3Å; E361-H363 VanDerWaalsContact O-N 3.15Å; H363-Q365 PolarHBondContact O-N 3.42Å |
| 364 | L | 84.4 | Confident | 81.1 | Confident | 86 Ų | 86 | 85.3 Ų | 85.3 | 45% | 0.45 | 43% | 0.427 | S | S | . | . | trans | -76.7 | 120.3 | 178.5 | -68.4 | 171.3 | 0 | 0 | 0 | 109.8 | L314 E361 A366 V367 D368 | L314-L364 HydrophobicContact CD2-CD1 3.9Å; E361-L364 WeakPolarHBondContact O-CB 3.45Å; E361-L364 PolarHBondContact O-N 2.73Å; E361-L364 VanDerWaalsContact O-N 3.14Å; L364-A366 PolarHBondContact O-N 3.05Å; L364-V367 HydrophobicContact CB-CB 4.13Å; L364-V367 HydrophobicContact CB-CG2 3.76Å; L364-V367 HydrophobicContact CD1-CG2 4.04Å; L364-V367 WeakPolarHBondContact O-CB 3.44Å; L364-V367 PolarHBondContact O-N 2.91Å; L364-D368 PolarHBondContact O-N 3.24Å; L364-D368 VanDerWaalsContact O-N 3.14Å | ||
| 365 | Q | 85.8 | Confident | 81.5 | Confident | 144 Ų | 144 | 84.5 Ų | 84.5 | 67% | 0.673 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -54.4 | -39.3 | 177.2 | -177 | -180 | -13.8 | 0 | 0 | 112.3 | H363 V367 D368 E369 | H363-Q365 PolarHBondContact O-N 3.42Å; Q365-V367 VanDerWaalsContact C-N 3.3Å; Q365-V367 PolarHBondContact O-N 3.39Å; Q365-D368 PolarHBondContact O-N 3.13Å; Q365-E369 HydrophobicContact CG-CG 4.35Å; Q365-E369 WeakPolarHBondContact CG-OE1 3.46Å; Q365-E369 PolarHBondContact NE2-OE1 3.42Å; Q365-E369 WeakPolarHBondContact O-CB 3.45Å; Q365-E369 WeakPolarHBondContact O-CG 3.26Å; Q365-E369 PolarHBondContact O-N 2.92Å |
| 366 | A | 84.5 | Confident | 82 | Confident | 70 Ų | 70 | 87.3 Ų | 87.3 | 58% | 0.579 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.3 | -34 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L364 R370 | L364-A366 PolarHBondContact O-N 3.05Å; A366-R370 VanDerWaalsContact O-CB 3.3Å; A366-R370 WeakPolarHBondContact O-CB 3.43Å; A366-R370 PolarHBondContact O-N 3.45Å |
| 367 | V | 84.8 | Confident | 82.8 | Confident | 6 Ų | 6 | 80 Ų | 80 | 4% | 0.036 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -70.5 | -43.9 | 176 | 175.1 | 0 | 0 | 0 | 0 | 110 | L314 L318 F357 L364 Q365 R370 M371 | L314-V367 HydrophobicContact CD1-CG2 3.98Å; L314-V367 HydrophobicContact CD2-CG2 3.71Å; L314-V367 HydrophobicContact CG-CG2 4.26Å; L318-V367 HydrophobicContact CD1-CB 4.4Å; L318-V367 HydrophobicContact CD1-CG1 4.06Å; L318-V367 HydrophobicContact CD1-CG2 4.05Å; F357-V367 HydrophobicContact CD1-CG1 4.36Å; F357-V367 HydrophobicContact CE1-CG1 3.84Å; L364-V367 HydrophobicContact CB-CB 4.13Å; L364-V367 HydrophobicContact CB-CG2 3.76Å; L364-V367 HydrophobicContact CD1-CG2 4.04Å; L364-V367 WeakPolarHBondContact O-CB 3.44Å; L364-V367 PolarHBondContact O-N 2.91Å; Q365-V367 VanDerWaalsContact C-N 3.3Å; Q365-V367 PolarHBondContact O-N 3.39Å; V367-R370 PolarHBondContact O-N 3.48Å; V367-M371 HydrophobicContact CG1-CG 4.21Å; V367-M371 VanDerWaalsContact O-CB 3.27Å; V367-M371 WeakPolarHBondContact O-CB 3.15Å; V367-M371 VanDerWaalsContact O-CG 3.23Å; V367-M371 WeakPolarHBondContact O-CG 3.34Å; V367-M371 PolarHBondContact O-N 3.5Å |
| 368 | D | 84.2 | Confident | 83.9 | Confident | 92 Ų | 92 | 79.5 Ų | 79.5 | 49% | 0.492 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 177.3 | -170.4 | 48 | 0 | 0 | 0 | 111.8 | L364 Q365 R370 M371 Q372 | L364-D368 PolarHBondContact O-N 3.24Å; L364-D368 VanDerWaalsContact O-N 3.14Å; Q365-D368 PolarHBondContact O-N 3.13Å; D368-R370 PolarHBondContact O-N 3.32Å; D368-M371 PolarHBondContact O-N 3.17Å; D368-Q372 VanDerWaalsContact O-CB 3.32Å; D368-Q372 WeakPolarHBondContact O-CB 3.27Å; D368-Q372 PolarHBondContact O-N 3.23Å |
| 369 | E | 87.7 | Confident | 84.9 | Confident | 105 Ų | 105 | 76.7 Ų | 76.7 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.4 | -47.8 | 174.6 | -74.7 | 175.3 | -173.9 | 0 | 0 | 111.4 | Q365 Q372 E373 | Q365-E369 HydrophobicContact CG-CG 4.35Å; Q365-E369 WeakPolarHBondContact CG-OE1 3.46Å; Q365-E369 PolarHBondContact NE2-OE1 3.42Å; Q365-E369 WeakPolarHBondContact O-CB 3.45Å; Q365-E369 WeakPolarHBondContact O-CG 3.26Å; Q365-E369 PolarHBondContact O-N 2.92Å; E369-Q372 WeakPolarHBondContact O-CB 3.45Å; E369-Q372 PolarHBondContact O-N 3.44Å; E369-E373 PolarHBondContact O-N 3.09Å |
| 370 | R | 85.7 | Confident | 86 | Confident | 61 Ų | 61 | 70.6 Ų | 70.6 | 23% | 0.23 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 179.6 | -173.8 | 53.9 | 175.9 | 179.5 | -6 | 112.6 | L318 D319 A366 V367 D368 Q372 E373 L374 | L318-R370 HydrophobicContact CB-CG 3.97Å; L318-R370 PolarHBondContact O-NE 2.78Å; L318-R370 PolarHBondContact O-NH2 3.39Å; D319-R370 IonicContact OD1-NH2 3.17Å; A366-R370 VanDerWaalsContact O-CB 3.3Å; A366-R370 WeakPolarHBondContact O-CB 3.43Å; A366-R370 PolarHBondContact O-N 3.45Å; V367-R370 PolarHBondContact O-N 3.48Å; D368-R370 PolarHBondContact O-N 3.32Å; R370-Q372 VanDerWaalsContact C-N 3.27Å; R370-Q372 PolarHBondContact O-N 2.91Å; R370-E373 WeakPolarHBondContact CD-OE2 3.23Å; R370-E373 IonicContact CZ-OE2 2.7Å; R370-E373 IonicContact NH1-OE2 3.38Å; R370-E373 PolarHBondContact NH1-OE2 3.42Å; R370-E373 WeakPolarHBondContact O-CB 3.32Å; R370-E373 PolarHBondContact O-N 3.32Å; R370-L374 WeakPolarHBondContact O-CG 3.48Å; R370-L374 PolarHBondContact O-N 2.72Å |
| 371 | M | 86.7 | Confident | 87 | Confident | 12 Ų | 12 | 69 Ų | 69 | 6% | 0.059 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.4 | -35 | 173.8 | -75.6 | -62 | -70.5 | 0 | 0 | 111.6 | L318 L353 F357 V367 D368 L374 R375 | L318-M371 HydrophobicContact CD2-CG 4.45Å; L318-M371 HydrophobicContact CD2-SD 3.83Å; L353-M371 HydrophobicContact CD2-CE 4.29Å; F357-M371 HydrophobicContact CE2-CE 4.34Å; F357-M371 HydrophobicContact CZ-CE 3.9Å; F357-M371 HydrophobicContact CZ-CG 4.05Å; F357-M371 HydrophobicContact CZ-SD 3.8Å; V367-M371 HydrophobicContact CG1-CG 4.21Å; V367-M371 VanDerWaalsContact O-CB 3.27Å; V367-M371 WeakPolarHBondContact O-CB 3.15Å; V367-M371 VanDerWaalsContact O-CG 3.23Å; V367-M371 WeakPolarHBondContact O-CG 3.34Å; V367-M371 PolarHBondContact O-N 3.5Å; D368-M371 PolarHBondContact O-N 3.17Å; M371-L374 PolarHBondContact O-N 3.17Å; M371-L374 HydrophobicContact SD-CD1 3.84Å; M371-R375 WeakPolarHBondContact O-CB 3.47Å; M371-R375 VanDerWaalsContact O-CG 3.24Å; M371-R375 WeakPolarHBondContact O-CG 3.33Å; M371-R375 PolarHBondContact O-N 3.17Å |
| 372 | Q | 89.5 | Confident | 87.8 | Confident | 81 Ų | 81 | 68.3 Ų | 68.3 | 38% | 0.379 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | 173.9 | -170.8 | 57.5 | 35.4 | 0 | 0 | 111.6 | D368 E369 R370 R375 N376 | D368-Q372 VanDerWaalsContact O-CB 3.32Å; D368-Q372 WeakPolarHBondContact O-CB 3.27Å; D368-Q372 PolarHBondContact O-N 3.23Å; E369-Q372 WeakPolarHBondContact O-CB 3.45Å; E369-Q372 PolarHBondContact O-N 3.44Å; R370-Q372 VanDerWaalsContact C-N 3.27Å; R370-Q372 PolarHBondContact O-N 2.91Å; Q372-R375 PolarHBondContact O-N 2.92Å; Q372-N376 PolarHBondContact NE2-OD1 3.16Å; Q372-N376 WeakPolarHBondContact O-CB 3.11Å; Q372-N376 PolarHBondContact O-N 3.4Å; Q372-N376 PolarHBondContact O-ND2 3.24Å; Q372-N376 PolarHBondContact O-OD1 3.28Å |
| 373 | E | 87.5 | Confident | 88.8 | Confident | 105 Ų | 105 | 65.8 Ų | 65.8 | 49% | 0.491 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 171.7 | -68.5 | 178.4 | 169.8 | 0 | 0 | 112.4 | E369 R370 R375 N376 L377 | E369-E373 PolarHBondContact O-N 3.09Å; R370-E373 WeakPolarHBondContact CD-OE2 3.23Å; R370-E373 IonicContact CZ-OE2 2.7Å; R370-E373 IonicContact NH1-OE2 3.38Å; R370-E373 PolarHBondContact NH1-OE2 3.42Å; R370-E373 WeakPolarHBondContact O-CB 3.32Å; R370-E373 PolarHBondContact O-N 3.32Å; E373-R375 VanDerWaalsContact C-N 3.35Å; E373-R375 PolarHBondContact O-N 3.38Å; E373-N376 WeakPolarHBondContact O-CB 3.37Å; E373-N376 PolarHBondContact O-N 3.49Å; E373-L377 PolarHBondContact O-N 3.35Å |
| 374 | L | 89.3 | Confident | 89.4 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 175.3 | -68.3 | 176.5 | 0 | 0 | 0 | 111.9 | L318 V320 L349 L352 L353 R370 M371 L377 R378 | L318-L374 HydrophobicContact CD2-CD1 4.46Å; V320-L374 HydrophobicContact CG2-CD2 3.28Å; L349-L374 HydrophobicContact CD1-CB 4.47Å; L349-L374 HydrophobicContact CD1-CD2 3.99Å; L352-L374 HydrophobicContact CB-CD1 4.25Å; L352-L374 HydrophobicContact CD1-CD2 4.25Å; L353-L374 HydrophobicContact CD2-CB 3.76Å; R370-L374 WeakPolarHBondContact O-CG 3.48Å; R370-L374 PolarHBondContact O-N 2.72Å; M371-L374 PolarHBondContact O-N 3.17Å; M371-L374 HydrophobicContact SD-CD1 3.84Å; L374-L377 PolarHBondContact O-N 3.15Å; L374-R378 WeakPolarHBondContact O-CB 3.49Å; L374-R378 PolarHBondContact O-N 2.88Å |
| 375 | R | 91.1 | Very high | 89.8 | Confident | 92 Ų | 92 | 57.2 Ų | 57.2 | 35% | 0.347 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 174 | -71.2 | 168.1 | -173.3 | 161.7 | 4.2 | 111.4 | L353 M371 Q372 E373 L377 R378 D379 | L353-R375 HydrophobicContact CD2-CG 4.34Å; M371-R375 WeakPolarHBondContact O-CB 3.47Å; M371-R375 VanDerWaalsContact O-CG 3.24Å; M371-R375 WeakPolarHBondContact O-CG 3.33Å; M371-R375 PolarHBondContact O-N 3.17Å; Q372-R375 PolarHBondContact O-N 2.92Å; E373-R375 VanDerWaalsContact C-N 3.35Å; E373-R375 PolarHBondContact O-N 3.38Å; R375-L377 VanDerWaalsContact C-N 3.34Å; R375-L377 PolarHBondContact O-N 2.93Å; R375-R378 WeakPolarHBondContact O-CB 3.49Å; R375-R378 PolarHBondContact O-N 3.22Å; R375-D379 WeakPolarHBondContact O-CB 3.38Å; R375-D379 PolarHBondContact O-N 3.01Å |
| 376 | N | 92.5 | Very high | 90.2 | Very high | 86 Ų | 86 | 50.9 Ų | 50.9 | 46% | 0.46 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 175.6 | -66.8 | -18.6 | 0 | 0 | 0 | 111.2 | Q372 E373 D379 S380 | Q372-N376 PolarHBondContact NE2-OD1 3.16Å; Q372-N376 WeakPolarHBondContact O-CB 3.11Å; Q372-N376 PolarHBondContact O-N 3.4Å; Q372-N376 PolarHBondContact O-ND2 3.24Å; Q372-N376 PolarHBondContact O-OD1 3.28Å; E373-N376 WeakPolarHBondContact O-CB 3.37Å; E373-N376 PolarHBondContact O-N 3.49Å; N376-D379 PolarHBondContact O-N 3.5Å; N376-S380 VanDerWaalsContact O-CB 3.3Å; N376-S380 WeakPolarHBondContact O-CB 3.36Å; N376-S380 PolarHBondContact O-N 3.5Å |
| 377 | L | 90.8 | Very high | 90.6 | Very high | 24 Ų | 24 | 48.8 Ų | 48.8 | 13% | 0.126 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.3 | -45.7 | 175.1 | -177 | 62.5 | 0 | 0 | 0 | 111.5 | L328 L349 E373 L374 R375 D379 S380 F381 | L328-L377 HydrophobicContact CB-CD1 4.11Å; L328-L377 HydrophobicContact CB-CG 4.45Å; L328-L377 HydrophobicContact CD1-CD2 3.92Å; L328-L377 HydrophobicContact CD1-CG 4.31Å; L349-L377 HydrophobicContact CD1-CD2 4.41Å; E373-L377 PolarHBondContact O-N 3.35Å; L374-L377 PolarHBondContact O-N 3.15Å; R375-L377 VanDerWaalsContact C-N 3.34Å; R375-L377 PolarHBondContact O-N 2.93Å; L377-D379 VanDerWaalsContact C-N 3.33Å; L377-D379 PolarHBondContact O-N 3.15Å; L377-S380 PolarHBondContact O-N 2.94Å; L377-F381 WeakPolarHBondContact O-CB 3.45Å; L377-F381 PolarHBondContact O-N 3Å |
| 378 | R | 93.3 | Very high | 90.9 | Very high | 51 Ų | 51 | 51 Ų | 51 | 19% | 0.192 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.3 | -48.9 | 172.8 | 179 | -157.1 | 68.2 | -166.7 | -5.2 | 111.1 | L349 L353 L374 R375 F381 A382 W465 N469 | L349-R378 HydrophobicContact CD2-CB 4Å; L353-R378 HydrophobicContact CD1-CB 4.14Å; L353-R378 HydrophobicContact CD1-CG 4.13Å; L374-R378 WeakPolarHBondContact O-CB 3.49Å; L374-R378 PolarHBondContact O-N 2.88Å; R375-R378 WeakPolarHBondContact O-CB 3.49Å; R375-R378 PolarHBondContact O-N 3.22Å; R378-F381 PolarHBondContact O-N 3.31Å; R378-A382 WeakPolarHBondContact O-CB 3.46Å; R378-A382 PolarHBondContact O-N 3.01Å; R378-W465 HydrophobicContact CG-CH2 3.73Å; R378-W465 HydrophobicContact CG-CZ2 3.88Å; R378-N469 HydrophobicContact CG-CB 4.27Å |
| 379 | D | 93.9 | Very high | 91.3 | Very high | 41 Ų | 41 | 46.6 Ų | 46.6 | 22% | 0.219 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.3 | -38.7 | -176.3 | -68.4 | -16.4 | 0 | 0 | 0 | 111.7 | R375 N376 L377 T383 R470 | R375-D379 WeakPolarHBondContact O-CB 3.38Å; R375-D379 PolarHBondContact O-N 3.01Å; N376-D379 PolarHBondContact O-N 3.5Å; L377-D379 VanDerWaalsContact C-N 3.33Å; L377-D379 PolarHBondContact O-N 3.15Å; D379-T383 VanDerWaalsContact O-CB 3.28Å; D379-T383 WeakPolarHBondContact O-CB 3.38Å; D379-T383 PolarHBondContact O-N 3.22Å; D379-T383 PolarHBondContact O-OG1 2.93Å; D379-R470 WeakPolarHBondContact OD1-CD 3.46Å; D379-R470 IonicContact OD1-CZ 3.22Å; D379-R470 IonicContact OD1-NH1 3.81Å; D379-R470 PolarHBondContact OD1-NH1 3.39Å; D379-R470 IonicContact OD2-NH1 3.9Å |
| 380 | S | 92.8 | Very high | 91.5 | Very high | 72 Ų | 72 | 43.1 Ų | 43.1 | 50% | 0.503 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.4 | -49.9 | 173.5 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | N376 L377 T383 K384 | N376-S380 VanDerWaalsContact O-CB 3.3Å; N376-S380 WeakPolarHBondContact O-CB 3.36Å; N376-S380 PolarHBondContact O-N 3.5Å; L377-S380 PolarHBondContact O-N 2.94Å; S380-T383 PolarHBondContact O-N 2.94Å; S380-K384 WeakPolarHBondContact O-CB 3.49Å; S380-K384 PolarHBondContact O-N 2.68Å |
| 381 | F | 94 | Very high | 91.8 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.5 | -44.1 | 178.3 | 178.1 | -107.4 | 0 | 0 | 0 | 112 | L328 C342 A346 L377 R378 T383 K384 L385 L461 W465 | L328-F381 HydrophobicContact CB-CD2 4.41Å; L328-F381 HydrophobicContact CD2-CB 4.37Å; L328-F381 HydrophobicContact CD2-CD1 3.93Å; L328-F381 HydrophobicContact CD2-CD2 3.75Å; L328-F381 HydrophobicContact CD2-CE1 4.13Å; L328-F381 HydrophobicContact CD2-CE2 3.95Å; L328-F381 HydrophobicContact CD2-CG 3.73Å; L328-F381 HydrophobicContact CD2-CZ 4.14Å; L328-F381 WeakPolarHBondContact O-CD2 3.35Å; C342-F381 HydrophobicContact CB-CE2 4.28Å; C342-F381 HydrophobicContact CB-CZ 4.12Å; A346-F381 HydrophobicContact CB-CE1 3.92Å; A346-F381 HydrophobicContact CB-CZ 4.43Å; L377-F381 WeakPolarHBondContact O-CB 3.45Å; L377-F381 PolarHBondContact O-N 3Å; R378-F381 PolarHBondContact O-N 3.31Å; F381-T383 VanDerWaalsContact C-N 3.32Å; F381-T383 PolarHBondContact O-N 3.47Å; F381-K384 WeakPolarHBondContact O-CB 3.32Å; F381-K384 PolarHBondContact O-N 3.22Å; F381-L385 WeakPolarHBondContact O-CB 3.43Å; F381-L385 PolarHBondContact O-N 3.5Å; F381-L461 HydrophobicContact CE1-CD2 4.37Å; F381-L461 HydrophobicContact CZ-CD2 4.24Å; F381-W465 HydrophobicContact CD1-CE3 4.33Å; F381-W465 AromaticContact CD1-CH2 3.6Å; F381-W465 HydrophobicContact CD1-CH2 3.6Å; F381-W465 HydrophobicContact CD1-CZ2 4.12Å; F381-W465 AromaticContact CD1-CZ3 3.71Å; F381-W465 HydrophobicContact CD1-CZ3 3.71Å; F381-W465 HydrophobicContact CE1-CE3 4.21Å; F381-W465 HydrophobicContact CE1-CH2 4.25Å; F381-W465 HydrophobicContact CE1-CZ3 4.04Å |
| 382 | A | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.6 | -40.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R378 S386 W465 L466 R470 L473 | R378-A382 WeakPolarHBondContact O-CB 3.46Å; R378-A382 PolarHBondContact O-N 3.01Å; A382-S386 VanDerWaalsContact O-CB 3.27Å; A382-S386 WeakPolarHBondContact O-CB 3.4Å; A382-S386 PolarHBondContact O-N 3.33Å; A382-W465 HydrophobicContact CB-CH2 4.15Å; A382-W465 HydrophobicContact CB-CZ3 3.86Å; A382-L466 HydrophobicContact CB-CD1 3.81Å; A382-R470 HydrophobicContact CB-CB 4.24Å; A382-R470 HydrophobicContact CB-CG 3.8Å; A382-L473 HydrophobicContact CB-CD1 3.74Å |
| 383 | T | 93.9 | Very high | 91.9 | Very high | 83 Ų | 83 | 40.8 Ų | 40.8 | 51% | 0.509 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.1 | -42.7 | 175.5 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | D379 S380 F381 S386 G387 | D379-T383 VanDerWaalsContact O-CB 3.28Å; D379-T383 WeakPolarHBondContact O-CB 3.38Å; D379-T383 PolarHBondContact O-N 3.22Å; D379-T383 PolarHBondContact O-OG1 2.93Å; S380-T383 PolarHBondContact O-N 2.94Å; F381-T383 VanDerWaalsContact C-N 3.32Å; F381-T383 PolarHBondContact O-N 3.47Å; T383-S386 PolarHBondContact O-N 2.87Å; T383-G387 PolarHBondContact O-N 3.33Å |
| 384 | K | 91.4 | Very high | 92 | Very high | 72 Ų | 72 | 39.1 Ų | 39.1 | 31% | 0.313 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.2 | -45.2 | 175.8 | -176.5 | -178.8 | 176.4 | -172 | 0 | 112 | T329 G331 L333 S380 F381 G387 F388 | T329-K384 PolarHBondContact O-NZ 2.9Å; G331-K384 PolarHBondContact O-NZ 3.31Å; L333-K384 HydrophobicContact CD1-CG 4.48Å; S380-K384 WeakPolarHBondContact O-CB 3.49Å; S380-K384 PolarHBondContact O-N 2.68Å; F381-K384 WeakPolarHBondContact O-CB 3.32Å; F381-K384 PolarHBondContact O-N 3.22Å; K384-G387 PolarHBondContact O-N 3.44Å; K384-F388 WeakPolarHBondContact O-CB 3.25Å; K384-F388 PolarHBondContact O-N 2.94Å |
| 385 | L | 92.9 | Very high | 92 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.8 | -47.8 | 176.3 | 176.3 | 64.1 | 0 | 0 | 0 | 111.4 | L333 F381 G387 F388 V389 L461 | L333-L385 HydrophobicContact CD1-CD1 4.26Å; F381-L385 WeakPolarHBondContact O-CB 3.43Å; F381-L385 PolarHBondContact O-N 3.5Å; L385-G387 VanDerWaalsContact C-N 3.33Å; L385-G387 PolarHBondContact O-N 3.33Å; L385-F388 PolarHBondContact O-N 3.11Å; L385-V389 HydrophobicContact CD1-CG2 4.13Å; L385-V389 HydrophobicContact CG-CG2 4.5Å; L385-V389 VanDerWaalsContact O-CG2 3.31Å; L385-V389 WeakPolarHBondContact O-CG2 3.23Å; L385-V389 PolarHBondContact O-N 2.95Å; L385-L461 HydrophobicContact CD1-CB 4.25Å; L385-L461 HydrophobicContact CD1-CD1 4.15Å; L385-L461 HydrophobicContact CD2-CB 3.78Å |
| 386 | S | 93.3 | Very high | 91.8 | Very high | 10 Ų | 10 | 42.1 Ų | 42.1 | 7% | 0.07 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 177.1 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | A382 T383 V389 N390 | A382-S386 VanDerWaalsContact O-CB 3.27Å; A382-S386 WeakPolarHBondContact O-CB 3.4Å; A382-S386 PolarHBondContact O-N 3.33Å; T383-S386 PolarHBondContact O-N 2.87Å; S386-V389 PolarHBondContact O-N 3.23Å; S386-N390 VanDerWaalsContact O-CB 3.27Å; S386-N390 WeakPolarHBondContact O-CB 3.45Å; S386-N390 PolarHBondContact O-N 3.04Å; S386-N390 PolarHBondContact O-ND2 3.03Å; S386-N390 PolarHBondContact OG-ND2 3.39Å |
| 387 | G | 93.1 | Very high | 91.5 | Very high | 27 Ų | 27 | 39.3 Ų | 39.3 | 28% | 0.278 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -56.7 | -51.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T383 K384 L385 V389 N390 D391 | T383-G387 PolarHBondContact O-N 3.33Å; K384-G387 PolarHBondContact O-N 3.44Å; L385-G387 VanDerWaalsContact C-N 3.33Å; L385-G387 PolarHBondContact O-N 3.33Å; G387-V389 PolarHBondContact O-N 3.35Å; G387-N390 PolarHBondContact O-N 3.49Å; G387-D391 WeakPolarHBondContact O-CB 3.26Å; G387-D391 PolarHBondContact O-N 3.2Å |
| 388 | F | 91.5 | Very high | 91.2 | Very high | 52 Ų | 52 | 41.9 Ų | 41.9 | 23% | 0.228 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.4 | -45.5 | 179.4 | -179.5 | -99.7 | 0 | 0 | 0 | 113.2 | L333 K384 L385 D391 A392 L458 | L333-F388 HydrophobicContact CB-CD1 3.83Å; L333-F388 HydrophobicContact CB-CD2 3.97Å; L333-F388 HydrophobicContact CB-CE1 3.91Å; L333-F388 HydrophobicContact CB-CE2 4.05Å; L333-F388 HydrophobicContact CB-CG 3.86Å; L333-F388 HydrophobicContact CB-CZ 4.03Å; L333-F388 HydrophobicContact CD1-CB 3.88Å; L333-F388 HydrophobicContact CD1-CD1 4.3Å; L333-F388 HydrophobicContact CD1-CG 4.05Å; L333-F388 VanDerWaalsContact O-CE1 3.27Å; L333-F388 WeakPolarHBondContact O-CE1 3.03Å; L333-F388 WeakPolarHBondContact O-CZ 3.44Å; K384-F388 WeakPolarHBondContact O-CB 3.25Å; K384-F388 PolarHBondContact O-N 2.94Å; L385-F388 PolarHBondContact O-N 3.11Å; F388-D391 PolarHBondContact O-N 2.91Å; F388-A392 WeakPolarHBondContact O-CB 3.48Å; F388-A392 PolarHBondContact O-N 3.46Å; F388-L458 HydrophobicContact CD1-CD1 4.16Å; F388-L458 HydrophobicContact CE1-CD1 3.96Å; F388-L458 HydrophobicContact CE1-CD2 4.48Å |
| 389 | V | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.9 | -45 | 179 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | L385 S386 G387 A392 M393 L458 V462 I477 F568 | L385-V389 HydrophobicContact CD1-CG2 4.13Å; L385-V389 HydrophobicContact CG-CG2 4.5Å; L385-V389 VanDerWaalsContact O-CG2 3.31Å; L385-V389 WeakPolarHBondContact O-CG2 3.23Å; L385-V389 PolarHBondContact O-N 2.95Å; S386-V389 PolarHBondContact O-N 3.23Å; G387-V389 PolarHBondContact O-N 3.35Å; V389-A392 PolarHBondContact O-N 3.28Å; V389-M393 HydrophobicContact CG1-CE 3.58Å; V389-M393 HydrophobicContact CG1-CG 4.45Å; V389-M393 HydrophobicContact CG1-SD 4.14Å; V389-M393 WeakPolarHBondContact O-CB 3.39Å; V389-M393 VanDerWaalsContact O-CG 3.3Å; V389-M393 WeakPolarHBondContact O-CG 3.43Å; V389-M393 PolarHBondContact O-N 3.47Å; V389-L458 HydrophobicContact CG2-CD1 3.86Å; V389-V462 HydrophobicContact CG2-CG2 3.88Å; V389-I477 HydrophobicContact CB-CD1 4.27Å; V389-I477 HydrophobicContact CG1-CD1 4.25Å; V389-I477 HydrophobicContact CG1-CG2 3.71Å; V389-F568 HydrophobicContact CG1-CZ 4.45Å |
| 390 | N | 92.1 | Very high | 90.1 | Very high | 31 Ų | 31 | 40.6 Ų | 40.6 | 17% | 0.166 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 177.8 | -71.9 | -30.2 | 0 | 0 | 0 | 111.5 | S386 G387 M393 L394 | S386-N390 VanDerWaalsContact O-CB 3.27Å; S386-N390 WeakPolarHBondContact O-CB 3.45Å; S386-N390 PolarHBondContact O-N 3.04Å; S386-N390 PolarHBondContact O-ND2 3.03Å; S386-N390 PolarHBondContact OG-ND2 3.39Å; G387-N390 PolarHBondContact O-N 3.49Å; N390-M393 PolarHBondContact O-N 3.28Å; N390-L394 WeakPolarHBondContact O-CB 3.34Å; N390-L394 VanDerWaalsContact O-CG 3.23Å; N390-L394 WeakPolarHBondContact O-CG 3.31Å; N390-L394 PolarHBondContact O-N 3.49Å |
| 391 | D | 91.4 | Very high | 89.5 | Confident | 97 Ų | 97 | 38.6 Ų | 38.6 | 52% | 0.519 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.3 | -40.6 | 176.3 | -72.7 | -18.6 | 0 | 0 | 0 | 111.6 | G387 F388 R395 | G387-D391 WeakPolarHBondContact O-CB 3.26Å; G387-D391 PolarHBondContact O-N 3.2Å; F388-D391 PolarHBondContact O-N 2.91Å; D391-R395 WeakPolarHBondContact O-CB 3.45Å; D391-R395 VanDerWaalsContact O-CG 3.28Å; D391-R395 WeakPolarHBondContact O-CG 3.34Å; D391-R395 PolarHBondContact O-N 2.7Å |
| 392 | A | 89.1 | Confident | 88.7 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 5% | 0.05 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -51.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | F388 V389 L394 R395 Y396 | F388-A392 WeakPolarHBondContact O-CB 3.48Å; F388-A392 PolarHBondContact O-N 3.46Å; V389-A392 PolarHBondContact O-N 3.28Å; A392-L394 VanDerWaalsContact C-N 3.33Å; A392-L394 PolarHBondContact O-N 3.49Å; A392-R395 WeakPolarHBondContact O-CB 3.44Å; A392-R395 PolarHBondContact O-N 2.91Å; A392-R395 VanDerWaalsContact O-N 3.16Å; A392-Y396 HydrophobicContact CB-CE2 4.26Å; A392-Y396 WeakPolarHBondContact O-CD2 3.49Å; A392-Y396 PolarHBondContact O-N 3.42Å |
| 393 | M | 89.7 | Confident | 87.8 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.7 | -41.6 | 178.1 | -71.5 | -179 | 179.8 | 0 | 0 | 112.5 | V389 N390 Y396 A397 L455 I477 Y481 F568 | V389-M393 HydrophobicContact CG1-CE 3.58Å; V389-M393 HydrophobicContact CG1-CG 4.45Å; V389-M393 HydrophobicContact CG1-SD 4.14Å; V389-M393 WeakPolarHBondContact O-CB 3.39Å; V389-M393 VanDerWaalsContact O-CG 3.3Å; V389-M393 WeakPolarHBondContact O-CG 3.43Å; V389-M393 PolarHBondContact O-N 3.47Å; N390-M393 PolarHBondContact O-N 3.28Å; M393-Y396 PolarHBondContact O-N 2.88Å; M393-A397 VanDerWaalsContact O-CB 3.24Å; M393-A397 WeakPolarHBondContact O-CB 3.48Å; M393-A397 PolarHBondContact O-N 3Å; M393-L455 HydrophobicContact CE-CD1 4.2Å; M393-L455 HydrophobicContact CG-CD1 4.4Å; M393-I477 HydrophobicContact CE-CG2 3.71Å; M393-I477 HydrophobicContact SD-CG2 4.29Å; M393-Y481 HydrophobicContact CE-CD2 3.62Å; M393-Y481 HydrophobicContact CE-CG 4.16Å; M393-Y481 HydrophobicContact CG-CD2 4.45Å; M393-Y481 HydrophobicContact SD-CD2 3.92Å; M393-Y481 HydrophobicContact SD-CG 4.41Å; M393-F568 HydrophobicContact CE-CE1 3.82Å; M393-F568 HydrophobicContact CE-CZ 4.2Å |
| 394 | L | 89.4 | Confident | 86.7 | Confident | 71 Ų | 71 | 40.1 Ų | 40.1 | 37% | 0.372 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 175.8 | -75.3 | 166.2 | 0 | 0 | 0 | 111.9 | N390 A392 A397 S398 M480 K484 | N390-L394 WeakPolarHBondContact O-CB 3.34Å; N390-L394 VanDerWaalsContact O-CG 3.23Å; N390-L394 WeakPolarHBondContact O-CG 3.31Å; N390-L394 PolarHBondContact O-N 3.49Å; A392-L394 VanDerWaalsContact C-N 3.33Å; A392-L394 PolarHBondContact O-N 3.49Å; L394-A397 PolarHBondContact O-N 3.3Å; L394-S398 WeakPolarHBondContact O-CB 3.33Å; L394-S398 PolarHBondContact O-N 3.5Å; L394-S398 PolarHBondContact O-OG 3.48Å; L394-M480 HydrophobicContact CD2-SD 4.5Å; L394-K484 HydrophobicContact CD2-CD 4.28Å |
| 395 | R | 88.2 | Confident | 85.7 | Confident | 130 Ų | 130 | 43.1 Ų | 43.1 | 49% | 0.491 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.9 | -51.3 | 174.7 | -77.3 | -174.3 | -62.7 | 150.7 | 0.6 | 111.1 | D391 A392 A397 S398 Q399 | D391-R395 WeakPolarHBondContact O-CB 3.45Å; D391-R395 VanDerWaalsContact O-CG 3.28Å; D391-R395 WeakPolarHBondContact O-CG 3.34Å; D391-R395 PolarHBondContact O-N 2.7Å; A392-R395 WeakPolarHBondContact O-CB 3.44Å; A392-R395 PolarHBondContact O-N 2.91Å; A392-R395 VanDerWaalsContact O-N 3.16Å; R395-A397 PolarHBondContact O-N 2.97Å; R395-S398 PolarHBondContact O-N 3.36Å; R395-S398 PolarHBondContact O-OG 2.88Å; R395-Q399 WeakPolarHBondContact O-CG 3.27Å; R395-Q399 PolarHBondContact O-N 2.92Å |
| 396 | Y | 87.3 | Confident | 84.6 | Confident | 28 Ų | 28 | 46 Ų | 46 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63 | -41.6 | 178 | -67.5 | -68.3 | 0 | 0 | 0 | 112.1 | A392 M393 S398 Q399 L400 L447 Q451 D454 | A392-Y396 HydrophobicContact CB-CE2 4.26Å; A392-Y396 WeakPolarHBondContact O-CD2 3.49Å; A392-Y396 PolarHBondContact O-N 3.42Å; M393-Y396 PolarHBondContact O-N 2.88Å; Y396-S398 VanDerWaalsContact C-N 3.28Å; Y396-S398 PolarHBondContact O-N 3.02Å; Y396-Q399 PolarHBondContact O-N 3.37Å; Y396-L400 WeakPolarHBondContact O-CB 3.35Å; Y396-L400 VanDerWaalsContact O-CG 3.27Å; Y396-L400 WeakPolarHBondContact O-CG 3.42Å; Y396-L400 PolarHBondContact O-N 3.43Å; Y396-L447 HydrophobicContact CD1-CD2 4.49Å; Y396-Q451 VanDerWaalsContact CB-CD 3.41Å; Y396-Q451 HydrophobicContact CD1-CB 3.65Å; Y396-Q451 HydrophobicContact CD1-CG 4.07Å; Y396-Q451 HydrophobicContact CD2-CB 4Å; Y396-Q451 HydrophobicContact CD2-CG 3.5Å; Y396-Q451 HydrophobicContact CE1-CB 3.88Å; Y396-Q451 HydrophobicContact CE1-CG 4.46Å; Y396-Q451 HydrophobicContact CE2-CB 4.25Å; Y396-Q451 HydrophobicContact CE2-CG 3.99Å; Y396-Q451 HydrophobicContact CG-CB 3.72Å; Y396-Q451 HydrophobicContact CG-CG 3.58Å; Y396-D454 WeakPolarHBondContact OH-CB 3.44Å; Y396-D454 PolarHBondContact OH-OD2 3.09Å |
| 397 | A | 85.7 | Confident | 82.9 | Confident | 26 Ų | 26 | 46.5 Ų | 46.5 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.9 | -40.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | M393 L394 R395 G401 K484 | M393-A397 VanDerWaalsContact O-CB 3.24Å; M393-A397 WeakPolarHBondContact O-CB 3.48Å; M393-A397 PolarHBondContact O-N 3Å; L394-A397 PolarHBondContact O-N 3.3Å; R395-A397 PolarHBondContact O-N 2.97Å; A397-G401 PolarHBondContact O-N 3.47Å; A397-K484 HydrophobicContact CB-CB 3.93Å; A397-K484 HydrophobicContact CB-CD 4.37Å; A397-K484 HydrophobicContact CB-CG 4.33Å |
| 398 | S | 85.6 | Confident | 81 | Confident | 78 Ų | 78 | 49.9 Ų | 49.9 | 55% | 0.545 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 176 | 75 | 0 | 0 | 0 | 0 | 112.7 | L394 R395 Y396 G401 F402 | L394-S398 WeakPolarHBondContact O-CB 3.33Å; L394-S398 PolarHBondContact O-N 3.5Å; L394-S398 PolarHBondContact O-OG 3.48Å; R395-S398 PolarHBondContact O-N 3.36Å; R395-S398 PolarHBondContact O-OG 2.88Å; Y396-S398 VanDerWaalsContact C-N 3.28Å; Y396-S398 PolarHBondContact O-N 3.02Å; S398-G401 PolarHBondContact O-N 3.4Å; S398-F402 PolarHBondContact O-N 3Å |
| 399 | Q | 84.8 | Confident | 78.8 | Confident | 59 Ų | 59 | 51 Ų | 51 | 28% | 0.276 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 177.3 | -71.1 | 172.3 | -0.6 | 0 | 0 | 111.4 | R395 Y396 F402 V403 M410 L447 | R395-Q399 WeakPolarHBondContact O-CG 3.27Å; R395-Q399 PolarHBondContact O-N 2.92Å; Y396-Q399 PolarHBondContact O-N 3.37Å; Q399-F402 PolarHBondContact O-N 3.49Å; Q399-V403 WeakPolarHBondContact O-CG2 3.47Å; Q399-V403 PolarHBondContact O-N 3.4Å; Q399-M410 HydrophobicContact CG-CE 4.4Å; Q399-L447 HydrophobicContact CB-CD1 4.25Å; Q399-L447 HydrophobicContact CB-CD2 3.75Å |
| 400 | L | 79.7 | Confident | 76.2 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 174.1 | -71.6 | 166.2 | 0 | 0 | 0 | 110.9 | Y396 F402 V403 V404 A444 L447 Y448 F488 | Y396-L400 WeakPolarHBondContact O-CB 3.35Å; Y396-L400 VanDerWaalsContact O-CG 3.27Å; Y396-L400 WeakPolarHBondContact O-CG 3.42Å; Y396-L400 PolarHBondContact O-N 3.43Å; L400-F402 VanDerWaalsContact C-N 3.28Å; L400-F402 PolarHBondContact O-N 3.23Å; L400-V403 PolarHBondContact O-N 2.89Å; L400-V404 VanDerWaalsContact O-CB 3.31Å; L400-V404 WeakPolarHBondContact O-CB 3.49Å; L400-V404 WeakPolarHBondContact O-CG2 3.48Å; L400-V404 PolarHBondContact O-N 3.43Å; L400-A444 HydrophobicContact CD2-CB 4.28Å; L400-A444 WeakPolarHBondContact CD2-O 3.47Å; L400-L447 HydrophobicContact CD2-CB 4.34Å; L400-L447 HydrophobicContact CD2-CD2 3.57Å; L400-L447 HydrophobicContact CG-CD2 3.57Å; L400-Y448 HydrophobicContact CD1-CD2 3.44Å; L400-Y448 VanDerWaalsContact CD1-CD2 3.44Å; L400-Y448 HydrophobicContact CD1-CE2 3.62Å; L400-Y448 HydrophobicContact CD2-CD2 3.96Å; L400-Y448 HydrophobicContact CG-CD2 4.35Å; L400-F488 HydrophobicContact CB-CD2 4.43Å; L400-F488 HydrophobicContact CD2-CD2 4.34Å; L400-F488 HydrophobicContact CD2-CE1 4.42Å; L400-F488 HydrophobicContact CD2-CE2 3.92Å; L400-F488 HydrophobicContact CD2-CZ 3.94Å |
| 401 | G | 78.4 | Confident | 73.6 | Confident | 29 Ų | 29 | 55.7 Ų | 55.7 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.8 | -41 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A397 S398 N405 | A397-G401 PolarHBondContact O-N 3.47Å; S398-G401 PolarHBondContact O-N 3.4Å; G401-N405 VanDerWaalsContact O-CB 3.24Å; G401-N405 WeakPolarHBondContact O-CB 3.34Å; G401-N405 PolarHBondContact O-N 3.01Å; G401-N405 VanDerWaalsContact O-N 3.08Å; G401-N405 PolarHBondContact O-ND2 3.43Å |
| 402 | F | 78.7 | Confident | 70.9 | Confident | 91 Ų | 91 | 55.7 Ų | 55.7 | 40% | 0.399 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.2 | -49.7 | 176.4 | -178.8 | -93 | 0 | 0 | 0 | 112.4 | S398 Q399 L400 V404 N405 T406 M410 | S398-F402 PolarHBondContact O-N 3Å; Q399-F402 PolarHBondContact O-N 3.49Å; L400-F402 VanDerWaalsContact C-N 3.28Å; L400-F402 PolarHBondContact O-N 3.23Å; F402-V404 VanDerWaalsContact C-N 3.34Å; F402-V404 PolarHBondContact O-N 3.46Å; F402-N405 PolarHBondContact O-N 2.92Å; F402-T406 HydrophobicContact CD2-CG2 3.93Å; F402-T406 HydrophobicContact CE1-CG2 4.32Å; F402-T406 HydrophobicContact CE2-CG2 3.67Å; F402-T406 HydrophobicContact CG-CG2 4.37Å; F402-T406 HydrophobicContact CZ-CG2 3.89Å; F402-T406 WeakPolarHBondContact O-CB 3.24Å; F402-T406 WeakPolarHBondContact O-CG2 3.47Å; F402-T406 PolarHBondContact O-N 3.32Å; F402-T406 PolarHBondContact O-OG1 2.96Å; F402-M410 HydrophobicContact CD1-SD 3.48Å; F402-M410 WeakPolarHBondContact CD1-SD 3.29Å; F402-M410 HydrophobicContact CE1-SD 3.91Å; F402-M410 HydrophobicContact CG-SD 4.36Å |
| 403 | V | 75.9 | Confident | 68.6 | Low | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | -179.2 | 172.4 | 0 | 0 | 0 | 0 | 111 | Q399 L400 G407 M410 S440 V443 A444 | Q399-V403 WeakPolarHBondContact O-CG2 3.47Å; Q399-V403 PolarHBondContact O-N 3.4Å; L400-V403 PolarHBondContact O-N 2.89Å; V403-G407 WeakPolarHBondContact O-CA 3.5Å; V403-G407 PolarHBondContact O-N 3.11Å; V403-M410 HydrophobicContact CG2-CG 3.92Å; V403-M410 HydrophobicContact CG2-SD 4.4Å; V403-S440 WeakPolarHBondContact CG1-O 3.22Å; V403-S440 PolarHBondContact O-OG 3.02Å; V403-V443 HydrophobicContact CG1-CB 4.02Å; V403-V443 HydrophobicContact CG1-CG1 3.84Å; V403-V443 HydrophobicContact CG2-CG1 4.24Å; V403-A444 HydrophobicContact CG1-CB 4.03Å |
| 404 | V | 70.8 | Confident | 66.3 | Low | 26 Ų | 26 | 67.9 Ų | 67.9 | 16% | 0.158 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -69 | -35.8 | -179.3 | 172.1 | 0 | 0 | 0 | 0 | 112.1 | L400 F402 A444 F488 R491 | L400-V404 VanDerWaalsContact O-CB 3.31Å; L400-V404 WeakPolarHBondContact O-CB 3.49Å; L400-V404 WeakPolarHBondContact O-CG2 3.48Å; L400-V404 PolarHBondContact O-N 3.43Å; F402-V404 VanDerWaalsContact C-N 3.34Å; F402-V404 PolarHBondContact O-N 3.46Å; V404-A444 HydrophobicContact CG2-CB 4.24Å; V404-F488 HydrophobicContact CG2-CD2 4.01Å; V404-F488 HydrophobicContact CG2-CE2 3.9Å; V404-R491 HydrophobicContact CG1-CG 3.89Å |
| 405 | N | 70.4 | Confident | 63.8 | Low | 135 Ų | 135 | 67.7 Ų | 67.7 | 72% | 0.722 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -83.9 | -32.8 | -178.4 | -72 | -27.3 | 0 | 0 | 0 | 113.7 | G401 F402 | G401-N405 VanDerWaalsContact O-CB 3.24Å; G401-N405 WeakPolarHBondContact O-CB 3.34Å; G401-N405 PolarHBondContact O-N 3.01Å; G401-N405 VanDerWaalsContact O-N 3.08Å; G401-N405 PolarHBondContact O-ND2 3.43Å; F402-N405 PolarHBondContact O-N 2.92Å |
| 406 | T | 68.4 | Low | 60.9 | Low | 60 Ų | 60 | 69.4 Ų | 69.4 | 37% | 0.368 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -95.8 | -25.9 | -175.9 | 62.2 | 0 | 0 | 0 | 0 | 113.5 | F402 I408 | F402-T406 HydrophobicContact CD2-CG2 3.93Å; F402-T406 HydrophobicContact CE1-CG2 4.32Å; F402-T406 HydrophobicContact CE2-CG2 3.67Å; F402-T406 HydrophobicContact CG-CG2 4.37Å; F402-T406 HydrophobicContact CZ-CG2 3.89Å; F402-T406 WeakPolarHBondContact O-CB 3.24Å; F402-T406 WeakPolarHBondContact O-CG2 3.47Å; F402-T406 PolarHBondContact O-N 3.32Å; F402-T406 PolarHBondContact O-OG1 2.96Å; T406-I408 PolarHBondContact O-N 3.34Å; T406-I408 PolarHBondContact OG1-N 3.07Å |
| 407 | G | 58.1 | Low | 58.5 | Low | 21 Ų | 21 | 77 Ų | 77 | 22% | 0.216 | 44% | 0.443 | C | S | . | . | trans | 68.8 | 9.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | V403 | V403-G407 WeakPolarHBondContact O-CA 3.5Å; V403-G407 PolarHBondContact O-N 3.11Å | ||
| 408 | I | 53.2 | Low | 56 | Low | 99 Ų | 99 | 81.2 Ų | 81.2 | 51% | 0.508 | 47% | 0.466 | S | S | . | . | trans | -99.1 | 133.9 | -177.9 | -61.7 | 170.4 | 0 | 0 | 0 | 108.7 | T406 M410 | T406-I408 PolarHBondContact O-N 3.34Å; T406-I408 PolarHBondContact OG1-N 3.07Å; I408-M410 PolarHBondContact O-N 2.99Å | ||
| 409 | S | 45.5 | Very low | 53.3 | Low | 76 Ų | 76 | 83.7 Ų | 83.7 | 53% | 0.531 | 47% | 0.472 | S | S | . | . | trans | -64.6 | 130.8 | 167.8 | 58.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 410 | M | 39 | Very low | 50.6 | Low | 76 Ų | 76 | 86 Ų | 86 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | trans | -45 | 130.4 | 178.9 | -72.4 | -67.6 | -70.1 | 0 | 0 | 110.9 | Q399 F402 V403 I408 T412 | Q399-M410 HydrophobicContact CG-CE 4.4Å; F402-M410 HydrophobicContact CD1-SD 3.48Å; F402-M410 WeakPolarHBondContact CD1-SD 3.29Å; F402-M410 HydrophobicContact CE1-SD 3.91Å; F402-M410 HydrophobicContact CG-SD 4.36Å; V403-M410 HydrophobicContact CG2-CG 3.92Å; V403-M410 HydrophobicContact CG2-SD 4.4Å; I408-M410 PolarHBondContact O-N 2.99Å; M410-T412 PolarHBondContact O-N 2.67Å | ||
| 411 | P | 35.8 | Very low | 48.2 | Very low | 52 Ų | 52 | 92.9 Ų | 92.9 | 34% | 0.338 | 53% | 0.531 | S | S | . | . | trans | -59.9 | 121.7 | 166.4 | -14.3 | 27.1 | 0 | 0 | 0 | 107.3 | ||||
| 412 | T | 34.6 | Very low | 45.9 | Very low | 97 Ų | 97 | 99.6 Ų | 99.6 | 60% | 0.595 | 56% | 0.56 | S | S | * | * | trans | -60.6 | 155.7 | 163.8 | 54.4 | 0 | 0 | 0 | 0 | 107.8 | M410 D414 T415 | M410-T412 PolarHBondContact O-N 2.67Å; T412-D414 PolarHBondContact O-N 3.22Å; T412-T415 PolarHBondContact O-N 2.81Å; T412-T415 PolarHBondContact O-OG1 3.34Å | ||
| 413 | S | 42.5 | Very low | 43.5 | Very low | 120 Ų | 120 | 104.1 Ų | 104.1 | 84% | 0.839 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -48.9 | -22.3 | -172.4 | -161.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 414 | D | 39.6 | Very low | 41.2 | Very low | 145 Ų | 145 | 109.7 Ų | 109.7 | 78% | 0.775 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -79.7 | -19.4 | -179.9 | -63 | -30.3 | 0 | 0 | 0 | 114.9 | T412 | T412-D414 PolarHBondContact O-N 3.22Š|
| 415 | T | 37.4 | Very low | 39.2 | Very low | 66 Ų | 66 | 112.3 Ų | 112.3 | 41% | 0.405 | 65% | 0.654 | S | S | . | * | G | 310 helix | trans | -92.4 | -1.7 | -174.6 | -17.6 | 0 | 0 | 0 | 0 | 114.5 | T412 Q417 T418 | T412-T415 PolarHBondContact O-N 2.81Å; T412-T415 PolarHBondContact O-OG1 3.34Å; T415-Q417 PolarHBondContact O-N 3.16Å; T415-T418 PolarHBondContact O-N 3.01Å |
| 416 | M | 27.3 | Very low | 37 | Very low | 167 Ų | 167 | 109.8 Ų | 109.8 | 82% | 0.823 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -67 | -14.2 | 178.5 | -105.9 | -159.4 | 153.8 | 0 | 0 | 114 | ||
| 417 | Q | 36.4 | Very low | 35 | Very low | 187 Ų | 187 | 110.7 Ų | 110.7 | 87% | 0.874 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -89.5 | 1.4 | -179.3 | -72.4 | -169.4 | -4.5 | 0 | 0 | 115.5 | T415 | T415-Q417 PolarHBondContact O-N 3.16Š|
| 418 | T | 35.2 | Very low | 33.6 | Very low | 114 Ų | 114 | 112.1 Ų | 112.1 | 70% | 0.699 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -132.5 | 16.6 | -176.9 | -26.9 | 0 | 0 | 0 | 0 | 115.6 | T415 S420 | T415-T418 PolarHBondContact O-N 3.01Å; T418-S420 VanDerWaalsContact C-N 3.29Å; T418-S420 PolarHBondContact O-N 3.18Å |
| 419 | I | 27.4 | Very low | 32.4 | Very low | 130 Ų | 130 | 110.9 Ų | 110.9 | 67% | 0.667 | 71% | 0.708 | S | S | * | * | trans | -95.9 | 59.8 | 171.7 | -45.9 | 179.6 | 0 | 0 | 0 | 110 | ||||
| 420 | S | 28.8 | Very low | 32 | Very low | 107 Ų | 107 | 112.2 Ų | 112.2 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -141.2 | 69.1 | 164.4 | -79.7 | 0 | 0 | 0 | 0 | 107.9 | T418 | T418-S420 VanDerWaalsContact C-N 3.29Å; T418-S420 PolarHBondContact O-N 3.18Å |
| 421 | N | 28.6 | Very low | 31.8 | Very low | 152 Ų | 152 | 118.8 Ų | 118.8 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | trans | 158.5 | 96.7 | 153.5 | -85 | -17.5 | 0 | 0 | 0 | 109.2 | ||||
| 422 | N | 30.9 | Very low | 31.7 | Very low | 170 Ų | 170 | 123 Ų | 123 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | trans | -164.1 | 93.2 | 143.3 | -100.1 | -17.9 | 0 | 0 | 0 | 109.5 | ||||
| 423 | Q | 27.9 | Very low | 31.8 | Very low | 187 Ų | 187 | 122.3 Ų | 122.3 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | trans | -76.3 | 119.7 | 167.7 | -79.7 | 179.1 | 2.2 | 0 | 0 | 109.9 | ||||
| 424 | S | 27.8 | Very low | 31.3 | Very low | 116 Ų | 116 | 120.1 Ų | 120.1 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | trans | 38.2 | 98.3 | 137.2 | 61.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 425 | G | 27.5 | Very low | 31.2 | Very low | 81 Ų | 81 | 119.5 Ų | 119.5 | 84% | 0.835 | 73% | 0.725 | S | S | * | * | trans | -126.9 | 118.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 426 | G | 25.2 | Very low | 31.1 | Very low | 83 Ų | 83 | 122.2 Ų | 122.2 | 86% | 0.856 | 74% | 0.735 | S | S | * | * | trans | -82.6 | -175.9 | -164.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 427 | G | 26.1 | Very low | 32 | Very low | 78 Ų | 78 | 118 Ų | 118 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | 87.6 | 108.6 | 152.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 428 | G | 29.3 | Very low | 32.9 | Very low | 52 Ų | 52 | 112.8 Ų | 112.8 | 54% | 0.536 | 70% | 0.696 | S | S | . | * | trans | 159.6 | 73.7 | 168 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 429 | G | 27.9 | Very low | 34 | Very low | 73 Ų | 73 | 110 Ų | 110 | 75% | 0.753 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 149.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | R431 | G429-R431 PolarHBondContact O-N 2.98Å; G429-R431 VanDerWaalsContact O-N 3.09Å |
| 430 | S | 37.9 | Very low | 35.7 | Very low | 104 Ų | 104 | 104 Ų | 104 | 73% | 0.727 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69 | -31.7 | 168.1 | -66.7 | 0 | 0 | 0 | 0 | 120.9 | T433 | S430-T433 PolarHBondContact O-OG1 3.45Š|
| 431 | R | 34.6 | Very low | 37.5 | Very low | 213 Ų | 213 | 100.4 Ų | 100.4 | 80% | 0.804 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -84.4 | -34 | 175.5 | -78.1 | -174.8 | -174.4 | 168.8 | 2.1 | 113.8 | G429 M435 | G429-R431 PolarHBondContact O-N 2.98Å; G429-R431 VanDerWaalsContact O-N 3.09Å; R431-M435 PolarHBondContact O-N 3.43Å |
| 432 | K | 32.7 | Very low | 39.6 | Very low | 140 Ų | 140 | 102.3 Ų | 102.3 | 61% | 0.609 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69 | -34.7 | -179.9 | -77.7 | -177.6 | 175.7 | 178.2 | 0 | 113.1 | M435 M436 | K432-M435 PolarHBondContact O-N 3.2Å; K432-M436 WeakPolarHBondContact O-CB 3.31Å; K432-M436 WeakPolarHBondContact O-CG 3.35Å; K432-M436 PolarHBondContact O-N 3.04Å |
| 433 | T | 35.8 | Very low | 41.7 | Very low | 84 Ų | 84 | 96.2 Ų | 96.2 | 52% | 0.515 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.7 | -44.7 | -179.9 | 49.6 | 0 | 0 | 0 | 0 | 111.5 | S430 M436 I437 | S430-T433 PolarHBondContact O-OG1 3.45Å; T433-M436 PolarHBondContact O-N 3.49Å; T433-I437 WeakPolarHBondContact O-CB 3.33Å; T433-I437 WeakPolarHBondContact O-CD1 3.49Å; T433-I437 WeakPolarHBondContact O-CG1 3.42Å; T433-I437 PolarHBondContact O-N 3.07Å |
| 434 | S | 33.4 | Very low | 44.1 | Very low | 74 Ų | 74 | 87.3 Ų | 87.3 | 52% | 0.517 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 177.1 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | I437 T438 | S434-I437 PolarHBondContact O-N 3.44Å; S434-T438 WeakPolarHBondContact O-CG2 3.45Å; S434-T438 PolarHBondContact O-N 2.68Å; S434-T438 PolarHBondContact O-OG1 3.15Å |
| 435 | M | 37.4 | Very low | 46.5 | Very low | 131 Ų | 131 | 84.6 Ų | 84.6 | 65% | 0.645 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.5 | -45.6 | 176.1 | -114.9 | -174.1 | -88 | 0 | 0 | 112.6 | R431 K432 I437 T438 S439 | R431-M435 PolarHBondContact O-N 3.43Å; K432-M435 PolarHBondContact O-N 3.2Å; M435-I437 VanDerWaalsContact C-N 3.31Å; M435-I437 PolarHBondContact O-N 3.11Å; M435-T438 PolarHBondContact O-N 3.13Å; M435-T438 PolarHBondContact O-OG1 3.35Å; M435-S439 PolarHBondContact O-N 3.38Å; M435-S439 PolarHBondContact O-OG 3.01Å |
| 436 | M | 34.9 | Very low | 49 | Very low | 124 Ų | 124 | 85.6 Ų | 85.6 | 61% | 0.611 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.4 | -37.9 | 177.2 | -83.4 | -179.3 | 166.9 | 0 | 0 | 112.8 | K432 T433 S439 S440 | K432-M436 WeakPolarHBondContact O-CB 3.31Å; K432-M436 WeakPolarHBondContact O-CG 3.35Å; K432-M436 PolarHBondContact O-N 3.04Å; T433-M436 PolarHBondContact O-N 3.49Å; M436-S439 WeakPolarHBondContact CA-OG 3.45Å; M436-S439 PolarHBondContact O-N 2.94Å; M436-S439 PolarHBondContact O-OG 3.41Å; M436-S440 WeakPolarHBondContact O-CB 3.46Å; M436-S440 PolarHBondContact O-N 3.14Å |
| 437 | I | 47.4 | Very low | 51.8 | Low | 79 Ų | 79 | 83 Ų | 83 | 41% | 0.405 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.1 | -50.4 | 175.3 | -72.1 | 167.7 | 0 | 0 | 0 | 109.3 | T433 S434 M435 S439 S440 F441 E495 | T433-I437 WeakPolarHBondContact O-CB 3.33Å; T433-I437 WeakPolarHBondContact O-CD1 3.49Å; T433-I437 WeakPolarHBondContact O-CG1 3.42Å; T433-I437 PolarHBondContact O-N 3.07Å; S434-I437 PolarHBondContact O-N 3.44Å; M435-I437 VanDerWaalsContact C-N 3.31Å; M435-I437 PolarHBondContact O-N 3.11Å; I437-S439 VanDerWaalsContact C-N 3.29Å; I437-S439 PolarHBondContact O-N 3.23Å; I437-S440 WeakPolarHBondContact O-CB 3.42Å; I437-S440 PolarHBondContact O-N 2.69Å; I437-S440 VanDerWaalsContact O-N 3.13Å; I437-F441 HydrophobicContact CG2-CD2 4.02Å; I437-F441 HydrophobicContact CG2-CE2 4.03Å; I437-F441 VanDerWaalsContact O-CD2 3.28Å; I437-F441 WeakPolarHBondContact O-CD2 3.47Å; I437-F441 PolarHBondContact O-N 2.88Å; I437-F441 VanDerWaalsContact O-N 3.16Å; I437-E495 WeakPolarHBondContact CG2-OE1 3.44Å |
| 438 | T | 54.9 | Low | 54.5 | Low | 77 Ų | 77 | 79.4 Ų | 79.4 | 47% | 0.472 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.3 | -35.5 | 178.4 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | S434 M435 R442 | S434-T438 WeakPolarHBondContact O-CG2 3.45Å; S434-T438 PolarHBondContact O-N 2.68Å; S434-T438 PolarHBondContact O-OG1 3.15Å; M435-T438 PolarHBondContact O-N 3.13Å; M435-T438 PolarHBondContact O-OG1 3.35Å; T438-R442 WeakPolarHBondContact O-CG 3.43Å; T438-R442 PolarHBondContact O-N 2.95Å |
| 439 | S | 57.7 | Low | 57.2 | Low | 55 Ų | 55 | 79.1 Ų | 79.1 | 39% | 0.385 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -70.1 | -40.8 | 176.3 | 56 | 0 | 0 | 0 | 0 | 112.2 | M435 M436 I437 F441 R442 V443 | M435-S439 PolarHBondContact O-N 3.38Å; M435-S439 PolarHBondContact O-OG 3.01Å; M436-S439 WeakPolarHBondContact CA-OG 3.45Å; M436-S439 PolarHBondContact O-N 2.94Å; M436-S439 PolarHBondContact O-OG 3.41Å; I437-S439 VanDerWaalsContact C-N 3.29Å; I437-S439 PolarHBondContact O-N 3.23Å; S439-F441 VanDerWaalsContact C-N 3.31Å; S439-F441 PolarHBondContact O-N 2.91Å; S439-R442 PolarHBondContact O-N 3.29Å; S439-V443 VanDerWaalsContact O-CG2 3.29Å; S439-V443 WeakPolarHBondContact O-CG2 3.33Å; S439-V443 PolarHBondContact O-N 2.64Å |
| 440 | S | 62.8 | Low | 60 | Low | 5 Ų | 5 | 79.3 Ų | 79.3 | 4% | 0.035 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -56.5 | -45.7 | 176.7 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | V403 M436 I437 V443 A444 | V403-S440 WeakPolarHBondContact CG1-O 3.22Å; V403-S440 PolarHBondContact O-OG 3.02Å; M436-S440 WeakPolarHBondContact O-CB 3.46Å; M436-S440 PolarHBondContact O-N 3.14Å; I437-S440 WeakPolarHBondContact O-CB 3.42Å; I437-S440 PolarHBondContact O-N 2.69Å; I437-S440 VanDerWaalsContact O-N 3.13Å; S440-V443 PolarHBondContact O-N 3.28Å; S440-A444 WeakPolarHBondContact O-CB 3.08Å; S440-A444 PolarHBondContact O-N 3.25Å |
| 441 | F | 67 | Low | 62.4 | Low | 31 Ų | 31 | 74.6 Ų | 74.6 | 14% | 0.136 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -73 | -34.9 | -178.1 | -79.9 | -80.4 | 0 | 0 | 0 | 113.7 | I437 S439 A444 S445 R491 Q492 E495 | I437-F441 HydrophobicContact CG2-CD2 4.02Å; I437-F441 HydrophobicContact CG2-CE2 4.03Å; I437-F441 VanDerWaalsContact O-CD2 3.28Å; I437-F441 WeakPolarHBondContact O-CD2 3.47Å; I437-F441 PolarHBondContact O-N 2.88Å; I437-F441 VanDerWaalsContact O-N 3.16Å; S439-F441 VanDerWaalsContact C-N 3.31Å; S439-F441 PolarHBondContact O-N 2.91Å; F441-A444 PolarHBondContact O-N 2.74Å; F441-S445 WeakPolarHBondContact O-CB 3.47Å; F441-S445 PolarHBondContact O-N 2.72Å; F441-R491 HydrophobicContact CZ-CG 4.47Å; F441-Q492 HydrophobicContact CD1-CG 3.87Å; F441-Q492 HydrophobicContact CE1-CB 4.49Å; F441-Q492 HydrophobicContact CE1-CG 3.69Å; F441-E495 WeakPolarHBondContact CD1-OE2 3.3Å; F441-E495 VanDerWaalsContact CD2-CD 3.42Å; F441-E495 VanDerWaalsContact CD2-OE1 3.28Å; F441-E495 WeakPolarHBondContact CD2-OE1 3.3Å; F441-E495 WeakPolarHBondContact CD2-OE2 3.47Å; F441-E495 WeakPolarHBondContact CE1-OE2 3.43Å; F441-E495 HydrophobicContact CE2-CG 4.26Å; F441-E495 VanDerWaalsContact CE2-OE1 3.24Å; F441-E495 WeakPolarHBondContact CE2-OE1 3.2Å; F441-E495 WeakPolarHBondContact CE2-OE2 3.26Å; F441-E495 VanDerWaalsContact CG-OE2 3.27Å; F441-E495 WeakPolarHBondContact CG-OE2 3.33Å; F441-E495 HydrophobicContact CZ-CB 4.42Å; F441-E495 HydrophobicContact CZ-CG 4.42Å; F441-E495 WeakPolarHBondContact CZ-OE2 3.3Å |
| 442 | R | 71.8 | Confident | 65 | Low | 192 Ų | 192 | 66.4 Ų | 66.4 | 73% | 0.725 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.1 | -47.8 | 171.3 | -70.2 | -173.5 | 85.2 | -158.5 | 4.5 | 110.8 | T438 S439 A444 S445 D446 | T438-R442 WeakPolarHBondContact O-CG 3.43Å; T438-R442 PolarHBondContact O-N 2.95Å; S439-R442 PolarHBondContact O-N 3.29Å; R442-A444 VanDerWaalsContact C-N 3.33Å; R442-A444 PolarHBondContact O-N 3.34Å; R442-S445 WeakPolarHBondContact O-CB 3.46Å; R442-S445 PolarHBondContact O-N 2.99Å; R442-D446 VanDerWaalsContact O-CG 3.28Å; R442-D446 PolarHBondContact O-N 3.42Å |
| 443 | V | 76 | Confident | 67.6 | Low | 41 Ų | 41 | 63.7 Ų | 63.7 | 25% | 0.248 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 176.8 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | V403 S439 S440 S445 D446 L447 | V403-V443 HydrophobicContact CG1-CB 4.02Å; V403-V443 HydrophobicContact CG1-CG1 3.84Å; V403-V443 HydrophobicContact CG2-CG1 4.24Å; S439-V443 VanDerWaalsContact O-CG2 3.29Å; S439-V443 WeakPolarHBondContact O-CG2 3.33Å; S439-V443 PolarHBondContact O-N 2.64Å; S440-V443 PolarHBondContact O-N 3.28Å; V443-S445 VanDerWaalsContact C-N 3.34Å; V443-S445 PolarHBondContact O-N 3.34Å; V443-D446 PolarHBondContact O-N 2.91Å; V443-L447 WeakPolarHBondContact O-CB 3.33Å; V443-L447 PolarHBondContact O-N 2.86Å |
| 444 | A | 77.5 | Confident | 70.2 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L400 V403 V404 S440 F441 R442 L447 Y448 F488 | L400-A444 HydrophobicContact CD2-CB 4.28Å; L400-A444 WeakPolarHBondContact CD2-O 3.47Å; V403-A444 HydrophobicContact CG1-CB 4.03Å; V404-A444 HydrophobicContact CG2-CB 4.24Å; S440-A444 WeakPolarHBondContact O-CB 3.08Å; S440-A444 PolarHBondContact O-N 3.25Å; F441-A444 PolarHBondContact O-N 2.74Å; R442-A444 VanDerWaalsContact C-N 3.33Å; R442-A444 PolarHBondContact O-N 3.34Å; A444-L447 PolarHBondContact O-N 3.36Å; A444-Y448 WeakPolarHBondContact O-CB 3.27Å; A444-Y448 PolarHBondContact O-N 3.32Å; A444-F488 HydrophobicContact CB-CE2 3.82Å; A444-F488 HydrophobicContact CB-CZ 4.05Å |
| 445 | S | 78.4 | Confident | 73 | Confident | 59 Ų | 59 | 59.2 Ų | 59.2 | 41% | 0.413 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 175.1 | -175.2 | 0 | 0 | 0 | 0 | 112 | F441 R442 V443 Y448 A449 | F441-S445 WeakPolarHBondContact O-CB 3.47Å; F441-S445 PolarHBondContact O-N 2.72Å; R442-S445 WeakPolarHBondContact O-CB 3.46Å; R442-S445 PolarHBondContact O-N 2.99Å; V443-S445 VanDerWaalsContact C-N 3.34Å; V443-S445 PolarHBondContact O-N 3.34Å; S445-Y448 PolarHBondContact O-N 3.46Å; S445-A449 PolarHBondContact O-N 2.84Å |
| 446 | D | 80.9 | Confident | 75.5 | Confident | 103 Ų | 103 | 55 Ų | 55 | 55% | 0.551 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.5 | -43.7 | 177.1 | -65.9 | -21.9 | 0 | 0 | 0 | 110.7 | R442 V443 Y448 A449 V450 | R442-D446 VanDerWaalsContact O-CG 3.28Å; R442-D446 PolarHBondContact O-N 3.42Å; V443-D446 PolarHBondContact O-N 2.91Å; D446-Y448 VanDerWaalsContact C-N 3.29Å; D446-Y448 PolarHBondContact O-N 2.85Å; D446-A449 WeakPolarHBondContact O-CB 3.36Å; D446-A449 PolarHBondContact O-N 2.93Å; D446-A449 VanDerWaalsContact O-N 3.16Å; D446-V450 WeakPolarHBondContact O-CG2 3.47Å; D446-V450 PolarHBondContact O-N 3.44Å |
| 447 | L | 82.7 | Confident | 78.2 | Confident | 29 Ų | 29 | 52.6 Ų | 52.6 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62 | -38.2 | 175.9 | -164.5 | 115.8 | 0 | 0 | 0 | 111.8 | Y396 Q399 L400 V443 A444 V450 Q451 | Y396-L447 HydrophobicContact CD1-CD2 4.49Å; Q399-L447 HydrophobicContact CB-CD1 4.25Å; Q399-L447 HydrophobicContact CB-CD2 3.75Å; L400-L447 HydrophobicContact CD2-CB 4.34Å; L400-L447 HydrophobicContact CD2-CD2 3.57Å; L400-L447 HydrophobicContact CG-CD2 3.57Å; V443-L447 WeakPolarHBondContact O-CB 3.33Å; V443-L447 PolarHBondContact O-N 2.86Å; A444-L447 PolarHBondContact O-N 3.36Å; L447-V450 PolarHBondContact O-N 3.46Å; L447-Q451 PolarHBondContact O-N 3.32Å |
| 448 | Y | 84.2 | Confident | 80.3 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.3 | -35.9 | 175.6 | -145.1 | -80.6 | 0 | 0 | 0 | 112.1 | L400 A444 S445 D446 Q451 R452 Y481 S485 F488 F489 E561 | L400-Y448 HydrophobicContact CD1-CD2 3.44Å; L400-Y448 VanDerWaalsContact CD1-CD2 3.44Å; L400-Y448 HydrophobicContact CD1-CE2 3.62Å; L400-Y448 HydrophobicContact CD2-CD2 3.96Å; L400-Y448 HydrophobicContact CG-CD2 4.35Å; A444-Y448 WeakPolarHBondContact O-CB 3.27Å; A444-Y448 PolarHBondContact O-N 3.32Å; S445-Y448 PolarHBondContact O-N 3.46Å; D446-Y448 VanDerWaalsContact C-N 3.29Å; D446-Y448 PolarHBondContact O-N 2.85Å; Y448-Q451 PolarHBondContact O-N 2.67Å; Y448-R452 HydrophobicContact CD1-CG 4.09Å; Y448-R452 VanDerWaalsContact CD1-NH2 3.34Å; Y448-R452 HydrophobicContact CE1-CG 4.27Å; Y448-R452 WeakPolarHBondContact O-CG 3.35Å; Y448-R452 PolarHBondContact O-N 2.94Å; Y448-Y481 PolarHBondContact OH-OH 2.8Å; Y448-S485 VanDerWaalsContact OH-CB 3.29Å; Y448-S485 WeakPolarHBondContact OH-CB 3.36Å; Y448-S485 PolarHBondContact OH-OG 2.84Å; Y448-F488 AromaticContact CD2-CD1 3.53Å; Y448-F488 HydrophobicContact CD2-CD1 3.53Å; Y448-F488 AromaticContact CD2-CE1 3.14Å; Y448-F488 HydrophobicContact CD2-CE1 3.14Å; Y448-F488 AromaticContact CD2-CZ 3.96Å; Y448-F488 HydrophobicContact CD2-CZ 3.96Å; Y448-F488 AromaticContact CE2-CD1 3.38Å; Y448-F488 HydrophobicContact CE2-CD1 3.38Å; Y448-F488 AromaticContact CE2-CE1 3.53Å; Y448-F488 HydrophobicContact CE2-CE1 3.53Å; Y448-F488 HydrophobicContact CE2-CG 4.35Å; Y448-F488 AromaticContact CG-CE1 3.87Å; Y448-F488 HydrophobicContact CG-CE1 3.87Å; Y448-F489 HydrophobicContact CE1-CE1 4.49Å; Y448-F489 AromaticContact CE1-CZ 3.75Å; Y448-F489 HydrophobicContact CE1-CZ 3.75Å; Y448-F489 HydrophobicContact CE2-CZ 4.23Å; Y448-F489 AromaticContact CZ-CE2 3.96Å; Y448-F489 AromaticContact CZ-CZ 3.48Å; Y448-F489 VanDerWaalsContact CZ-CZ 3.48Å; Y448-F489 VanDerWaalsContact OH-CE2 3.28Å; Y448-F489 WeakPolarHBondContact OH-CE2 3.42Å; Y448-F489 VanDerWaalsContact OH-CZ 3.26Å; Y448-F489 WeakPolarHBondContact OH-CZ 3.44Å; Y448-E561 WeakPolarHBondContact CE1-OE2 3.37Å |
| 449 | A | 85.3 | Confident | 82.1 | Confident | 45 Ų | 45 | 46.2 Ų | 46.2 | 37% | 0.372 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.3 | -40.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | S445 D446 R452 T453 | S445-A449 PolarHBondContact O-N 2.84Å; D446-A449 WeakPolarHBondContact O-CB 3.36Å; D446-A449 PolarHBondContact O-N 2.93Å; D446-A449 VanDerWaalsContact O-N 3.16Å; A449-R452 PolarHBondContact O-N 3.39Å; A449-T453 PolarHBondContact O-N 3.29Å; A449-T453 VanDerWaalsContact O-N 3.07Å; A449-T453 PolarHBondContact O-OG1 2.92Å |
| 450 | V | 86.8 | Confident | 83.7 | Confident | 78 Ų | 78 | 46 Ų | 46 | 47% | 0.473 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.9 | -50.4 | 172.5 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | D446 L447 R452 T453 D454 | D446-V450 WeakPolarHBondContact O-CG2 3.47Å; D446-V450 PolarHBondContact O-N 3.44Å; L447-V450 PolarHBondContact O-N 3.46Å; V450-R452 VanDerWaalsContact C-N 3.31Å; V450-R452 PolarHBondContact O-N 3.29Å; V450-T453 WeakPolarHBondContact O-CB 3.35Å; V450-T453 PolarHBondContact O-N 3.01Å; V450-D454 WeakPolarHBondContact CG1-OD2 3.5Å; V450-D454 PolarHBondContact O-N 2.94Å |
| 451 | Q | 87.7 | Confident | 85.1 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 2% | 0.023 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -51.6 | -48.2 | 175.7 | 174.2 | 178.6 | 15.8 | 0 | 0 | 112.2 | Y396 L447 Y448 T453 D454 L455 | Y396-Q451 VanDerWaalsContact CB-CD 3.41Å; Y396-Q451 HydrophobicContact CD1-CB 3.65Å; Y396-Q451 HydrophobicContact CD1-CG 4.07Å; Y396-Q451 HydrophobicContact CD2-CB 4Å; Y396-Q451 HydrophobicContact CD2-CG 3.5Å; Y396-Q451 HydrophobicContact CE1-CB 3.88Å; Y396-Q451 HydrophobicContact CE1-CG 4.46Å; Y396-Q451 HydrophobicContact CE2-CB 4.25Å; Y396-Q451 HydrophobicContact CE2-CG 3.99Å; Y396-Q451 HydrophobicContact CG-CB 3.72Å; Y396-Q451 HydrophobicContact CG-CG 3.58Å; L447-Q451 PolarHBondContact O-N 3.32Å; Y448-Q451 PolarHBondContact O-N 2.67Å; Q451-T453 VanDerWaalsContact C-N 3.34Å; Q451-T453 PolarHBondContact O-N 3.28Å; Q451-D454 PolarHBondContact O-N 2.98Å; Q451-L455 HydrophobicContact CG-CD1 3.86Å; Q451-L455 HydrophobicContact CG-CG 4.37Å; Q451-L455 WeakPolarHBondContact O-CB 3.36Å; Q451-L455 WeakPolarHBondContact O-CG 3.41Å; Q451-L455 PolarHBondContact O-N 3.39Å |
| 452 | R | 89.3 | Confident | 86.3 | Confident | 40 Ų | 40 | 44.3 Ų | 44.3 | 15% | 0.151 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 179.6 | -72.4 | -175.2 | -169.2 | 117.6 | -5.4 | 111.3 | Y448 A449 V450 D454 L455 L456 E561 F564 | Y448-R452 HydrophobicContact CD1-CG 4.09Å; Y448-R452 VanDerWaalsContact CD1-NH2 3.34Å; Y448-R452 HydrophobicContact CE1-CG 4.27Å; Y448-R452 WeakPolarHBondContact O-CG 3.35Å; Y448-R452 PolarHBondContact O-N 2.94Å; A449-R452 PolarHBondContact O-N 3.39Å; V450-R452 VanDerWaalsContact C-N 3.31Å; V450-R452 PolarHBondContact O-N 3.29Å; R452-D454 VanDerWaalsContact C-N 3.34Å; R452-D454 PolarHBondContact O-N 3.21Å; R452-L455 PolarHBondContact O-N 3.42Å; R452-L456 VanDerWaalsContact O-CB 3.28Å; R452-L456 WeakPolarHBondContact O-CB 3.49Å; R452-L456 WeakPolarHBondContact O-CG 3.43Å; R452-L456 PolarHBondContact O-N 2.9Å; R452-E561 IonicContact CZ-OE2 3.66Å; R452-E561 VanDerWaalsContact CZ-OE2 3.32Å; R452-E561 IonicContact NE-OE2 2.74Å; R452-E561 PolarHBondContact NE-OE2 2.92Å; R452-E561 IonicContact NH2-OE2 3.2Å; R452-E561 PolarHBondContact NH2-OE2 2.81Å; R452-F564 HydrophobicContact CB-CD2 3.69Å; R452-F564 HydrophobicContact CB-CE2 3.79Å; R452-F564 HydrophobicContact CG-CD1 4.42Å; R452-F564 HydrophobicContact CG-CD2 3.55Å; R452-F564 HydrophobicContact CG-CE2 3.79Å; R452-F564 HydrophobicContact CG-CG 3.88Å; R452-F564 HydrophobicContact CG-CZ 4.35Å |
| 453 | T | 89 | Confident | 87 | Confident | 84 Ų | 84 | 35.2 Ų | 35.2 | 52% | 0.515 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62 | -44.1 | 179.6 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | A449 V450 Q451 L456 | A449-T453 PolarHBondContact O-N 3.29Å; A449-T453 VanDerWaalsContact O-N 3.07Å; A449-T453 PolarHBondContact O-OG1 2.92Å; V450-T453 WeakPolarHBondContact O-CB 3.35Å; V450-T453 PolarHBondContact O-N 3.01Å; Q451-T453 VanDerWaalsContact C-N 3.34Å; Q451-T453 PolarHBondContact O-N 3.28Å; T453-L456 PolarHBondContact O-N 3.2Å |
| 454 | D | 88.9 | Confident | 87.7 | Confident | 61 Ų | 61 | 36.5 Ų | 36.5 | 33% | 0.326 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.6 | -43.8 | 179.7 | -65 | -20.5 | 0 | 0 | 0 | 111.4 | Y396 V450 Q451 R452 Q457 | Y396-D454 WeakPolarHBondContact OH-CB 3.44Å; Y396-D454 PolarHBondContact OH-OD2 3.09Å; V450-D454 WeakPolarHBondContact CG1-OD2 3.5Å; V450-D454 PolarHBondContact O-N 2.94Å; Q451-D454 PolarHBondContact O-N 2.98Å; R452-D454 VanDerWaalsContact C-N 3.34Å; R452-D454 PolarHBondContact O-N 3.21Å; D454-Q457 PolarHBondContact O-N 2.93Å |
| 455 | L | 91.7 | Very high | 88.4 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.6 | -36.8 | 176.6 | -69.8 | 178.4 | 0 | 0 | 0 | 112.4 | M393 Q451 R452 Q457 L458 Y481 F564 F568 | M393-L455 HydrophobicContact CE-CD1 4.2Å; M393-L455 HydrophobicContact CG-CD1 4.4Å; Q451-L455 HydrophobicContact CG-CD1 3.86Å; Q451-L455 HydrophobicContact CG-CG 4.37Å; Q451-L455 WeakPolarHBondContact O-CB 3.36Å; Q451-L455 WeakPolarHBondContact O-CG 3.41Å; Q451-L455 PolarHBondContact O-N 3.39Å; R452-L455 PolarHBondContact O-N 3.42Å; L455-Q457 PolarHBondContact O-N 2.58Å; L455-L458 WeakPolarHBondContact O-CB 3.46Å; L455-L458 PolarHBondContact O-N 3.36Å; L455-Y481 HydrophobicContact CD1-CE2 4.34Å; L455-F564 HydrophobicContact CB-CE2 4.29Å; L455-F564 HydrophobicContact CB-CZ 4.12Å; L455-F564 HydrophobicContact CD1-CZ 4.04Å; L455-F568 HydrophobicContact CB-CD2 4.22Å; L455-F568 HydrophobicContact CB-CE2 3.95Å; L455-F568 HydrophobicContact CB-CZ 4.3Å; L455-F568 HydrophobicContact CD2-CZ 4.44Å; L455-F568 VanDerWaalsContact O-CD2 3.29Å; L455-F568 WeakPolarHBondContact O-CD2 3.24Å; L455-F568 WeakPolarHBondContact O-CE2 3.46Å |
| 456 | L | 91.6 | Very high | 89 | Confident | 43 Ų | 43 | 34.4 Ų | 34.4 | 23% | 0.225 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.3 | -26.7 | -179.9 | -80.6 | 175 | 0 | 0 | 0 | 113 | R452 T453 L458 T459 F564 Q567 F568 | R452-L456 VanDerWaalsContact O-CB 3.28Å; R452-L456 WeakPolarHBondContact O-CB 3.49Å; R452-L456 WeakPolarHBondContact O-CG 3.43Å; R452-L456 PolarHBondContact O-N 2.9Å; T453-L456 PolarHBondContact O-N 3.2Å; L456-L458 PolarHBondContact O-N 2.86Å; L456-T459 WeakPolarHBondContact CA-OG1 3.49Å; L456-T459 VanDerWaalsContact O-CB 3.29Å; L456-T459 WeakPolarHBondContact O-CB 3.39Å; L456-T459 PolarHBondContact O-N 3.31Å; L456-T459 VanDerWaalsContact O-N 3.16Å; L456-T459 PolarHBondContact O-OG1 3.1Å; L456-F564 HydrophobicContact CD1-CD2 4.39Å; L456-F564 HydrophobicContact CD2-CD2 4.13Å; L456-F564 HydrophobicContact CD2-CE2 4.17Å; L456-F564 HydrophobicContact CG-CD2 4.06Å; L456-F564 HydrophobicContact CG-CE2 3.97Å; L456-Q567 HydrophobicContact CD2-CB 3.94Å; L456-Q567 HydrophobicContact CD2-CG 3.58Å; L456-F568 HydrophobicContact CD2-CB 4.13Å |
| 457 | Q | 90.4 | Very high | 89.4 | Confident | 73 Ų | 73 | 31.1 Ų | 31.1 | 34% | 0.341 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -26.4 | 173.2 | -61 | -172.2 | 34.4 | 0 | 0 | 112.5 | S336 I339 D454 L455 T459 | S336-Q457 PolarHBondContact OG-OE1 2.83Å; I339-Q457 HydrophobicContact CD1-CB 4.31Å; D454-Q457 PolarHBondContact O-N 2.93Å; L455-Q457 PolarHBondContact O-N 2.58Å; Q457-T459 VanDerWaalsContact C-N 3.34Å |
| 458 | L | 92.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 0.2 | 179.6 | -56.4 | 172.7 | 0 | 0 | 0 | 113.1 | I339 F388 V389 L455 L456 P460 L461 V462 F568 | I339-L458 HydrophobicContact CD1-CD2 3.67Å; I339-L458 HydrophobicContact CG1-CD2 3.82Å; I339-L458 HydrophobicContact CG2-CD2 3.99Å; F388-L458 HydrophobicContact CD1-CD1 4.16Å; F388-L458 HydrophobicContact CE1-CD1 3.96Å; F388-L458 HydrophobicContact CE1-CD2 4.48Å; V389-L458 HydrophobicContact CG2-CD1 3.86Å; L455-L458 WeakPolarHBondContact O-CB 3.46Å; L455-L458 PolarHBondContact O-N 3.36Å; L456-L458 PolarHBondContact O-N 2.86Å; L458-P460 VanDerWaalsContact C-CD 3.49Å; L458-L461 HydrophobicContact CD2-CD1 4.42Å; L458-L461 PolarHBondContact O-N 3.4Å; L458-V462 HydrophobicContact CB-CG2 4.19Å; L458-V462 PolarHBondContact O-N 3.42Å; L458-F568 HydrophobicContact CB-CE2 4.33Å |
| 459 | T | 92 | Very high | 89.9 | Confident | 18 Ų | 18 | 34 Ų | 34 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -50.5 | -46.6 | -177.8 | -57.7 | 0 | 0 | 0 | 0 | 113.3 | L456 Q457 L461 V462 G463 Q567 | L456-T459 WeakPolarHBondContact CA-OG1 3.49Å; L456-T459 VanDerWaalsContact O-CB 3.29Å; L456-T459 WeakPolarHBondContact O-CB 3.39Å; L456-T459 PolarHBondContact O-N 3.31Å; L456-T459 VanDerWaalsContact O-N 3.16Å; L456-T459 PolarHBondContact O-OG1 3.1Å; Q457-T459 VanDerWaalsContact C-N 3.34Å; T459-L461 VanDerWaalsContact C-N 3.26Å; T459-L461 PolarHBondContact O-N 3.43Å; T459-V462 PolarHBondContact O-N 2.93Å; T459-G463 WeakPolarHBondContact O-CA 3.44Å; T459-G463 PolarHBondContact O-N 3.46Å; T459-Q567 WeakPolarHBondContact CG2-O 3.28Å |
| 460 | P | 90.8 | Very high | 90.1 | Very high | 51 Ų | 51 | 34.1 Ų | 34.1 | 33% | 0.331 | 19% | 0.19 | S | C | . | . | I | π-helix | trans | -64.4 | -31.1 | -179.7 | -21.8 | 35.2 | 0 | 0 | 0 | 113.2 | I343 L458 N464 W465 | I343-P460 HydrophobicContact CD1-CB 4.01Å; I343-P460 HydrophobicContact CD1-CG 3.88Å; I343-P460 HydrophobicContact CG1-CB 4.12Å; I343-P460 HydrophobicContact CG2-CB 4.18Å; L458-P460 VanDerWaalsContact C-CD 3.49Å; P460-N464 WeakPolarHBondContact O-CB 3.17Å; P460-W465 PolarHBondContact O-N 3.46Å; P460-W465 VanDerWaalsContact O-N 3.11Å |
| 461 | L | 92.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -79.6 | -44 | 178.5 | -66.7 | 176.3 | 0 | 0 | 0 | 111.9 | L333 I339 C342 I343 A346 F381 L385 L458 T459 W465 L466 | L333-L461 HydrophobicContact CD2-CD1 4.29Å; I339-L461 HydrophobicContact CG2-CD1 4.29Å; C342-L461 HydrophobicContact CB-CD1 4.21Å; I343-L461 HydrophobicContact CB-CD2 4.42Å; I343-L461 HydrophobicContact CG1-CD1 4.18Å; I343-L461 HydrophobicContact CG1-CD2 3.84Å; I343-L461 HydrophobicContact CG1-CG 3.68Å; A346-L461 HydrophobicContact CB-CD2 3.88Å; F381-L461 HydrophobicContact CE1-CD2 4.37Å; F381-L461 HydrophobicContact CZ-CD2 4.24Å; L385-L461 HydrophobicContact CD1-CB 4.25Å; L385-L461 HydrophobicContact CD1-CD1 4.15Å; L385-L461 HydrophobicContact CD2-CB 3.78Å; L458-L461 HydrophobicContact CD2-CD1 4.42Å; L458-L461 PolarHBondContact O-N 3.4Å; T459-L461 VanDerWaalsContact C-N 3.26Å; T459-L461 PolarHBondContact O-N 3.43Å; L461-W465 WeakPolarHBondContact O-CB 3.3Å; L461-L466 WeakPolarHBondContact O-CB 3.34Å; L461-L466 PolarHBondContact O-N 3.39Å |
| 462 | V | 92.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -85.7 | -57.2 | -175.5 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | V389 L458 T459 N464 Y474 I477 F568 F569 | V389-V462 HydrophobicContact CG2-CG2 3.88Å; L458-V462 HydrophobicContact CB-CG2 4.19Å; L458-V462 PolarHBondContact O-N 3.42Å; T459-V462 PolarHBondContact O-N 2.93Å; V462-N464 VanDerWaalsContact C-N 3.32Å; V462-N464 PolarHBondContact O-N 3.46Å; V462-Y474 HydrophobicContact CG1-CD2 4.39Å; V462-Y474 VanDerWaalsContact O-CD2 3.29Å; V462-Y474 WeakPolarHBondContact O-CD2 3.32Å; V462-I477 HydrophobicContact CG1-CD1 4.33Å; V462-I477 HydrophobicContact CG1-CG2 4.42Å; V462-F568 HydrophobicContact CB-CE2 4.26Å; V462-F568 HydrophobicContact CB-CZ 4.15Å; V462-F568 HydrophobicContact CG1-CE1 4.24Å; V462-F568 HydrophobicContact CG1-CE2 4.49Å; V462-F568 HydrophobicContact CG1-CZ 3.95Å; V462-F568 HydrophobicContact CG2-CE2 4.34Å; V462-F568 HydrophobicContact CG2-CZ 4.16Å; V462-F569 HydrophobicContact CG1-CD1 4.42Å; V462-F569 HydrophobicContact CG1-CE1 4.35Å |
| 463 | G | 87.9 | Confident | 90.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -66 | -31.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T459 Q467 F568 | T459-G463 WeakPolarHBondContact O-CA 3.44Å; T459-G463 PolarHBondContact O-N 3.46Å; G463-Q467 WeakPolarHBondContact O-CB 3.45Å; G463-Q467 PolarHBondContact O-OE1 3.3Å; G463-F568 WeakPolarHBondContact CA-O 3.48Å |
| 464 | N | 89.8 | Confident | 90.4 | Very high | 68 Ų | 68 | 37 Ų | 37 | 36% | 0.364 | 20% | 0.195 | S | C | . | . | I | π-helix | trans | -109.6 | -66 | -175.8 | -49.4 | -5.3 | 0 | 0 | 0 | 111.1 | P460 V462 Q467 A468 L573 | P460-N464 WeakPolarHBondContact O-CB 3.17Å; V462-N464 VanDerWaalsContact C-N 3.32Å; V462-N464 PolarHBondContact O-N 3.46Å; N464-Q467 PolarHBondContact O-N 2.86Å; N464-A468 PolarHBondContact O-N 3Å; N464-A468 VanDerWaalsContact O-N 3.08Å; N464-L573 WeakPolarHBondContact OD1-CD1 3.28Å |
| 465 | W | 92.2 | Very high | 90.5 | Very high | 16 Ų | 16 | 35.4 Ų | 35.4 | 6% | 0.061 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -65.4 | -48.2 | -170.1 | -173.9 | 88.6 | 0 | 0 | 0 | 112.4 | A346 L349 R378 F381 A382 P460 L461 A468 N469 | A346-W465 HydrophobicContact CB-CD2 4.11Å; A346-W465 HydrophobicContact CB-CG 3.99Å; A346-W465 PolarHBondContact O-NE1 3.12Å; L349-W465 HydrophobicContact CD2-CZ2 4.08Å; R378-W465 HydrophobicContact CG-CH2 3.73Å; R378-W465 HydrophobicContact CG-CZ2 3.88Å; F381-W465 HydrophobicContact CD1-CE3 4.33Å; F381-W465 AromaticContact CD1-CH2 3.6Å; F381-W465 HydrophobicContact CD1-CH2 3.6Å; F381-W465 HydrophobicContact CD1-CZ2 4.12Å; F381-W465 AromaticContact CD1-CZ3 3.71Å; F381-W465 HydrophobicContact CD1-CZ3 3.71Å; F381-W465 HydrophobicContact CE1-CE3 4.21Å; F381-W465 HydrophobicContact CE1-CH2 4.25Å; F381-W465 HydrophobicContact CE1-CZ3 4.04Å; A382-W465 HydrophobicContact CB-CH2 4.15Å; A382-W465 HydrophobicContact CB-CZ3 3.86Å; P460-W465 PolarHBondContact O-N 3.46Å; P460-W465 VanDerWaalsContact O-N 3.11Å; L461-W465 WeakPolarHBondContact O-CB 3.3Å; W465-A468 PolarHBondContact O-N 2.93Å; W465-N469 HydrophobicContact CD2-CB 4.41Å; W465-N469 HydrophobicContact CH2-CB 4.31Å; W465-N469 HydrophobicContact CZ2-CB 4.21Å; W465-N469 HydrophobicContact CZ3-CB 4.48Å; W465-N469 PolarHBondContact NE1-ND2 2.91Å; W465-N469 VanDerWaalsContact O-CB 3.32Å; W465-N469 WeakPolarHBondContact O-CB 3.41Å; W465-N469 PolarHBondContact O-N 3.25Å; W465-N469 PolarHBondContact O-ND2 3.47Å |
| 466 | L | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -68.4 | -37.8 | -179.6 | -165.4 | 73.4 | 0 | 0 | 0 | 111.9 | A382 L461 A468 N469 R470 L473 I477 | A382-L466 HydrophobicContact CB-CD1 3.81Å; L461-L466 WeakPolarHBondContact O-CB 3.34Å; L461-L466 PolarHBondContact O-N 3.39Å; L466-A468 VanDerWaalsContact C-N 3.29Å; L466-A468 PolarHBondContact O-N 2.71Å; L466-N469 PolarHBondContact O-N 2.98Å; L466-R470 HydrophobicContact CD1-CB 3.92Å; L466-R470 CarbonylContact O-C 3.54Å; L466-R470 WeakPolarHBondContact O-CA 3.46Å; L466-R470 PolarHBondContact O-N 3.03Å; L466-L473 HydrophobicContact CD1-CB 4.15Å; L466-L473 HydrophobicContact CD1-CD1 4.46Å; L466-L473 HydrophobicContact CD2-CB 4.25Å; L466-L473 HydrophobicContact CG-CB 4.42Å; L466-I477 HydrophobicContact CD2-CD1 3.41Å; L466-I477 VanDerWaalsContact CD2-CD1 3.41Å |
| 467 | Q | 89.2 | Confident | 90.4 | Very high | 34 Ų | 34 | 34.9 Ų | 34.9 | 16% | 0.159 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.7 | -39.6 | 173.9 | -176.6 | -179.3 | -31 | 0 | 0 | 111.9 | G463 N464 K471 Y474 F569 N574 | G463-Q467 WeakPolarHBondContact O-CB 3.45Å; G463-Q467 PolarHBondContact O-OE1 3.3Å; N464-Q467 PolarHBondContact O-N 2.86Å; Q467-K471 WeakPolarHBondContact O-CG 3.46Å; Q467-Y474 HydrophobicContact CB-CD1 4.26Å; Q467-Y474 HydrophobicContact CB-CD2 3.96Å; Q467-Y474 HydrophobicContact CB-CE1 4.21Å; Q467-Y474 HydrophobicContact CB-CE2 3.91Å; Q467-Y474 HydrophobicContact CB-CG 4.12Å; Q467-Y474 HydrophobicContact CG-CD1 4.2Å; Q467-Y474 HydrophobicContact CG-CE1 3.89Å; Q467-Y474 HydrophobicContact CG-CE2 4.4Å; Q467-Y474 PolarHBondContact OE1-OH 2.92Å; Q467-F569 PolarHBondContact OE1-O 3.42Å; Q467-N574 PolarHBondContact NE2-ND2 2.86Å; Q467-N574 PolarHBondContact NE2-OD1 3.41Å |
| 468 | A | 87 | Confident | 90.5 | Very high | 70 Ų | 70 | 31.7 Ų | 31.7 | 58% | 0.579 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -75.2 | -44.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N464 W465 L466 | N464-A468 PolarHBondContact O-N 3Å; N464-A468 VanDerWaalsContact O-N 3.08Å; W465-A468 PolarHBondContact O-N 2.93Å; L466-A468 VanDerWaalsContact C-N 3.29Å; L466-A468 PolarHBondContact O-N 2.71Å |
| 469 | N | 89 | Confident | 90.5 | Very high | 22 Ų | 22 | 37.6 Ų | 37.6 | 12% | 0.118 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -92.9 | -34.6 | -168.3 | -81.6 | -83.6 | 0 | 0 | 0 | 114.7 | D350 R378 W465 L466 | D350-N469 PolarHBondContact OD1-ND2 3.46Å; R378-N469 HydrophobicContact CG-CB 4.27Å; W465-N469 HydrophobicContact CD2-CB 4.41Å; W465-N469 HydrophobicContact CH2-CB 4.31Å; W465-N469 HydrophobicContact CZ2-CB 4.21Å; W465-N469 HydrophobicContact CZ3-CB 4.48Å; W465-N469 PolarHBondContact NE1-ND2 2.91Å; W465-N469 VanDerWaalsContact O-CB 3.32Å; W465-N469 WeakPolarHBondContact O-CB 3.41Å; W465-N469 PolarHBondContact O-N 3.25Å; W465-N469 PolarHBondContact O-ND2 3.47Å; L466-N469 PolarHBondContact O-N 2.98Å |
| 470 | R | 90.7 | Very high | 90.4 | Very high | 47 Ų | 47 | 39 Ų | 39 | 18% | 0.177 | 20% | 0.204 | C | C | . | . | trans | -145.9 | 74.1 | -175.5 | -72.3 | -60.2 | -61.1 | -92.3 | -3.8 | 111.9 | D379 A382 L466 D472 L473 Y474 | D379-R470 WeakPolarHBondContact OD1-CD 3.46Å; D379-R470 IonicContact OD1-CZ 3.22Å; D379-R470 IonicContact OD1-NH1 3.81Å; D379-R470 PolarHBondContact OD1-NH1 3.39Å; D379-R470 IonicContact OD2-NH1 3.9Å; A382-R470 HydrophobicContact CB-CB 4.24Å; A382-R470 HydrophobicContact CB-CG 3.8Å; L466-R470 HydrophobicContact CD1-CB 3.92Å; L466-R470 CarbonylContact O-C 3.54Å; L466-R470 WeakPolarHBondContact O-CA 3.46Å; L466-R470 PolarHBondContact O-N 3.03Å; R470-D472 IonicContact CZ-OD1 3.21Å; R470-D472 IonicContact CZ-OD2 2.84Å; R470-D472 IonicContact NE-OD1 2.73Å; R470-D472 PolarHBondContact NE-OD1 3.38Å; R470-D472 IonicContact NE-OD2 2.74Å; R470-D472 IonicContact NH2-OD1 3.36Å; R470-D472 IonicContact NH2-OD2 2.72Å; R470-D472 PolarHBondContact NH2-OD2 3.27Å; R470-D472 PolarHBondContact O-N 2.62Å; R470-L473 HydrophobicContact CB-CB 4.34Å; R470-L473 HydrophobicContact CB-CD1 4.18Å; R470-L473 HydrophobicContact CB-CG 4.38Å; R470-L473 HydrophobicContact CG-CD1 4.45Å; R470-L473 PolarHBondContact O-N 2.79Å; R470-Y474 PolarHBondContact O-N 3.05Å; R470-Y474 VanDerWaalsContact O-N 3.09Å | ||
| 471 | K | 88.1 | Confident | 90.4 | Very high | 140 Ų | 140 | 36.6 Ų | 36.6 | 61% | 0.609 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -54.2 | -37.5 | 179.4 | -70.1 | -179.4 | -178.3 | -179.6 | 0 | 113.3 | Q467 Y474 I475 | Q467-K471 WeakPolarHBondContact O-CG 3.46Å; K471-Y474 PolarHBondContact O-N 3.33Å; K471-I475 WeakPolarHBondContact O-CB 3.41Å; K471-I475 VanDerWaalsContact O-CD1 3.28Å; K471-I475 WeakPolarHBondContact O-CD1 3.34Å; K471-I475 WeakPolarHBondContact O-CG1 3.43Å; K471-I475 PolarHBondContact O-N 3.12Å |
| 472 | D | 88.2 | Confident | 90.3 | Very high | 84 Ų | 84 | 37.1 Ų | 37.1 | 45% | 0.449 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.8 | -46.2 | 179 | 61.9 | -54.5 | 0 | 0 | 0 | 112.3 | R470 G476 | R470-D472 IonicContact CZ-OD1 3.21Å; R470-D472 IonicContact CZ-OD2 2.84Å; R470-D472 IonicContact NE-OD1 2.73Å; R470-D472 PolarHBondContact NE-OD1 3.38Å; R470-D472 IonicContact NE-OD2 2.74Å; R470-D472 IonicContact NH2-OD1 3.36Å; R470-D472 IonicContact NH2-OD2 2.72Å; R470-D472 PolarHBondContact NH2-OD2 3.27Å; R470-D472 PolarHBondContact O-N 2.62Å; D472-G476 PolarHBondContact O-N 3.15Å |
| 473 | L | 91.4 | Very high | 90.2 | Very high | 33 Ų | 33 | 42 Ų | 42 | 17% | 0.173 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71 | -39.1 | 177.2 | -64.9 | 179.4 | 0 | 0 | 0 | 111.3 | A382 L466 R470 G476 I477 | A382-L473 HydrophobicContact CB-CD1 3.74Å; L466-L473 HydrophobicContact CD1-CB 4.15Å; L466-L473 HydrophobicContact CD1-CD1 4.46Å; L466-L473 HydrophobicContact CD2-CB 4.25Å; L466-L473 HydrophobicContact CG-CB 4.42Å; R470-L473 HydrophobicContact CB-CB 4.34Å; R470-L473 HydrophobicContact CB-CD1 4.18Å; R470-L473 HydrophobicContact CB-CG 4.38Å; R470-L473 HydrophobicContact CG-CD1 4.45Å; R470-L473 PolarHBondContact O-N 2.79Å; L473-G476 WeakPolarHBondContact O-CA 3.22Å; L473-G476 PolarHBondContact O-N 3.09Å; L473-G476 VanDerWaalsContact O-N 3.16Å; L473-I477 WeakPolarHBondContact O-CG1 3.31Å; L473-I477 PolarHBondContact O-N 2.98Å |
| 474 | Y | 91.2 | Very high | 90.1 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 4% | 0.035 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.5 | -45.3 | 175.1 | 170.9 | -100.9 | 0 | 0 | 0 | 112.4 | V462 Q467 R470 K471 G476 I477 K478 F569 | V462-Y474 HydrophobicContact CG1-CD2 4.39Å; V462-Y474 VanDerWaalsContact O-CD2 3.29Å; V462-Y474 WeakPolarHBondContact O-CD2 3.32Å; Q467-Y474 HydrophobicContact CB-CD1 4.26Å; Q467-Y474 HydrophobicContact CB-CD2 3.96Å; Q467-Y474 HydrophobicContact CB-CE1 4.21Å; Q467-Y474 HydrophobicContact CB-CE2 3.91Å; Q467-Y474 HydrophobicContact CB-CG 4.12Å; Q467-Y474 HydrophobicContact CG-CD1 4.2Å; Q467-Y474 HydrophobicContact CG-CE1 3.89Å; Q467-Y474 HydrophobicContact CG-CE2 4.4Å; Q467-Y474 PolarHBondContact OE1-OH 2.92Å; R470-Y474 PolarHBondContact O-N 3.05Å; R470-Y474 VanDerWaalsContact O-N 3.09Å; K471-Y474 PolarHBondContact O-N 3.33Å; Y474-G476 VanDerWaalsContact C-N 3.32Å; Y474-G476 PolarHBondContact O-N 3.23Å; Y474-I477 PolarHBondContact O-N 3.35Å; Y474-K478 HydrophobicContact CD1-CD 4.48Å; Y474-K478 HydrophobicContact CE1-CD 4Å; Y474-K478 VanDerWaalsContact CE1-NZ 3.27Å; Y474-K478 PolarHBondContact O-N 2.88Å; Y474-K478 WeakPolarHBondContact OH-CE 3.36Å; Y474-K478 PolarHBondContact OH-NZ 3.37Å; Y474-K478 VanDerWaalsContact OH-NZ 3.17Å; Y474-F569 HydrophobicContact CD2-CD1 4.45Å; Y474-F569 HydrophobicContact CE2-CB 4.42Å; Y474-F569 AromaticContact CE2-CD1 3.78Å; Y474-F569 HydrophobicContact CE2-CD1 3.78Å; Y474-F569 PolarHBondContact OH-O 3.41Å |
| 475 | I | 89.5 | Confident | 90 | Very high | 29 Ų | 29 | 42.8 Ų | 42.8 | 15% | 0.149 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.1 | -39.3 | 173.5 | -64.6 | 155.7 | 0 | 0 | 0 | 110.6 | K471 I477 K478 R479 D593 | K471-I475 WeakPolarHBondContact O-CB 3.41Å; K471-I475 VanDerWaalsContact O-CD1 3.28Å; K471-I475 WeakPolarHBondContact O-CD1 3.34Å; K471-I475 WeakPolarHBondContact O-CG1 3.43Å; K471-I475 PolarHBondContact O-N 3.12Å; I475-I477 VanDerWaalsContact C-N 3.35Å; I475-I477 PolarHBondContact O-N 3.48Å; I475-K478 WeakPolarHBondContact O-CB 3.31Å; I475-K478 PolarHBondContact O-N 3.4Å; I475-R479 PolarHBondContact O-N 3.36Å; I475-D593 WeakPolarHBondContact CD1-OD1 3.49Å; I475-D593 WeakPolarHBondContact CD1-OD2 3.47Å |
| 476 | G | 90.5 | Very high | 89.9 | Confident | 33 Ų | 33 | 44.3 Ų | 44.3 | 34% | 0.34 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -57 | -45.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D472 L473 Y474 R479 M480 | D472-G476 PolarHBondContact O-N 3.15Å; L473-G476 WeakPolarHBondContact O-CA 3.22Å; L473-G476 PolarHBondContact O-N 3.09Å; L473-G476 VanDerWaalsContact O-N 3.16Å; Y474-G476 VanDerWaalsContact C-N 3.32Å; Y474-G476 PolarHBondContact O-N 3.23Å; G476-R479 PolarHBondContact O-N 2.87Å; G476-M480 WeakPolarHBondContact O-CB 3.29Å; G476-M480 PolarHBondContact O-N 2.96Å |
| 477 | I | 92.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 176.6 | -66 | 172.6 | 0 | 0 | 0 | 111 | V389 M393 V462 L466 L473 Y474 I475 R479 M480 Y481 F569 | V389-I477 HydrophobicContact CB-CD1 4.27Å; V389-I477 HydrophobicContact CG1-CD1 4.25Å; V389-I477 HydrophobicContact CG1-CG2 3.71Å; M393-I477 HydrophobicContact CE-CG2 3.71Å; M393-I477 HydrophobicContact SD-CG2 4.29Å; V462-I477 HydrophobicContact CG1-CD1 4.33Å; V462-I477 HydrophobicContact CG1-CG2 4.42Å; L466-I477 HydrophobicContact CD2-CD1 3.41Å; L466-I477 VanDerWaalsContact CD2-CD1 3.41Å; L473-I477 WeakPolarHBondContact O-CG1 3.31Å; L473-I477 PolarHBondContact O-N 2.98Å; Y474-I477 PolarHBondContact O-N 3.35Å; I475-I477 VanDerWaalsContact C-N 3.35Å; I475-I477 PolarHBondContact O-N 3.48Å; I477-R479 VanDerWaalsContact C-N 3.32Å; I477-R479 PolarHBondContact O-N 2.95Å; I477-M480 PolarHBondContact O-N 2.91Å; I477-Y481 WeakPolarHBondContact O-CB 3.29Å; I477-Y481 PolarHBondContact O-N 2.94Å; I477-F569 HydrophobicContact CG2-CE1 4Å; I477-F569 HydrophobicContact CG2-CZ 4.31Å |
| 478 | K | 91.7 | Very high | 89.2 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.6 | -48.4 | 174.4 | -77.3 | -179.6 | 168.9 | 177.8 | 0 | 111.6 | Y474 I475 Y481 I482 F569 F571 L595 | Y474-K478 HydrophobicContact CD1-CD 4.48Å; Y474-K478 HydrophobicContact CE1-CD 4Å; Y474-K478 VanDerWaalsContact CE1-NZ 3.27Å; Y474-K478 PolarHBondContact O-N 2.88Å; Y474-K478 WeakPolarHBondContact OH-CE 3.36Å; Y474-K478 PolarHBondContact OH-NZ 3.37Å; Y474-K478 VanDerWaalsContact OH-NZ 3.17Å; I475-K478 WeakPolarHBondContact O-CB 3.31Å; I475-K478 PolarHBondContact O-N 3.4Å; K478-Y481 PolarHBondContact O-N 3.27Å; K478-I482 VanDerWaalsContact O-CG1 3.32Å; K478-I482 WeakPolarHBondContact O-CG1 3.22Å; K478-I482 PolarHBondContact O-N 3.31Å; K478-F569 HydrophobicContact CB-CE1 4.3Å; K478-F569 HydrophobicContact CB-CZ 4.28Å; K478-F569 HydrophobicContact CD-CD1 4.47Å; K478-F569 HydrophobicContact CG-CD1 3.62Å; K478-F569 HydrophobicContact CG-CD2 4.36Å; K478-F569 HydrophobicContact CG-CE1 3.43Å; K478-F569 VanDerWaalsContact CG-CE1 3.43Å; K478-F569 HydrophobicContact CG-CE2 4.19Å; K478-F569 HydrophobicContact CG-CG 4.09Å; K478-F569 HydrophobicContact CG-CZ 3.75Å; K478-F571 VanDerWaalsContact NZ-CE1 3.32Å; K478-F571 VanDerWaalsContact NZ-CZ 3.34Å; K478-L595 HydrophobicContact CB-CD1 4.11Å; K478-L595 HydrophobicContact CD-CB 4.28Å; K478-L595 PolarHBondContact NZ-O 3.36Å |
| 479 | R | 91.3 | Very high | 89.3 | Confident | 129 Ų | 129 | 44 Ų | 44 | 49% | 0.487 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.4 | -48.5 | 179.2 | -174.5 | -179.5 | -56.4 | 178.3 | 3.4 | 111.3 | I475 G476 I477 Y481 I482 E483 L595 | I475-R479 PolarHBondContact O-N 3.36Å; G476-R479 PolarHBondContact O-N 2.87Å; I477-R479 VanDerWaalsContact C-N 3.32Å; I477-R479 PolarHBondContact O-N 2.95Å; R479-Y481 VanDerWaalsContact C-N 3.32Å; R479-Y481 PolarHBondContact O-N 2.88Å; R479-I482 PolarHBondContact O-N 3.48Å; R479-E483 WeakPolarHBondContact CD-OE1 3.42Å; R479-E483 HydrophobicContact CG-CG 4.27Å; R479-E483 VanDerWaalsContact CG-OE1 3.24Å; R479-E483 WeakPolarHBondContact CG-OE1 3.32Å; R479-E483 WeakPolarHBondContact O-CB 3.48Å; R479-E483 WeakPolarHBondContact O-CG 3.28Å; R479-E483 PolarHBondContact O-N 3.26Å; R479-L595 HydrophobicContact CB-CD1 4.1Å |
| 480 | M | 90.4 | Very high | 89.3 | Confident | 47 Ų | 47 | 46.4 Ų | 46.4 | 23% | 0.232 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.2 | -45.1 | 177.7 | -175.4 | 59.9 | 62.5 | 0 | 0 | 111.4 | L394 G476 I477 I482 E483 K484 | L394-M480 HydrophobicContact CD2-SD 4.5Å; G476-M480 WeakPolarHBondContact O-CB 3.29Å; G476-M480 PolarHBondContact O-N 2.96Å; I477-M480 PolarHBondContact O-N 2.91Å; M480-I482 PolarHBondContact O-N 3.31Å; M480-E483 PolarHBondContact O-N 3.43Å; M480-K484 HydrophobicContact CG-CG 4.42Å; M480-K484 WeakPolarHBondContact O-CB 3.35Å; M480-K484 VanDerWaalsContact O-CG 3.27Å; M480-K484 WeakPolarHBondContact O-CG 3.24Å; M480-K484 PolarHBondContact O-N 3.41Å; M480-K484 HydrophobicContact SD-CD 4.31Å; M480-K484 WeakPolarHBondContact SD-CE 3.46Å; M480-K484 HydrophobicContact SD-CG 3.83Å |
| 481 | Y | 91.8 | Very high | 89 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59 | -49.2 | 177.9 | -176.4 | -97.3 | 0 | 0 | 0 | 112.1 | M393 Y448 L455 I477 K478 R479 K484 S485 E561 F564 L565 F569 | M393-Y481 HydrophobicContact CE-CD2 3.62Å; M393-Y481 HydrophobicContact CE-CG 4.16Å; M393-Y481 HydrophobicContact CG-CD2 4.45Å; M393-Y481 HydrophobicContact SD-CD2 3.92Å; M393-Y481 HydrophobicContact SD-CG 4.41Å; Y448-Y481 PolarHBondContact OH-OH 2.8Å; L455-Y481 HydrophobicContact CD1-CE2 4.34Å; I477-Y481 WeakPolarHBondContact O-CB 3.29Å; I477-Y481 PolarHBondContact O-N 2.94Å; K478-Y481 PolarHBondContact O-N 3.27Å; R479-Y481 VanDerWaalsContact C-N 3.32Å; R479-Y481 PolarHBondContact O-N 2.88Å; Y481-K484 PolarHBondContact O-N 3.03Å; Y481-S485 WeakPolarHBondContact O-CB 3.21Å; Y481-S485 PolarHBondContact O-N 3.14Å; Y481-S485 PolarHBondContact O-OG 2.85Å; Y481-E561 WeakPolarHBondContact CE1-OE1 3.22Å; Y481-E561 PolarHBondContact OH-OE1 3.37Å; Y481-F564 HydrophobicContact CE1-CE1 4.15Å; Y481-F564 AromaticContact CE2-CE1 3.79Å; Y481-F564 HydrophobicContact CE2-CE1 3.79Å; Y481-F564 HydrophobicContact CE2-CZ 4.38Å; Y481-F564 AromaticContact CZ-CE1 3.48Å; Y481-F564 VanDerWaalsContact CZ-CE1 3.48Å; Y481-F564 VanDerWaalsContact OH-CE1 3.28Å; Y481-F564 WeakPolarHBondContact OH-CE1 3.3Å; Y481-L565 HydrophobicContact CD1-CD2 3.73Å; Y481-L565 HydrophobicContact CE1-CD2 3.52Å; Y481-L565 HydrophobicContact CE1-CG 4.46Å; Y481-F569 HydrophobicContact CD1-CE2 4.37Å; Y481-F569 HydrophobicContact CG-CE2 4.44Å; Y481-F569 HydrophobicContact CG-CZ 4.49Å |
| 482 | I | 90.8 | Very high | 88.9 | Confident | 11 Ų | 11 | 45.3 Ų | 45.3 | 6% | 0.056 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.2 | -52.1 | -179.5 | -69.2 | 169 | 0 | 0 | 0 | 110 | K478 R479 M480 K484 S485 Q486 L595 C601 H604 | K478-I482 VanDerWaalsContact O-CG1 3.32Å; K478-I482 WeakPolarHBondContact O-CG1 3.22Å; K478-I482 PolarHBondContact O-N 3.31Å; R479-I482 PolarHBondContact O-N 3.48Å; M480-I482 PolarHBondContact O-N 3.31Å; I482-K484 VanDerWaalsContact C-N 3.29Å; I482-K484 PolarHBondContact O-N 2.97Å; I482-S485 PolarHBondContact O-N 3.2Å; I482-Q486 WeakPolarHBondContact O-CB 3.31Å; I482-Q486 PolarHBondContact O-N 3.22Å; I482-L595 HydrophobicContact CD1-CD1 3.99Å; I482-L595 HydrophobicContact CD1-CD2 3.37Å; I482-L595 HydrophobicContact CD1-CG 4.29Å; I482-C601 HydrophobicContact CD1-CB 4.06Å; I482-H604 HydrophobicContact CD1-CB 4.41Å; I482-H604 HydrophobicContact CG2-CB 3.98Å |
| 483 | E | 88.7 | Confident | 89 | Confident | 103 Ų | 103 | 41.5 Ų | 41.5 | 48% | 0.481 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -56.6 | -41.8 | -179.1 | -75.1 | 177.7 | -172.5 | 0 | 0 | 112.4 | R479 M480 | R479-E483 WeakPolarHBondContact CD-OE1 3.42Å; R479-E483 HydrophobicContact CG-CG 4.27Å; R479-E483 VanDerWaalsContact CG-OE1 3.24Å; R479-E483 WeakPolarHBondContact CG-OE1 3.32Å; R479-E483 WeakPolarHBondContact O-CB 3.48Å; R479-E483 WeakPolarHBondContact O-CG 3.28Å; R479-E483 PolarHBondContact O-N 3.26Å; M480-E483 PolarHBondContact O-N 3.43Å |
| 484 | K | 87 | Confident | 89 | Confident | 79 Ų | 79 | 43.2 Ų | 43.2 | 34% | 0.343 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -77.6 | -35.5 | -178.9 | -62.2 | -56.5 | 170.9 | -171.1 | 0 | 112.8 | L394 A397 M480 Y481 I482 S487 | L394-K484 HydrophobicContact CD2-CD 4.28Å; A397-K484 HydrophobicContact CB-CB 3.93Å; A397-K484 HydrophobicContact CB-CD 4.37Å; A397-K484 HydrophobicContact CB-CG 4.33Å; M480-K484 HydrophobicContact CG-CG 4.42Å; M480-K484 WeakPolarHBondContact O-CB 3.35Å; M480-K484 VanDerWaalsContact O-CG 3.27Å; M480-K484 WeakPolarHBondContact O-CG 3.24Å; M480-K484 PolarHBondContact O-N 3.41Å; M480-K484 HydrophobicContact SD-CD 4.31Å; M480-K484 WeakPolarHBondContact SD-CE 3.46Å; M480-K484 HydrophobicContact SD-CG 3.83Å; Y481-K484 PolarHBondContact O-N 3.03Å; I482-K484 VanDerWaalsContact C-N 3.29Å; I482-K484 PolarHBondContact O-N 2.97Å; K484-S487 PolarHBondContact O-OG 3.01Å |
| 485 | S | 87.6 | Confident | 88.8 | Confident | 5 Ų | 5 | 44.7 Ų | 44.7 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -84.1 | -28.9 | -176.3 | -60.4 | 0 | 0 | 0 | 0 | 113.8 | Y448 Y481 I482 S487 F488 F489 | Y448-S485 VanDerWaalsContact OH-CB 3.29Å; Y448-S485 WeakPolarHBondContact OH-CB 3.36Å; Y448-S485 PolarHBondContact OH-OG 2.84Å; Y481-S485 WeakPolarHBondContact O-CB 3.21Å; Y481-S485 PolarHBondContact O-N 3.14Å; Y481-S485 PolarHBondContact O-OG 2.85Å; I482-S485 PolarHBondContact O-N 3.2Å; S485-S487 VanDerWaalsContact C-N 3.31Å; S485-S487 PolarHBondContact O-N 2.92Å; S485-F488 WeakPolarHBondContact O-CB 3.31Å; S485-F488 PolarHBondContact O-N 3.18Å; S485-F488 VanDerWaalsContact O-N 3.11Å; S485-F489 VanDerWaalsContact O-CD2 3.24Å; S485-F489 WeakPolarHBondContact O-CD2 3.42Å; S485-F489 PolarHBondContact O-N 3.12Å; S485-F489 VanDerWaalsContact O-N 3.12Å |
| 486 | Q | 88.7 | Confident | 88.8 | Confident | 49 Ų | 49 | 44.7 Ų | 44.7 | 23% | 0.229 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.6 | -43.9 | -178.5 | -176.9 | -173.1 | 14.8 | 0 | 0 | 112.3 | I482 F488 F489 K490 L605 D607 | I482-Q486 WeakPolarHBondContact O-CB 3.31Å; I482-Q486 PolarHBondContact O-N 3.22Å; Q486-F488 VanDerWaalsContact C-N 3.28Å; Q486-F488 PolarHBondContact O-N 2.77Å; Q486-F489 PolarHBondContact O-N 2.93Å; Q486-K490 VanDerWaalsContact O-CB 3.25Å; Q486-K490 WeakPolarHBondContact O-CB 3.43Å; Q486-K490 PolarHBondContact O-N 3.1Å; Q486-L605 HydrophobicContact CB-CD1 4.39Å; Q486-D607 PolarHBondContact NE2-OD1 3.29Å; Q486-D607 PolarHBondContact NE2-OD2 2.93Å |
| 487 | S | 83.7 | Confident | 89 | Confident | 84 Ų | 84 | 43.5 Ų | 43.5 | 59% | 0.587 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -60.7 | -37.7 | 179.8 | 69.3 | 0 | 0 | 0 | 0 | 112.8 | K484 S485 R491 | K484-S487 PolarHBondContact O-OG 3.01Å; S485-S487 VanDerWaalsContact C-N 3.31Å; S485-S487 PolarHBondContact O-N 2.92Å; S487-R491 WeakPolarHBondContact O-CB 3.33Å; S487-R491 PolarHBondContact O-N 3.32Å; S487-R491 VanDerWaalsContact O-N 3.15Å |
| 488 | F | 83.7 | Confident | 89 | Confident | 13 Ų | 13 | 49.5 Ų | 49.5 | 6% | 0.057 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -71.2 | -48.1 | 179.3 | 173.9 | -112.9 | 0 | 0 | 0 | 111.8 | L400 V404 A444 Y448 S485 Q486 R491 Q492 | L400-F488 HydrophobicContact CB-CD2 4.43Å; L400-F488 HydrophobicContact CD2-CD2 4.34Å; L400-F488 HydrophobicContact CD2-CE1 4.42Å; L400-F488 HydrophobicContact CD2-CE2 3.92Å; L400-F488 HydrophobicContact CD2-CZ 3.94Å; V404-F488 HydrophobicContact CG2-CD2 4.01Å; V404-F488 HydrophobicContact CG2-CE2 3.9Å; A444-F488 HydrophobicContact CB-CE2 3.82Å; A444-F488 HydrophobicContact CB-CZ 4.05Å; Y448-F488 AromaticContact CD2-CD1 3.53Å; Y448-F488 HydrophobicContact CD2-CD1 3.53Å; Y448-F488 AromaticContact CD2-CE1 3.14Å; Y448-F488 HydrophobicContact CD2-CE1 3.14Å; Y448-F488 AromaticContact CD2-CZ 3.96Å; Y448-F488 HydrophobicContact CD2-CZ 3.96Å; Y448-F488 AromaticContact CE2-CD1 3.38Å; Y448-F488 HydrophobicContact CE2-CD1 3.38Å; Y448-F488 AromaticContact CE2-CE1 3.53Å; Y448-F488 HydrophobicContact CE2-CE1 3.53Å; Y448-F488 HydrophobicContact CE2-CG 4.35Å; Y448-F488 AromaticContact CG-CE1 3.87Å; Y448-F488 HydrophobicContact CG-CE1 3.87Å; S485-F488 WeakPolarHBondContact O-CB 3.31Å; S485-F488 PolarHBondContact O-N 3.18Å; S485-F488 VanDerWaalsContact O-N 3.11Å; Q486-F488 VanDerWaalsContact C-N 3.28Å; Q486-F488 PolarHBondContact O-N 2.77Å; F488-R491 PolarHBondContact O-N 3.47Å; F488-Q492 VanDerWaalsContact CD1-NE2 3.31Å; F488-Q492 HydrophobicContact CE2-CG 4.21Å; F488-Q492 HydrophobicContact CZ-CG 4.2Å; F488-Q492 PolarHBondContact O-N 2.89Å |
| 489 | F | 89.1 | Confident | 88.9 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 177.9 | -69 | -56.9 | 0 | 0 | 0 | 112.3 | Y448 S485 Q486 R491 Q492 I493 L557 E561 L605 F606 | Y448-F489 HydrophobicContact CE1-CE1 4.49Å; Y448-F489 AromaticContact CE1-CZ 3.75Å; Y448-F489 HydrophobicContact CE1-CZ 3.75Å; Y448-F489 HydrophobicContact CE2-CZ 4.23Å; Y448-F489 AromaticContact CZ-CE2 3.96Å; Y448-F489 AromaticContact CZ-CZ 3.48Å; Y448-F489 VanDerWaalsContact CZ-CZ 3.48Å; Y448-F489 VanDerWaalsContact OH-CE2 3.28Å; Y448-F489 WeakPolarHBondContact OH-CE2 3.42Å; Y448-F489 VanDerWaalsContact OH-CZ 3.26Å; Y448-F489 WeakPolarHBondContact OH-CZ 3.44Å; S485-F489 VanDerWaalsContact O-CD2 3.24Å; S485-F489 WeakPolarHBondContact O-CD2 3.42Å; S485-F489 PolarHBondContact O-N 3.12Å; S485-F489 VanDerWaalsContact O-N 3.12Å; Q486-F489 PolarHBondContact O-N 2.93Å; F489-R491 VanDerWaalsContact C-N 3.29Å; F489-R491 PolarHBondContact O-N 2.68Å; F489-Q492 PolarHBondContact O-N 2.97Å; F489-I493 WeakPolarHBondContact O-CB 3.22Å; F489-I493 WeakPolarHBondContact O-CG1 3.46Å; F489-I493 PolarHBondContact O-N 3.34Å; F489-L557 HydrophobicContact CD1-CD1 3.89Å; F489-L557 HydrophobicContact CD1-CD2 4.03Å; F489-L557 HydrophobicContact CD1-CG 3.96Å; F489-L557 HydrophobicContact CE1-CD1 3.77Å; F489-L557 HydrophobicContact CE1-CG 4.21Å; F489-E561 HydrophobicContact CE1-CG 4.37Å; F489-E561 HydrophobicContact CE2-CG 3.74Å; F489-E561 HydrophobicContact CZ-CB 4.24Å; F489-E561 VanDerWaalsContact CZ-CD 3.48Å; F489-E561 HydrophobicContact CZ-CG 3.56Å; F489-E561 VanDerWaalsContact CZ-OE2 3.3Å; F489-E561 WeakPolarHBondContact CZ-OE2 3.25Å; F489-L605 HydrophobicContact CD2-CD1 3.73Å; F489-L605 HydrophobicContact CD2-CD2 4.16Å; F489-L605 HydrophobicContact CD2-CG 3.94Å; F489-L605 HydrophobicContact CE2-CD1 3.98Å; F489-L605 HydrophobicContact CE2-CD2 3.92Å; F489-L605 HydrophobicContact CE2-CG 4.2Å; F489-F606 HydrophobicContact CB-CD1 4.31Å; F489-F606 HydrophobicContact CB-CE1 3.84Å; F489-F606 HydrophobicContact CD1-CE1 4.16Å; F489-F606 HydrophobicContact CD1-CZ 4.39Å; F489-F606 HydrophobicContact CD2-CE1 4.33Å; F489-F606 HydrophobicContact CD2-CZ 4.34Å; F489-F606 AromaticContact CG-CE1 3.86Å; F489-F606 HydrophobicContact CG-CE1 3.86Å; F489-F606 HydrophobicContact CG-CZ 4.21Å |
| 490 | K | 88.7 | Confident | 89 | Confident | 73 Ų | 73 | 46.5 Ų | 46.5 | 32% | 0.317 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -54.7 | -47 | 173 | -177.8 | 171.7 | -174.1 | 160.7 | 0 | 111.1 | Q486 Q494 N608 | Q486-K490 VanDerWaalsContact O-CB 3.25Å; Q486-K490 WeakPolarHBondContact O-CB 3.43Å; Q486-K490 PolarHBondContact O-N 3.1Å; K490-Q494 WeakPolarHBondContact O-CB 3.25Å; K490-Q494 WeakPolarHBondContact O-CG 3.48Å; K490-Q494 PolarHBondContact O-N 3.03Å; K490-N608 HydrophobicContact CD-CB 4.37Å; K490-N608 VanDerWaalsContact NZ-CG 3.31Å; K490-N608 PolarHBondContact NZ-ND2 2.94Å; K490-N608 PolarHBondContact NZ-OD1 3.11Å; K490-N608 VanDerWaalsContact NZ-OD1 3.15Å |
| 491 | R | 85.3 | Confident | 89.1 | Confident | 137 Ų | 137 | 46.6 Ų | 46.6 | 52% | 0.517 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.9 | -43.9 | 179.5 | -175.1 | 59.6 | 171.2 | 175.5 | -1.4 | 112.6 | V404 F441 S487 F488 F489 E495 | V404-R491 HydrophobicContact CG1-CG 3.89Å; F441-R491 HydrophobicContact CZ-CG 4.47Å; S487-R491 WeakPolarHBondContact O-CB 3.33Å; S487-R491 PolarHBondContact O-N 3.32Å; S487-R491 VanDerWaalsContact O-N 3.15Å; F488-R491 PolarHBondContact O-N 3.47Å; F489-R491 VanDerWaalsContact C-N 3.29Å; F489-R491 PolarHBondContact O-N 2.68Å; R491-E495 PolarHBondContact O-N 3.14Å; R491-E495 VanDerWaalsContact O-N 3.14Å |
| 492 | Q | 85.1 | Confident | 89 | Confident | 27 Ų | 27 | 50.3 Ų | 50.3 | 13% | 0.126 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.4 | -47.5 | 177.2 | -79.2 | -170.9 | 83.6 | 0 | 0 | 112.5 | F441 F488 F489 Q494 E495 V496 L557 | F441-Q492 HydrophobicContact CD1-CG 3.87Å; F441-Q492 HydrophobicContact CE1-CB 4.49Å; F441-Q492 HydrophobicContact CE1-CG 3.69Å; F488-Q492 VanDerWaalsContact CD1-NE2 3.31Å; F488-Q492 HydrophobicContact CE2-CG 4.21Å; F488-Q492 HydrophobicContact CZ-CG 4.2Å; F488-Q492 PolarHBondContact O-N 2.89Å; F489-Q492 PolarHBondContact O-N 2.97Å; Q492-Q494 PolarHBondContact O-N 3.15Å; Q492-E495 PolarHBondContact O-N 2.82Å; Q492-V496 WeakPolarHBondContact O-CG2 3.48Å; Q492-V496 PolarHBondContact O-N 3.09Å; Q492-L557 HydrophobicContact CB-CD2 4.14Å |
| 493 | I | 90.9 | Very high | 89 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 179.4 | -71.6 | 166.4 | 0 | 0 | 0 | 110.1 | F489 E495 V496 L497 I554 L557 F606 V609 | F489-I493 WeakPolarHBondContact O-CB 3.22Å; F489-I493 WeakPolarHBondContact O-CG1 3.46Å; F489-I493 PolarHBondContact O-N 3.34Å; I493-E495 PolarHBondContact O-N 3.27Å; I493-V496 PolarHBondContact O-N 3.24Å; I493-L497 HydrophobicContact CG2-CD1 3.8Å; I493-L497 HydrophobicContact CG2-CG 4.34Å; I493-L497 WeakPolarHBondContact O-CB 3.44Å; I493-L497 VanDerWaalsContact O-CG 3.26Å; I493-L497 WeakPolarHBondContact O-CG 3.16Å; I493-L497 PolarHBondContact O-N 2.85Å; I493-I554 HydrophobicContact CG2-CD1 4.48Å; I493-L557 HydrophobicContact CG1-CD2 4Å; I493-F606 HydrophobicContact CD1-CD1 3.84Å; I493-F606 HydrophobicContact CD1-CE1 4.13Å; I493-V609 HydrophobicContact CD1-CB 4.15Å; I493-V609 HydrophobicContact CD1-CG2 3.84Å; I493-V609 HydrophobicContact CG2-CG2 4.06Å |
| 494 | Q | 90.6 | Very high | 89 | Confident | 68 Ų | 68 | 47.5 Ų | 47.5 | 32% | 0.318 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60 | -33 | 178.7 | -75.5 | -179.9 | -13.2 | 0 | 0 | 113 | K490 Q492 K498 | K490-Q494 WeakPolarHBondContact O-CB 3.25Å; K490-Q494 WeakPolarHBondContact O-CG 3.48Å; K490-Q494 PolarHBondContact O-N 3.03Å; Q492-Q494 PolarHBondContact O-N 3.15Å; Q494-K498 VanDerWaalsContact O-CB 3.27Å; Q494-K498 WeakPolarHBondContact O-CB 3.33Å; Q494-K498 PolarHBondContact O-N 3.45Å |
| 495 | E | 86.7 | Confident | 89.1 | Confident | 40 Ų | 40 | 43.8 Ų | 43.8 | 19% | 0.187 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -73.4 | -45.4 | 176.4 | -168 | -156.3 | -176 | 0 | 0 | 112.2 | I437 F441 R491 Q492 I493 L497 K498 C499 | I437-E495 WeakPolarHBondContact CG2-OE1 3.44Å; F441-E495 WeakPolarHBondContact CD1-OE2 3.3Å; F441-E495 VanDerWaalsContact CD2-CD 3.42Å; F441-E495 VanDerWaalsContact CD2-OE1 3.28Å; F441-E495 WeakPolarHBondContact CD2-OE1 3.3Å; F441-E495 WeakPolarHBondContact CD2-OE2 3.47Å; F441-E495 WeakPolarHBondContact CE1-OE2 3.43Å; F441-E495 HydrophobicContact CE2-CG 4.26Å; F441-E495 VanDerWaalsContact CE2-OE1 3.24Å; F441-E495 WeakPolarHBondContact CE2-OE1 3.2Å; F441-E495 WeakPolarHBondContact CE2-OE2 3.26Å; F441-E495 VanDerWaalsContact CG-OE2 3.27Å; F441-E495 WeakPolarHBondContact CG-OE2 3.33Å; F441-E495 HydrophobicContact CZ-CB 4.42Å; F441-E495 HydrophobicContact CZ-CG 4.42Å; F441-E495 WeakPolarHBondContact CZ-OE2 3.3Å; R491-E495 PolarHBondContact O-N 3.14Å; R491-E495 VanDerWaalsContact O-N 3.14Å; Q492-E495 PolarHBondContact O-N 2.82Å; I493-E495 PolarHBondContact O-N 3.27Å; E495-L497 PolarHBondContact O-N 3.13Å; E495-K498 PolarHBondContact O-N 3.33Å; E495-K498 VanDerWaalsContact O-N 3.1Å; E495-C499 PolarHBondContact O-N 2.97Å; E495-C499 PolarHBondContact O-SG 3.37Å |
| 496 | V | 91 | Very high | 89 | Confident | 30 Ų | 30 | 49 Ų | 49 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.3 | -44.8 | 173.2 | 172.9 | 0 | 0 | 0 | 0 | 110 | Q492 I493 C499 T500 K553 I554 | Q492-V496 WeakPolarHBondContact O-CG2 3.48Å; Q492-V496 PolarHBondContact O-N 3.09Å; I493-V496 PolarHBondContact O-N 3.24Å; V496-C499 PolarHBondContact O-N 3.5Å; V496-T500 WeakPolarHBondContact O-CB 3.37Å; V496-T500 PolarHBondContact O-N 3.3Å; V496-T500 PolarHBondContact O-OG1 3Å; V496-K553 HydrophobicContact CG1-CB 4.19Å; V496-K553 HydrophobicContact CG1-CD 4.28Å; V496-K553 HydrophobicContact CG2-CB 4.43Å; V496-K553 HydrophobicContact CG2-CD 4.45Å; V496-I554 HydrophobicContact CG1-CD1 4.36Å; V496-I554 HydrophobicContact CG1-CG1 4.09Å |
| 497 | L | 94.2 | Very high | 88.7 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 176.6 | -67.1 | 173 | 0 | 0 | 0 | 112 | I493 E495 T500 Q501 I554 D612 I613 L616 | I493-L497 HydrophobicContact CG2-CD1 3.8Å; I493-L497 HydrophobicContact CG2-CG 4.34Å; I493-L497 WeakPolarHBondContact O-CB 3.44Å; I493-L497 VanDerWaalsContact O-CG 3.26Å; I493-L497 WeakPolarHBondContact O-CG 3.16Å; I493-L497 PolarHBondContact O-N 2.85Å; E495-L497 PolarHBondContact O-N 3.13Å; L497-T500 WeakPolarHBondContact O-CB 3.47Å; L497-T500 PolarHBondContact O-N 3.23Å; L497-Q501 VanDerWaalsContact O-CG 3.3Å; L497-Q501 WeakPolarHBondContact O-CG 3.24Å; L497-Q501 PolarHBondContact O-N 3.46Å; L497-I554 HydrophobicContact CD2-CD1 3.89Å; L497-I554 HydrophobicContact CG-CD1 4.25Å; L497-D612 HydrophobicContact CD1-CB 3.59Å; L497-I613 HydrophobicContact CD1-CG1 4.4Å; L497-I613 HydrophobicContact CD2-CG1 4.17Å; L497-L616 HydrophobicContact CD2-CB 4.29Å; L497-L616 HydrophobicContact CD2-CD2 3.75Å |
| 498 | K | 91.2 | Very high | 88.4 | Confident | 126 Ų | 126 | 45.3 Ų | 45.3 | 55% | 0.548 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.5 | -45.8 | 176.1 | -175.6 | 176.6 | -179.9 | 178.2 | 0 | 112.1 | Q494 E495 T500 Q501 D502 | Q494-K498 VanDerWaalsContact O-CB 3.27Å; Q494-K498 WeakPolarHBondContact O-CB 3.33Å; Q494-K498 PolarHBondContact O-N 3.45Å; E495-K498 PolarHBondContact O-N 3.33Å; E495-K498 VanDerWaalsContact O-N 3.1Å; K498-T500 PolarHBondContact O-N 3.06Å; K498-Q501 PolarHBondContact O-N 2.89Å; K498-D502 PolarHBondContact O-N 3.38Å |
| 499 | C | 90.2 | Very high | 87.7 | Confident | 63 Ų | 63 | 52.4 Ų | 52.4 | 43% | 0.426 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.8 | -36.8 | 174.3 | -71.7 | 0 | 0 | 0 | 0 | 111.8 | E495 V496 S503 | E495-C499 PolarHBondContact O-N 2.97Å; E495-C499 PolarHBondContact O-SG 3.37Å; V496-C499 PolarHBondContact O-N 3.5Å; C499-S503 VanDerWaalsContact O-CB 3.31Å; C499-S503 WeakPolarHBondContact O-CB 3.49Å; C499-S503 PolarHBondContact O-N 2.88Å; C499-S503 PolarHBondContact O-OG 3.25Å |
| 500 | T | 92.8 | Very high | 85.9 | Confident | 9 Ų | 9 | 57.1 Ų | 57.1 | 6% | 0.055 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.4 | -48.8 | 175.5 | -55.8 | 0 | 0 | 0 | 0 | 110.6 | V496 L497 K498 D502 S503 V504 I546 F547 C550 L616 | V496-T500 WeakPolarHBondContact O-CB 3.37Å; V496-T500 PolarHBondContact O-N 3.3Å; V496-T500 PolarHBondContact O-OG1 3Å; L497-T500 WeakPolarHBondContact O-CB 3.47Å; L497-T500 PolarHBondContact O-N 3.23Å; K498-T500 PolarHBondContact O-N 3.06Å; T500-D502 PolarHBondContact O-N 3.39Å; T500-S503 PolarHBondContact O-N 3.02Å; T500-V504 WeakPolarHBondContact O-CG2 3.18Å; T500-V504 PolarHBondContact O-N 2.92Å; T500-I546 HydrophobicContact CG2-CG2 3.84Å; T500-F547 HydrophobicContact CG2-CD1 4.09Å; T500-F547 HydrophobicContact CG2-CE1 4.31Å; T500-C550 HydrophobicContact CG2-CB 3.87Å; T500-C550 WeakPolarHBondContact OG1-CB 3.41Å; T500-C550 PolarHBondContact OG1-SG 3.28Å; T500-L616 HydrophobicContact CG2-CD2 4.47Å |
| 501 | Q | 93.1 | Very high | 83.7 | Confident | 49 Ų | 49 | 56.3 Ų | 56.3 | 23% | 0.229 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.8 | -48 | 176.3 | -70.9 | 173.3 | -9 | 0 | 0 | 111.8 | L497 K498 S503 V504 A505 L616 Y619 | L497-Q501 VanDerWaalsContact O-CG 3.3Å; L497-Q501 WeakPolarHBondContact O-CG 3.24Å; L497-Q501 PolarHBondContact O-N 3.46Å; K498-Q501 PolarHBondContact O-N 2.89Å; Q501-S503 VanDerWaalsContact C-N 3.34Å; Q501-S503 PolarHBondContact O-N 3.03Å; Q501-V504 PolarHBondContact O-N 3.36Å; Q501-A505 VanDerWaalsContact O-CB 3.24Å; Q501-A505 WeakPolarHBondContact O-CB 3.39Å; Q501-A505 PolarHBondContact O-N 2.86Å; Q501-L616 HydrophobicContact CG-CD1 3.68Å; Q501-Y619 HydrophobicContact CB-CD1 4.14Å; Q501-Y619 HydrophobicContact CB-CE1 3.72Å; Q501-Y619 HydrophobicContact CG-CD1 3.68Å; Q501-Y619 HydrophobicContact CG-CE1 3.82Å; Q501-Y619 HydrophobicContact CG-CG 4.1Å |
| 502 | D | 89.8 | Confident | 81.1 | Confident | 80 Ų | 80 | 59.9 Ų | 59.9 | 43% | 0.428 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 178.3 | -73.7 | -26 | 0 | 0 | 0 | 111.5 | K498 T500 A505 N506 | K498-D502 PolarHBondContact O-N 3.38Å; T500-D502 PolarHBondContact O-N 3.39Å; D502-A505 PolarHBondContact O-N 3.36Å; D502-N506 VanDerWaalsContact O-CB 3.31Å; D502-N506 WeakPolarHBondContact O-CB 3.41Å; D502-N506 PolarHBondContact O-N 3.09Å; D502-N506 PolarHBondContact O-ND2 3.37Å |
| 503 | S | 90.7 | Very high | 78.5 | Confident | 54 Ų | 54 | 63.5 Ų | 63.5 | 38% | 0.378 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.8 | -46.5 | 178.5 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | C499 T500 Q501 N506 L507 | C499-S503 VanDerWaalsContact O-CB 3.31Å; C499-S503 WeakPolarHBondContact O-CB 3.49Å; C499-S503 PolarHBondContact O-N 2.88Å; C499-S503 PolarHBondContact O-OG 3.25Å; T500-S503 PolarHBondContact O-N 3.02Å; Q501-S503 VanDerWaalsContact C-N 3.34Å; Q501-S503 PolarHBondContact O-N 3.03Å; S503-N506 PolarHBondContact O-N 3.48Å; S503-L507 WeakPolarHBondContact O-CB 3.45Å; S503-L507 PolarHBondContact O-N 3.22Å; S503-L507 VanDerWaalsContact O-N 3.11Å |
| 504 | V | 90 | Very high | 75.7 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.006 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 176.4 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | T500 Q501 N506 L507 V508 I546 F547 L623 L627 | T500-V504 WeakPolarHBondContact O-CG2 3.18Å; T500-V504 PolarHBondContact O-N 2.92Å; Q501-V504 PolarHBondContact O-N 3.36Å; V504-N506 VanDerWaalsContact C-N 3.35Å; V504-N506 PolarHBondContact O-N 3.49Å; V504-L507 PolarHBondContact O-N 3Å; V504-V508 HydrophobicContact CG1-CG2 4.2Å; V504-V508 WeakPolarHBondContact O-CB 3.29Å; V504-V508 VanDerWaalsContact O-CG2 3.27Å; V504-V508 WeakPolarHBondContact O-CG2 3.38Å; V504-V508 PolarHBondContact O-N 3.4Å; V504-I546 HydrophobicContact CG2-CG2 3.91Å; V504-F547 HydrophobicContact CG2-CE1 3.97Å; V504-F547 HydrophobicContact CG2-CZ 4.29Å; V504-L623 HydrophobicContact CG1-CD2 3.93Å; V504-L627 HydrophobicContact CG1-CD1 3.76Å; V504-L627 HydrophobicContact CG1-CD2 4.31Å |
| 505 | A | 87.8 | Confident | 72.8 | Confident | 1 Ų | 1 | 78 Ų | 78 | 1% | 0.008 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q501 D502 L507 V508 R509 Y619 L623 | Q501-A505 VanDerWaalsContact O-CB 3.24Å; Q501-A505 WeakPolarHBondContact O-CB 3.39Å; Q501-A505 PolarHBondContact O-N 2.86Å; D502-A505 PolarHBondContact O-N 3.36Å; A505-L507 VanDerWaalsContact C-N 3.29Å; A505-V508 PolarHBondContact O-N 3.26Å; A505-R509 WeakPolarHBondContact O-CB 3.33Å; A505-R509 WeakPolarHBondContact O-CG 3.45Å; A505-R509 PolarHBondContact O-N 2.91Å; A505-Y619 WeakPolarHBondContact CB-OH 3.16Å; A505-L623 HydrophobicContact CB-CD2 4.35Å |
| 506 | N | 85.4 | Confident | 70.1 | Confident | 114 Ų | 114 | 83.9 Ų | 83.9 | 61% | 0.61 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.9 | -32 | 176.7 | -71.6 | -27.3 | 0 | 0 | 0 | 112.3 | D502 S503 V504 | D502-N506 VanDerWaalsContact O-CB 3.31Å; D502-N506 WeakPolarHBondContact O-CB 3.41Å; D502-N506 PolarHBondContact O-N 3.09Å; D502-N506 PolarHBondContact O-ND2 3.37Å; S503-N506 PolarHBondContact O-N 3.48Å; V504-N506 VanDerWaalsContact C-N 3.35Å; V504-N506 PolarHBondContact O-N 3.49Å |
| 507 | L | 83.3 | Confident | 67.2 | Low | 43 Ų | 43 | 91.9 Ų | 91.9 | 23% | 0.225 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -75.8 | -34.8 | 178.6 | -168.4 | 62.7 | 0 | 0 | 0 | 112.3 | S503 V504 A505 L539 Q542 V543 I546 | S503-L507 WeakPolarHBondContact O-CB 3.45Å; S503-L507 PolarHBondContact O-N 3.22Å; S503-L507 VanDerWaalsContact O-N 3.11Å; V504-L507 PolarHBondContact O-N 3Å; A505-L507 VanDerWaalsContact C-N 3.29Å; L507-L539 HydrophobicContact CD1-CD1 3.41Å; L507-L539 VanDerWaalsContact CD1-CD1 3.41Å; L507-L539 HydrophobicContact CD1-CG 4.32Å; L507-L539 HydrophobicContact CD2-CD1 4.15Å; L507-L539 HydrophobicContact CD2-CG 4.19Å; L507-L539 HydrophobicContact CG-CD1 3.5Å; L507-L539 VanDerWaalsContact CG-CD1 3.5Å; L507-L539 HydrophobicContact CG-CG 3.89Å; L507-Q542 HydrophobicContact CD2-CB 3.76Å; L507-V543 HydrophobicContact CD2-CG2 3.64Å; L507-I546 HydrophobicContact CD2-CD1 3.98Å |
| 508 | V | 77.8 | Confident | 64 | Low | 13 Ų | 13 | 102.3 Ų | 102.3 | 8% | 0.079 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -93.7 | -25.8 | -171.9 | 171.2 | 0 | 0 | 0 | 0 | 113.6 | V504 A505 L623 Q624 L627 | V504-V508 HydrophobicContact CG1-CG2 4.2Å; V504-V508 WeakPolarHBondContact O-CB 3.29Å; V504-V508 VanDerWaalsContact O-CG2 3.27Å; V504-V508 WeakPolarHBondContact O-CG2 3.38Å; V504-V508 PolarHBondContact O-N 3.4Å; A505-V508 PolarHBondContact O-N 3.26Å; V508-L623 HydrophobicContact CB-CD2 4.45Å; V508-L623 HydrophobicContact CG1-CG 4.4Å; V508-Q624 HydrophobicContact CG1-CB 4.39Å; V508-Q624 HydrophobicContact CG1-CG 3.66Å; V508-L627 HydrophobicContact CG2-CD1 4.27Å; V508-L627 HydrophobicContact CG2-CD2 3.97Å |
| 509 | R | 67.5 | Low | 61 | Low | 161 Ų | 161 | 103.6 Ų | 103.6 | 61% | 0.608 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -60.3 | 131.8 | -176.6 | -88.3 | 174.1 | -174.7 | 157.8 | 3.6 | 111.5 | A505 G511 | A505-R509 WeakPolarHBondContact O-CB 3.33Å; A505-R509 WeakPolarHBondContact O-CG 3.45Å; A505-R509 PolarHBondContact O-N 2.91Å; R509-G511 PolarHBondContact O-N 3.02Å |
| 510 | P | 51.5 | Low | 58.1 | Low | 100 Ų | 100 | 107.8 Ų | 107.8 | 65% | 0.649 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -62 | 123.2 | 173.1 | 23.8 | -30 | 0 | 0 | 0 | 108.8 | ||
| 511 | G | 43.6 | Very low | 55 | Low | 55 Ų | 55 | 114.9 Ų | 114.9 | 57% | 0.567 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 142.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | R509 S513 | R509-G511 PolarHBondContact O-N 3.02Å; G511-S513 PolarHBondContact O-N 3.22Å; G511-S513 PolarHBondContact O-OG 3.14Å |
| 512 | K | 30.3 | Very low | 51.9 | Low | 212 Ų | 212 | 119 Ų | 119 | 92% | 0.922 | 60% | 0.603 | S | S | * | * | trans | -65.4 | 73.5 | 173.4 | -67.7 | 178.7 | 178.2 | 175.9 | 0 | 110 | K514 | K512-K514 PolarHBondContact O-N 3.37Å; K512-K514 VanDerWaalsContact O-N 3.15Å | ||
| 513 | S | 30.1 | Very low | 48.8 | Very low | 103 Ų | 103 | 120.6 Ų | 120.6 | 72% | 0.72 | 62% | 0.617 | S | S | * | * | trans | -71.1 | 102 | 161.1 | 30.7 | 0 | 0 | 0 | 0 | 107.1 | G511 E515 | G511-S513 PolarHBondContact O-N 3.22Å; G511-S513 PolarHBondContact O-OG 3.14Å; S513-E515 PolarHBondContact O-N 3.46Å | ||
| 514 | K | 31.9 | Very low | 46.1 | Very low | 202 Ų | 202 | 123.7 Ų | 123.7 | 88% | 0.878 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -63.1 | 87.4 | 164.4 | -80.3 | -179.3 | 173.3 | 179.7 | 0 | 107.8 | K512 | K512-K514 PolarHBondContact O-N 3.37Å; K512-K514 VanDerWaalsContact O-N 3.15Å |
| 515 | E | 30.8 | Very low | 43.4 | Very low | 174 Ų | 174 | 130.9 Ų | 130.9 | 81% | 0.813 | 68% | 0.677 | S | S | * | * | trans | 166.4 | 98.1 | 155.6 | -98.4 | 166.1 | -170 | 0 | 0 | 106.8 | S513 | S513-E515 PolarHBondContact O-N 3.46Š| ||
| 516 | I | 29.1 | Very low | 41 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 84% | 0.841 | 70% | 0.696 | S | S | * | * | trans | 175.3 | 71.1 | 146.2 | -76.8 | 142.8 | 0 | 0 | 0 | 104 | ||||
| 517 | Q | 29.2 | Very low | 38.7 | Very low | 199 Ų | 199 | 131.7 Ų | 131.7 | 93% | 0.93 | 70% | 0.7 | S | S | * | * | trans | -102.2 | 62.8 | 160.5 | -93.1 | -173.3 | 0.3 | 0 | 0 | 107.6 | ||||
| 518 | R | 29.1 | Very low | 37.1 | Very low | 226 Ų | 226 | 133.6 Ų | 133.6 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | trans | -157.1 | 69.4 | 165.6 | -70.2 | -161.8 | -174.3 | 152.3 | 4.3 | 110.6 | ||||
| 519 | L | 27.7 | Very low | 36 | Very low | 153 Ų | 153 | 134.3 Ų | 134.3 | 80% | 0.801 | 72% | 0.721 | S | S | * | * | trans | -165.5 | 73.6 | 146.6 | -136.9 | 70.3 | 0 | 0 | 0 | 110.3 | ||||
| 520 | D | 28.8 | Very low | 35.3 | Very low | 151 Ų | 151 | 127.2 Ų | 127.2 | 81% | 0.807 | 70% | 0.695 | S | S | * | * | trans | -69.1 | 143.2 | 165.3 | -71.8 | -46.2 | 0 | 0 | 0 | 110 | ||||
| 521 | N | 27.8 | Very low | 35.3 | Very low | 158 Ų | 158 | 125.2 Ų | 125.2 | 85% | 0.845 | 68% | 0.684 | S | S | * | * | trans | 96.3 | 56.1 | 171.2 | -54.4 | -31.7 | 0 | 0 | 0 | 118.6 | ||||
| 522 | I | 27 | Very low | 35.5 | Very low | 135 Ų | 135 | 124 Ų | 124 | 69% | 0.692 | 66% | 0.664 | S | S | * | * | trans | -118 | 123.4 | 150.4 | -56.7 | 174.7 | 0 | 0 | 0 | 107.8 | S524 | I522-S524 PolarHBondContact O-N 3.22Š| ||
| 523 | P | 26.5 | Very low | 36.3 | Very low | 113 Ų | 113 | 122.1 Ų | 122.1 | 73% | 0.734 | 66% | 0.658 | S | S | * | * | trans | -61.5 | 129.9 | 179.5 | 10 | -8.1 | 0 | 0 | 0 | 110 | D525 | P523-D525 PolarHBondContact O-N 3.24Š| ||
| 524 | S | 32.4 | Very low | 37.4 | Very low | 119 Ų | 119 | 122.9 Ų | 122.9 | 83% | 0.832 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 13.4 | -162.5 | 52.5 | 0 | 0 | 0 | 0 | 116.8 | I522 | I522-S524 PolarHBondContact O-N 3.22Š|
| 525 | D | 34.8 | Very low | 38.6 | Very low | 152 Ų | 152 | 114.2 Ų | 114.2 | 81% | 0.813 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -1.9 | -161.6 | -137.1 | 15 | 0 | 0 | 0 | 116 | P523 | P523-D525 PolarHBondContact O-N 3.24Š|
| 526 | V | 37.3 | Very low | 40.2 | Very low | 65 Ų | 65 | 110.1 Ų | 110.1 | 39% | 0.394 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -140.4 | -17.1 | 176.6 | -162.3 | 0 | 0 | 0 | 0 | 113.5 | S528 V529 | V526-S528 PolarHBondContact O-N 3.49Å; V526-V529 HydrophobicContact CG1-CG2 4.5Å |
| 527 | G | 36.6 | Very low | 42.1 | Very low | 67 Ų | 67 | 104.4 Ų | 104.4 | 69% | 0.691 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -12.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 528 | S | 49.8 | Very low | 44.3 | Very low | 84 Ų | 84 | 99.6 Ų | 99.6 | 59% | 0.587 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 1.8 | -172.1 | -159.9 | 0 | 0 | 0 | 0 | 115.1 | V526 M530 | V526-S528 PolarHBondContact O-N 3.49Å; S528-M530 PolarHBondContact O-N 2.99Å |
| 529 | V | 54 | Low | 46.8 | Very low | 27 Ų | 27 | 90.1 Ų | 90.1 | 16% | 0.164 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -56.3 | -32.2 | -175.5 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | V526 R719 L720 | V526-V529 HydrophobicContact CG1-CG2 4.5Å; V529-R719 HydrophobicContact CG1-CB 4.32Å; V529-L720 HydrophobicContact CG1-CD2 3.75Å; V529-L720 HydrophobicContact CG1-CG 4.23Å |
| 530 | M | 52.6 | Low | 49.3 | Very low | 12 Ų | 12 | 82.9 Ų | 82.9 | 6% | 0.059 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -127.8 | -15.5 | 179.9 | -70.1 | -68.5 | -78.4 | 0 | 0 | 115.6 | S528 L532 I626 L720 T743 E746 F747 | S528-M530 PolarHBondContact O-N 2.99Å; M530-L532 HydrophobicContact CE-CD1 3.79Å; M530-L532 WeakPolarHBondContact O-CA 3.27Å; M530-L532 VanDerWaalsContact O-CB 3.25Å; M530-L532 WeakPolarHBondContact O-CB 3.45Å; M530-L532 PolarHBondContact O-N 2.75Å; M530-I626 HydrophobicContact CE-CD1 3.92Å; M530-I626 HydrophobicContact SD-CD1 4.11Å; M530-L720 HydrophobicContact CG-CD2 3.64Å; M530-L720 HydrophobicContact SD-CD2 3.99Å; M530-T743 HydrophobicContact CB-CG2 3.95Å; M530-T743 HydrophobicContact CG-CG2 3.45Å; M530-T743 VanDerWaalsContact CG-CG2 3.45Å; M530-E746 HydrophobicContact CE-CB 4.25Å; M530-F747 HydrophobicContact CE-CB 3.66Å |
| 531 | S | 51.1 | Low | 51.8 | Low | 59 Ų | 59 | 79.4 Ų | 79.4 | 41% | 0.413 | 47% | 0.469 | S | S | . | . | trans | -17.8 | 80.6 | -160.8 | 81.7 | 0 | 0 | 0 | 0 | 113.8 | H533 | S531-H533 VanDerWaalsContact C-N 3.28Å; S531-H533 PolarHBondContact O-N 3.26Å | ||
| 532 | L | 48.6 | Very low | 54.6 | Low | 28 Ų | 28 | 76.6 Ų | 76.6 | 15% | 0.147 | 45% | 0.45 | C | S | . | . | trans | -94 | 22.5 | -151.8 | -159.5 | 101.2 | 0 | 0 | 0 | 112.6 | M530 N534 E746 | M530-L532 HydrophobicContact CE-CD1 3.79Å; M530-L532 WeakPolarHBondContact O-CA 3.27Å; M530-L532 VanDerWaalsContact O-CB 3.25Å; M530-L532 WeakPolarHBondContact O-CB 3.45Å; M530-L532 PolarHBondContact O-N 2.75Å; L532-N534 PolarHBondContact O-N 3.4Å; L532-E746 HydrophobicContact CB-CB 4.31Å; L532-E746 VanDerWaalsContact CB-CD 3.47Å; L532-E746 HydrophobicContact CB-CG 4.06Å; L532-E746 WeakPolarHBondContact CB-OE2 3.27Å; L532-E746 HydrophobicContact CD1-CB 4.25Å; L532-E746 HydrophobicContact CD2-CB 3.5Å; L532-E746 VanDerWaalsContact CD2-CB 3.5Å; L532-E746 HydrophobicContact CD2-CG 3.44Å; L532-E746 VanDerWaalsContact CD2-CG 3.44Å; L532-E746 HydrophobicContact CG-CB 4.17Å; L532-E746 HydrophobicContact CG-CG 4.23Å | ||
| 533 | H | 47.3 | Very low | 57.6 | Low | 173 Ų | 173 | 70.1 Ų | 70.1 | 80% | 0.801 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -7.8 | -161.6 | -84.7 | -63.8 | 0 | 0 | 0 | 115.4 | S531 | S531-H533 VanDerWaalsContact C-N 3.28Å; S531-H533 PolarHBondContact O-N 3.26Å |
| 534 | N | 52.6 | Low | 60.7 | Low | 119 Ų | 119 | 66.8 Ų | 66.8 | 64% | 0.636 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.1 | 9.4 | -173.3 | -71.8 | -40.7 | 0 | 0 | 0 | 117 | L532 D536 | L532-N534 PolarHBondContact O-N 3.4Å; N534-D536 PolarHBondContact O-N 2.99Å |
| 535 | L | 56.8 | Low | 63.5 | Low | 20 Ų | 20 | 64.7 Ų | 64.7 | 11% | 0.105 | 38% | 0.377 | C | S | . | . | trans | -87.2 | 87.6 | 178.6 | -109.7 | 79.1 | 0 | 0 | 0 | 111.1 | L539 L540 I626 | L535-L539 HydrophobicContact CD1-CD2 3.36Å; L535-L539 HydrophobicContact CG-CB 4.45Å; L535-L539 HydrophobicContact CG-CD2 3.62Å; L535-L540 HydrophobicContact CD2-CD1 4.22Å; L535-L540 HydrophobicContact CD2-CD2 3.48Å; L535-L540 VanDerWaalsContact CD2-CD2 3.48Å; L535-L540 HydrophobicContact CD2-CG 3.72Å; L535-L540 HydrophobicContact CG-CG 4.39Å; L535-I626 HydrophobicContact CD2-CG2 3.71Å | ||
| 536 | D | 65.2 | Low | 66.3 | Low | 89 Ų | 89 | 59.3 Ų | 59.3 | 48% | 0.476 | 35% | 0.348 | S | S | . | . | trans | -71.5 | 153.3 | 162.5 | -174.8 | 10.9 | 0 | 0 | 0 | 109.7 | N534 N538 L539 L540 | N534-D536 PolarHBondContact O-N 2.99Å; D536-N538 PolarHBondContact O-N 3.13Å; D536-N538 VanDerWaalsContact O-N 3.09Å; D536-N538 PolarHBondContact OD2-ND2 3.31Å; D536-L539 WeakPolarHBondContact O-CA 3.27Å; D536-L539 VanDerWaalsContact O-CB 3.27Å; D536-L539 WeakPolarHBondContact O-CB 2.93Å; D536-L539 PolarHBondContact O-N 3.16Å; D536-L540 PolarHBondContact O-N 3.4Å | ||
| 537 | S | 68.2 | Low | 69.1 | Low | 44 Ų | 44 | 56.2 Ų | 56.2 | 31% | 0.308 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -42.3 | -38.4 | 168.7 | 57.4 | 0 | 0 | 0 | 0 | 113.4 | L539 L540 T541 | S537-L539 VanDerWaalsContact C-N 3.34Å; S537-L539 PolarHBondContact O-N 2.98Å; S537-L540 PolarHBondContact O-N 3.43Å; S537-T541 PolarHBondContact O-N 3.44Å; S537-T541 VanDerWaalsContact O-N 3.14Å; S537-T541 PolarHBondContact O-OG1 3.37Å |
| 538 | N | 76.2 | Confident | 71.8 | Confident | 98 Ų | 98 | 55.5 Ų | 55.5 | 52% | 0.524 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.5 | -34.9 | 175.2 | -70.3 | -46.2 | 0 | 0 | 0 | 113.4 | D536 Q542 | D536-N538 PolarHBondContact O-N 3.13Å; D536-N538 VanDerWaalsContact O-N 3.09Å; D536-N538 PolarHBondContact OD2-ND2 3.31Å; N538-Q542 WeakPolarHBondContact O-CG 2.83Å; N538-Q542 PolarHBondContact O-N 3.33Å; N538-Q542 VanDerWaalsContact O-N 3.12Å; N538-Q542 PolarHBondContact O-NE2 3.44Å |
| 539 | L | 80.7 | Confident | 73.9 | Confident | 27 Ų | 27 | 54 Ų | 54 | 14% | 0.141 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.7 | -43.1 | 179.5 | -157.6 | 80.4 | 0 | 0 | 0 | 111.1 | L507 L535 D536 S537 T541 Q542 V543 | L507-L539 HydrophobicContact CD1-CD1 3.41Å; L507-L539 VanDerWaalsContact CD1-CD1 3.41Å; L507-L539 HydrophobicContact CD1-CG 4.32Å; L507-L539 HydrophobicContact CD2-CD1 4.15Å; L507-L539 HydrophobicContact CD2-CG 4.19Å; L507-L539 HydrophobicContact CG-CD1 3.5Å; L507-L539 VanDerWaalsContact CG-CD1 3.5Å; L507-L539 HydrophobicContact CG-CG 3.89Å; L535-L539 HydrophobicContact CD1-CD2 3.36Å; L535-L539 HydrophobicContact CG-CB 4.45Å; L535-L539 HydrophobicContact CG-CD2 3.62Å; D536-L539 WeakPolarHBondContact O-CA 3.27Å; D536-L539 VanDerWaalsContact O-CB 3.27Å; D536-L539 WeakPolarHBondContact O-CB 2.93Å; D536-L539 PolarHBondContact O-N 3.16Å; S537-L539 VanDerWaalsContact C-N 3.34Å; S537-L539 PolarHBondContact O-N 2.98Å; L539-T541 VanDerWaalsContact C-N 3.3Å; L539-T541 PolarHBondContact O-N 3.46Å; L539-Q542 WeakPolarHBondContact O-CB 2.98Å; L539-Q542 PolarHBondContact O-N 2.93Å; L539-Q542 VanDerWaalsContact O-N 3.16Å; L539-V543 WeakPolarHBondContact O-CG2 3.21Å; L539-V543 PolarHBondContact O-N 2.92Å |
| 540 | L | 81.4 | Confident | 75.9 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 176.5 | -75.9 | 166.2 | 0 | 0 | 0 | 111.4 | L535 D536 S537 Q542 V543 E544 P630 C750 V754 | L535-L540 HydrophobicContact CD2-CD1 4.22Å; L535-L540 HydrophobicContact CD2-CD2 3.48Å; L535-L540 VanDerWaalsContact CD2-CD2 3.48Å; L535-L540 HydrophobicContact CD2-CG 3.72Å; L535-L540 HydrophobicContact CG-CG 4.39Å; D536-L540 PolarHBondContact O-N 3.4Å; S537-L540 PolarHBondContact O-N 3.43Å; L540-Q542 VanDerWaalsContact C-N 3.32Å; L540-Q542 PolarHBondContact O-N 2.82Å; L540-V543 WeakPolarHBondContact O-CB 3.38Å; L540-V543 PolarHBondContact O-N 3.49Å; L540-E544 WeakPolarHBondContact O-CG 3.28Å; L540-E544 PolarHBondContact O-N 3.44Å; L540-P630 HydrophobicContact CD2-CG 3.96Å; L540-C750 HydrophobicContact CD1-CB 3.84Å; L540-V754 HydrophobicContact CB-CG2 4.05Å; L540-V754 HydrophobicContact CD1-CG2 3.8Å; L540-V754 HydrophobicContact CD2-CG2 4.21Å; L540-V754 HydrophobicContact CG-CG2 4.24Å |
| 541 | T | 82.2 | Confident | 78 | Confident | 78 Ų | 78 | 52.3 Ų | 52.3 | 48% | 0.479 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.7 | -38.6 | 174.4 | -50.9 | 0 | 0 | 0 | 0 | 111.8 | S537 L539 E544 S545 | S537-T541 PolarHBondContact O-N 3.44Å; S537-T541 VanDerWaalsContact O-N 3.14Å; S537-T541 PolarHBondContact O-OG1 3.37Å; L539-T541 VanDerWaalsContact C-N 3.3Å; L539-T541 PolarHBondContact O-N 3.46Å; T541-E544 PolarHBondContact O-N 3.12Å; T541-S545 PolarHBondContact O-N 3.49Å; T541-S545 VanDerWaalsContact O-N 3.09Å |
| 542 | Q | 86.5 | Confident | 80 | Confident | 98 Ų | 98 | 54.3 Ų | 54.3 | 46% | 0.458 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 173.8 | -74 | 171.6 | 54.6 | 0 | 0 | 112.1 | L507 N538 L539 L540 S545 I546 | L507-Q542 HydrophobicContact CD2-CB 3.76Å; N538-Q542 WeakPolarHBondContact O-CG 2.83Å; N538-Q542 PolarHBondContact O-N 3.33Å; N538-Q542 VanDerWaalsContact O-N 3.12Å; N538-Q542 PolarHBondContact O-NE2 3.44Å; L539-Q542 WeakPolarHBondContact O-CB 2.98Å; L539-Q542 PolarHBondContact O-N 2.93Å; L539-Q542 VanDerWaalsContact O-N 3.16Å; L540-Q542 VanDerWaalsContact C-N 3.32Å; L540-Q542 PolarHBondContact O-N 2.82Å; Q542-S545 PolarHBondContact O-N 2.93Å; Q542-I546 WeakPolarHBondContact O-CG1 3.35Å; Q542-I546 PolarHBondContact O-N 3.2Å; Q542-I546 VanDerWaalsContact O-N 3.07Å |
| 543 | V | 90 | Very high | 82.1 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 174.1 | 171 | 0 | 0 | 0 | 0 | 111.1 | L507 L539 L540 S545 I546 F547 L627 P630 | L507-V543 HydrophobicContact CD2-CG2 3.64Å; L539-V543 WeakPolarHBondContact O-CG2 3.21Å; L539-V543 PolarHBondContact O-N 2.92Å; L540-V543 WeakPolarHBondContact O-CB 3.38Å; L540-V543 PolarHBondContact O-N 3.49Å; V543-S545 VanDerWaalsContact C-N 3.34Å; V543-S545 PolarHBondContact O-N 3.02Å; V543-I546 WeakPolarHBondContact O-CB 2.74Å; V543-I546 PolarHBondContact O-N 3.07Å; V543-F547 HydrophobicContact CG1-CD2 3.8Å; V543-F547 HydrophobicContact CG1-CE2 3.26Å; V543-F547 HydrophobicContact CG1-CZ 3.76Å; V543-F547 WeakPolarHBondContact O-CD2 3.47Å; V543-F547 PolarHBondContact O-N 2.7Å; V543-L627 HydrophobicContact CG1-CD2 4.02Å; V543-L627 HydrophobicContact CG2-CD2 4.06Å; V543-P630 HydrophobicContact CG1-CB 4.32Å; V543-P630 HydrophobicContact CG1-CG 3.9Å |
| 544 | E | 90.1 | Very high | 84.4 | Confident | 42 Ų | 42 | 50.3 Ų | 50.3 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.4 | -45 | 174.7 | -72.5 | 177.9 | -175.9 | 0 | 0 | 111.6 | L540 T541 I546 F547 D548 P630 | L540-E544 WeakPolarHBondContact O-CG 3.28Å; L540-E544 PolarHBondContact O-N 3.44Å; T541-E544 PolarHBondContact O-N 3.12Å; E544-I546 VanDerWaalsContact C-N 3.29Å; E544-I546 PolarHBondContact O-N 3.47Å; E544-F547 PolarHBondContact O-N 3.22Å; E544-F547 VanDerWaalsContact O-N 3.16Å; E544-D548 WeakPolarHBondContact O-CB 3.24Å; E544-D548 VanDerWaalsContact O-CG 3.29Å; E544-D548 PolarHBondContact O-N 2.99Å; E544-P630 HydrophobicContact CG-CB 3.38Å |
| 545 | S | 91 | Very high | 86.3 | Confident | 76 Ų | 76 | 45 Ų | 45 | 53% | 0.531 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.3 | -35.9 | 176.5 | 177.3 | 0 | 0 | 0 | 0 | 113 | T541 Q542 V543 S549 | T541-S545 PolarHBondContact O-N 3.49Å; T541-S545 VanDerWaalsContact O-N 3.09Å; Q542-S545 PolarHBondContact O-N 2.93Å; V543-S545 VanDerWaalsContact C-N 3.34Å; V543-S545 PolarHBondContact O-N 3.02Å; S545-S549 PolarHBondContact O-N 3.18Å |
| 546 | I | 93.9 | Very high | 88 | Confident | 39 Ų | 39 | 46.9 Ų | 46.9 | 20% | 0.2 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 174.9 | -68.8 | 164.2 | 0 | 0 | 0 | 110.4 | T500 V504 L507 Q542 V543 E544 S549 C550 | T500-I546 HydrophobicContact CG2-CG2 3.84Å; V504-I546 HydrophobicContact CG2-CG2 3.91Å; L507-I546 HydrophobicContact CD2-CD1 3.98Å; Q542-I546 WeakPolarHBondContact O-CG1 3.35Å; Q542-I546 PolarHBondContact O-N 3.2Å; Q542-I546 VanDerWaalsContact O-N 3.07Å; V543-I546 WeakPolarHBondContact O-CB 2.74Å; V543-I546 PolarHBondContact O-N 3.07Å; E544-I546 VanDerWaalsContact C-N 3.29Å; E544-I546 PolarHBondContact O-N 3.47Å; I546-S549 PolarHBondContact O-N 3.32Å; I546-C550 WeakPolarHBondContact O-CB 3.37Å; I546-C550 PolarHBondContact O-N 3.2Å |
| 547 | F | 95.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.2 | -41.7 | 176.5 | -65.4 | -38.3 | 0 | 0 | 0 | 112 | T500 V504 V543 E544 S549 C550 F551 P630 L631 T634 | T500-F547 HydrophobicContact CG2-CD1 4.09Å; T500-F547 HydrophobicContact CG2-CE1 4.31Å; V504-F547 HydrophobicContact CG2-CE1 3.97Å; V504-F547 HydrophobicContact CG2-CZ 4.29Å; V543-F547 HydrophobicContact CG1-CD2 3.8Å; V543-F547 HydrophobicContact CG1-CE2 3.26Å; V543-F547 HydrophobicContact CG1-CZ 3.76Å; V543-F547 WeakPolarHBondContact O-CD2 3.47Å; V543-F547 PolarHBondContact O-N 2.7Å; E544-F547 PolarHBondContact O-N 3.22Å; E544-F547 VanDerWaalsContact O-N 3.16Å; F547-S549 VanDerWaalsContact C-N 3.32Å; F547-S549 PolarHBondContact O-N 3.45Å; F547-C550 VanDerWaalsContact O-CB 3.31Å; F547-C550 WeakPolarHBondContact O-CB 3.12Å; F547-C550 PolarHBondContact O-N 3.23Å; F547-C550 VanDerWaalsContact O-N 3.1Å; F547-F551 VanDerWaalsContact O-CD2 3.29Å; F547-F551 WeakPolarHBondContact O-CD2 3.49Å; F547-F551 PolarHBondContact O-N 3.33Å; F547-P630 HydrophobicContact CE2-CB 4.45Å; F547-P630 HydrophobicContact CE2-CG 4.27Å; F547-L631 HydrophobicContact CD1-CD1 3.92Å; F547-L631 HydrophobicContact CD2-CB 4.09Å; F547-L631 HydrophobicContact CD2-CD1 3.97Å; F547-L631 HydrophobicContact CE1-CD1 4.05Å; F547-L631 HydrophobicContact CE2-CB 3.7Å; F547-L631 HydrophobicContact CE2-CD1 4.07Å; F547-L631 HydrophobicContact CE2-CG 4.42Å; F547-L631 HydrophobicContact CG-CD1 3.9Å; F547-L631 HydrophobicContact CZ-CB 4.17Å; F547-L631 HydrophobicContact CZ-CD1 4.12Å; F547-T634 HydrophobicContact CB-CG2 3.81Å |
| 548 | D | 94.7 | Very high | 90.4 | Very high | 52 Ų | 52 | 41.8 Ų | 41.8 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.4 | -46.7 | 175.8 | -74.5 | -7.6 | 0 | 0 | 0 | 111.1 | E544 C550 F551 D552 T634 R637 | E544-D548 WeakPolarHBondContact O-CB 3.24Å; E544-D548 VanDerWaalsContact O-CG 3.29Å; E544-D548 PolarHBondContact O-N 2.99Å; D548-C550 VanDerWaalsContact C-N 3.31Å; D548-C550 PolarHBondContact O-N 3.47Å; D548-F551 PolarHBondContact O-N 3.16Å; D548-D552 WeakPolarHBondContact O-CB 3.42Å; D548-D552 PolarHBondContact O-N 3.44Å; D548-T634 WeakPolarHBondContact OD1-CG2 3.42Å; D548-T634 PolarHBondContact OD1-OG1 3.04Å; D548-R637 IonicContact OD1-CZ 3.93Å; D548-R637 IonicContact OD1-NH2 2.67Å; D548-R637 PolarHBondContact OD1-NH2 2.93Å; D548-R637 IonicContact OD2-NH2 3.82Å; D548-R637 PolarHBondContact OD2-NH2 3.47Å |
| 549 | S | 93.8 | Very high | 91.2 | Very high | 53 Ų | 53 | 41.8 Ų | 41.8 | 37% | 0.371 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.5 | -34.8 | 176.3 | -171.3 | 0 | 0 | 0 | 0 | 112.9 | S545 I546 F547 K553 | S545-S549 PolarHBondContact O-N 3.18Å; I546-S549 PolarHBondContact O-N 3.32Å; F547-S549 VanDerWaalsContact C-N 3.32Å; F547-S549 PolarHBondContact O-N 3.45Å; S549-K553 VanDerWaalsContact O-CG 3.28Å; S549-K553 WeakPolarHBondContact O-CG 3.35Å; S549-K553 PolarHBondContact O-N 3.39Å |
| 550 | C | 95.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.8 | -54.1 | 176.2 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | T500 I546 F547 D548 K553 I554 | T500-C550 HydrophobicContact CG2-CB 3.87Å; T500-C550 WeakPolarHBondContact OG1-CB 3.41Å; T500-C550 PolarHBondContact OG1-SG 3.28Å; I546-C550 WeakPolarHBondContact O-CB 3.37Å; I546-C550 PolarHBondContact O-N 3.2Å; F547-C550 VanDerWaalsContact O-CB 3.31Å; F547-C550 WeakPolarHBondContact O-CB 3.12Å; F547-C550 PolarHBondContact O-N 3.23Å; F547-C550 VanDerWaalsContact O-N 3.1Å; D548-C550 VanDerWaalsContact C-N 3.31Å; D548-C550 PolarHBondContact O-N 3.47Å; C550-K553 PolarHBondContact O-N 3.01Å; C550-I554 WeakPolarHBondContact O-CG1 3.23Å; C550-I554 PolarHBondContact O-N 2.9Å; C550-I554 VanDerWaalsContact O-N 3.12Å |
| 551 | F | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.8 | -36.4 | -177.7 | -79.2 | -77.3 | 0 | 0 | 0 | 112.4 | F547 D548 K553 I554 I555 I613 L631 T634 I635 I638 L705 | F547-F551 VanDerWaalsContact O-CD2 3.29Å; F547-F551 WeakPolarHBondContact O-CD2 3.49Å; F547-F551 PolarHBondContact O-N 3.33Å; D548-F551 PolarHBondContact O-N 3.16Å; F551-K553 VanDerWaalsContact C-N 3.33Å; F551-K553 PolarHBondContact O-N 3.33Å; F551-I554 PolarHBondContact O-N 2.97Å; F551-I555 HydrophobicContact CB-CD1 4.3Å; F551-I555 VanDerWaalsContact O-CB 3.29Å; F551-I555 WeakPolarHBondContact O-CB 3.34Å; F551-I555 VanDerWaalsContact O-CG1 3.22Å; F551-I555 WeakPolarHBondContact O-CG1 3.39Å; F551-I555 PolarHBondContact O-N 3.49Å; F551-I613 HydrophobicContact CE1-CD1 3.91Å; F551-I613 HydrophobicContact CE1-CG2 4.4Å; F551-I613 HydrophobicContact CZ-CG2 4.16Å; F551-L631 HydrophobicContact CE2-CD1 3.9Å; F551-L631 HydrophobicContact CZ-CD1 4.43Å; F551-T634 HydrophobicContact CD2-CG2 3.9Å; F551-T634 HydrophobicContact CE2-CG2 4.46Å; F551-I635 HydrophobicContact CD2-CG1 4.35Å; F551-I635 HydrophobicContact CE1-CD1 4.38Å; F551-I635 HydrophobicContact CE1-CG1 4.01Å; F551-I635 HydrophobicContact CE2-CD1 3.99Å; F551-I635 HydrophobicContact CE2-CG1 3.56Å; F551-I635 HydrophobicContact CZ-CD1 3.54Å; F551-I635 HydrophobicContact CZ-CG1 3.37Å; F551-I638 HydrophobicContact CB-CD1 3.41Å; F551-I638 VanDerWaalsContact CB-CD1 3.41Å; F551-I638 HydrophobicContact CD2-CD1 4.32Å; F551-I638 HydrophobicContact CG-CD1 3.95Å; F551-L705 HydrophobicContact CE1-CD1 4.02Å |
| 552 | D | 93.8 | Very high | 92.6 | Very high | 101 Ų | 101 | 41.7 Ų | 41.7 | 54% | 0.54 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.3 | -45 | 175.2 | -177.5 | 58.2 | 0 | 0 | 0 | 111.8 | D548 T556 | D548-D552 WeakPolarHBondContact O-CB 3.42Å; D548-D552 PolarHBondContact O-N 3.44Å; D552-T556 WeakPolarHBondContact O-CB 3.22Å; D552-T556 PolarHBondContact O-N 3.16Å; D552-T556 PolarHBondContact O-OG1 3.39Å |
| 553 | K | 92.4 | Very high | 92.8 | Very high | 116 Ų | 116 | 39.7 Ų | 39.7 | 50% | 0.504 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.6 | -47.2 | 176 | -71.7 | 172.8 | -170.7 | 174.8 | 0 | 112.3 | V496 S549 C550 F551 L557 | V496-K553 HydrophobicContact CG1-CB 4.19Å; V496-K553 HydrophobicContact CG1-CD 4.28Å; V496-K553 HydrophobicContact CG2-CB 4.43Å; V496-K553 HydrophobicContact CG2-CD 4.45Å; S549-K553 VanDerWaalsContact O-CG 3.28Å; S549-K553 WeakPolarHBondContact O-CG 3.35Å; S549-K553 PolarHBondContact O-N 3.39Å; C550-K553 PolarHBondContact O-N 3.01Å; F551-K553 VanDerWaalsContact C-N 3.33Å; F551-K553 PolarHBondContact O-N 3.33Å; K553-L557 WeakPolarHBondContact O-CB 3.45Å; K553-L557 PolarHBondContact O-N 3.3Å |
| 554 | I | 94.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65 | -46.9 | -178.8 | -67.9 | 172.3 | 0 | 0 | 0 | 110.6 | I493 V496 L497 C550 F551 L557 I558 V609 I613 | I493-I554 HydrophobicContact CG2-CD1 4.48Å; V496-I554 HydrophobicContact CG1-CD1 4.36Å; V496-I554 HydrophobicContact CG1-CG1 4.09Å; L497-I554 HydrophobicContact CD2-CD1 3.89Å; L497-I554 HydrophobicContact CG-CD1 4.25Å; C550-I554 WeakPolarHBondContact O-CG1 3.23Å; C550-I554 PolarHBondContact O-N 2.9Å; C550-I554 VanDerWaalsContact O-N 3.12Å; F551-I554 PolarHBondContact O-N 2.97Å; I554-L557 WeakPolarHBondContact O-CB 3.37Å; I554-L557 PolarHBondContact O-N 3.07Å; I554-I558 HydrophobicContact CG2-CD1 3.76Å; I554-I558 VanDerWaalsContact O-CG1 3.3Å; I554-I558 WeakPolarHBondContact O-CG1 3.43Å; I554-I558 PolarHBondContact O-N 2.98Å; I554-V609 HydrophobicContact CG2-CG2 4.23Å; I554-I613 HydrophobicContact CD1-CD1 4.29Å |
| 555 | I | 94.4 | Very high | 93 | Very high | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.6 | -40.2 | -178.6 | -67.4 | 167.1 | 0 | 0 | 0 | 110.7 | F551 L557 I558 R559 I638 I698 L702 | F551-I555 HydrophobicContact CB-CD1 4.3Å; F551-I555 VanDerWaalsContact O-CB 3.29Å; F551-I555 WeakPolarHBondContact O-CB 3.34Å; F551-I555 VanDerWaalsContact O-CG1 3.22Å; F551-I555 WeakPolarHBondContact O-CG1 3.39Å; F551-I555 PolarHBondContact O-N 3.49Å; I555-L557 VanDerWaalsContact C-N 3.33Å; I555-L557 PolarHBondContact O-N 3.15Å; I555-I558 PolarHBondContact O-N 2.76Å; I555-R559 WeakPolarHBondContact O-CB 3.23Å; I555-R559 PolarHBondContact O-N 2.98Å; I555-I638 HydrophobicContact CD1-CG2 3.32Å; I555-I698 HydrophobicContact CG2-CG2 4.21Å; I555-L702 HydrophobicContact CD1-CD1 4.15Å; I555-L702 HydrophobicContact CD1-CD2 4.03Å |
| 556 | T | 91.3 | Very high | 93 | Very high | 60 Ų | 60 | 37.1 Ų | 37.1 | 37% | 0.368 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.4 | -43.2 | 175.1 | -63.6 | 0 | 0 | 0 | 0 | 111.3 | D552 R559 T560 | D552-T556 WeakPolarHBondContact O-CB 3.22Å; D552-T556 PolarHBondContact O-N 3.16Å; D552-T556 PolarHBondContact O-OG1 3.39Å; T556-R559 PolarHBondContact O-N 3.39Å; T556-T560 HydrophobicContact CG2-CG2 4.27Å; T556-T560 WeakPolarHBondContact O-CB 3.48Å; T556-T560 VanDerWaalsContact O-CG2 3.24Å; T556-T560 WeakPolarHBondContact O-CG2 3.45Å; T556-T560 PolarHBondContact O-N 3.07Å; T556-T560 PolarHBondContact O-OG1 3.48Å |
| 557 | L | 91 | Very high | 92.9 | Very high | 26 Ų | 26 | 40.1 Ų | 40.1 | 14% | 0.136 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60 | -47.5 | 175.2 | -176.3 | 66.6 | 0 | 0 | 0 | 111.7 | F489 Q492 I493 K553 I554 I555 T560 E561 | F489-L557 HydrophobicContact CD1-CD1 3.89Å; F489-L557 HydrophobicContact CD1-CD2 4.03Å; F489-L557 HydrophobicContact CD1-CG 3.96Å; F489-L557 HydrophobicContact CE1-CD1 3.77Å; F489-L557 HydrophobicContact CE1-CG 4.21Å; Q492-L557 HydrophobicContact CB-CD2 4.14Å; I493-L557 HydrophobicContact CG1-CD2 4Å; K553-L557 WeakPolarHBondContact O-CB 3.45Å; K553-L557 PolarHBondContact O-N 3.3Å; I554-L557 WeakPolarHBondContact O-CB 3.37Å; I554-L557 PolarHBondContact O-N 3.07Å; I555-L557 VanDerWaalsContact C-N 3.33Å; I555-L557 PolarHBondContact O-N 3.15Å; L557-T560 PolarHBondContact O-OG1 2.92Å; L557-E561 WeakPolarHBondContact O-CB 3.44Å; L557-E561 PolarHBondContact O-N 3.26Å |
| 558 | I | 93.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.6 | -43.3 | 178.6 | -66.3 | 168.5 | 0 | 0 | 0 | 110.9 | I554 I555 E561 Q562 M602 F606 V609 Y697 I698 F701 | I554-I558 HydrophobicContact CG2-CD1 3.76Å; I554-I558 VanDerWaalsContact O-CG1 3.3Å; I554-I558 WeakPolarHBondContact O-CG1 3.43Å; I554-I558 PolarHBondContact O-N 2.98Å; I555-I558 PolarHBondContact O-N 2.76Å; I558-E561 PolarHBondContact O-N 3.37Å; I558-Q562 WeakPolarHBondContact O-CB 3.14Å; I558-Q562 PolarHBondContact O-N 3.14Å; I558-M602 HydrophobicContact CG2-CE 3.49Å; I558-M602 VanDerWaalsContact CG2-CE 3.49Å; I558-F606 HydrophobicContact CB-CE2 4.44Å; I558-F606 HydrophobicContact CB-CZ 4.32Å; I558-F606 HydrophobicContact CG1-CD1 4Å; I558-F606 HydrophobicContact CG1-CD2 4.43Å; I558-F606 HydrophobicContact CG1-CE1 3.79Å; I558-F606 HydrophobicContact CG1-CE2 4.25Å; I558-F606 HydrophobicContact CG1-CG 4.32Å; I558-F606 HydrophobicContact CG1-CZ 3.93Å; I558-F606 HydrophobicContact CG2-CD2 4.42Å; I558-F606 HydrophobicContact CG2-CE2 4.22Å; I558-V609 HydrophobicContact CD1-CG2 4.49Å; I558-Y697 HydrophobicContact CD1-CE1 4.47Å; I558-Y697 HydrophobicContact CG2-CD1 3.7Å; I558-Y697 HydrophobicContact CG2-CE1 3.65Å; I558-I698 HydrophobicContact CG2-CD1 4.13Å; I558-I698 HydrophobicContact CG2-CG1 3.69Å; I558-F701 HydrophobicContact CD1-CD1 4.43Å; I558-F701 HydrophobicContact CD1-CE1 4.01Å |
| 559 | R | 92 | Very high | 92.6 | Very high | 98 Ų | 98 | 37.7 Ų | 37.7 | 37% | 0.37 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.6 | -44.3 | -177.8 | -178.3 | 178.6 | -68 | 132.9 | 1.3 | 112.5 | I555 T556 E561 Q562 A563 E642 I698 | I555-R559 WeakPolarHBondContact O-CB 3.23Å; I555-R559 PolarHBondContact O-N 2.98Å; T556-R559 PolarHBondContact O-N 3.39Å; R559-E561 PolarHBondContact O-N 3.1Å; R559-Q562 PolarHBondContact O-N 3.07Å; R559-A563 PolarHBondContact O-N 3.24Å; R559-E642 IonicContact CZ-OE1 3.6Å; R559-E642 IonicContact NH2-OE1 3.59Å; R559-E642 PolarHBondContact NH2-OE1 3.41Å; R559-E642 IonicContact NH2-OE2 3.88Å; R559-E642 PolarHBondContact NH2-OE2 3.45Å; R559-I698 HydrophobicContact CB-CD1 3.86Å; R559-I698 HydrophobicContact CG-CD1 4.44Å |
| 560 | T | 90.2 | Very high | 92.2 | Very high | 61 Ų | 61 | 35.2 Ų | 35.2 | 37% | 0.374 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.3 | -39.7 | 177.3 | 51.3 | 0 | 0 | 0 | 0 | 110.8 | T556 L557 A563 F564 | T556-T560 HydrophobicContact CG2-CG2 4.27Å; T556-T560 WeakPolarHBondContact O-CB 3.48Å; T556-T560 VanDerWaalsContact O-CG2 3.24Å; T556-T560 WeakPolarHBondContact O-CG2 3.45Å; T556-T560 PolarHBondContact O-N 3.07Å; T556-T560 PolarHBondContact O-OG1 3.48Å; L557-T560 PolarHBondContact O-OG1 2.92Å; T560-A563 PolarHBondContact O-N 2.71Å; T560-F564 PolarHBondContact O-N 3.39Å; T560-F564 VanDerWaalsContact O-N 3.09Å |
| 561 | E | 92.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -73.1 | -40 | 178.6 | -163.7 | 49.6 | -134 | 0 | 0 | 113 | Y448 R452 Y481 F489 L557 I558 R559 A563 F564 L565 L605 F606 | Y448-E561 WeakPolarHBondContact CE1-OE2 3.37Å; R452-E561 IonicContact CZ-OE2 3.66Å; R452-E561 VanDerWaalsContact CZ-OE2 3.32Å; R452-E561 IonicContact NE-OE2 2.74Å; R452-E561 PolarHBondContact NE-OE2 2.92Å; R452-E561 IonicContact NH2-OE2 3.2Å; R452-E561 PolarHBondContact NH2-OE2 2.81Å; Y481-E561 WeakPolarHBondContact CE1-OE1 3.22Å; Y481-E561 PolarHBondContact OH-OE1 3.37Å; F489-E561 HydrophobicContact CE1-CG 4.37Å; F489-E561 HydrophobicContact CE2-CG 3.74Å; F489-E561 HydrophobicContact CZ-CB 4.24Å; F489-E561 VanDerWaalsContact CZ-CD 3.48Å; F489-E561 HydrophobicContact CZ-CG 3.56Å; F489-E561 VanDerWaalsContact CZ-OE2 3.3Å; F489-E561 WeakPolarHBondContact CZ-OE2 3.25Å; L557-E561 WeakPolarHBondContact O-CB 3.44Å; L557-E561 PolarHBondContact O-N 3.26Å; I558-E561 PolarHBondContact O-N 3.37Å; R559-E561 PolarHBondContact O-N 3.1Å; E561-A563 VanDerWaalsContact C-N 3.29Å; E561-A563 PolarHBondContact O-N 3.07Å; E561-F564 PolarHBondContact O-N 2.71Å; E561-F564 VanDerWaalsContact OE1-CD1 3.3Å; E561-F564 WeakPolarHBondContact OE1-CD1 3.47Å; E561-L565 WeakPolarHBondContact O-CG 3.26Å; E561-L565 PolarHBondContact O-N 3.12Å; E561-L605 HydrophobicContact CG-CD2 3.49Å; E561-L605 VanDerWaalsContact CG-CD2 3.49Å; E561-F606 HydrophobicContact CB-CE2 4.27Å; E561-F606 HydrophobicContact CB-CZ 4.02Å; E561-F606 HydrophobicContact CG-CE2 4.26Å; E561-F606 HydrophobicContact CG-CZ 4.13Å |
| 562 | Q | 91.2 | Very high | 90.2 | Very high | 42 Ų | 42 | 40.4 Ų | 40.4 | 20% | 0.196 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57 | -43.5 | 172.3 | -168 | -178.2 | -69.9 | 0 | 0 | 111.7 | I558 R559 N566 L598 M602 | I558-Q562 WeakPolarHBondContact O-CB 3.14Å; I558-Q562 PolarHBondContact O-N 3.14Å; R559-Q562 PolarHBondContact O-N 3.07Å; Q562-N566 VanDerWaalsContact O-CB 3.29Å; Q562-N566 WeakPolarHBondContact O-CB 3.4Å; Q562-N566 PolarHBondContact O-N 2.92Å; Q562-L598 HydrophobicContact CG-CD2 4Å; Q562-L598 HydrophobicContact CG-CG 4.41Å; Q562-M602 HydrophobicContact CB-CE 3.63Å; Q562-M602 HydrophobicContact CB-SD 3.85Å; Q562-M602 HydrophobicContact CG-CE 4.1Å; Q562-M602 HydrophobicContact CG-CG 4.25Å; Q562-M602 HydrophobicContact CG-SD 4.08Å |
| 563 | A | 90.1 | Very high | 88.5 | Confident | 56 Ų | 56 | 39.6 Ų | 39.6 | 46% | 0.463 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.5 | -43.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R559 T560 E561 N566 Q567 | R559-A563 PolarHBondContact O-N 3.24Å; T560-A563 PolarHBondContact O-N 2.71Å; E561-A563 VanDerWaalsContact C-N 3.29Å; E561-A563 PolarHBondContact O-N 3.07Å; A563-N566 PolarHBondContact O-N 3.15Å; A563-Q567 PolarHBondContact O-N 2.97Å |
| 564 | F | 93 | Very high | 86.4 | Confident | 6 Ų | 6 | 35.9 Ų | 35.9 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.5 | -51.5 | 176 | 169.4 | -99.7 | 0 | 0 | 0 | 111.8 | R452 L455 L456 Y481 T560 E561 N566 Q567 F568 | R452-F564 HydrophobicContact CB-CD2 3.69Å; R452-F564 HydrophobicContact CB-CE2 3.79Å; R452-F564 HydrophobicContact CG-CD1 4.42Å; R452-F564 HydrophobicContact CG-CD2 3.55Å; R452-F564 HydrophobicContact CG-CE2 3.79Å; R452-F564 HydrophobicContact CG-CG 3.88Å; R452-F564 HydrophobicContact CG-CZ 4.35Å; L455-F564 HydrophobicContact CB-CE2 4.29Å; L455-F564 HydrophobicContact CB-CZ 4.12Å; L455-F564 HydrophobicContact CD1-CZ 4.04Å; L456-F564 HydrophobicContact CD1-CD2 4.39Å; L456-F564 HydrophobicContact CD2-CD2 4.13Å; L456-F564 HydrophobicContact CD2-CE2 4.17Å; L456-F564 HydrophobicContact CG-CD2 4.06Å; L456-F564 HydrophobicContact CG-CE2 3.97Å; Y481-F564 HydrophobicContact CE1-CE1 4.15Å; Y481-F564 AromaticContact CE2-CE1 3.79Å; Y481-F564 HydrophobicContact CE2-CE1 3.79Å; Y481-F564 HydrophobicContact CE2-CZ 4.38Å; Y481-F564 AromaticContact CZ-CE1 3.48Å; Y481-F564 VanDerWaalsContact CZ-CE1 3.48Å; Y481-F564 VanDerWaalsContact OH-CE1 3.28Å; Y481-F564 WeakPolarHBondContact OH-CE1 3.3Å; T560-F564 PolarHBondContact O-N 3.39Å; T560-F564 VanDerWaalsContact O-N 3.09Å; E561-F564 PolarHBondContact O-N 2.71Å; E561-F564 VanDerWaalsContact OE1-CD1 3.3Å; E561-F564 WeakPolarHBondContact OE1-CD1 3.47Å; F564-N566 VanDerWaalsContact C-N 3.3Å; F564-N566 PolarHBondContact O-N 3.42Å; F564-Q567 PolarHBondContact O-N 2.86Å; F564-Q567 VanDerWaalsContact O-N 3.14Å; F564-F568 HydrophobicContact CD2-CB 4.44Å; F564-F568 HydrophobicContact CE1-CB 4.26Å; F564-F568 HydrophobicContact CE1-CD1 4.31Å; F564-F568 HydrophobicContact CE1-CG 4.46Å; F564-F568 HydrophobicContact CE2-CB 3.97Å; F564-F568 HydrophobicContact CE2-CG 4.3Å; F564-F568 HydrophobicContact CZ-CB 3.87Å; F564-F568 HydrophobicContact CZ-CD1 4.03Å; F564-F568 AromaticContact CZ-CG 3.89Å; F564-F568 HydrophobicContact CZ-CG 3.89Å; F564-F568 WeakPolarHBondContact O-CB 3.3Å; F564-F568 PolarHBondContact O-N 3.07Å |
| 565 | L | 92.4 | Very high | 84 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.9 | -41.7 | 179.1 | -71.5 | -179.6 | 0 | 0 | 0 | 112 | Y481 E561 Q567 F569 F571 L598 C601 M602 L605 | Y481-L565 HydrophobicContact CD1-CD2 3.73Å; Y481-L565 HydrophobicContact CE1-CD2 3.52Å; Y481-L565 HydrophobicContact CE1-CG 4.46Å; E561-L565 WeakPolarHBondContact O-CG 3.26Å; E561-L565 PolarHBondContact O-N 3.12Å; L565-Q567 VanDerWaalsContact C-N 3.27Å; L565-Q567 PolarHBondContact O-N 3Å; L565-F569 HydrophobicContact CD2-CD2 3.67Å; L565-F569 HydrophobicContact CD2-CE2 3.53Å; L565-F569 WeakPolarHBondContact O-CB 3.46Å; L565-F569 PolarHBondContact O-N 3.22Å; L565-F569 VanDerWaalsContact O-N 3.1Å; L565-F571 WeakPolarHBondContact O-CD2 3.37Å; L565-L598 HydrophobicContact CB-CD1 3.62Å; L565-L598 HydrophobicContact CD1-CD1 4.44Å; L565-C601 HydrophobicContact CD1-CB 4.32Å; L565-M602 HydrophobicContact CD1-SD 3.78Å; L565-L605 HydrophobicContact CD1-CD2 3.97Å |
| 566 | N | 90.4 | Very high | 81.3 | Confident | 58 Ų | 58 | 45.2 Ų | 45.2 | 31% | 0.31 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.4 | -37.7 | 177.3 | -169 | 39.3 | 0 | 0 | 0 | 112.6 | Q562 A563 F564 F571 H572 L598 | Q562-N566 VanDerWaalsContact O-CB 3.29Å; Q562-N566 WeakPolarHBondContact O-CB 3.4Å; Q562-N566 PolarHBondContact O-N 2.92Å; A563-N566 PolarHBondContact O-N 3.15Å; F564-N566 VanDerWaalsContact C-N 3.3Å; F564-N566 PolarHBondContact O-N 3.42Å; N566-F571 PolarHBondContact O-N 2.96Å; N566-F571 WeakPolarHBondContact OD1-CB 3.16Å; N566-H572 PolarHBondContact O-ND1 2.94Å; N566-H572 VanDerWaalsContact O-ND1 3.16Å; N566-H572 PolarHBondContact OD1-N 2.97Å; N566-L598 HydrophobicContact CB-CD1 4.48Å; N566-L598 HydrophobicContact CB-CD2 3.82Å |
| 567 | Q | 91.4 | Very high | 78.6 | Confident | 102 Ų | 102 | 50.3 Ų | 50.3 | 48% | 0.477 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -77.5 | -57.5 | 178.6 | -171.1 | 179.4 | -1 | 0 | 0 | 111.4 | L456 T459 A563 F564 L565 F569 G570 | L456-Q567 HydrophobicContact CD2-CB 3.94Å; L456-Q567 HydrophobicContact CD2-CG 3.58Å; T459-Q567 WeakPolarHBondContact CG2-O 3.28Å; A563-Q567 PolarHBondContact O-N 2.97Å; F564-Q567 PolarHBondContact O-N 2.86Å; F564-Q567 VanDerWaalsContact O-N 3.14Å; L565-Q567 VanDerWaalsContact C-N 3.27Å; L565-Q567 PolarHBondContact O-N 3Å; Q567-F569 PolarHBondContact O-N 3Å; Q567-G570 PolarHBondContact O-N 3.16Å |
| 568 | F | 93 | Very high | 75.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | -172.3 | 178.6 | -116.4 | 0 | 0 | 0 | 113.3 | V389 M393 L455 L456 L458 V462 G463 F564 | V389-F568 HydrophobicContact CG1-CZ 4.45Å; M393-F568 HydrophobicContact CE-CE1 3.82Å; M393-F568 HydrophobicContact CE-CZ 4.2Å; L455-F568 HydrophobicContact CB-CD2 4.22Å; L455-F568 HydrophobicContact CB-CE2 3.95Å; L455-F568 HydrophobicContact CB-CZ 4.3Å; L455-F568 HydrophobicContact CD2-CZ 4.44Å; L455-F568 VanDerWaalsContact O-CD2 3.29Å; L455-F568 WeakPolarHBondContact O-CD2 3.24Å; L455-F568 WeakPolarHBondContact O-CE2 3.46Å; L456-F568 HydrophobicContact CD2-CB 4.13Å; L458-F568 HydrophobicContact CB-CE2 4.33Å; V462-F568 HydrophobicContact CB-CE2 4.26Å; V462-F568 HydrophobicContact CB-CZ 4.15Å; V462-F568 HydrophobicContact CG1-CE1 4.24Å; V462-F568 HydrophobicContact CG1-CE2 4.49Å; V462-F568 HydrophobicContact CG1-CZ 3.95Å; V462-F568 HydrophobicContact CG2-CE2 4.34Å; V462-F568 HydrophobicContact CG2-CZ 4.16Å; G463-F568 WeakPolarHBondContact CA-O 3.48Å; F564-F568 HydrophobicContact CD2-CB 4.44Å; F564-F568 HydrophobicContact CE1-CB 4.26Å; F564-F568 HydrophobicContact CE1-CD1 4.31Å; F564-F568 HydrophobicContact CE1-CG 4.46Å; F564-F568 HydrophobicContact CE2-CB 3.97Å; F564-F568 HydrophobicContact CE2-CG 4.3Å; F564-F568 HydrophobicContact CZ-CB 3.87Å; F564-F568 HydrophobicContact CZ-CD1 4.03Å; F564-F568 AromaticContact CZ-CG 3.89Å; F564-F568 HydrophobicContact CZ-CG 3.89Å; F564-F568 WeakPolarHBondContact O-CB 3.3Å; F564-F568 PolarHBondContact O-N 3.07Å |
| 569 | F | 92.4 | Very high | 72.9 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.009 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 0.8 | 179.1 | -70.7 | -64.5 | 0 | 0 | 0 | 113.7 | V462 Q467 Y474 I477 K478 Y481 L565 Q567 F571 | V462-F569 HydrophobicContact CG1-CD1 4.42Å; V462-F569 HydrophobicContact CG1-CE1 4.35Å; Q467-F569 PolarHBondContact OE1-O 3.42Å; Y474-F569 HydrophobicContact CD2-CD1 4.45Å; Y474-F569 HydrophobicContact CE2-CB 4.42Å; Y474-F569 AromaticContact CE2-CD1 3.78Å; Y474-F569 HydrophobicContact CE2-CD1 3.78Å; Y474-F569 PolarHBondContact OH-O 3.41Å; I477-F569 HydrophobicContact CG2-CE1 4Å; I477-F569 HydrophobicContact CG2-CZ 4.31Å; K478-F569 HydrophobicContact CB-CE1 4.3Å; K478-F569 HydrophobicContact CB-CZ 4.28Å; K478-F569 HydrophobicContact CD-CD1 4.47Å; K478-F569 HydrophobicContact CG-CD1 3.62Å; K478-F569 HydrophobicContact CG-CD2 4.36Å; K478-F569 HydrophobicContact CG-CE1 3.43Å; K478-F569 VanDerWaalsContact CG-CE1 3.43Å; K478-F569 HydrophobicContact CG-CE2 4.19Å; K478-F569 HydrophobicContact CG-CG 4.09Å; K478-F569 HydrophobicContact CG-CZ 3.75Å; Y481-F569 HydrophobicContact CD1-CE2 4.37Å; Y481-F569 HydrophobicContact CG-CE2 4.44Å; Y481-F569 HydrophobicContact CG-CZ 4.49Å; L565-F569 HydrophobicContact CD2-CD2 3.67Å; L565-F569 HydrophobicContact CD2-CE2 3.53Å; L565-F569 WeakPolarHBondContact O-CB 3.46Å; L565-F569 PolarHBondContact O-N 3.22Å; L565-F569 VanDerWaalsContact O-N 3.1Å; Q567-F569 PolarHBondContact O-N 3Å; F569-F571 HydrophobicContact CB-CD2 3.93Å; F569-F571 HydrophobicContact CB-CE2 3.63Å; F569-F571 HydrophobicContact CB-CZ 4.28Å; F569-F571 HydrophobicContact CD2-CE2 4.37Å; F569-F571 HydrophobicContact CG-CE2 4.36Å; F569-F571 PolarHBondContact O-N 3.39Å |
| 570 | G | 85.2 | Confident | 70.1 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | 70.9 | 23.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q567 H572 L573 | Q567-G570 PolarHBondContact O-N 3.16Å; G570-H572 PolarHBondContact O-N 3.47Å; G570-H572 VanDerWaalsContact O-N 3.07Å; G570-L573 WeakPolarHBondContact O-CB 3.43Å; G570-L573 PolarHBondContact O-N 3.36Å | ||
| 571 | F | 80.4 | Confident | 67.1 | Low | 15 Ų | 15 | 66.2 Ų | 66.2 | 7% | 0.066 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -58.8 | -26.7 | -176.9 | -71.5 | -73.3 | 0 | 0 | 0 | 113.9 | K478 L565 N566 F569 L573 N574 T597 L598 | K478-F571 VanDerWaalsContact NZ-CE1 3.32Å; K478-F571 VanDerWaalsContact NZ-CZ 3.34Å; L565-F571 WeakPolarHBondContact O-CD2 3.37Å; N566-F571 PolarHBondContact O-N 2.96Å; N566-F571 WeakPolarHBondContact OD1-CB 3.16Å; F569-F571 HydrophobicContact CB-CD2 3.93Å; F569-F571 HydrophobicContact CB-CE2 3.63Å; F569-F571 HydrophobicContact CB-CZ 4.28Å; F569-F571 HydrophobicContact CD2-CE2 4.37Å; F569-F571 HydrophobicContact CG-CE2 4.36Å; F569-F571 PolarHBondContact O-N 3.39Å; F571-L573 PolarHBondContact O-N 3.31Å; F571-N574 PolarHBondContact O-N 2.94Å; F571-T597 VanDerWaalsContact CE1-C 3.4Å; F571-L598 HydrophobicContact CB-CB 4.21Å; F571-L598 HydrophobicContact CD1-CB 4.2Å; F571-L598 HydrophobicContact CD2-CB 3.86Å; F571-L598 HydrophobicContact CD2-CD1 3.84Å; F571-L598 HydrophobicContact CD2-CG 4.38Å; F571-L598 VanDerWaalsContact CE1-N 3.33Å; F571-L598 HydrophobicContact CE2-CB 4.2Å; F571-L598 HydrophobicContact CE2-CD1 3.96Å; F571-L598 HydrophobicContact CG-CB 3.84Å |
| 572 | H | 68.8 | Low | 64.1 | Low | 97 Ų | 97 | 72.4 Ų | 72.4 | 45% | 0.449 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -60 | -27.5 | 174.7 | 60.5 | -82 | 0 | 0 | 0 | 113.8 | N566 G570 N574 T575 | N566-H572 PolarHBondContact O-ND1 2.94Å; N566-H572 VanDerWaalsContact O-ND1 3.16Å; N566-H572 PolarHBondContact OD1-N 2.97Å; G570-H572 PolarHBondContact O-N 3.47Å; G570-H572 VanDerWaalsContact O-N 3.07Å; H572-N574 VanDerWaalsContact C-N 3.31Å; H572-N574 PolarHBondContact O-N 3.49Å; H572-T575 PolarHBondContact O-OG1 2.86Å |
| 573 | L | 58.1 | Low | 61.1 | Low | 84 Ų | 84 | 74.2 Ų | 74.2 | 44% | 0.44 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -73.2 | -22.4 | 179.3 | -66.5 | 153.5 | 0 | 0 | 0 | 112.6 | N464 G570 F571 T575 | N464-L573 WeakPolarHBondContact OD1-CD1 3.28Å; G570-L573 WeakPolarHBondContact O-CB 3.43Å; G570-L573 PolarHBondContact O-N 3.36Å; F571-L573 PolarHBondContact O-N 3.31Å; L573-T575 VanDerWaalsContact C-N 3.35Å |
| 574 | N | 50 | Low | 58.1 | Low | 38 Ų | 38 | 76.3 Ų | 76.3 | 20% | 0.203 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -85.8 | -2.4 | -176.2 | -70.8 | -15.9 | 0 | 0 | 0 | 114.1 | Q467 F571 H572 S576 Q577 I578 | Q467-N574 PolarHBondContact NE2-ND2 2.86Å; Q467-N574 PolarHBondContact NE2-OD1 3.41Å; F571-N574 PolarHBondContact O-N 2.94Å; H572-N574 VanDerWaalsContact C-N 3.31Å; H572-N574 PolarHBondContact O-N 3.49Å; N574-S576 PolarHBondContact O-N 3.19Å; N574-S576 VanDerWaalsContact O-N 3.07Å; N574-Q577 PolarHBondContact O-N 3.4Å; N574-I578 HydrophobicContact CB-CD1 3.66Å; N574-I578 HydrophobicContact CB-CG1 4.28Å; N574-I578 PolarHBondContact O-N 3.06Å |
| 575 | T | 42.3 | Very low | 55.1 | Low | 97 Ų | 97 | 81.7 Ų | 81.7 | 60% | 0.595 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -58.7 | -26.7 | -175.4 | -46.6 | 0 | 0 | 0 | 0 | 112.3 | H572 L573 Q577 | H572-T575 PolarHBondContact O-OG1 2.86Å; L573-T575 VanDerWaalsContact C-N 3.35Å; T575-Q577 PolarHBondContact O-N 3.36Å |
| 576 | S | 38.6 | Very low | 51.8 | Low | 106 Ų | 106 | 88.3 Ų | 88.3 | 74% | 0.741 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -76.6 | -12.1 | 178 | 53.3 | 0 | 0 | 0 | 0 | 115.4 | N574 | N574-S576 PolarHBondContact O-N 3.19Å; N574-S576 VanDerWaalsContact O-N 3.07Å |
| 577 | Q | 34.7 | Very low | 48.8 | Very low | 167 Ų | 167 | 93.1 Ų | 93.1 | 78% | 0.78 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | -15.5 | -178 | -67.9 | -168.1 | -2.8 | 0 | 0 | 114.7 | N574 T575 E579 | N574-Q577 PolarHBondContact O-N 3.4Å; T575-Q577 PolarHBondContact O-N 3.36Å; Q577-E579 PolarHBondContact O-N 3.4Å |
| 578 | I | 35 | Very low | 45.8 | Very low | 65 Ų | 65 | 97.3 Ų | 97.3 | 33% | 0.333 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -83.6 | -8.8 | -173 | -65.7 | 173 | 0 | 0 | 0 | 113.4 | N574 K580 S581 | N574-I578 HydrophobicContact CB-CD1 3.66Å; N574-I578 HydrophobicContact CB-CG1 4.28Å; N574-I578 PolarHBondContact O-N 3.06Å; I578-K580 PolarHBondContact O-N 2.78Å; I578-S581 PolarHBondContact O-N 3.01Å |
| 579 | E | 30 | Very low | 42.5 | Very low | 178 Ų | 178 | 104.9 Ų | 104.9 | 83% | 0.832 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -61.4 | -2.2 | -179.4 | -72.6 | -170 | 164.9 | 0 | 0 | 115.8 | Q577 | Q577-E579 PolarHBondContact O-N 3.4Š|
| 580 | K | 32.7 | Very low | 39.5 | Very low | 205 Ų | 205 | 111 Ų | 111 | 89% | 0.891 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -119.2 | -0.3 | -177.2 | -69.5 | -173.3 | -179.8 | 176.7 | 0 | 117.3 | I578 | I578-K580 PolarHBondContact O-N 2.78Š|
| 581 | S | 27.2 | Very low | 36.9 | Very low | 73 Ų | 73 | 121.8 Ų | 121.8 | 51% | 0.51 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -149 | 130.7 | -179.2 | 62.5 | 0 | 0 | 0 | 0 | 114.6 | I578 | I578-S581 PolarHBondContact O-N 3.01Š|
| 582 | H | 28.8 | Very low | 35 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 60% | 0.597 | 62% | 0.62 | S | S | * | * | trans | 92.1 | 73.5 | 166.4 | -58.9 | -73.3 | 0 | 0 | 0 | 117.1 | ||||
| 583 | N | 28.9 | Very low | 34.4 | Very low | 81 Ų | 81 | 122.6 Ų | 122.6 | 43% | 0.433 | 62% | 0.621 | S | S | . | * | trans | -116.4 | 29.4 | 165 | -118.3 | -19.5 | 0 | 0 | 0 | 112.3 | K692 | N583-K692 HydrophobicContact CB-CD 4.36Š| ||
| 584 | T | 27.7 | Very low | 34.9 | Very low | 99 Ų | 99 | 124 Ų | 124 | 61% | 0.607 | 63% | 0.626 | S | S | * | * | trans | -118.5 | 99.7 | -177.6 | -47.1 | 0 | 0 | 0 | 0 | 110.5 | M586 | T584-M586 VanDerWaalsContact C-N 3.33Å; T584-M586 HydrophobicContact CG2-CG 3.97Å; T584-M586 PolarHBondContact O-N 2.87Å | ||
| 585 | V | 28.7 | Very low | 36.4 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 72% | 0.721 | 62% | 0.619 | S | S | * | * | trans | -59.1 | 94.5 | 163.8 | 178.6 | 0 | 0 | 0 | 0 | 108.1 | Y587 | V585-Y587 HydrophobicContact CG1-CD2 4.29Å; V585-Y587 HydrophobicContact CG1-CE2 4.04Å | ||
| 586 | M | 23.9 | Very low | 38.1 | Very low | 140 Ų | 140 | 120.9 Ų | 120.9 | 69% | 0.69 | 61% | 0.61 | S | S | * | * | trans | -135.8 | 106.8 | 166 | -82.9 | -65.2 | 175.8 | 0 | 0 | 108.8 | T584 | T584-M586 VanDerWaalsContact C-N 3.33Å; T584-M586 HydrophobicContact CG2-CG 3.97Å; T584-M586 PolarHBondContact O-N 2.87Å | ||
| 587 | Y | 26.6 | Very low | 40.4 | Very low | 158 Ų | 158 | 117.7 Ų | 117.7 | 62% | 0.62 | 59% | 0.586 | S | S | * | * | trans | -67.5 | 140.8 | 173.5 | -77.9 | -94.2 | 0 | 0 | 0 | 110.7 | V585 R704 | V585-Y587 HydrophobicContact CG1-CD2 4.29Å; V585-Y587 HydrophobicContact CG1-CE2 4.04Å; Y587-R704 PolarHBondContact OH-NH1 3Å; Y587-R704 PolarHBondContact OH-NH2 3.24Å | ||
| 588 | K | 28.1 | Very low | 42.9 | Very low | 191 Ų | 191 | 111.2 Ų | 111.2 | 83% | 0.83 | 56% | 0.557 | S | S | * | * | S | Bend | trans | 69.1 | 80.7 | 168.2 | -61.3 | 179.4 | 176.6 | 179.4 | 0 | 115.3 | ||
| 589 | N | 25.3 | Very low | 45.5 | Very low | 159 Ų | 159 | 111.5 Ų | 111.5 | 85% | 0.85 | 56% | 0.556 | S | S | * | * | trans | 158.8 | 76.6 | 136.5 | -82.8 | -15.6 | 0 | 0 | 0 | 108.6 | ||||
| 590 | Y | 27.8 | Very low | 48.2 | Very low | 131 Ų | 131 | 105.3 Ų | 105.3 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | trans | -120.1 | 107.3 | 171.8 | -89.2 | -83.6 | 0 | 0 | 0 | 109.4 | ||||
| 591 | K | 32.4 | Very low | 51 | Low | 226 Ų | 226 | 95.6 Ų | 95.6 | 98% | 0.983 | 49% | 0.486 | S | S | * | . | trans | -90.2 | 30.9 | 156.5 | -77.1 | -174 | 172.8 | -177.5 | 0 | 110.3 | ||||
| 592 | G | 39.8 | Very low | 54.1 | Low | 38 Ų | 38 | 92.1 Ų | 92.1 | 39% | 0.392 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -88.3 | 162.1 | 166 | 0 | 0 | 0 | 0 | 0 | 109.1 | E594 | G592-E594 PolarHBondContact O-N 2.89Š|
| 593 | D | 56.2 | Low | 57.1 | Low | 91 Ų | 91 | 88.7 Ų | 88.7 | 49% | 0.487 | 45% | 0.45 | S | S | . | . | trans | -54.6 | 95.1 | -177.7 | -154.9 | 8.8 | 0 | 0 | 0 | 110.8 | I475 L595 S596 | I475-D593 WeakPolarHBondContact CD1-OD1 3.49Å; I475-D593 WeakPolarHBondContact CD1-OD2 3.47Å; D593-L595 PolarHBondContact O-N 3.15Å; D593-S596 WeakPolarHBondContact O-CB 3.43Å; D593-S596 PolarHBondContact O-N 2.97Å; D593-S596 VanDerWaalsContact O-N 3.17Å | ||
| 594 | E | 67.4 | Low | 60.1 | Low | 113 Ų | 113 | 88.2 Ų | 88.2 | 53% | 0.528 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -10.6 | -165.3 | -68.5 | 179.6 | 162.6 | 0 | 0 | 114 | G592 D600 | G592-E594 PolarHBondContact O-N 2.89Å; E594-D600 VanDerWaalsContact O-CB 3.25Å; E594-D600 WeakPolarHBondContact O-CB 3.42Å |
| 595 | L | 82.2 | Confident | 63.2 | Low | 11 Ų | 11 | 83.6 Ų | 83.6 | 6% | 0.058 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | 31.2 | -173.6 | -60.4 | 174.1 | 0 | 0 | 0 | 112.4 | K478 R479 I482 D593 H604 | K478-L595 HydrophobicContact CB-CD1 4.11Å; K478-L595 HydrophobicContact CD-CB 4.28Å; K478-L595 PolarHBondContact NZ-O 3.36Å; R479-L595 HydrophobicContact CB-CD1 4.1Å; I482-L595 HydrophobicContact CD1-CD1 3.99Å; I482-L595 HydrophobicContact CD1-CD2 3.37Å; I482-L595 HydrophobicContact CD1-CG 4.29Å; D593-L595 PolarHBondContact O-N 3.15Å; L595-H604 HydrophobicContact CD2-CB 4.25Å |
| 596 | S | 78.3 | Confident | 66.3 | Low | 59 Ų | 59 | 78.2 Ų | 78.2 | 41% | 0.413 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -68.5 | -40.7 | -175.1 | 71.6 | 0 | 0 | 0 | 0 | 113.2 | D593 D600 | D593-S596 WeakPolarHBondContact O-CB 3.43Å; D593-S596 PolarHBondContact O-N 2.97Å; D593-S596 VanDerWaalsContact O-N 3.17Å; S596-D600 PolarHBondContact OG-OD2 2.86Å; S596-D600 VanDerWaalsContact OG-OD2 3.04Å |
| 597 | T | 85.9 | Confident | 69.4 | Low | 39 Ų | 39 | 75.5 Ų | 75.5 | 24% | 0.239 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -110.6 | 160.2 | -178 | 71.3 | 0 | 0 | 0 | 0 | 112.1 | F571 F599 D600 C601 | F571-T597 VanDerWaalsContact CE1-C 3.4Å; T597-F599 PolarHBondContact O-N 2.85Å; T597-F599 PolarHBondContact OG1-N 2.99Å; T597-D600 WeakPolarHBondContact CB-OD2 3.41Å; T597-D600 PolarHBondContact N-OD2 3.1Å; T597-D600 PolarHBondContact O-N 3.05Å; T597-D600 PolarHBondContact OG1-N 2.91Å; T597-D600 VanDerWaalsContact OG1-N 3.12Å; T597-D600 PolarHBondContact OG1-OD1 2.68Å; T597-D600 PolarHBondContact OG1-OD2 3.04Å; T597-C601 PolarHBondContact O-N 3.45Å; T597-C601 VanDerWaalsContact O-N 3.16Å |
| 598 | L | 87.7 | Confident | 72.5 | Confident | 31 Ų | 31 | 70 Ų | 70 | 16% | 0.162 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.1 | -38.8 | 170.8 | 177 | 61.9 | 0 | 0 | 0 | 110.9 | Q562 L565 N566 F571 D600 C601 M602 | Q562-L598 HydrophobicContact CG-CD2 4Å; Q562-L598 HydrophobicContact CG-CG 4.41Å; L565-L598 HydrophobicContact CB-CD1 3.62Å; L565-L598 HydrophobicContact CD1-CD1 4.44Å; N566-L598 HydrophobicContact CB-CD1 4.48Å; N566-L598 HydrophobicContact CB-CD2 3.82Å; F571-L598 HydrophobicContact CB-CB 4.21Å; F571-L598 HydrophobicContact CD1-CB 4.2Å; F571-L598 HydrophobicContact CD2-CB 3.86Å; F571-L598 HydrophobicContact CD2-CD1 3.84Å; F571-L598 HydrophobicContact CD2-CG 4.38Å; F571-L598 VanDerWaalsContact CE1-N 3.33Å; F571-L598 HydrophobicContact CE2-CB 4.2Å; F571-L598 HydrophobicContact CE2-CD1 3.96Å; F571-L598 HydrophobicContact CG-CB 3.84Å; L598-D600 VanDerWaalsContact C-N 3.35Å; L598-D600 PolarHBondContact O-N 3.25Å; L598-C601 PolarHBondContact O-N 2.87Å; L598-M602 HydrophobicContact CD1-CG 4.29Å; L598-M602 HydrophobicContact CG-CG 4.4Å; L598-M602 VanDerWaalsContact O-CG 3.23Å; L598-M602 WeakPolarHBondContact O-CG 3.32Å; L598-M602 PolarHBondContact O-N 3.17Å |
| 599 | F | 88.9 | Confident | 75.6 | Confident | 71 Ų | 71 | 61 Ų | 61 | 31% | 0.311 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 178.5 | -175.3 | -85.9 | 0 | 0 | 0 | 111.3 | T597 C601 M602 V603 N700 | T597-F599 PolarHBondContact O-N 2.85Å; T597-F599 PolarHBondContact OG1-N 2.99Å; F599-C601 PolarHBondContact O-N 2.98Å; F599-M602 PolarHBondContact O-N 3.24Å; F599-V603 HydrophobicContact CD1-CG2 3.86Å; F599-V603 HydrophobicContact CE1-CG2 3.54Å; F599-V603 HydrophobicContact CZ-CG2 4.12Å; F599-V603 WeakPolarHBondContact O-CG2 3.37Å; F599-V603 PolarHBondContact O-N 3.17Å; F599-N700 HydrophobicContact CE2-CB 4.2Å; F599-N700 HydrophobicContact CZ-CB 4.47Å; F599-N700 WeakPolarHBondContact CZ-ND2 3.38Å |
| 600 | D | 87.9 | Confident | 78.9 | Confident | 47 Ų | 47 | 56 Ų | 56 | 25% | 0.251 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 177.9 | -53.8 | -41 | 0 | 0 | 0 | 111.1 | E594 S596 T597 L598 M602 V603 H604 | E594-D600 VanDerWaalsContact O-CB 3.25Å; E594-D600 WeakPolarHBondContact O-CB 3.42Å; S596-D600 PolarHBondContact OG-OD2 2.86Å; S596-D600 VanDerWaalsContact OG-OD2 3.04Å; T597-D600 WeakPolarHBondContact CB-OD2 3.41Å; T597-D600 PolarHBondContact N-OD2 3.1Å; T597-D600 PolarHBondContact O-N 3.05Å; T597-D600 PolarHBondContact OG1-N 2.91Å; T597-D600 VanDerWaalsContact OG1-N 3.12Å; T597-D600 PolarHBondContact OG1-OD1 2.68Å; T597-D600 PolarHBondContact OG1-OD2 3.04Å; L598-D600 VanDerWaalsContact C-N 3.35Å; L598-D600 PolarHBondContact O-N 3.25Å; D600-M602 VanDerWaalsContact C-N 3.28Å; D600-M602 PolarHBondContact O-N 3.22Å; D600-V603 PolarHBondContact O-N 2.98Å; D600-H604 PolarHBondContact O-CD2 3.17Å; D600-H604 VanDerWaalsContact O-CD2 3.23Å; D600-H604 PolarHBondContact O-N 3.49Å |
| 601 | C | 90.9 | Very high | 82 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.2 | -42 | 175.6 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | I482 L565 T597 L598 F599 H604 L605 | I482-C601 HydrophobicContact CD1-CB 4.06Å; L565-C601 HydrophobicContact CD1-CB 4.32Å; T597-C601 PolarHBondContact O-N 3.45Å; T597-C601 VanDerWaalsContact O-N 3.16Å; L598-C601 PolarHBondContact O-N 2.87Å; F599-C601 PolarHBondContact O-N 2.98Å; C601-H604 PolarHBondContact O-N 3.34Å; C601-L605 VanDerWaalsContact O-CB 3.23Å; C601-L605 WeakPolarHBondContact O-CB 3.29Å; C601-L605 PolarHBondContact O-N 3.27Å |
| 602 | M | 93.2 | Very high | 85 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.8 | -40.5 | 177.8 | -67.8 | -63.1 | -67.3 | 0 | 0 | 112.4 | I558 Q562 L565 L598 F599 D600 H604 L605 F606 Y697 | I558-M602 HydrophobicContact CG2-CE 3.49Å; I558-M602 VanDerWaalsContact CG2-CE 3.49Å; Q562-M602 HydrophobicContact CB-CE 3.63Å; Q562-M602 HydrophobicContact CB-SD 3.85Å; Q562-M602 HydrophobicContact CG-CE 4.1Å; Q562-M602 HydrophobicContact CG-CG 4.25Å; Q562-M602 HydrophobicContact CG-SD 4.08Å; L565-M602 HydrophobicContact CD1-SD 3.78Å; L598-M602 HydrophobicContact CD1-CG 4.29Å; L598-M602 HydrophobicContact CG-CG 4.4Å; L598-M602 VanDerWaalsContact O-CG 3.23Å; L598-M602 WeakPolarHBondContact O-CG 3.32Å; L598-M602 PolarHBondContact O-N 3.17Å; F599-M602 PolarHBondContact O-N 3.24Å; D600-M602 VanDerWaalsContact C-N 3.28Å; D600-M602 PolarHBondContact O-N 3.22Å; M602-H604 VanDerWaalsContact C-N 3.34Å; M602-H604 PolarHBondContact O-N 3.41Å; M602-L605 PolarHBondContact O-N 3.25Å; M602-F606 HydrophobicContact CE-CD2 3.73Å; M602-F606 HydrophobicContact CE-CE2 3.46Å; M602-F606 VanDerWaalsContact CE-CE2 3.46Å; M602-F606 PolarHBondContact O-N 3.29Å; M602-F606 HydrophobicContact SD-CD2 4.43Å; M602-F606 HydrophobicContact SD-CE2 4.13Å; M602-Y697 HydrophobicContact CB-CD1 3.9Å; M602-Y697 HydrophobicContact CB-CD2 3.65Å; M602-Y697 HydrophobicContact CB-CE1 4.41Å; M602-Y697 HydrophobicContact CB-CE2 4.21Å; M602-Y697 HydrophobicContact CB-CG 3.5Å; M602-Y697 VanDerWaalsContact CB-CG 3.5Å; M602-Y697 HydrophobicContact CE-CD1 3.68Å; M602-Y697 HydrophobicContact CE-CE1 4.13Å; M602-Y697 HydrophobicContact CE-CG 4.35Å; M602-Y697 HydrophobicContact CG-CD1 4.49Å; M602-Y697 HydrophobicContact CG-CG 4.27Å |
| 603 | V | 91.7 | Very high | 87.7 | Confident | 57 Ų | 57 | 43 Ų | 43 | 35% | 0.345 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 175.9 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | F599 D600 D607 Y697 | F599-V603 HydrophobicContact CD1-CG2 3.86Å; F599-V603 HydrophobicContact CE1-CG2 3.54Å; F599-V603 HydrophobicContact CZ-CG2 4.12Å; F599-V603 WeakPolarHBondContact O-CG2 3.37Å; F599-V603 PolarHBondContact O-N 3.17Å; D600-V603 PolarHBondContact O-N 2.98Å; V603-D607 WeakPolarHBondContact O-CA 3.46Å; V603-D607 PolarHBondContact O-N 3.42Å; V603-Y697 HydrophobicContact CG2-CD2 3.98Å; V603-Y697 HydrophobicContact CG2-CE2 3.96Å |
| 604 | H | 90.8 | Very high | 89.6 | Confident | 72 Ų | 72 | 40.2 Ų | 40.2 | 33% | 0.333 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -72.1 | -38.1 | 177.7 | -78.3 | -81 | 0 | 0 | 0 | 112.7 | I482 L595 D600 C601 M602 | I482-H604 HydrophobicContact CD1-CB 4.41Å; I482-H604 HydrophobicContact CG2-CB 3.98Å; L595-H604 HydrophobicContact CD2-CB 4.25Å; D600-H604 PolarHBondContact O-CD2 3.17Å; D600-H604 VanDerWaalsContact O-CD2 3.23Å; D600-H604 PolarHBondContact O-N 3.49Å; C601-H604 PolarHBondContact O-N 3.34Å; M602-H604 VanDerWaalsContact C-N 3.34Å; M602-H604 PolarHBondContact O-N 3.41Å |
| 605 | L | 93.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.6 | -35.4 | -179.2 | -175.1 | 60.4 | 0 | 0 | 0 | 112.9 | Q486 F489 E561 L565 C601 M602 | Q486-L605 HydrophobicContact CB-CD1 4.39Å; F489-L605 HydrophobicContact CD2-CD1 3.73Å; F489-L605 HydrophobicContact CD2-CD2 4.16Å; F489-L605 HydrophobicContact CD2-CG 3.94Å; F489-L605 HydrophobicContact CE2-CD1 3.98Å; F489-L605 HydrophobicContact CE2-CD2 3.92Å; F489-L605 HydrophobicContact CE2-CG 4.2Å; E561-L605 HydrophobicContact CG-CD2 3.49Å; E561-L605 VanDerWaalsContact CG-CD2 3.49Å; L565-L605 HydrophobicContact CD1-CD2 3.97Å; C601-L605 VanDerWaalsContact O-CB 3.23Å; C601-L605 WeakPolarHBondContact O-CB 3.29Å; C601-L605 PolarHBondContact O-N 3.27Å; M602-L605 PolarHBondContact O-N 3.25Å |
| 606 | F | 94.6 | Very high | 91.5 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 2% | 0.022 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115 | 27.2 | -177.2 | -65.2 | -75.7 | 0 | 0 | 0 | 112.7 | F489 I493 I558 E561 M602 N608 V609 Y697 | F489-F606 HydrophobicContact CB-CD1 4.31Å; F489-F606 HydrophobicContact CB-CE1 3.84Å; F489-F606 HydrophobicContact CD1-CE1 4.16Å; F489-F606 HydrophobicContact CD1-CZ 4.39Å; F489-F606 HydrophobicContact CD2-CE1 4.33Å; F489-F606 HydrophobicContact CD2-CZ 4.34Å; F489-F606 AromaticContact CG-CE1 3.86Å; F489-F606 HydrophobicContact CG-CE1 3.86Å; F489-F606 HydrophobicContact CG-CZ 4.21Å; I493-F606 HydrophobicContact CD1-CD1 3.84Å; I493-F606 HydrophobicContact CD1-CE1 4.13Å; I558-F606 HydrophobicContact CB-CE2 4.44Å; I558-F606 HydrophobicContact CB-CZ 4.32Å; I558-F606 HydrophobicContact CG1-CD1 4Å; I558-F606 HydrophobicContact CG1-CD2 4.43Å; I558-F606 HydrophobicContact CG1-CE1 3.79Å; I558-F606 HydrophobicContact CG1-CE2 4.25Å; I558-F606 HydrophobicContact CG1-CG 4.32Å; I558-F606 HydrophobicContact CG1-CZ 3.93Å; I558-F606 HydrophobicContact CG2-CD2 4.42Å; I558-F606 HydrophobicContact CG2-CE2 4.22Å; E561-F606 HydrophobicContact CB-CE2 4.27Å; E561-F606 HydrophobicContact CB-CZ 4.02Å; E561-F606 HydrophobicContact CG-CE2 4.26Å; E561-F606 HydrophobicContact CG-CZ 4.13Å; M602-F606 HydrophobicContact CE-CD2 3.73Å; M602-F606 HydrophobicContact CE-CE2 3.46Å; M602-F606 VanDerWaalsContact CE-CE2 3.46Å; M602-F606 PolarHBondContact O-N 3.29Å; M602-F606 HydrophobicContact SD-CD2 4.43Å; M602-F606 HydrophobicContact SD-CE2 4.13Å; F606-N608 PolarHBondContact O-N 2.8Å; F606-V609 HydrophobicContact CB-CB 4.41Å; F606-V609 HydrophobicContact CB-CG1 3.94Å; F606-V609 WeakPolarHBondContact O-CG1 3.44Å; F606-V609 PolarHBondContact O-N 3.34Å; F606-Y697 HydrophobicContact CB-CE1 4.29Å; F606-Y697 WeakPolarHBondContact CB-OH 3.42Å; F606-Y697 HydrophobicContact CD2-CE1 4.19Å; F606-Y697 HydrophobicContact CG-CE1 4.49Å |
| 607 | D | 89.4 | Confident | 92.4 | Very high | 84 Ų | 84 | 35.2 Ų | 35.2 | 45% | 0.449 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -32.7 | -175.6 | 71.3 | -31.4 | 0 | 0 | 0 | 115.7 | Q486 V603 | Q486-D607 PolarHBondContact NE2-OD1 3.29Å; Q486-D607 PolarHBondContact NE2-OD2 2.93Å; V603-D607 WeakPolarHBondContact O-CA 3.46Å; V603-D607 PolarHBondContact O-N 3.42Å |
| 608 | N | 89.8 | Confident | 92.8 | Very high | 42 Ų | 42 | 36.2 Ų | 36.2 | 23% | 0.225 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -13.8 | -176.5 | -72.7 | -85.9 | 0 | 0 | 0 | 113.8 | K490 F606 E610 Q611 D612 | K490-N608 HydrophobicContact CD-CB 4.37Å; K490-N608 VanDerWaalsContact NZ-CG 3.31Å; K490-N608 PolarHBondContact NZ-ND2 2.94Å; K490-N608 PolarHBondContact NZ-OD1 3.11Å; K490-N608 VanDerWaalsContact NZ-OD1 3.15Å; F606-N608 PolarHBondContact O-N 2.8Å; N608-E610 VanDerWaalsContact C-N 3.31Å; N608-E610 PolarHBondContact O-N 3.18Å; N608-Q611 PolarHBondContact O-N 3.42Å; N608-Q611 VanDerWaalsContact O-N 3.14Å; N608-D612 PolarHBondContact O-N 2.99Å |
| 609 | V | 94.3 | Very high | 93 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.8 | -38.3 | -170.5 | 72.1 | 0 | 0 | 0 | 0 | 112.4 | I493 I554 I558 F606 D612 I613 Y697 F701 | I493-V609 HydrophobicContact CD1-CB 4.15Å; I493-V609 HydrophobicContact CD1-CG2 3.84Å; I493-V609 HydrophobicContact CG2-CG2 4.06Å; I554-V609 HydrophobicContact CG2-CG2 4.23Å; I558-V609 HydrophobicContact CD1-CG2 4.49Å; F606-V609 HydrophobicContact CB-CB 4.41Å; F606-V609 HydrophobicContact CB-CG1 3.94Å; F606-V609 WeakPolarHBondContact O-CG1 3.44Å; F606-V609 PolarHBondContact O-N 3.34Å; V609-D612 PolarHBondContact O-N 3.16Å; V609-I613 HydrophobicContact CG2-CD1 4.28Å; V609-I613 WeakPolarHBondContact O-CG1 3.08Å; V609-I613 PolarHBondContact O-N 2.67Å; V609-Y697 WeakPolarHBondContact CG1-OH 3.37Å; V609-F701 HydrophobicContact CB-CE2 4.37Å; V609-F701 HydrophobicContact CB-CZ 4.48Å; V609-F701 HydrophobicContact CG1-CD2 4.02Å; V609-F701 HydrophobicContact CG1-CE2 3.52Å; V609-F701 HydrophobicContact CG1-CZ 3.9Å; V609-F701 HydrophobicContact CG2-CE2 4.05Å; V609-F701 HydrophobicContact CG2-CZ 3.71Å |
| 610 | E | 93.7 | Very high | 93.1 | Very high | 55 Ų | 55 | 34.2 Ų | 34.2 | 26% | 0.257 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.5 | -47.6 | 177.1 | -169.7 | 174.9 | 164.1 | 0 | 0 | 110 | N608 D612 I613 L614 F701 R704 L705 | N608-E610 VanDerWaalsContact C-N 3.31Å; N608-E610 PolarHBondContact O-N 3.18Å; E610-D612 PolarHBondContact O-N 3.45Å; E610-I613 PolarHBondContact O-N 3.28Å; E610-L614 HydrophobicContact CG-CD1 4.39Å; E610-L614 VanDerWaalsContact O-CG 3.25Å; E610-L614 WeakPolarHBondContact O-CG 3.36Å; E610-L614 PolarHBondContact O-N 3.48Å; E610-F701 HydrophobicContact CB-CE2 4.47Å; E610-R704 WeakPolarHBondContact OE1-CD 2.99Å; E610-R704 WeakPolarHBondContact OE2-CD 3.48Å; E610-R704 IonicContact OE2-NH1 3.34Å; E610-R704 PolarHBondContact OE2-NH1 3.47Å; E610-R704 VanDerWaalsContact OE2-NH1 3.15Å; E610-L705 HydrophobicContact CG-CD2 4.38Å |
| 611 | Q | 94.5 | Very high | 93.2 | Very high | 101 Ų | 101 | 32.6 Ų | 32.6 | 47% | 0.472 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -66 | -39.3 | 178.3 | -172.2 | 59.1 | 56.6 | 0 | 0 | 112.7 | N608 I613 L614 N615 | N608-Q611 PolarHBondContact O-N 3.42Å; N608-Q611 VanDerWaalsContact O-N 3.14Å; Q611-I613 VanDerWaalsContact C-N 3.33Å; Q611-I613 PolarHBondContact O-N 2.85Å; Q611-L614 PolarHBondContact O-N 3.27Å; Q611-N615 PolarHBondContact NE2-OD1 2.95Å; Q611-N615 VanDerWaalsContact NE2-OD1 3.13Å; Q611-N615 PolarHBondContact O-N 3.36Å; Q611-N615 PolarHBondContact O-ND2 2.92Å; Q611-N615 PolarHBondContact O-OD1 3.43Å |
| 612 | D | 94.8 | Very high | 93 | Very high | 20 Ų | 20 | 40 Ų | 40 | 11% | 0.107 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.1 | -37.8 | 178.5 | -75.4 | -32 | 0 | 0 | 0 | 111.6 | L497 N608 V609 E610 N615 L616 | L497-D612 HydrophobicContact CD1-CB 3.59Å; N608-D612 PolarHBondContact O-N 2.99Å; V609-D612 PolarHBondContact O-N 3.16Å; E610-D612 PolarHBondContact O-N 3.45Å; D612-N615 WeakPolarHBondContact O-CB 3.25Å; D612-N615 PolarHBondContact O-N 3.33Å; D612-L616 PolarHBondContact O-N 3.08Å; D612-L616 VanDerWaalsContact O-N 3.14Å |
| 613 | I | 96 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -75.1 | -33.3 | 174.5 | -64.5 | 178.9 | 0 | 0 | 0 | 111.7 | L497 F551 I554 V609 E610 Q611 N615 L616 I617 F701 L705 | L497-I613 HydrophobicContact CD1-CG1 4.4Å; L497-I613 HydrophobicContact CD2-CG1 4.17Å; F551-I613 HydrophobicContact CE1-CD1 3.91Å; F551-I613 HydrophobicContact CE1-CG2 4.4Å; F551-I613 HydrophobicContact CZ-CG2 4.16Å; I554-I613 HydrophobicContact CD1-CD1 4.29Å; V609-I613 HydrophobicContact CG2-CD1 4.28Å; V609-I613 WeakPolarHBondContact O-CG1 3.08Å; V609-I613 PolarHBondContact O-N 2.67Å; E610-I613 PolarHBondContact O-N 3.28Å; Q611-I613 VanDerWaalsContact C-N 3.33Å; Q611-I613 PolarHBondContact O-N 2.85Å; I613-N615 PolarHBondContact O-N 2.93Å; I613-L616 CarbonylContact O-C 3.55Å; I613-L616 WeakPolarHBondContact O-CA 3.4Å; I613-L616 WeakPolarHBondContact O-CB 3.35Å; I613-L616 PolarHBondContact O-N 3.34Å; I613-I617 HydrophobicContact CG2-CD1 4.47Å; I613-I617 WeakPolarHBondContact O-CG1 3.32Å; I613-I617 PolarHBondContact O-N 2.93Å; I613-F701 HydrophobicContact CD1-CE1 4.44Å; I613-F701 HydrophobicContact CD1-CE2 4.16Å; I613-F701 HydrophobicContact CD1-CZ 3.5Å; I613-L705 HydrophobicContact CB-CD1 4.47Å; I613-L705 HydrophobicContact CB-CD2 3.94Å; I613-L705 HydrophobicContact CD1-CD1 3.73Å; I613-L705 HydrophobicContact CG2-CD1 4.02Å; I613-L705 HydrophobicContact CG2-CD2 3.7Å; I613-L705 HydrophobicContact CG2-CG 4.44Å |
| 614 | L | 95.7 | Very high | 92.5 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 17% | 0.173 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61 | -35.3 | 170.4 | -70.4 | 169 | 0 | 0 | 0 | 112 | E610 Q611 L616 I617 T618 E708 | E610-L614 HydrophobicContact CG-CD1 4.39Å; E610-L614 VanDerWaalsContact O-CG 3.25Å; E610-L614 WeakPolarHBondContact O-CG 3.36Å; E610-L614 PolarHBondContact O-N 3.48Å; Q611-L614 PolarHBondContact O-N 3.27Å; L614-L616 VanDerWaalsContact C-N 3.35Å; L614-I617 HydrophobicContact CD2-CD1 4.11Å; L614-I617 PolarHBondContact O-N 3.44Å; L614-T618 WeakPolarHBondContact O-CB 3.01Å; L614-T618 PolarHBondContact O-N 3.39Å; L614-T618 PolarHBondContact O-OG1 3.48Å; L614-E708 HydrophobicContact CD2-CB 3.42Å; L614-E708 VanDerWaalsContact CD2-CB 3.42Å; L614-E708 HydrophobicContact CD2-CG 3.51Å |
| 615 | N | 95.5 | Very high | 92.2 | Very high | 74 Ų | 74 | 38.5 Ų | 38.5 | 40% | 0.396 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.2 | -37.3 | 172.3 | -60.7 | -24.3 | 0 | 0 | 0 | 111.3 | Q611 D612 I613 T618 Y619 | Q611-N615 PolarHBondContact NE2-OD1 2.95Å; Q611-N615 VanDerWaalsContact NE2-OD1 3.13Å; Q611-N615 PolarHBondContact O-N 3.36Å; Q611-N615 PolarHBondContact O-ND2 2.92Å; Q611-N615 PolarHBondContact O-OD1 3.43Å; D612-N615 WeakPolarHBondContact O-CB 3.25Å; D612-N615 PolarHBondContact O-N 3.33Å; I613-N615 PolarHBondContact O-N 2.93Å; N615-T618 PolarHBondContact O-N 2.94Å; N615-Y619 VanDerWaalsContact O-CB 3.3Å; N615-Y619 WeakPolarHBondContact O-CB 3.29Å; N615-Y619 PolarHBondContact O-N 2.71Å |
| 616 | L | 95.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.9 | -45.8 | 171.7 | 176.7 | 66.6 | 0 | 0 | 0 | 111.9 | L497 T500 Q501 D612 I613 L614 T618 Y619 C620 | L497-L616 HydrophobicContact CD2-CB 4.29Å; L497-L616 HydrophobicContact CD2-CD2 3.75Å; T500-L616 HydrophobicContact CG2-CD2 4.47Å; Q501-L616 HydrophobicContact CG-CD1 3.68Å; D612-L616 PolarHBondContact O-N 3.08Å; D612-L616 VanDerWaalsContact O-N 3.14Å; I613-L616 CarbonylContact O-C 3.55Å; I613-L616 WeakPolarHBondContact O-CA 3.4Å; I613-L616 WeakPolarHBondContact O-CB 3.35Å; I613-L616 PolarHBondContact O-N 3.34Å; L614-L616 VanDerWaalsContact C-N 3.35Å; L616-T618 VanDerWaalsContact C-N 3.3Å; L616-T618 PolarHBondContact O-N 2.98Å; L616-Y619 WeakPolarHBondContact O-CB 3.48Å; L616-Y619 PolarHBondContact O-N 2.58Å; L616-C620 PolarHBondContact O-N 3.36Å; L616-C620 PolarHBondContact O-SG 3.44Å; L616-C620 VanDerWaalsContact O-SG 3.42Å |
| 617 | I | 95.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.3 | -47.6 | 176.4 | -66.9 | 166.2 | 0 | 0 | 0 | 109.7 | I613 L614 Y619 C620 E621 I628 L631 E708 T709 A712 | I613-I617 HydrophobicContact CG2-CD1 4.47Å; I613-I617 WeakPolarHBondContact O-CG1 3.32Å; I613-I617 PolarHBondContact O-N 2.93Å; L614-I617 HydrophobicContact CD2-CD1 4.11Å; L614-I617 PolarHBondContact O-N 3.44Å; I617-Y619 VanDerWaalsContact C-N 3.34Å; I617-Y619 PolarHBondContact O-N 3.07Å; I617-C620 PolarHBondContact O-N 2.93Å; I617-E621 WeakPolarHBondContact O-CB 3.29Å; I617-E621 PolarHBondContact O-N 3.3Å; I617-I628 HydrophobicContact CG2-CD1 4.08Å; I617-L631 HydrophobicContact CB-CD2 4.42Å; I617-L631 HydrophobicContact CG1-CD2 3.8Å; I617-E708 HydrophobicContact CD1-CB 4.37Å; I617-T709 WeakPolarHBondContact CD1-OG1 3.31Å; I617-A712 HydrophobicContact CG2-CB 3.66Å |
| 618 | T | 94.4 | Very high | 91.9 | Very high | 60 Ų | 60 | 34.3 Ų | 34.3 | 37% | 0.368 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 178.4 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | L614 N615 L616 E621 Q622 | L614-T618 WeakPolarHBondContact O-CB 3.01Å; L614-T618 PolarHBondContact O-N 3.39Å; L614-T618 PolarHBondContact O-OG1 3.48Å; N615-T618 PolarHBondContact O-N 2.94Å; L616-T618 VanDerWaalsContact C-N 3.3Å; L616-T618 PolarHBondContact O-N 2.98Å; T618-E621 WeakPolarHBondContact O-CB 3.28Å; T618-E621 PolarHBondContact O-N 3.46Å; T618-Q622 WeakPolarHBondContact O-CG 3.16Å; T618-Q622 PolarHBondContact O-N 3Å |
| 619 | Y | 93.2 | Very high | 92.1 | Very high | 60 Ų | 60 | 32.3 Ų | 32.3 | 24% | 0.235 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.1 | -47.3 | 175.7 | 176.9 | -94.1 | 0 | 0 | 0 | 111.9 | Q501 A505 N615 L616 I617 E621 Q622 L623 | Q501-Y619 HydrophobicContact CB-CD1 4.14Å; Q501-Y619 HydrophobicContact CB-CE1 3.72Å; Q501-Y619 HydrophobicContact CG-CD1 3.68Å; Q501-Y619 HydrophobicContact CG-CE1 3.82Å; Q501-Y619 HydrophobicContact CG-CG 4.1Å; A505-Y619 WeakPolarHBondContact CB-OH 3.16Å; N615-Y619 VanDerWaalsContact O-CB 3.3Å; N615-Y619 WeakPolarHBondContact O-CB 3.29Å; N615-Y619 PolarHBondContact O-N 2.71Å; L616-Y619 WeakPolarHBondContact O-CB 3.48Å; L616-Y619 PolarHBondContact O-N 2.58Å; I617-Y619 VanDerWaalsContact C-N 3.34Å; I617-Y619 PolarHBondContact O-N 3.07Å; Y619-E621 VanDerWaalsContact C-N 3.31Å; Y619-E621 PolarHBondContact O-N 3.18Å; Y619-Q622 PolarHBondContact O-N 3.23Å; Y619-L623 HydrophobicContact CE1-CD2 4.05Å; Y619-L623 WeakPolarHBondContact O-CB 3.29Å; Y619-L623 PolarHBondContact O-N 3.2Å |
| 620 | C | 91.4 | Very high | 92 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 175.2 | -69.9 | 0 | 0 | 0 | 0 | 111.3 | L616 I617 Q622 L623 Q624 L627 I628 | L616-C620 PolarHBondContact O-N 3.36Å; L616-C620 PolarHBondContact O-SG 3.44Å; L616-C620 VanDerWaalsContact O-SG 3.42Å; I617-C620 PolarHBondContact O-N 2.93Å; C620-Q622 VanDerWaalsContact C-N 3.31Å; C620-Q622 PolarHBondContact O-N 2.89Å; C620-L623 PolarHBondContact O-N 2.93Å; C620-Q624 CarbonylContact O-C 3.51Å; C620-Q624 VanDerWaalsContact O-C 3.3Å; C620-Q624 PolarHBondContact O-N 3.06Å; C620-Q624 VanDerWaalsContact O-N 3.07Å; C620-L627 HydrophobicContact CB-CB 4.13Å; C620-I628 HydrophobicContact CB-CD1 4.09Å |
| 621 | E | 88.6 | Confident | 92.1 | Very high | 14 Ų | 14 | 29.6 Ų | 29.6 | 7% | 0.065 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.2 | -38.9 | 178 | -167.2 | 174.5 | 159.4 | 0 | 0 | 112.4 | I617 T618 Y619 S625 I628 R715 R719 | I617-E621 WeakPolarHBondContact O-CB 3.29Å; I617-E621 PolarHBondContact O-N 3.3Å; T618-E621 WeakPolarHBondContact O-CB 3.28Å; T618-E621 PolarHBondContact O-N 3.46Å; Y619-E621 VanDerWaalsContact C-N 3.31Å; Y619-E621 PolarHBondContact O-N 3.18Å; E621-S625 PolarHBondContact O-OG 3.4Å; E621-I628 HydrophobicContact CB-CD1 4.11Å; E621-I628 HydrophobicContact CB-CG1 4.37Å; E621-R715 IonicContact OE1-NE 3.28Å; E621-R715 PolarHBondContact OE1-NE 3.25Å; E621-R715 IonicContact OE2-CZ 3.7Å; E621-R715 IonicContact OE2-NE 2.82Å; E621-R715 PolarHBondContact OE2-NE 2.88Å; E621-R715 IonicContact OE2-NH2 3.38Å; E621-R715 PolarHBondContact OE2-NH2 2.87Å; E621-R719 IonicContact OE1-CZ 2.71Å; E621-R719 IonicContact OE1-NE 3Å; E621-R719 IonicContact OE1-NH1 2.77Å; E621-R719 PolarHBondContact OE1-NH1 2.84Å; E621-R719 IonicContact OE1-NH2 3.53Å; E621-R719 PolarHBondContact OE1-NH2 2.95Å |
| 622 | Q | 88.2 | Confident | 92.1 | Very high | 155 Ų | 155 | 24.8 Ų | 24.8 | 72% | 0.724 | 12% | 0.124 | S | C | * | . | H | α-helix | trans | -78.9 | -35.3 | 177.9 | -71.9 | 175.7 | 1.5 | 0 | 0 | 113.6 | T618 Y619 C620 | T618-Q622 WeakPolarHBondContact O-CG 3.16Å; T618-Q622 PolarHBondContact O-N 3Å; Y619-Q622 PolarHBondContact O-N 3.23Å; C620-Q622 VanDerWaalsContact C-N 3.31Å; C620-Q622 PolarHBondContact O-N 2.89Å |
| 623 | L | 86.9 | Confident | 92.1 | Very high | 50 Ų | 50 | 24.6 Ų | 24.6 | 26% | 0.262 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -68 | -59.1 | 179.5 | 179.5 | 64.4 | 0 | 0 | 0 | 110.3 | V504 A505 V508 Y619 C620 L627 | V504-L623 HydrophobicContact CG1-CD2 3.93Å; A505-L623 HydrophobicContact CB-CD2 4.35Å; V508-L623 HydrophobicContact CB-CD2 4.45Å; V508-L623 HydrophobicContact CG1-CG 4.4Å; Y619-L623 HydrophobicContact CE1-CD2 4.05Å; Y619-L623 WeakPolarHBondContact O-CB 3.29Å; Y619-L623 PolarHBondContact O-N 3.2Å; C620-L623 PolarHBondContact O-N 2.93Å; L623-L627 HydrophobicContact CB-CD1 4.35Å; L623-L627 HydrophobicContact CD2-CD1 3.88Å; L623-L627 HydrophobicContact CG-CD1 4.22Å |
| 624 | Q | 85.8 | Confident | 92 | Very high | 36 Ų | 36 | 24.7 Ų | 24.7 | 17% | 0.168 | 12% | 0.124 | C | C | . | . | trans | -156.7 | 115.4 | 171.3 | -74.3 | -163.8 | -34.3 | 0 | 0 | 108.6 | V508 C620 I626 L627 | V508-Q624 HydrophobicContact CG1-CB 4.39Å; V508-Q624 HydrophobicContact CG1-CG 3.66Å; C620-Q624 CarbonylContact O-C 3.51Å; C620-Q624 VanDerWaalsContact O-C 3.3Å; C620-Q624 PolarHBondContact O-N 3.06Å; C620-Q624 VanDerWaalsContact O-N 3.07Å; Q624-I626 HydrophobicContact CB-CG2 4.2Å; Q624-I626 PolarHBondContact O-N 3.15Å; Q624-L627 HydrophobicContact CB-CD1 4.06Å; Q624-L627 HydrophobicContact CB-CG 4.14Å; Q624-L627 WeakPolarHBondContact O-CB 3.45Å; Q624-L627 WeakPolarHBondContact O-CG 3.49Å; Q624-L627 PolarHBondContact O-N 3.42Å | ||
| 625 | S | 86.3 | Confident | 92 | Very high | 12 Ų | 12 | 23.1 Ų | 23.1 | 8% | 0.084 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -59.8 | -20.6 | -171.3 | -57 | 0 | 0 | 0 | 0 | 114.2 | E621 L627 I628 R719 | E621-S625 PolarHBondContact O-OG 3.4Å; S625-L627 PolarHBondContact O-N 3.35Å; S625-I628 WeakPolarHBondContact O-CB 3.28Å; S625-I628 WeakPolarHBondContact O-CG1 3.4Å; S625-I628 PolarHBondContact O-N 3.22Å; S625-R719 PolarHBondContact OG-NH1 2.98Å |
| 626 | I | 86.6 | Confident | 92 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.015 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -63.8 | -25.1 | 175 | -160.8 | 65 | 0 | 0 | 0 | 113.7 | M530 L535 Q624 I628 M629 P630 F747 C750 | M530-I626 HydrophobicContact CE-CD1 3.92Å; M530-I626 HydrophobicContact SD-CD1 4.11Å; L535-I626 HydrophobicContact CD2-CG2 3.71Å; Q624-I626 HydrophobicContact CB-CG2 4.2Å; Q624-I626 PolarHBondContact O-N 3.15Å; I626-I628 PolarHBondContact O-N 2.98Å; I626-I628 VanDerWaalsContact O-N 3.11Å; I626-M629 HydrophobicContact CD1-CE 3.23Å; I626-M629 HydrophobicContact CD1-SD 3.97Å; I626-M629 HydrophobicContact CG1-CE 3.74Å; I626-M629 PolarHBondContact O-N 3.13Å; I626-M629 VanDerWaalsContact O-N 3.12Å; I626-P630 WeakPolarHBondContact O-CD 3.32Å; I626-F747 HydrophobicContact CD1-CD2 4.24Å; I626-C750 HydrophobicContact CD1-CB 4.41Å; I626-C750 HydrophobicContact CG1-CB 4.49Å |
| 627 | L | 90.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -64.3 | -15.4 | 178.9 | -63.9 | 170.7 | 0 | 0 | 0 | 113 | V504 V508 V543 C620 L623 Q624 S625 M629 P630 L631 | V504-L627 HydrophobicContact CG1-CD1 3.76Å; V504-L627 HydrophobicContact CG1-CD2 4.31Å; V508-L627 HydrophobicContact CG2-CD1 4.27Å; V508-L627 HydrophobicContact CG2-CD2 3.97Å; V543-L627 HydrophobicContact CG1-CD2 4.02Å; V543-L627 HydrophobicContact CG2-CD2 4.06Å; C620-L627 HydrophobicContact CB-CB 4.13Å; L623-L627 HydrophobicContact CB-CD1 4.35Å; L623-L627 HydrophobicContact CD2-CD1 3.88Å; L623-L627 HydrophobicContact CG-CD1 4.22Å; Q624-L627 HydrophobicContact CB-CD1 4.06Å; Q624-L627 HydrophobicContact CB-CG 4.14Å; Q624-L627 WeakPolarHBondContact O-CB 3.45Å; Q624-L627 WeakPolarHBondContact O-CG 3.49Å; Q624-L627 PolarHBondContact O-N 3.42Å; S625-L627 PolarHBondContact O-N 3.35Å; L627-M629 VanDerWaalsContact C-N 3.25Å; L627-M629 PolarHBondContact O-N 3.3Å; L627-P630 WeakPolarHBondContact O-CD 3.49Å; L627-P630 WeakPolarHBondContact O-CG 3.42Å; L627-L631 WeakPolarHBondContact O-CB 3.27Å; L627-L631 PolarHBondContact O-N 3.37Å |
| 628 | I | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.9 | -28.1 | 175.3 | -60.9 | -57.5 | 0 | 0 | 0 | 112 | I617 C620 E621 S625 I626 L631 L632 T709 A712 F713 | I617-I628 HydrophobicContact CG2-CD1 4.08Å; C620-I628 HydrophobicContact CB-CD1 4.09Å; E621-I628 HydrophobicContact CB-CD1 4.11Å; E621-I628 HydrophobicContact CB-CG1 4.37Å; S625-I628 WeakPolarHBondContact O-CB 3.28Å; S625-I628 WeakPolarHBondContact O-CG1 3.4Å; S625-I628 PolarHBondContact O-N 3.22Å; I626-I628 PolarHBondContact O-N 2.98Å; I626-I628 VanDerWaalsContact O-N 3.11Å; I628-L631 HydrophobicContact CD1-CD2 4.45Å; I628-L632 VanDerWaalsContact O-CB 3.31Å; I628-L632 WeakPolarHBondContact O-CB 3.31Å; I628-L632 PolarHBondContact O-N 3.45Å; I628-T709 HydrophobicContact CG2-CG2 4.41Å; I628-A712 HydrophobicContact CD1-CB 4.11Å; I628-A712 HydrophobicContact CG1-CB 4.36Å; I628-A712 HydrophobicContact CG2-CB 3.75Å; I628-F713 HydrophobicContact CG2-CB 4.03Å |
| 629 | M | 93.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.2 | -59.4 | 177.7 | -64.3 | -166.5 | -47.2 | 0 | 0 | 112.4 | I626 L627 L631 L632 I633 F713 L716 F747 C750 V754 F755 | I626-M629 HydrophobicContact CD1-CE 3.23Å; I626-M629 HydrophobicContact CD1-SD 3.97Å; I626-M629 HydrophobicContact CG1-CE 3.74Å; I626-M629 PolarHBondContact O-N 3.13Å; I626-M629 VanDerWaalsContact O-N 3.12Å; L627-M629 VanDerWaalsContact C-N 3.25Å; L627-M629 PolarHBondContact O-N 3.3Å; M629-L631 VanDerWaalsContact C-N 3.26Å; M629-L631 PolarHBondContact O-N 3.12Å; M629-L632 WeakPolarHBondContact O-CB 3.43Å; M629-L632 PolarHBondContact O-N 2.82Å; M629-I633 WeakPolarHBondContact O-CG1 3.47Å; M629-I633 PolarHBondContact O-N 3.28Å; M629-I633 VanDerWaalsContact O-N 3.13Å; M629-F713 HydrophobicContact CG-CD2 4.13Å; M629-F713 HydrophobicContact CG-CE2 4Å; M629-F713 HydrophobicContact SD-CE2 4.36Å; M629-L716 HydrophobicContact CG-CD2 4.24Å; M629-F747 HydrophobicContact SD-CD2 4.35Å; M629-F747 HydrophobicContact SD-CE2 3.79Å; M629-F747 HydrophobicContact SD-CZ 4.41Å; M629-C750 HydrophobicContact CE-CB 3.91Å; M629-V754 HydrophobicContact CB-CG1 3.98Å; M629-F755 HydrophobicContact CB-CE2 3.89Å; M629-F755 HydrophobicContact CG-CE2 4Å; M629-F755 HydrophobicContact SD-CE2 4.05Å |
| 630 | P | 92.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.3 | -36.3 | 178.2 | 22.8 | -33.5 | 0 | 0 | 0 | 111.9 | L540 V543 E544 F547 I626 L627 L632 I633 T634 V754 | L540-P630 HydrophobicContact CD2-CG 3.96Å; V543-P630 HydrophobicContact CG1-CB 4.32Å; V543-P630 HydrophobicContact CG1-CG 3.9Å; E544-P630 HydrophobicContact CG-CB 3.38Å; F547-P630 HydrophobicContact CE2-CB 4.45Å; F547-P630 HydrophobicContact CE2-CG 4.27Å; I626-P630 WeakPolarHBondContact O-CD 3.32Å; L627-P630 WeakPolarHBondContact O-CD 3.49Å; L627-P630 WeakPolarHBondContact O-CG 3.42Å; P630-L632 PolarHBondContact O-N 3.41Å; P630-I633 PolarHBondContact O-N 3.08Å; P630-T634 PolarHBondContact O-N 3.3Å; P630-T634 PolarHBondContact O-OG1 2.95Å; P630-V754 HydrophobicContact CB-CG1 4.4Å |
| 631 | L | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 176 | -173.2 | 58.7 | 0 | 0 | 0 | 112.4 | F547 F551 I617 L627 I628 M629 I633 I635 T709 | F547-L631 HydrophobicContact CD1-CD1 3.92Å; F547-L631 HydrophobicContact CD2-CB 4.09Å; F547-L631 HydrophobicContact CD2-CD1 3.97Å; F547-L631 HydrophobicContact CE1-CD1 4.05Å; F547-L631 HydrophobicContact CE2-CB 3.7Å; F547-L631 HydrophobicContact CE2-CD1 4.07Å; F547-L631 HydrophobicContact CE2-CG 4.42Å; F547-L631 HydrophobicContact CG-CD1 3.9Å; F547-L631 HydrophobicContact CZ-CB 4.17Å; F547-L631 HydrophobicContact CZ-CD1 4.12Å; F551-L631 HydrophobicContact CE2-CD1 3.9Å; F551-L631 HydrophobicContact CZ-CD1 4.43Å; I617-L631 HydrophobicContact CB-CD2 4.42Å; I617-L631 HydrophobicContact CG1-CD2 3.8Å; L627-L631 WeakPolarHBondContact O-CB 3.27Å; L627-L631 PolarHBondContact O-N 3.37Å; I628-L631 HydrophobicContact CD1-CD2 4.45Å; M629-L631 VanDerWaalsContact C-N 3.26Å; M629-L631 PolarHBondContact O-N 3.12Å; L631-I633 VanDerWaalsContact C-N 3.34Å; L631-I633 PolarHBondContact O-N 3.28Å; L631-I635 HydrophobicContact CD1-CD1 3.77Å; L631-I635 HydrophobicContact CD1-CG1 4.26Å; L631-I635 HydrophobicContact CG-CD1 3.85Å; L631-I635 WeakPolarHBondContact O-CB 3.39Å; L631-I635 WeakPolarHBondContact O-CG1 3.2Å; L631-I635 PolarHBondContact O-N 2.88Å; L631-T709 HydrophobicContact CB-CG2 4.32Å; L631-T709 HydrophobicContact CD2-CG2 4.31Å; L631-T709 HydrophobicContact CG-CG2 3.99Å |
| 632 | L | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.9 | -43 | 176.4 | 177.7 | 60.6 | 0 | 0 | 0 | 111.4 | I628 M629 P630 S636 T709 K710 F713 F755 | I628-L632 VanDerWaalsContact O-CB 3.31Å; I628-L632 WeakPolarHBondContact O-CB 3.31Å; I628-L632 PolarHBondContact O-N 3.45Å; M629-L632 WeakPolarHBondContact O-CB 3.43Å; M629-L632 PolarHBondContact O-N 2.82Å; P630-L632 PolarHBondContact O-N 3.41Å; L632-S636 VanDerWaalsContact O-CB 3.24Å; L632-S636 WeakPolarHBondContact O-CB 3.4Å; L632-S636 PolarHBondContact O-N 3.46Å; L632-S636 PolarHBondContact O-OG 3.48Å; L632-T709 HydrophobicContact CB-CG2 3.84Å; L632-T709 HydrophobicContact CD1-CG2 4.18Å; L632-K710 HydrophobicContact CD1-CB 4.24Å; L632-F713 HydrophobicContact CD2-CB 3.88Å; L632-F713 HydrophobicContact CD2-CD1 4.32Å; L632-F713 HydrophobicContact CD2-CD2 4.46Å; L632-F713 HydrophobicContact CD2-CG 3.97Å; L632-F755 HydrophobicContact CD2-CZ 4.29Å |
| 633 | I | 94.5 | Very high | 91.6 | Very high | 16 Ų | 16 | 23.7 Ų | 23.7 | 8% | 0.082 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.9 | -48.4 | 179.9 | -60.3 | -41.7 | 0 | 0 | 0 | 110.9 | M629 P630 L631 I635 S636 R637 V754 F755 S758 R760 | M629-I633 WeakPolarHBondContact O-CG1 3.47Å; M629-I633 PolarHBondContact O-N 3.28Å; M629-I633 VanDerWaalsContact O-N 3.13Å; P630-I633 PolarHBondContact O-N 3.08Å; L631-I633 VanDerWaalsContact C-N 3.34Å; L631-I633 PolarHBondContact O-N 3.28Å; I633-I635 PolarHBondContact O-N 3.41Å; I633-S636 PolarHBondContact O-N 3.46Å; I633-R637 VanDerWaalsContact O-CB 3.23Å; I633-R637 WeakPolarHBondContact O-CB 3.43Å; I633-R637 PolarHBondContact O-N 3.42Å; I633-V754 HydrophobicContact CB-CG1 4.45Å; I633-V754 HydrophobicContact CG1-CG1 3.59Å; I633-F755 HydrophobicContact CD1-CD1 3.56Å; I633-F755 HydrophobicContact CD1-CD2 4.31Å; I633-F755 HydrophobicContact CD1-CE1 3.49Å; I633-F755 VanDerWaalsContact CD1-CE1 3.49Å; I633-F755 HydrophobicContact CD1-CE2 4.27Å; I633-F755 HydrophobicContact CD1-CG 3.98Å; I633-F755 HydrophobicContact CD1-CZ 3.87Å; I633-F755 HydrophobicContact CG1-CD2 4.49Å; I633-F755 HydrophobicContact CG1-CG 4.5Å; I633-S758 VanDerWaalsContact CD1-OG 3.26Å; I633-S758 WeakPolarHBondContact CD1-OG 3.46Å; I633-R760 HydrophobicContact CD1-CB 4.15Å; I633-R760 HydrophobicContact CD1-CG 4.38Å |
| 634 | T | 94.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.1 | -52.7 | 176.9 | -69.6 | 0 | 0 | 0 | 0 | 111.3 | F547 D548 F551 P630 S636 R637 I638 | F547-T634 HydrophobicContact CB-CG2 3.81Å; D548-T634 WeakPolarHBondContact OD1-CG2 3.42Å; D548-T634 PolarHBondContact OD1-OG1 3.04Å; F551-T634 HydrophobicContact CD2-CG2 3.9Å; F551-T634 HydrophobicContact CE2-CG2 4.46Å; P630-T634 PolarHBondContact O-N 3.3Å; P630-T634 PolarHBondContact O-OG1 2.95Å; T634-S636 PolarHBondContact O-N 3.32Å; T634-R637 PolarHBondContact O-N 3.26Å; T634-I638 HydrophobicContact CG2-CD1 3.67Å; T634-I638 WeakPolarHBondContact O-CB 3.25Å; T634-I638 WeakPolarHBondContact O-CG1 3.37Å; T634-I638 PolarHBondContact O-N 3.4Å |
| 635 | I | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64 | -43.7 | -178 | -67.4 | 169.2 | 0 | 0 | 0 | 111.2 | F551 L631 I633 R637 I638 T639 L705 T706 T709 | F551-I635 HydrophobicContact CD2-CG1 4.35Å; F551-I635 HydrophobicContact CE1-CD1 4.38Å; F551-I635 HydrophobicContact CE1-CG1 4.01Å; F551-I635 HydrophobicContact CE2-CD1 3.99Å; F551-I635 HydrophobicContact CE2-CG1 3.56Å; F551-I635 HydrophobicContact CZ-CD1 3.54Å; F551-I635 HydrophobicContact CZ-CG1 3.37Å; L631-I635 HydrophobicContact CD1-CD1 3.77Å; L631-I635 HydrophobicContact CD1-CG1 4.26Å; L631-I635 HydrophobicContact CG-CD1 3.85Å; L631-I635 WeakPolarHBondContact O-CB 3.39Å; L631-I635 WeakPolarHBondContact O-CG1 3.2Å; L631-I635 PolarHBondContact O-N 2.88Å; I633-I635 PolarHBondContact O-N 3.41Å; I635-R637 PolarHBondContact O-N 3.02Å; I635-I638 PolarHBondContact O-N 3.35Å; I635-T639 WeakPolarHBondContact O-CB 3.46Å; I635-T639 PolarHBondContact O-N 3.49Å; I635-T639 PolarHBondContact O-OG1 3.11Å; I635-L705 HydrophobicContact CG2-CB 4.03Å; I635-T706 WeakPolarHBondContact CG2-OG1 3.36Å; I635-T709 HydrophobicContact CD1-CG2 4.22Å; I635-T709 WeakPolarHBondContact CD1-OG1 3.49Å |
| 636 | S | 94.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.014 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.5 | -44.7 | -179.7 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | L632 I633 T634 I638 T639 E640 R760 | L632-S636 VanDerWaalsContact O-CB 3.24Å; L632-S636 WeakPolarHBondContact O-CB 3.4Å; L632-S636 PolarHBondContact O-N 3.46Å; L632-S636 PolarHBondContact O-OG 3.48Å; I633-S636 PolarHBondContact O-N 3.46Å; T634-S636 PolarHBondContact O-N 3.32Å; S636-I638 PolarHBondContact O-N 3.03Å; S636-T639 WeakPolarHBondContact O-CB 3.44Å; S636-T639 PolarHBondContact O-N 2.94Å; S636-E640 WeakPolarHBondContact O-CG 3.46Å; S636-E640 PolarHBondContact O-N 2.9Å; S636-R760 WeakPolarHBondContact OG-CD 3.32Å; S636-R760 PolarHBondContact OG-NE 3.43Å; S636-R760 VanDerWaalsContact OG-NE 3.11Å |
| 637 | R | 94.1 | Very high | 89.9 | Confident | 94 Ų | 94 | 29.8 Ų | 29.8 | 36% | 0.355 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.5 | -44.1 | 178.1 | -176.6 | -178.3 | 62.1 | 70.7 | -1.8 | 111.8 | D548 I633 T634 I635 T639 E640 N641 | D548-R637 IonicContact OD1-CZ 3.93Å; D548-R637 IonicContact OD1-NH2 2.67Å; D548-R637 PolarHBondContact OD1-NH2 2.93Å; D548-R637 IonicContact OD2-NH2 3.82Å; D548-R637 PolarHBondContact OD2-NH2 3.47Å; I633-R637 VanDerWaalsContact O-CB 3.23Å; I633-R637 WeakPolarHBondContact O-CB 3.43Å; I633-R637 PolarHBondContact O-N 3.42Å; T634-R637 PolarHBondContact O-N 3.26Å; I635-R637 PolarHBondContact O-N 3.02Å; R637-T639 VanDerWaalsContact C-N 3.34Å; R637-E640 PolarHBondContact O-N 3.02Å; R637-N641 WeakPolarHBondContact O-CB 3.48Å; R637-N641 PolarHBondContact O-N 3.16Å; R637-N641 PolarHBondContact O-OD1 2.93Å |
| 638 | I | 93.7 | Very high | 88.8 | Confident | 17 Ų | 17 | 33.5 Ų | 33.5 | 9% | 0.087 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.3 | -41.3 | 177.4 | -67.6 | 172.8 | 0 | 0 | 0 | 110.5 | F551 I555 T634 I635 S636 N641 E642 L702 | F551-I638 HydrophobicContact CB-CD1 3.41Å; F551-I638 VanDerWaalsContact CB-CD1 3.41Å; F551-I638 HydrophobicContact CD2-CD1 4.32Å; F551-I638 HydrophobicContact CG-CD1 3.95Å; I555-I638 HydrophobicContact CD1-CG2 3.32Å; T634-I638 HydrophobicContact CG2-CD1 3.67Å; T634-I638 WeakPolarHBondContact O-CB 3.25Å; T634-I638 WeakPolarHBondContact O-CG1 3.37Å; T634-I638 PolarHBondContact O-N 3.4Å; I635-I638 PolarHBondContact O-N 3.35Å; S636-I638 PolarHBondContact O-N 3.03Å; I638-N641 PolarHBondContact O-N 2.96Å; I638-E642 WeakPolarHBondContact O-CG 3.33Å; I638-E642 PolarHBondContact O-N 2.92Å; I638-L702 HydrophobicContact CG2-CD1 3.93Å; I638-L702 HydrophobicContact CG2-CD2 4.14Å |
| 639 | T | 93.4 | Very high | 87 | Confident | 8 Ų | 8 | 37.5 Ų | 37.5 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.4 | -45.5 | 177.2 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | I635 S636 R637 N641 E642 I643 L702 T706 | I635-T639 WeakPolarHBondContact O-CB 3.46Å; I635-T639 PolarHBondContact O-N 3.49Å; I635-T639 PolarHBondContact O-OG1 3.11Å; S636-T639 WeakPolarHBondContact O-CB 3.44Å; S636-T639 PolarHBondContact O-N 2.94Å; R637-T639 VanDerWaalsContact C-N 3.34Å; T639-N641 PolarHBondContact O-N 3.33Å; T639-E642 PolarHBondContact O-N 3.2Å; T639-I643 HydrophobicContact CG2-CD1 3.79Å; T639-I643 HydrophobicContact CG2-CG1 4.45Å; T639-I643 VanDerWaalsContact O-CG1 3.3Å; T639-I643 WeakPolarHBondContact O-CG1 3.38Å; T639-I643 PolarHBondContact O-N 2.89Å; T639-L702 HydrophobicContact CG2-CB 4.09Å; T639-L702 WeakPolarHBondContact OG1-CB 3.18Å; T639-L702 PolarHBondContact OG1-O 2.99Å; T639-T706 PolarHBondContact OG1-OG1 2.84Å |
| 640 | E | 91.6 | Very high | 84.8 | Confident | 78 Ų | 78 | 41.2 Ų | 41.2 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 176.7 | -74.6 | 167.6 | -166.3 | 0 | 0 | 112 | S636 R637 I643 T644 S759 | S636-E640 WeakPolarHBondContact O-CG 3.46Å; S636-E640 PolarHBondContact O-N 2.9Å; R637-E640 PolarHBondContact O-N 3.02Å; E640-I643 PolarHBondContact O-N 2.88Å; E640-T644 WeakPolarHBondContact O-CB 3.12Å; E640-T644 PolarHBondContact O-N 3.24Å; E640-T644 PolarHBondContact O-OG1 2.99Å; E640-S759 VanDerWaalsContact CD-OG 3.24Å; E640-S759 VanDerWaalsContact OE1-CB 3.32Å; E640-S759 WeakPolarHBondContact OE1-CB 3.37Å; E640-S759 PolarHBondContact OE1-OG 3.49Å; E640-S759 PolarHBondContact OE2-OG 3.36Å |
| 641 | N | 90.8 | Very high | 81.8 | Confident | 93 Ų | 93 | 46.1 Ų | 46.1 | 50% | 0.497 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 175.7 | -72.9 | -6.1 | 0 | 0 | 0 | 111.7 | R637 I638 T639 T644 A645 | R637-N641 WeakPolarHBondContact O-CB 3.48Å; R637-N641 PolarHBondContact O-N 3.16Å; R637-N641 PolarHBondContact O-OD1 2.93Å; I638-N641 PolarHBondContact O-N 2.96Å; T639-N641 PolarHBondContact O-N 3.33Å; N641-T644 PolarHBondContact O-N 3.38Å; N641-A645 WeakPolarHBondContact O-CB 3.47Å; N641-A645 PolarHBondContact O-N 3.31Å |
| 642 | E | 89.9 | Confident | 78.7 | Confident | 32 Ų | 32 | 50.9 Ų | 50.9 | 15% | 0.15 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.9 | -45.2 | 177 | -73.8 | -58.1 | 133.1 | 0 | 0 | 112.3 | R559 I638 T639 T644 A645 T646 I698 L702 | R559-E642 IonicContact CZ-OE1 3.6Å; R559-E642 IonicContact NH2-OE1 3.59Å; R559-E642 PolarHBondContact NH2-OE1 3.41Å; R559-E642 IonicContact NH2-OE2 3.88Å; R559-E642 PolarHBondContact NH2-OE2 3.45Å; I638-E642 WeakPolarHBondContact O-CG 3.33Å; I638-E642 PolarHBondContact O-N 2.92Å; T639-E642 PolarHBondContact O-N 3.2Å; E642-T644 VanDerWaalsContact C-N 3.3Å; E642-T644 PolarHBondContact O-N 2.93Å; E642-A645 PolarHBondContact O-N 2.96Å; E642-T646 WeakPolarHBondContact O-CG2 3.18Å; E642-T646 PolarHBondContact O-N 3.49Å; E642-T646 PolarHBondContact O-OG1 3.47Å; E642-I698 HydrophobicContact CG-CG2 4.07Å; E642-L702 HydrophobicContact CB-CD1 3.99Å; E642-L702 HydrophobicContact CG-CD1 3.42Å; E642-L702 VanDerWaalsContact CG-CD1 3.42Å |
| 643 | I | 85.8 | Confident | 75.8 | Confident | 55 Ų | 55 | 56.4 Ų | 56.4 | 28% | 0.282 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 178.7 | -67.6 | 169.9 | 0 | 0 | 0 | 110.8 | T639 E640 A645 T646 L647 M695 | T639-I643 HydrophobicContact CG2-CD1 3.79Å; T639-I643 HydrophobicContact CG2-CG1 4.45Å; T639-I643 VanDerWaalsContact O-CG1 3.3Å; T639-I643 WeakPolarHBondContact O-CG1 3.38Å; T639-I643 PolarHBondContact O-N 2.89Å; E640-I643 PolarHBondContact O-N 2.88Å; I643-A645 VanDerWaalsContact C-N 3.33Å; I643-A645 PolarHBondContact O-N 2.96Å; I643-T646 WeakPolarHBondContact CA-OG1 3.21Å; I643-T646 PolarHBondContact O-N 3.19Å; I643-T646 PolarHBondContact O-OG1 2.82Å; I643-L647 HydrophobicContact CG2-CD1 3.92Å; I643-L647 WeakPolarHBondContact O-CB 3.47Å; I643-L647 WeakPolarHBondContact O-CD1 3.29Å; I643-L647 VanDerWaalsContact O-CG 3.29Å; I643-L647 WeakPolarHBondContact O-CG 3.33Å; I643-L647 PolarHBondContact O-N 2.93Å; I643-M695 HydrophobicContact CD1-CE 4.35Å; I643-M695 HydrophobicContact CG1-CE 4.16Å |
| 644 | T | 85.3 | Confident | 72.8 | Confident | 91 Ų | 91 | 61 Ų | 61 | 56% | 0.558 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.3 | -37.9 | 177 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | E640 N641 E642 L647 S648 | E640-T644 WeakPolarHBondContact O-CB 3.12Å; E640-T644 PolarHBondContact O-N 3.24Å; E640-T644 PolarHBondContact O-OG1 2.99Å; N641-T644 PolarHBondContact O-N 3.38Å; E642-T644 VanDerWaalsContact C-N 3.3Å; E642-T644 PolarHBondContact O-N 2.93Å; T644-L647 PolarHBondContact O-N 3.06Å; T644-S648 PolarHBondContact O-N 3.17Å; T644-S648 PolarHBondContact O-OG 3.48Å |
| 645 | A | 81.4 | Confident | 69.6 | Low | 46 Ų | 46 | 66.2 Ų | 66.2 | 38% | 0.38 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.2 | -35.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N641 E642 I643 S648 S649 | N641-A645 WeakPolarHBondContact O-CB 3.47Å; N641-A645 PolarHBondContact O-N 3.31Å; E642-A645 PolarHBondContact O-N 2.96Å; I643-A645 VanDerWaalsContact C-N 3.33Å; I643-A645 PolarHBondContact O-N 2.96Å; A645-S648 PolarHBondContact O-OG 3.37Å; A645-S648 VanDerWaalsContact O-OG 3.09Å; A645-S649 PolarHBondContact O-N 3.48Å; A645-S649 PolarHBondContact O-OG 3.2Å |
| 646 | T | 72.2 | Confident | 66.7 | Low | 18 Ų | 18 | 71.9 Ų | 71.9 | 11% | 0.11 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -70.6 | -36.8 | 174.7 | 55.5 | 0 | 0 | 0 | 0 | 111.8 | E642 I643 S649 S650 T696 A699 | E642-T646 WeakPolarHBondContact O-CG2 3.18Å; E642-T646 PolarHBondContact O-N 3.49Å; E642-T646 PolarHBondContact O-OG1 3.47Å; I643-T646 WeakPolarHBondContact CA-OG1 3.21Å; I643-T646 PolarHBondContact O-N 3.19Å; I643-T646 PolarHBondContact O-OG1 2.82Å; T646-S649 PolarHBondContact O-OG 3.49Å; T646-S650 PolarHBondContact O-N 3.36Å; T646-T696 HydrophobicContact CG2-CG2 3.78Å; T646-A699 HydrophobicContact CG2-CB 4.46Å |
| 647 | L | 70.7 | Confident | 63.6 | Low | 74 Ų | 74 | 77 Ų | 77 | 39% | 0.387 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 174.8 | -74.6 | 164.6 | 0 | 0 | 0 | 112.4 | I643 T644 S649 S650 T651 I693 | I643-L647 HydrophobicContact CG2-CD1 3.92Å; I643-L647 WeakPolarHBondContact O-CB 3.47Å; I643-L647 WeakPolarHBondContact O-CD1 3.29Å; I643-L647 VanDerWaalsContact O-CG 3.29Å; I643-L647 WeakPolarHBondContact O-CG 3.33Å; I643-L647 PolarHBondContact O-N 2.93Å; T644-L647 PolarHBondContact O-N 3.06Å; L647-S649 PolarHBondContact O-N 2.9Å; L647-S650 PolarHBondContact O-N 2.78Å; L647-S650 PolarHBondContact O-OG 3.43Å; L647-T651 PolarHBondContact O-N 3.45Å; L647-T651 PolarHBondContact O-OG1 2.71Å; L647-I693 HydrophobicContact CD2-CD1 3.56Å; L647-I693 HydrophobicContact CD2-CG1 4.43Å |
| 648 | S | 66.3 | Low | 60.3 | Low | 77 Ų | 77 | 77.9 Ų | 77.9 | 54% | 0.538 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.3 | -32.7 | -179.2 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | T644 A645 T651 | T644-S648 PolarHBondContact O-N 3.17Å; T644-S648 PolarHBondContact O-OG 3.48Å; A645-S648 PolarHBondContact O-OG 3.37Å; A645-S648 VanDerWaalsContact O-OG 3.09Å; S648-T651 PolarHBondContact O-N 3.27Å; S648-T651 PolarHBondContact O-OG1 3.07Å |
| 649 | S | 57.5 | Low | 57.4 | Low | 84 Ų | 84 | 83.1 Ų | 83.1 | 59% | 0.587 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -72 | -29.4 | 175 | 50.5 | 0 | 0 | 0 | 0 | 113.2 | A645 T646 L647 T651 | A645-S649 PolarHBondContact O-N 3.48Å; A645-S649 PolarHBondContact O-OG 3.2Å; T646-S649 PolarHBondContact O-OG 3.49Å; L647-S649 PolarHBondContact O-N 2.9Å; S649-T651 VanDerWaalsContact C-N 3.32Å |
| 650 | S | 45.3 | Very low | 54.2 | Low | 78 Ų | 78 | 91.3 Ų | 91.3 | 55% | 0.545 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -74.4 | -20.9 | 175.3 | 70.1 | 0 | 0 | 0 | 0 | 113.8 | T646 L647 | T646-S650 PolarHBondContact O-N 3.36Å; L647-S650 PolarHBondContact O-N 2.78Å; L647-S650 PolarHBondContact O-OG 3.43Å |
| 651 | T | 30.9 | Very low | 51.4 | Low | 104 Ų | 104 | 96.7 Ų | 96.7 | 64% | 0.638 | 60% | 0.599 | S | S | * | * | trans | -104 | 63.4 | -179.8 | 39 | 0 | 0 | 0 | 0 | 110.9 | L647 S648 S649 | L647-T651 PolarHBondContact O-N 3.45Å; L647-T651 PolarHBondContact O-OG1 2.71Å; S648-T651 PolarHBondContact O-N 3.27Å; S648-T651 PolarHBondContact O-OG1 3.07Å; S649-T651 VanDerWaalsContact C-N 3.32Å | ||
| 652 | S | 30 | Very low | 48.2 | Very low | 99 Ų | 99 | 101.2 Ų | 101.2 | 69% | 0.692 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 124 | 164.9 | 25.3 | 0 | 0 | 0 | 0 | 109 | S654 | S652-S654 PolarHBondContact O-N 3.46Š|
| 653 | P | 34.4 | Very low | 45.2 | Very low | 117 Ų | 117 | 108.1 Ų | 108.1 | 76% | 0.76 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 127 | -170.8 | 20.9 | -19.3 | 0 | 0 | 0 | 110.2 | S655 | P653-S655 PolarHBondContact O-N 3.29Å; P653-S655 VanDerWaalsContact O-N 3.11Å |
| 654 | S | 30.6 | Very low | 42.3 | Very low | 113 Ų | 113 | 111.3 Ų | 111.3 | 79% | 0.79 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 117.8 | 164.4 | 50.6 | 0 | 0 | 0 | 0 | 109.6 | S652 | S652-S654 PolarHBondContact O-N 3.46Š|
| 655 | S | 27.3 | Very low | 39.4 | Very low | 111 Ų | 111 | 111.2 Ų | 111.2 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | trans | -40.2 | 119.1 | -177.7 | -42.6 | 0 | 0 | 0 | 0 | 112.2 | P653 S657 | P653-S655 PolarHBondContact O-N 3.29Å; P653-S655 VanDerWaalsContact O-N 3.11Å; S655-S657 PolarHBondContact O-N 3.16Å | ||
| 656 | P | 34.4 | Very low | 36.8 | Very low | 118 Ų | 118 | 115.8 Ų | 115.8 | 77% | 0.766 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 118.4 | 174.6 | 27.6 | -29.4 | 0 | 0 | 0 | 108.6 | S658 | P656-S658 PolarHBondContact O-N 3.44Š|
| 657 | S | 30.3 | Very low | 34.6 | Very low | 109 Ų | 109 | 121 Ų | 121 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 119.4 | 173.1 | 48 | 0 | 0 | 0 | 0 | 111.1 | S655 P659 | S655-S657 PolarHBondContact O-N 3.16Å; S657-P659 WeakPolarHBondContact O-CD 3.43Å |
| 658 | S | 25.5 | Very low | 32.4 | Very low | 113 Ų | 113 | 125.9 Ų | 125.9 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 121 | -178.3 | -43.4 | 0 | 0 | 0 | 0 | 113.5 | P656 | P656-S658 PolarHBondContact O-N 3.44Š|
| 659 | P | 32.8 | Very low | 30.4 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -91.2 | 105 | 158.8 | 2.5 | 17.9 | 0 | 0 | 0 | 108.1 | S657 Q661 | S657-P659 WeakPolarHBondContact O-CD 3.43Å; P659-Q661 PolarHBondContact O-N 2.94Å | ||
| 660 | Q | 25.9 | Very low | 29.1 | Very low | 181 Ų | 181 | 132 Ų | 132 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -59.7 | 119.3 | 159.6 | -80 | 173.3 | -24 | 0 | 0 | 108.5 | ||||
| 661 | Q | 31.1 | Very low | 28.1 | Very low | 191 Ų | 191 | 132.4 Ų | 132.4 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | trans | -175.7 | 108.6 | 130.8 | -100.2 | 163.2 | 23.9 | 0 | 0 | 110 | P659 | P659-Q661 PolarHBondContact O-N 2.94Š| ||
| 662 | Q | 24 | Very low | 27.8 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -63.6 | 128.8 | 159.7 | -78.9 | 161 | -36.4 | 0 | 0 | 109.2 | ||||
| 663 | Q | 27.6 | Very low | 27.5 | Very low | 177 Ų | 177 | 134.1 Ų | 134.1 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -166.3 | 109.7 | 137.9 | -107.5 | 161.6 | 41.5 | 0 | 0 | 112.2 | ||||
| 664 | T | 24.1 | Very low | 27 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 50.1 | 108.3 | 130.4 | 55.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 665 | A | 25.3 | Very low | 26.7 | Very low | 89 Ų | 89 | 135.2 Ų | 135.2 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | 50.2 | 118.3 | 124.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 666 | T | 27.6 | Very low | 26.6 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 87% | 0.871 | 79% | 0.786 | S | S | * | * | -174.7 | 134.6 | 111.2 | 23.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 667 | T | 24.6 | Very low | 26.1 | Very low | 127 Ų | 127 | 136 Ų | 136 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -39.6 | 143.5 | 162.4 | 37.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 668 | M | 24.9 | Very low | 25.9 | Very low | 177 Ų | 177 | 133.7 Ų | 133.7 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | 174.3 | 143.3 | 120.4 | -89.3 | -89.6 | -103.9 | 0 | 0 | 112.3 | |||||
| 669 | D | 25.2 | Very low | 25.8 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | -49.4 | 147 | 177.3 | -62.8 | -56.8 | 0 | 0 | 0 | 115.3 | ||||
| 670 | N | 29.7 | Very low | 25.4 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | -170.1 | 123.2 | 113.9 | -109.2 | -31 | 0 | 0 | 0 | 115.2 | |||||
| 671 | S | 24 | Very low | 25.4 | Very low | 86 Ų | 86 | 132.6 Ų | 132.6 | 60% | 0.601 | 78% | 0.783 | S | S | * | * | trans | -9.5 | 146.3 | 145.9 | 56.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 672 | T | 24.1 | Very low | 25 | Very low | 123 Ų | 123 | 132 Ų | 132 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 68.7 | 114.4 | 142.6 | 48 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 673 | S | 24.7 | Very low | 25 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | 168.9 | 138.6 | 98.3 | -73 | 0 | 0 | 0 | 0 | 113 | |||||
| 674 | S | 22.8 | Very low | 24.7 | Very low | 92 Ų | 92 | 130 Ų | 130 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | trans | -58.2 | 155.2 | 169.5 | 53.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 675 | N | 24.6 | Very low | 24.9 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | trans | 122.2 | 134 | 138.6 | -68 | -25.5 | 0 | 0 | 0 | 116.8 | ||||
| 676 | G | 26.3 | Very low | 24.7 | Very low | 66 Ų | 66 | 135.8 Ų | 135.8 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | trans | 120 | 76.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 677 | I | 23.9 | Very low | 24.8 | Very low | 178 Ų | 178 | 136 Ų | 136 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | 61.6 | 107.9 | 91.4 | -57.2 | 172.2 | 0 | 0 | 0 | 113.5 | |||||
| 678 | G | 25.3 | Very low | 24.8 | Very low | 61 Ų | 61 | 138.2 Ų | 138.2 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | 87.3 | 83.4 | 127.2 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 679 | N | 24 | Very low | 24.9 | Very low | 159 Ų | 159 | 137 Ų | 137 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -134.8 | 81.3 | 149.4 | -87.9 | -20 | 0 | 0 | 0 | 108.7 | S681 | N679-S681 PolarHBondContact O-N 2.77Š| ||
| 680 | T | 24.2 | Very low | 25 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | trans | -65.2 | 87 | 160.5 | 36.6 | 0 | 0 | 0 | 0 | 107.8 | Q682 | T680-Q682 PolarHBondContact O-N 2.82Å; T680-Q682 VanDerWaalsContact O-N 3.14Å | ||
| 681 | S | 25.3 | Very low | 25.1 | Very low | 93 Ų | 93 | 135 Ų | 135 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | -71.8 | 103.3 | 173.6 | -58 | 0 | 0 | 0 | 0 | 107.6 | N679 L683 | N679-S681 PolarHBondContact O-N 2.77Å; S681-L683 VanDerWaalsContact C-N 3.26Å; S681-L683 PolarHBondContact O-N 2.85Å | ||
| 682 | Q | 23.1 | Very low | 25.7 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -58.4 | 95.9 | 159.6 | -97.9 | 177.7 | -20 | 0 | 0 | 107.3 | T680 Q684 | T680-Q682 PolarHBondContact O-N 2.82Å; T680-Q682 VanDerWaalsContact O-N 3.14Å; Q682-Q684 PolarHBondContact O-N 3.48Å | ||
| 683 | L | 24.3 | Very low | 26.5 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -67.3 | 84 | 164 | -84.2 | 148.5 | 0 | 0 | 0 | 107.7 | S681 L685 | S681-L683 VanDerWaalsContact C-N 3.26Å; S681-L683 PolarHBondContact O-N 2.85Å; L683-L685 PolarHBondContact O-N 3.39Å | ||
| 684 | Q | 21.6 | Very low | 28 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -66.6 | 93.9 | 153.5 | -87.7 | 174.4 | -44.1 | 0 | 0 | 106.5 | Q682 E686 | Q682-Q684 PolarHBondContact O-N 3.48Å; Q684-E686 PolarHBondContact O-N 2.95Å | ||
| 685 | L | 27.4 | Very low | 30.1 | Very low | 155 Ų | 155 | 135.6 Ų | 135.6 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | trans | -66.3 | 100.6 | 166.6 | -85.8 | 146.5 | 0 | 0 | 0 | 107.6 | L683 T687 | L683-L685 PolarHBondContact O-N 3.39Å; L685-T687 PolarHBondContact O-N 3.25Å | ||
| 686 | E | 22.2 | Very low | 33 | Very low | 178 Ų | 178 | 130.1 Ų | 130.1 | 83% | 0.832 | 71% | 0.714 | S | S | * | * | trans | -55.9 | 130.4 | 165.7 | -72 | -179.4 | 152.2 | 0 | 0 | 109.2 | Q684 Q688 | Q684-E686 PolarHBondContact O-N 2.95Å; E686-Q688 VanDerWaalsContact C-N 3.33Å; E686-Q688 PolarHBondContact O-N 2.77Å | ||
| 687 | T | 28.8 | Very low | 35.9 | Very low | 147 Ų | 147 | 127.8 Ų | 127.8 | 90% | 0.902 | 69% | 0.685 | S | S | * | * | trans | -68.2 | 86.6 | 177.6 | 48.5 | 0 | 0 | 0 | 0 | 109.8 | L685 | L685-T687 PolarHBondContact O-N 3.25Š| ||
| 688 | Q | 24.8 | Very low | 39.1 | Very low | 173 Ų | 173 | 119.5 Ų | 119.5 | 81% | 0.808 | 64% | 0.643 | S | S | * | * | trans | -122.1 | 118.9 | 162.3 | -109.6 | 178.3 | 2.7 | 0 | 0 | 107.6 | E686 S690 | E686-Q688 VanDerWaalsContact C-N 3.33Å; E686-Q688 PolarHBondContact O-N 2.77Å; Q688-S690 PolarHBondContact O-N 2.86Å | ||
| 689 | D | 26.7 | Very low | 42.2 | Very low | 151 Ų | 151 | 116.6 Ų | 116.6 | 81% | 0.807 | 61% | 0.613 | S | S | * | * | trans | 24.2 | 88 | 171.3 | -66.4 | -33 | 0 | 0 | 0 | 114 | D691 | D689-D691 PolarHBondContact O-N 2.83Š| ||
| 690 | S | 28.2 | Very low | 45.4 | Very low | 105 Ų | 105 | 110.8 Ų | 110.8 | 73% | 0.734 | 58% | 0.582 | S | S | * | * | trans | -56.1 | 94.2 | 165.5 | 57 | 0 | 0 | 0 | 0 | 107.5 | Q688 K692 | Q688-S690 PolarHBondContact O-N 2.86Å; S690-K692 PolarHBondContact O-N 3.38Å | ||
| 691 | D | 31.6 | Very low | 48.7 | Very low | 144 Ų | 144 | 104 Ų | 104 | 77% | 0.77 | 54% | 0.54 | S | S | * | . | trans | -44.2 | 110.2 | 160.8 | -81.4 | -31.7 | 0 | 0 | 0 | 104.7 | D689 I693 | D689-D691 PolarHBondContact O-N 2.83Å; D691-I693 WeakPolarHBondContact O-CG1 3.17Å; D691-I693 PolarHBondContact O-N 2.84Å | ||
| 692 | K | 35.8 | Very low | 52 | Low | 140 Ų | 140 | 99.6 Ų | 99.6 | 61% | 0.609 | 51% | 0.509 | S | S | * | . | trans | -68.6 | 81.8 | -174.8 | -73.3 | 177.1 | 179.7 | 176 | 0 | 106.7 | N583 S690 H694 | N583-K692 HydrophobicContact CB-CD 4.36Å; S690-K692 PolarHBondContact O-N 3.38Å; K692-H694 PolarHBondContact O-N 2.81Å | ||
| 693 | I | 41.4 | Very low | 55.3 | Low | 88 Ų | 88 | 92.6 Ų | 92.6 | 45% | 0.451 | 48% | 0.48 | S | S | . | . | trans | -49.7 | 117.7 | 178.4 | -67.8 | 152.3 | 0 | 0 | 0 | 106.3 | L647 D691 M695 | L647-I693 HydrophobicContact CD2-CD1 3.56Å; L647-I693 HydrophobicContact CD2-CG1 4.43Å; D691-I693 WeakPolarHBondContact O-CG1 3.17Å; D691-I693 PolarHBondContact O-N 2.84Å; I693-M695 VanDerWaalsContact C-N 3.27Å; I693-M695 PolarHBondContact O-N 2.79Å | ||
| 694 | H | 55.6 | Low | 58.6 | Low | 134 Ų | 134 | 88.7 Ų | 88.7 | 62% | 0.62 | 45% | 0.454 | S | S | * | . | trans | -62.7 | 94.1 | 173.8 | -93.2 | -85.8 | 0 | 0 | 0 | 108.1 | K692 T696 | K692-H694 PolarHBondContact O-N 2.81Å; H694-T696 PolarHBondContact O-N 2.73Å | ||
| 695 | M | 66.8 | Low | 62.1 | Low | 67 Ų | 67 | 80.5 Ų | 80.5 | 33% | 0.33 | 42% | 0.416 | S | S | . | . | trans | -64.9 | 126.4 | 177.6 | -78.4 | -77.5 | -83.2 | 0 | 0 | 108.8 | I643 I693 A699 S703 | I643-M695 HydrophobicContact CD1-CE 4.35Å; I643-M695 HydrophobicContact CG1-CE 4.16Å; I693-M695 VanDerWaalsContact C-N 3.27Å; I693-M695 PolarHBondContact O-N 2.79Å; M695-A699 HydrophobicContact CE-CB 3.5Å; M695-A699 VanDerWaalsContact CE-CB 3.5Å; M695-A699 HydrophobicContact SD-CB 3.76Å; M695-S703 WeakPolarHBondContact CE-OG 3.27Å | ||
| 696 | T | 84.8 | Confident | 65.4 | Low | 46 Ų | 46 | 74.2 Ų | 74.2 | 28% | 0.282 | 38% | 0.384 | S | S | . | . | trans | -61.5 | 158.7 | 173.6 | 63.4 | 0 | 0 | 0 | 0 | 110.3 | T646 H694 I698 A699 N700 | T646-T696 HydrophobicContact CG2-CG2 3.78Å; H694-T696 PolarHBondContact O-N 2.73Å; T696-I698 PolarHBondContact O-N 3.36Å; T696-A699 PolarHBondContact O-N 3.25Å; T696-A699 VanDerWaalsContact O-N 3.15Å; T696-A699 WeakPolarHBondContact OG1-CB 3.46Å; T696-A699 PolarHBondContact OG1-N 2.81Å; T696-N700 PolarHBondContact O-N 3.47Å | ||
| 697 | Y | 89 | Confident | 68.9 | Low | 18 Ų | 18 | 69.8 Ų | 69.8 | 7% | 0.071 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -51 | -47.3 | 175.8 | 171.5 | -100.5 | 0 | 0 | 0 | 111.6 | I558 M602 V603 F606 V609 N700 F701 | I558-Y697 HydrophobicContact CD1-CE1 4.47Å; I558-Y697 HydrophobicContact CG2-CD1 3.7Å; I558-Y697 HydrophobicContact CG2-CE1 3.65Å; M602-Y697 HydrophobicContact CB-CD1 3.9Å; M602-Y697 HydrophobicContact CB-CD2 3.65Å; M602-Y697 HydrophobicContact CB-CE1 4.41Å; M602-Y697 HydrophobicContact CB-CE2 4.21Å; M602-Y697 HydrophobicContact CB-CG 3.5Å; M602-Y697 VanDerWaalsContact CB-CG 3.5Å; M602-Y697 HydrophobicContact CE-CD1 3.68Å; M602-Y697 HydrophobicContact CE-CE1 4.13Å; M602-Y697 HydrophobicContact CE-CG 4.35Å; M602-Y697 HydrophobicContact CG-CD1 4.49Å; M602-Y697 HydrophobicContact CG-CG 4.27Å; V603-Y697 HydrophobicContact CG2-CD2 3.98Å; V603-Y697 HydrophobicContact CG2-CE2 3.96Å; F606-Y697 HydrophobicContact CB-CE1 4.29Å; F606-Y697 WeakPolarHBondContact CB-OH 3.42Å; F606-Y697 HydrophobicContact CD2-CE1 4.19Å; F606-Y697 HydrophobicContact CG-CE1 4.49Å; V609-Y697 WeakPolarHBondContact CG1-OH 3.37Å; Y697-N700 PolarHBondContact O-N 3.21Å; Y697-F701 WeakPolarHBondContact O-CB 3.44Å; Y697-F701 PolarHBondContact O-N 3.17Å |
| 698 | I | 91.2 | Very high | 72.1 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 179.3 | -62.2 | 173.1 | 0 | 0 | 0 | 111.3 | I555 I558 R559 E642 T696 N700 F701 L702 | I555-I698 HydrophobicContact CG2-CG2 4.21Å; I558-I698 HydrophobicContact CG2-CD1 4.13Å; I558-I698 HydrophobicContact CG2-CG1 3.69Å; R559-I698 HydrophobicContact CB-CD1 3.86Å; R559-I698 HydrophobicContact CG-CD1 4.44Å; E642-I698 HydrophobicContact CG-CG2 4.07Å; T696-I698 PolarHBondContact O-N 3.36Å; I698-N700 PolarHBondContact O-N 2.93Å; I698-F701 PolarHBondContact O-N 3.23Å; I698-L702 HydrophobicContact CG2-CD1 3.75Å; I698-L702 HydrophobicContact CG2-CG 4.32Å; I698-L702 WeakPolarHBondContact O-CB 3.3Å; I698-L702 VanDerWaalsContact O-CG 3.31Å; I698-L702 WeakPolarHBondContact O-CG 3.49Å; I698-L702 PolarHBondContact O-N 2.87Å |
| 699 | A | 90.3 | Very high | 75.5 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65 | -41.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T646 M695 T696 S703 | T646-A699 HydrophobicContact CG2-CB 4.46Å; M695-A699 HydrophobicContact CE-CB 3.5Å; M695-A699 VanDerWaalsContact CE-CB 3.5Å; M695-A699 HydrophobicContact SD-CB 3.76Å; T696-A699 PolarHBondContact O-N 3.25Å; T696-A699 VanDerWaalsContact O-N 3.15Å; T696-A699 WeakPolarHBondContact OG1-CB 3.46Å; T696-A699 PolarHBondContact OG1-N 2.81Å; A699-S703 VanDerWaalsContact O-CB 3.32Å; A699-S703 WeakPolarHBondContact O-CB 3.24Å; A699-S703 PolarHBondContact O-N 3.49Å; A699-S703 PolarHBondContact O-OG 3.05Å |
| 700 | N | 90.3 | Very high | 78.9 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 20% | 0.198 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 174.8 | 172.6 | 56 | 0 | 0 | 0 | 111.7 | F599 T696 Y697 I698 S703 R704 | F599-N700 HydrophobicContact CE2-CB 4.2Å; F599-N700 HydrophobicContact CZ-CB 4.47Å; F599-N700 WeakPolarHBondContact CZ-ND2 3.38Å; T696-N700 PolarHBondContact O-N 3.47Å; Y697-N700 PolarHBondContact O-N 3.21Å; I698-N700 PolarHBondContact O-N 2.93Å; N700-S703 PolarHBondContact O-N 3.18Å; N700-R704 PolarHBondContact ND2-NH2 3.5Å; N700-R704 WeakPolarHBondContact O-CG 3.49Å; N700-R704 PolarHBondContact O-N 2.94Å; N700-R704 VanDerWaalsContact O-N 3.12Å; N700-R704 PolarHBondContact OD1-NE 3.09Å |
| 701 | F | 93.1 | Very high | 82.2 | Confident | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.4 | -52.1 | 176.2 | 162.9 | -117 | 0 | 0 | 0 | 111.8 | I558 V609 E610 I613 Y697 I698 S703 R704 L705 | I558-F701 HydrophobicContact CD1-CD1 4.43Å; I558-F701 HydrophobicContact CD1-CE1 4.01Å; V609-F701 HydrophobicContact CB-CE2 4.37Å; V609-F701 HydrophobicContact CB-CZ 4.48Å; V609-F701 HydrophobicContact CG1-CD2 4.02Å; V609-F701 HydrophobicContact CG1-CE2 3.52Å; V609-F701 HydrophobicContact CG1-CZ 3.9Å; V609-F701 HydrophobicContact CG2-CE2 4.05Å; V609-F701 HydrophobicContact CG2-CZ 3.71Å; E610-F701 HydrophobicContact CB-CE2 4.47Å; I613-F701 HydrophobicContact CD1-CE1 4.44Å; I613-F701 HydrophobicContact CD1-CE2 4.16Å; I613-F701 HydrophobicContact CD1-CZ 3.5Å; Y697-F701 WeakPolarHBondContact O-CB 3.44Å; Y697-F701 PolarHBondContact O-N 3.17Å; I698-F701 PolarHBondContact O-N 3.23Å; F701-S703 VanDerWaalsContact C-N 3.34Å; F701-S703 PolarHBondContact O-N 3.28Å; F701-R704 PolarHBondContact O-N 2.83Å; F701-L705 HydrophobicContact CD1-CD1 4.43Å; F701-L705 HydrophobicContact CD2-CD1 4.17Å; F701-L705 HydrophobicContact CD2-CG 4.26Å; F701-L705 HydrophobicContact CE1-CD1 3.91Å; F701-L705 HydrophobicContact CE2-CD1 3.59Å; F701-L705 HydrophobicContact CE2-CD2 4.21Å; F701-L705 HydrophobicContact CE2-CG 3.97Å; F701-L705 HydrophobicContact CZ-CD1 3.5Å; F701-L705 HydrophobicContact CZ-CG 4.38Å; F701-L705 WeakPolarHBondContact O-CG 3.08Å; F701-L705 PolarHBondContact O-N 2.91Å; F701-L705 VanDerWaalsContact O-N 3.09Å |
| 702 | L | 94.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.1 | -35.6 | 179.5 | -71.9 | 172.8 | 0 | 0 | 0 | 113.3 | I555 I638 T639 E642 I698 R704 L705 T706 | I555-L702 HydrophobicContact CD1-CD1 4.15Å; I555-L702 HydrophobicContact CD1-CD2 4.03Å; I638-L702 HydrophobicContact CG2-CD1 3.93Å; I638-L702 HydrophobicContact CG2-CD2 4.14Å; T639-L702 HydrophobicContact CG2-CB 4.09Å; T639-L702 WeakPolarHBondContact OG1-CB 3.18Å; T639-L702 PolarHBondContact OG1-O 2.99Å; E642-L702 HydrophobicContact CB-CD1 3.99Å; E642-L702 HydrophobicContact CG-CD1 3.42Å; E642-L702 VanDerWaalsContact CG-CD1 3.42Å; I698-L702 HydrophobicContact CG2-CD1 3.75Å; I698-L702 HydrophobicContact CG2-CG 4.32Å; I698-L702 WeakPolarHBondContact O-CB 3.3Å; I698-L702 VanDerWaalsContact O-CG 3.31Å; I698-L702 WeakPolarHBondContact O-CG 3.49Å; I698-L702 PolarHBondContact O-N 2.87Å; L702-R704 VanDerWaalsContact C-N 3.33Å; L702-R704 PolarHBondContact O-N 3.32Å; L702-L705 HydrophobicContact CD2-CD1 4.41Å; L702-L705 PolarHBondContact O-N 3.16Å; L702-T706 WeakPolarHBondContact O-CB 3.24Å; L702-T706 PolarHBondContact O-N 3.48Å; L702-T706 PolarHBondContact O-OG1 2.84Å |
| 703 | S | 92.9 | Very high | 88.1 | Confident | 32 Ų | 32 | 40.5 Ų | 40.5 | 22% | 0.224 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | 175.1 | -62.8 | 0 | 0 | 0 | 0 | 111.6 | M695 A699 N700 F701 T706 I707 | M695-S703 WeakPolarHBondContact CE-OG 3.27Å; A699-S703 VanDerWaalsContact O-CB 3.32Å; A699-S703 WeakPolarHBondContact O-CB 3.24Å; A699-S703 PolarHBondContact O-N 3.49Å; A699-S703 PolarHBondContact O-OG 3.05Å; N700-S703 PolarHBondContact O-N 3.18Å; F701-S703 VanDerWaalsContact C-N 3.34Å; F701-S703 PolarHBondContact O-N 3.28Å; S703-T706 WeakPolarHBondContact O-CB 3.31Å; S703-T706 PolarHBondContact O-N 3.12Å; S703-I707 WeakPolarHBondContact O-CG1 3.48Å; S703-I707 PolarHBondContact O-N 2.89Å; S703-I707 VanDerWaalsContact O-N 3.13Å |
| 704 | R | 93.8 | Very high | 90.7 | Very high | 68 Ų | 68 | 39.8 Ų | 39.8 | 26% | 0.257 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.3 | -44.7 | 175.5 | -68.1 | 178.8 | -170.1 | -176.1 | 0.3 | 112 | Y587 E610 N700 F701 L702 T706 I707 E708 | Y587-R704 PolarHBondContact OH-NH1 3Å; Y587-R704 PolarHBondContact OH-NH2 3.24Å; E610-R704 WeakPolarHBondContact OE1-CD 2.99Å; E610-R704 WeakPolarHBondContact OE2-CD 3.48Å; E610-R704 IonicContact OE2-NH1 3.34Å; E610-R704 PolarHBondContact OE2-NH1 3.47Å; E610-R704 VanDerWaalsContact OE2-NH1 3.15Å; N700-R704 PolarHBondContact ND2-NH2 3.5Å; N700-R704 WeakPolarHBondContact O-CG 3.49Å; N700-R704 PolarHBondContact O-N 2.94Å; N700-R704 VanDerWaalsContact O-N 3.12Å; N700-R704 PolarHBondContact OD1-NE 3.09Å; F701-R704 PolarHBondContact O-N 2.83Å; L702-R704 VanDerWaalsContact C-N 3.33Å; L702-R704 PolarHBondContact O-N 3.32Å; R704-T706 VanDerWaalsContact C-N 3.3Å; R704-T706 PolarHBondContact O-N 3.4Å; R704-I707 WeakPolarHBondContact O-CB 3.35Å; R704-I707 PolarHBondContact O-N 3.46Å; R704-I707 VanDerWaalsContact O-N 3.15Å; R704-E708 PolarHBondContact O-N 3.47Å |
| 705 | L | 95.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.3 | -42.7 | 175.5 | -65 | -178.6 | 0 | 0 | 0 | 111.7 | F551 E610 I613 I635 F701 L702 I707 E708 T709 | F551-L705 HydrophobicContact CE1-CD1 4.02Å; E610-L705 HydrophobicContact CG-CD2 4.38Å; I613-L705 HydrophobicContact CB-CD1 4.47Å; I613-L705 HydrophobicContact CB-CD2 3.94Å; I613-L705 HydrophobicContact CD1-CD1 3.73Å; I613-L705 HydrophobicContact CG2-CD1 4.02Å; I613-L705 HydrophobicContact CG2-CD2 3.7Å; I613-L705 HydrophobicContact CG2-CG 4.44Å; I635-L705 HydrophobicContact CG2-CB 4.03Å; F701-L705 HydrophobicContact CD1-CD1 4.43Å; F701-L705 HydrophobicContact CD2-CD1 4.17Å; F701-L705 HydrophobicContact CD2-CG 4.26Å; F701-L705 HydrophobicContact CE1-CD1 3.91Å; F701-L705 HydrophobicContact CE2-CD1 3.59Å; F701-L705 HydrophobicContact CE2-CD2 4.21Å; F701-L705 HydrophobicContact CE2-CG 3.97Å; F701-L705 HydrophobicContact CZ-CD1 3.5Å; F701-L705 HydrophobicContact CZ-CG 4.38Å; F701-L705 WeakPolarHBondContact O-CG 3.08Å; F701-L705 PolarHBondContact O-N 2.91Å; F701-L705 VanDerWaalsContact O-N 3.09Å; L702-L705 HydrophobicContact CD2-CD1 4.41Å; L702-L705 PolarHBondContact O-N 3.16Å; L705-I707 VanDerWaalsContact C-N 3.29Å; L705-I707 PolarHBondContact O-N 3.32Å; L705-E708 PolarHBondContact O-N 3.15Å; L705-E708 VanDerWaalsContact O-N 3.14Å; L705-T709 PolarHBondContact O-N 2.94Å; L705-T709 PolarHBondContact O-OG1 2.95Å |
| 706 | T | 95.8 | Very high | 93.9 | Very high | 22 Ų | 22 | 34.4 Ų | 34.4 | 14% | 0.135 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.7 | -42.8 | 176.3 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | I635 T639 L702 S703 R704 K710 | I635-T706 WeakPolarHBondContact CG2-OG1 3.36Å; T639-T706 PolarHBondContact OG1-OG1 2.84Å; L702-T706 WeakPolarHBondContact O-CB 3.24Å; L702-T706 PolarHBondContact O-N 3.48Å; L702-T706 PolarHBondContact O-OG1 2.84Å; S703-T706 WeakPolarHBondContact O-CB 3.31Å; S703-T706 PolarHBondContact O-N 3.12Å; R704-T706 VanDerWaalsContact C-N 3.3Å; R704-T706 PolarHBondContact O-N 3.4Å; T706-K710 VanDerWaalsContact O-CB 3.27Å; T706-K710 WeakPolarHBondContact O-CB 3.27Å; T706-K710 PolarHBondContact O-N 3.33Å |
| 707 | I | 96.1 | Very high | 94.4 | Very high | 86 Ų | 86 | 32.4 Ų | 32.4 | 44% | 0.441 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 176.7 | -67.2 | 164.6 | 0 | 0 | 0 | 110.5 | S703 R704 L705 K710 R711 | S703-I707 WeakPolarHBondContact O-CG1 3.48Å; S703-I707 PolarHBondContact O-N 2.89Å; S703-I707 VanDerWaalsContact O-N 3.13Å; R704-I707 WeakPolarHBondContact O-CB 3.35Å; R704-I707 PolarHBondContact O-N 3.46Å; R704-I707 VanDerWaalsContact O-N 3.15Å; L705-I707 VanDerWaalsContact C-N 3.29Å; L705-I707 PolarHBondContact O-N 3.32Å; I707-K710 WeakPolarHBondContact O-CB 3.39Å; I707-K710 PolarHBondContact O-N 3.49Å; I707-R711 WeakPolarHBondContact O-CG 3.42Å; I707-R711 PolarHBondContact O-N 3.45Å |
| 708 | E | 96.4 | Very high | 94.7 | Very high | 46 Ų | 46 | 37.4 Ų | 37.4 | 22% | 0.215 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.5 | -39.3 | -178.4 | -69.8 | -58.7 | 145.2 | 0 | 0 | 113 | L614 I617 R704 L705 K710 R711 A712 | L614-E708 HydrophobicContact CD2-CB 3.42Å; L614-E708 VanDerWaalsContact CD2-CB 3.42Å; L614-E708 HydrophobicContact CD2-CG 3.51Å; I617-E708 HydrophobicContact CD1-CB 4.37Å; R704-E708 PolarHBondContact O-N 3.47Å; L705-E708 PolarHBondContact O-N 3.15Å; L705-E708 VanDerWaalsContact O-N 3.14Å; E708-K710 VanDerWaalsContact C-N 3.34Å; E708-R711 WeakPolarHBondContact O-CB 3.43Å; E708-R711 PolarHBondContact O-N 3.24Å; E708-R711 IonicContact OE1-CZ 3.78Å; E708-R711 IonicContact OE1-NE 3.26Å; E708-R711 IonicContact OE1-NH1 3.98Å; E708-R711 PolarHBondContact OE1-NH1 2.94Å; E708-R711 IonicContact OE2-NH1 2.57Å; E708-A712 PolarHBondContact O-N 3.07Å |
| 709 | T | 96.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.4 | -35.2 | 173.9 | -44.3 | 0 | 0 | 0 | 0 | 111.5 | I617 I628 L631 L632 I635 L705 R711 A712 F713 | I617-T709 WeakPolarHBondContact CD1-OG1 3.31Å; I628-T709 HydrophobicContact CG2-CG2 4.41Å; L631-T709 HydrophobicContact CB-CG2 4.32Å; L631-T709 HydrophobicContact CD2-CG2 4.31Å; L631-T709 HydrophobicContact CG-CG2 3.99Å; L632-T709 HydrophobicContact CB-CG2 3.84Å; L632-T709 HydrophobicContact CD1-CG2 4.18Å; I635-T709 HydrophobicContact CD1-CG2 4.22Å; I635-T709 WeakPolarHBondContact CD1-OG1 3.49Å; L705-T709 PolarHBondContact O-N 2.94Å; L705-T709 PolarHBondContact O-OG1 2.95Å; T709-R711 VanDerWaalsContact C-N 3.34Å; T709-R711 PolarHBondContact O-N 3.36Å; T709-A712 WeakPolarHBondContact O-CB 3.49Å; T709-A712 PolarHBondContact O-N 3.35Å; T709-F713 PolarHBondContact O-N 2.91Å |
| 710 | K | 96.7 | Very high | 94.9 | Very high | 67 Ų | 67 | 42 Ų | 42 | 29% | 0.291 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 171 | -178 | -176.8 | -173.4 | 158.9 | 0 | 111.3 | L632 T706 I707 E708 A712 F713 N714 D763 | L632-K710 HydrophobicContact CD1-CB 4.24Å; T706-K710 VanDerWaalsContact O-CB 3.27Å; T706-K710 WeakPolarHBondContact O-CB 3.27Å; T706-K710 PolarHBondContact O-N 3.33Å; I707-K710 WeakPolarHBondContact O-CB 3.39Å; I707-K710 PolarHBondContact O-N 3.49Å; E708-K710 VanDerWaalsContact C-N 3.34Å; K710-A712 VanDerWaalsContact C-N 3.3Å; K710-A712 PolarHBondContact O-N 2.96Å; K710-F713 WeakPolarHBondContact O-CB 3.46Å; K710-F713 PolarHBondContact O-N 3.32Å; K710-N714 PolarHBondContact O-N 3.3Å; K710-D763 WeakPolarHBondContact CE-OD1 3.29Å; K710-D763 IonicContact NZ-OD1 3.62Å; K710-D763 PolarHBondContact NZ-OD1 2.76Å; K710-D763 IonicContact NZ-OD2 2.89Å |
| 711 | R | 97.3 | Very high | 95.2 | Very high | 131 Ų | 131 | 41.5 Ų | 41.5 | 49% | 0.494 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.8 | -41.1 | 174.3 | -72.5 | 170.8 | 178.2 | 175.4 | -0.8 | 111.1 | I707 E708 T709 F713 N714 R715 | I707-R711 WeakPolarHBondContact O-CG 3.42Å; I707-R711 PolarHBondContact O-N 3.45Å; E708-R711 WeakPolarHBondContact O-CB 3.43Å; E708-R711 PolarHBondContact O-N 3.24Å; E708-R711 IonicContact OE1-CZ 3.78Å; E708-R711 IonicContact OE1-NE 3.26Å; E708-R711 IonicContact OE1-NH1 3.98Å; E708-R711 PolarHBondContact OE1-NH1 2.94Å; E708-R711 IonicContact OE2-NH1 2.57Å; T709-R711 VanDerWaalsContact C-N 3.34Å; T709-R711 PolarHBondContact O-N 3.36Å; R711-F713 PolarHBondContact O-N 3.44Å; R711-N714 PolarHBondContact O-N 2.95Å; R711-R715 WeakPolarHBondContact O-CG 3.48Å; R711-R715 PolarHBondContact O-N 3.48Å |
| 712 | A | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I617 I628 E708 T709 K710 N714 R715 L716 | I617-A712 HydrophobicContact CG2-CB 3.66Å; I628-A712 HydrophobicContact CD1-CB 4.11Å; I628-A712 HydrophobicContact CG1-CB 4.36Å; I628-A712 HydrophobicContact CG2-CB 3.75Å; E708-A712 PolarHBondContact O-N 3.07Å; T709-A712 WeakPolarHBondContact O-CB 3.49Å; T709-A712 PolarHBondContact O-N 3.35Å; K710-A712 VanDerWaalsContact C-N 3.3Å; K710-A712 PolarHBondContact O-N 2.96Å; A712-N714 PolarHBondContact O-N 3.31Å; A712-R715 VanDerWaalsContact CB-NH2 3.34Å; A712-R715 WeakPolarHBondContact O-CB 3.42Å; A712-R715 PolarHBondContact O-N 2.83Å; A712-L716 PolarHBondContact O-N 3.31Å |
| 713 | F | 96.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.7 | -43.1 | 175.5 | 174.9 | -104.1 | 0 | 0 | 0 | 111.7 | I628 M629 L632 T709 K710 R711 R715 L716 V717 F755 D763 L764 A767 | I628-F713 HydrophobicContact CG2-CB 4.03Å; M629-F713 HydrophobicContact CG-CD2 4.13Å; M629-F713 HydrophobicContact CG-CE2 4Å; M629-F713 HydrophobicContact SD-CE2 4.36Å; L632-F713 HydrophobicContact CD2-CB 3.88Å; L632-F713 HydrophobicContact CD2-CD1 4.32Å; L632-F713 HydrophobicContact CD2-CD2 4.46Å; L632-F713 HydrophobicContact CD2-CG 3.97Å; T709-F713 PolarHBondContact O-N 2.91Å; K710-F713 WeakPolarHBondContact O-CB 3.46Å; K710-F713 PolarHBondContact O-N 3.32Å; R711-F713 PolarHBondContact O-N 3.44Å; F713-R715 VanDerWaalsContact C-N 3.3Å; F713-R715 PolarHBondContact O-N 3.38Å; F713-L716 HydrophobicContact CD2-CD2 4.45Å; F713-L716 WeakPolarHBondContact O-CB 3.48Å; F713-L716 PolarHBondContact O-N 2.82Å; F713-L716 VanDerWaalsContact O-N 3.15Å; F713-V717 HydrophobicContact CE1-CG2 4.17Å; F713-V717 HydrophobicContact CZ-CG2 4.13Å; F713-V717 WeakPolarHBondContact O-CG2 3.24Å; F713-V717 PolarHBondContact O-N 3.42Å; F713-V717 VanDerWaalsContact O-N 3.09Å; F713-F755 HydrophobicContact CD2-CZ 4.49Å; F713-F755 HydrophobicContact CE2-CE2 4.39Å; F713-F755 HydrophobicContact CE2-CZ 4.03Å; F713-F755 HydrophobicContact CZ-CZ 4.25Å; F713-D763 HydrophobicContact CE1-CB 4.46Å; F713-L764 HydrophobicContact CZ-CD1 4.43Å; F713-A767 HydrophobicContact CE1-CB 3.95Å; F713-A767 HydrophobicContact CZ-CB 3.75Å |
| 714 | N | 96.6 | Very high | 95 | Very high | 73 Ų | 73 | 45 Ų | 45 | 39% | 0.39 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.6 | -37.8 | 175.4 | -67.6 | -16.9 | 0 | 0 | 0 | 112 | K710 R711 A712 L716 V717 E718 | K710-N714 PolarHBondContact O-N 3.3Å; R711-N714 PolarHBondContact O-N 2.95Å; A712-N714 PolarHBondContact O-N 3.31Å; N714-L716 VanDerWaalsContact C-N 3.34Å; N714-L716 PolarHBondContact O-N 2.92Å; N714-V717 PolarHBondContact O-N 3.48Å; N714-E718 PolarHBondContact O-N 2.85Å |
| 715 | R | 95.4 | Very high | 94.8 | Very high | 85 Ų | 85 | 47.4 Ų | 47.4 | 32% | 0.321 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.1 | -38.2 | 173.6 | -71 | -171 | -61 | -94.5 | 6.4 | 112.4 | E621 R711 A712 F713 E718 R719 | E621-R715 IonicContact OE1-NE 3.28Å; E621-R715 PolarHBondContact OE1-NE 3.25Å; E621-R715 IonicContact OE2-CZ 3.7Å; E621-R715 IonicContact OE2-NE 2.82Å; E621-R715 PolarHBondContact OE2-NE 2.88Å; E621-R715 IonicContact OE2-NH2 3.38Å; E621-R715 PolarHBondContact OE2-NH2 2.87Å; R711-R715 WeakPolarHBondContact O-CG 3.48Å; R711-R715 PolarHBondContact O-N 3.48Å; A712-R715 VanDerWaalsContact CB-NH2 3.34Å; A712-R715 WeakPolarHBondContact O-CB 3.42Å; A712-R715 PolarHBondContact O-N 2.83Å; F713-R715 VanDerWaalsContact C-N 3.3Å; F713-R715 PolarHBondContact O-N 3.38Å; R715-E718 PolarHBondContact O-N 3.47Å; R715-R719 WeakPolarHBondContact O-CB 3.28Å; R715-R719 VanDerWaalsContact O-CG 3.31Å; R715-R719 WeakPolarHBondContact O-CG 3.41Å; R715-R719 PolarHBondContact O-N 3.07Å |
| 716 | L | 93.6 | Very high | 94.4 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.7 | -48.4 | 172.4 | 165.6 | 67.3 | 0 | 0 | 0 | 110.9 | M629 A712 F713 N714 E718 R719 L720 F747 | M629-L716 HydrophobicContact CG-CD2 4.24Å; A712-L716 PolarHBondContact O-N 3.31Å; F713-L716 HydrophobicContact CD2-CD2 4.45Å; F713-L716 WeakPolarHBondContact O-CB 3.48Å; F713-L716 PolarHBondContact O-N 2.82Å; F713-L716 VanDerWaalsContact O-N 3.15Å; N714-L716 VanDerWaalsContact C-N 3.34Å; N714-L716 PolarHBondContact O-N 2.92Å; L716-E718 VanDerWaalsContact C-N 3.34Å; L716-E718 PolarHBondContact O-N 2.67Å; L716-R719 PolarHBondContact O-N 2.59Å; L716-L720 HydrophobicContact CD1-CD1 4.17Å; L716-L720 HydrophobicContact CD1-CG 4.35Å; L716-L720 HydrophobicContact CG-CD1 4.29Å; L716-L720 WeakPolarHBondContact O-CG 3.45Å; L716-L720 PolarHBondContact O-N 3.07Å; L716-F747 HydrophobicContact CD2-CE2 4.38Å |
| 717 | V | 95.8 | Very high | 93.5 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.03 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.2 | -45.1 | 178.4 | 176.9 | 0 | 0 | 0 | 0 | 111 | F713 N714 R719 L720 I721 A767 L771 | F713-V717 HydrophobicContact CE1-CG2 4.17Å; F713-V717 HydrophobicContact CZ-CG2 4.13Å; F713-V717 WeakPolarHBondContact O-CG2 3.24Å; F713-V717 PolarHBondContact O-N 3.42Å; F713-V717 VanDerWaalsContact O-N 3.09Å; N714-V717 PolarHBondContact O-N 3.48Å; V717-R719 PolarHBondContact O-N 2.93Å; V717-L720 WeakPolarHBondContact O-CB 3.44Å; V717-L720 PolarHBondContact O-N 3.47Å; V717-I721 HydrophobicContact CG1-CD1 4.06Å; V717-I721 WeakPolarHBondContact O-CG1 3.47Å; V717-I721 PolarHBondContact O-N 2.93Å; V717-A767 HydrophobicContact CG1-CB 4.39Å; V717-A767 HydrophobicContact CG2-CB 3.61Å; V717-L771 HydrophobicContact CG1-CD2 4.26Å; V717-L771 HydrophobicContact CG1-CG 4.18Å |
| 718 | E | 95.6 | Very high | 92.4 | Very high | 122 Ų | 122 | 55.5 Ų | 55.5 | 57% | 0.57 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62 | -41.9 | 177.7 | -173.3 | 171.6 | -162.3 | 0 | 0 | 112.3 | N714 R715 L716 L720 I721 I722 | N714-E718 PolarHBondContact O-N 2.85Å; R715-E718 PolarHBondContact O-N 3.47Å; L716-E718 VanDerWaalsContact C-N 3.34Å; L716-E718 PolarHBondContact O-N 2.67Å; E718-L720 VanDerWaalsContact C-N 3.34Å; E718-L720 PolarHBondContact O-N 3.45Å; E718-I721 WeakPolarHBondContact O-CB 3.35Å; E718-I721 PolarHBondContact O-N 2.92Å; E718-I722 HydrophobicContact CG-CD1 4.12Å; E718-I722 WeakPolarHBondContact O-CG1 3.44Å; E718-I722 PolarHBondContact O-N 3.36Å |
| 719 | R | 92.1 | Very high | 91.1 | Very high | 100 Ų | 100 | 54.4 Ų | 54.4 | 38% | 0.377 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 174.6 | -75.8 | 178.6 | -176.2 | 169 | 8.5 | 112.6 | V529 E621 S625 R715 L716 V717 I722 S723 | V529-R719 HydrophobicContact CG1-CB 4.32Å; E621-R719 IonicContact OE1-CZ 2.71Å; E621-R719 IonicContact OE1-NE 3Å; E621-R719 IonicContact OE1-NH1 2.77Å; E621-R719 PolarHBondContact OE1-NH1 2.84Å; E621-R719 IonicContact OE1-NH2 3.53Å; E621-R719 PolarHBondContact OE1-NH2 2.95Å; S625-R719 PolarHBondContact OG-NH1 2.98Å; R715-R719 WeakPolarHBondContact O-CB 3.28Å; R715-R719 VanDerWaalsContact O-CG 3.31Å; R715-R719 WeakPolarHBondContact O-CG 3.41Å; R715-R719 PolarHBondContact O-N 3.07Å; L716-R719 PolarHBondContact O-N 2.59Å; V717-R719 PolarHBondContact O-N 2.93Å; R719-I722 PolarHBondContact O-N 3.1Å; R719-S723 WeakPolarHBondContact O-CB 3.34Å; R719-S723 PolarHBondContact O-N 3.15Å |
| 720 | L | 93.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 175 | -72.2 | 168.2 | 0 | 0 | 0 | 111.2 | V529 M530 L716 V717 E718 I722 S723 F724 T743 F747 L771 | V529-L720 HydrophobicContact CG1-CD2 3.75Å; V529-L720 HydrophobicContact CG1-CG 4.23Å; M530-L720 HydrophobicContact CG-CD2 3.64Å; M530-L720 HydrophobicContact SD-CD2 3.99Å; L716-L720 HydrophobicContact CD1-CD1 4.17Å; L716-L720 HydrophobicContact CD1-CG 4.35Å; L716-L720 HydrophobicContact CG-CD1 4.29Å; L716-L720 WeakPolarHBondContact O-CG 3.45Å; L716-L720 PolarHBondContact O-N 3.07Å; V717-L720 WeakPolarHBondContact O-CB 3.44Å; V717-L720 PolarHBondContact O-N 3.47Å; E718-L720 VanDerWaalsContact C-N 3.34Å; E718-L720 PolarHBondContact O-N 3.45Å; L720-I722 VanDerWaalsContact C-N 3.34Å; L720-I722 PolarHBondContact O-N 2.83Å; L720-S723 WeakPolarHBondContact O-CB 3.32Å; L720-S723 PolarHBondContact O-N 3.44Å; L720-F724 HydrophobicContact CB-CZ 4.28Å; L720-F724 HydrophobicContact CD2-CE1 4.48Å; L720-F724 WeakPolarHBondContact O-CD1 3.47Å; L720-F724 WeakPolarHBondContact O-CG 3.47Å; L720-F724 PolarHBondContact O-N 3.18Å; L720-T743 HydrophobicContact CD2-CG2 3.8Å; L720-F747 HydrophobicContact CD1-CD2 3.7Å; L720-F747 HydrophobicContact CD1-CE2 4.11Å; L720-F747 HydrophobicContact CD1-CG 4.13Å; L720-L771 HydrophobicContact CB-CD2 3.58Å; L720-L771 HydrophobicContact CD1-CD1 4.29Å; L720-L771 HydrophobicContact CD1-CD2 4.23Å |
| 721 | I | 95.5 | Very high | 88.2 | Confident | 27 Ų | 27 | 62 Ų | 62 | 14% | 0.138 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.8 | -45.2 | 175.4 | -70.1 | 170.2 | 0 | 0 | 0 | 111.2 | V717 E718 F724 K725 E770 L771 C774 | V717-I721 HydrophobicContact CG1-CD1 4.06Å; V717-I721 WeakPolarHBondContact O-CG1 3.47Å; V717-I721 PolarHBondContact O-N 2.93Å; E718-I721 WeakPolarHBondContact O-CB 3.35Å; E718-I721 PolarHBondContact O-N 2.92Å; I721-F724 PolarHBondContact O-N 3.29Å; I721-K725 HydrophobicContact CG2-CD 4.21Å; I721-K725 WeakPolarHBondContact O-CG 3.39Å; I721-K725 PolarHBondContact O-N 2.87Å; I721-K725 VanDerWaalsContact O-N 3.09Å; I721-E770 HydrophobicContact CD1-CB 4.25Å; I721-L771 HydrophobicContact CG1-CD2 3.94Å; I721-C774 HydrophobicContact CG1-CB 4.48Å |
| 722 | I | 92.9 | Very high | 86.8 | Confident | 89 Ų | 89 | 64.2 Ų | 64.2 | 46% | 0.456 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 176.9 | -66.6 | 165.6 | 0 | 0 | 0 | 110.7 | E718 R719 L720 F724 K725 T726 | E718-I722 HydrophobicContact CG-CD1 4.12Å; E718-I722 WeakPolarHBondContact O-CG1 3.44Å; E718-I722 PolarHBondContact O-N 3.36Å; R719-I722 PolarHBondContact O-N 3.1Å; L720-I722 VanDerWaalsContact C-N 3.34Å; L720-I722 PolarHBondContact O-N 2.83Å; I722-F724 VanDerWaalsContact C-N 3.33Å; I722-F724 PolarHBondContact O-N 2.97Å; I722-K725 PolarHBondContact O-N 2.85Å; I722-T726 HydrophobicContact CG2-CG2 4.33Å; I722-T726 WeakPolarHBondContact O-CG2 3.31Å; I722-T726 PolarHBondContact O-N 2.78Å; I722-T726 PolarHBondContact O-OG1 3.29Å |
| 723 | S | 90.2 | Very high | 85.6 | Confident | 19 Ų | 19 | 68.5 Ų | 68.5 | 13% | 0.133 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.4 | -42.3 | 175.7 | -178.3 | 0 | 0 | 0 | 0 | 112 | R719 L720 T726 S727 | R719-S723 WeakPolarHBondContact O-CB 3.34Å; R719-S723 PolarHBondContact O-N 3.15Å; L720-S723 WeakPolarHBondContact O-CB 3.32Å; L720-S723 PolarHBondContact O-N 3.44Å; S723-T726 PolarHBondContact O-N 2.83Å; S723-T726 PolarHBondContact O-OG1 3.2Å; S723-T726 VanDerWaalsContact O-OG1 3.09Å; S723-S727 PolarHBondContact O-N 3.48Å |
| 724 | F | 93.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 177.6 | -61 | -9.6 | 0 | 0 | 0 | 111.5 | L720 I721 I722 T726 S727 M740 T743 L771 L775 | L720-F724 HydrophobicContact CB-CZ 4.28Å; L720-F724 HydrophobicContact CD2-CE1 4.48Å; L720-F724 WeakPolarHBondContact O-CD1 3.47Å; L720-F724 WeakPolarHBondContact O-CG 3.47Å; L720-F724 PolarHBondContact O-N 3.18Å; I721-F724 PolarHBondContact O-N 3.29Å; I722-F724 VanDerWaalsContact C-N 3.33Å; I722-F724 PolarHBondContact O-N 2.97Å; F724-T726 VanDerWaalsContact C-N 3.32Å; F724-T726 PolarHBondContact O-N 2.65Å; F724-S727 VanDerWaalsContact O-CB 3.25Å; F724-S727 WeakPolarHBondContact O-CB 3.43Å; F724-S727 PolarHBondContact O-N 3.16Å; F724-M740 HydrophobicContact CB-CB 4.25Å; F724-M740 HydrophobicContact CB-SD 4.24Å; F724-M740 HydrophobicContact CD1-CB 3.56Å; F724-M740 HydrophobicContact CE1-CB 4.18Å; F724-M740 WeakPolarHBondContact CE1-O 3.11Å; F724-M740 HydrophobicContact CG-CB 4.05Å; F724-T743 HydrophobicContact CE1-CG2 3.98Å; F724-L771 HydrophobicContact CD2-CD2 4.47Å; F724-L771 HydrophobicContact CE2-CB 4.31Å; F724-L771 HydrophobicContact CE2-CD2 3.71Å; F724-L771 HydrophobicContact CZ-CD2 4.24Å; F724-L775 HydrophobicContact CD2-CB 4.4Å; F724-L775 HydrophobicContact CD2-CD1 4.27Å; F724-L775 HydrophobicContact CE2-CD1 4.41Å |
| 725 | K | 91.5 | Very high | 83.9 | Confident | 120 Ų | 120 | 70.1 Ų | 70.1 | 52% | 0.522 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.7 | -31 | 179.6 | -70.4 | 175.7 | 179.8 | 178.7 | 0 | 114 | I721 I722 S727 E778 | I721-K725 HydrophobicContact CG2-CD 4.21Å; I721-K725 WeakPolarHBondContact O-CG 3.39Å; I721-K725 PolarHBondContact O-N 2.87Å; I721-K725 VanDerWaalsContact O-N 3.09Å; I722-K725 PolarHBondContact O-N 2.85Å; K725-S727 VanDerWaalsContact C-N 3.32Å; K725-E778 HydrophobicContact CG-CG 4.32Å |
| 726 | T | 87.2 | Confident | 83.5 | Confident | 70 Ų | 70 | 67 Ų | 67 | 43% | 0.429 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -84 | -8.1 | 179.8 | 53.7 | 0 | 0 | 0 | 0 | 113.2 | I722 S723 F724 K728 | I722-T726 HydrophobicContact CG2-CG2 4.33Å; I722-T726 WeakPolarHBondContact O-CG2 3.31Å; I722-T726 PolarHBondContact O-N 2.78Å; I722-T726 PolarHBondContact O-OG1 3.29Å; S723-T726 PolarHBondContact O-N 2.83Å; S723-T726 PolarHBondContact O-OG1 3.2Å; S723-T726 VanDerWaalsContact O-OG1 3.09Å; F724-T726 VanDerWaalsContact C-N 3.32Å; F724-T726 PolarHBondContact O-N 2.65Å; T726-K728 PolarHBondContact O-N 2.93Å |
| 727 | S | 76.5 | Confident | 83.3 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 125 | 177.9 | -163.6 | 0 | 0 | 0 | 0 | 111.9 | S723 F724 K725 M740 R781 | S723-S727 PolarHBondContact O-N 3.48Å; F724-S727 VanDerWaalsContact O-CB 3.25Å; F724-S727 WeakPolarHBondContact O-CB 3.43Å; F724-S727 PolarHBondContact O-N 3.16Å; K725-S727 VanDerWaalsContact C-N 3.32Å; S727-M740 VanDerWaalsContact CB-CE 3.49Å; S727-R781 PolarHBondContact O-NH2 3.17Å |
| 728 | K | 73.2 | Confident | 83 | Confident | 187 Ų | 187 | 67.5 Ų | 67.5 | 81% | 0.813 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -96.1 | 141.2 | -176.8 | -64.1 | -177.5 | -176 | 174.5 | 0 | 111.1 | T726 C730 | T726-K728 PolarHBondContact O-N 2.93Å; K728-C730 PolarHBondContact O-N 2.87Å |
| 729 | A | 67.7 | Low | 82.7 | Confident | 24 Ų | 24 | 65.5 Ų | 65.5 | 20% | 0.198 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 124.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110 | K731 V782 | A729-K731 PolarHBondContact O-N 2.9Å; A729-K731 VanDerWaalsContact O-N 3.15Å; A729-V782 HydrophobicContact CB-CG1 3.92Å |
| 730 | C | 64.7 | Low | 82.7 | Confident | 71 Ų | 71 | 60.9 Ų | 60.9 | 48% | 0.48 | 31% | 0.313 | S | S | . | . | trans | -73.1 | 107.5 | 175.6 | -165.7 | 0 | 0 | 0 | 0 | 109.6 | K728 K732 | K728-C730 PolarHBondContact O-N 2.87Å; C730-K732 VanDerWaalsContact C-N 3.34Å | ||
| 731 | K | 68.3 | Low | 82.7 | Confident | 156 Ų | 156 | 60.9 Ų | 60.9 | 68% | 0.678 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -76.8 | -20.9 | -179 | -62.6 | -174.1 | 179.3 | -175.4 | 0 | 113.5 | A729 | A729-K731 PolarHBondContact O-N 2.9Å; A729-K731 VanDerWaalsContact O-N 3.15Å |
| 732 | K | 66.3 | Low | 82.5 | Confident | 176 Ų | 176 | 64 Ų | 64 | 77% | 0.765 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -99.6 | -19.4 | -169.7 | -68.7 | -174.3 | -179.8 | -179.4 | 0 | 114.1 | C730 K788 | C730-K732 VanDerWaalsContact C-N 3.34Å; K732-K788 WeakPolarHBondContact O-CD 3.5Å; K732-K788 VanDerWaalsContact O-CE 3.29Å; K732-K788 WeakPolarHBondContact O-CE 3.39Å; K732-K788 PolarHBondContact O-NZ 3.47Å |
| 733 | V | 71.8 | Confident | 82.3 | Confident | 90 Ų | 90 | 61 Ų | 61 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -125.3 | 154 | -173.3 | -173.2 | 0 | 0 | 0 | 0 | 109.6 | C735 | V733-C735 PolarHBondContact O-N 3.47Š|
| 734 | R | 77.9 | Confident | 82.5 | Confident | 98 Ų | 98 | 60 Ų | 60 | 37% | 0.37 | 30% | 0.302 | S | S | . | . | trans | -50.6 | 127 | 168.1 | -179.8 | 177.4 | 72.1 | -180 | 0.3 | 108.7 | E899 K900 L902 D904 | R734-E899 PolarHBondContact NH1-O 2.94Å; R734-K900 WeakPolarHBondContact CD-O 3.4Å; R734-L902 PolarHBondContact NH1-O 2.97Å; R734-D904 IonicContact NH2-OD2 3.71Å; R734-D904 PolarHBondContact NH2-OD2 2.71Å | ||
| 735 | C | 80.1 | Confident | 82.4 | Confident | 10 Ų | 10 | 60.6 Ų | 60.6 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | trans | -83.7 | 119.8 | 177.6 | -165.6 | 0 | 0 | 0 | 0 | 108.9 | V733 L738 T789 V794 | V733-C735 PolarHBondContact O-N 3.47Å; C735-L738 WeakPolarHBondContact SG-CD2 3.4Å; C735-T789 HydrophobicContact CB-CG2 4.42Å; C735-T789 PolarHBondContact N-OG1 2.91Å; C735-V794 HydrophobicContact CB-CG2 4Å | ||
| 736 | G | 85.9 | Confident | 82.2 | Confident | 19 Ų | 19 | 57.4 Ų | 57.4 | 20% | 0.196 | 29% | 0.292 | C | S | . | . | trans | -103.7 | -144.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L738 E797 N798 | G736-L738 PolarHBondContact O-N 2.9Å; G736-E797 VanDerWaalsContact CA-OE2 3.24Å; G736-E797 WeakPolarHBondContact CA-OE2 3.23Å; G736-N798 PolarHBondContact O-ND2 3.28Å | ||
| 737 | V | 89.3 | Confident | 82.4 | Confident | 10 Ų | 10 | 54 Ų | 54 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -61.6 | 121.9 | 171.2 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | V741 R742 R801 E905 | V737-V741 HydrophobicContact CG1-CB 4.06Å; V737-V741 HydrophobicContact CG1-CG1 3.92Å; V737-R742 HydrophobicContact CG1-CG 3.98Å; V737-R742 PolarHBondContact O-NE 2.83Å; V737-R742 PolarHBondContact O-NH2 2.87Å; V737-R801 HydrophobicContact CG1-CG 4.12Å; V737-R801 HydrophobicContact CG2-CG 3.78Å; V737-E905 WeakPolarHBondContact CG2-OE2 3.27Å |
| 738 | L | 90.9 | Very high | 83.2 | Confident | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | trans | -66.4 | 143.5 | -174.4 | -65.3 | 172.2 | 0 | 0 | 0 | 110.9 | C735 G736 M740 V741 R742 I779 V782 V794 N798 | C735-L738 WeakPolarHBondContact SG-CD2 3.4Å; G736-L738 PolarHBondContact O-N 2.9Å; L738-M740 VanDerWaalsContact C-N 3.25Å; L738-M740 HydrophobicContact CB-CG 4.09Å; L738-M740 HydrophobicContact CD1-CE 4.19Å; L738-M740 PolarHBondContact O-N 2.79Å; L738-V741 HydrophobicContact CB-CG2 4.16Å; L738-V741 WeakPolarHBondContact O-CB 3.35Å; L738-V741 PolarHBondContact O-N 3.48Å; L738-R742 PolarHBondContact O-N 2.77Å; L738-I779 HydrophobicContact CD1-CG1 4.23Å; L738-V782 HydrophobicContact CD1-CB 4.09Å; L738-V782 HydrophobicContact CD1-CG1 3.97Å; L738-V782 HydrophobicContact CD2-CG1 3.69Å; L738-V794 HydrophobicContact CD1-CG1 4.39Å; L738-N798 WeakPolarHBondContact CB-OD1 3.31Å; L738-N798 WeakPolarHBondContact CG-OD1 3.37Å; L738-N798 PolarHBondContact N-OD1 3.13Å | ||
| 739 | P | 88.7 | Confident | 83.9 | Confident | 80 Ų | 80 | 47.9 Ų | 47.9 | 52% | 0.519 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -53 | -42.6 | 178.7 | -28 | 35 | 0 | 0 | 0 | 113 | V741 R742 T743 | P739-V741 VanDerWaalsContact C-N 3.27Å; P739-V741 PolarHBondContact O-N 3.01Å; P739-R742 WeakPolarHBondContact O-CB 3.23Å; P739-R742 PolarHBondContact O-N 3.16Å; P739-R742 VanDerWaalsContact O-N 3.14Å; P739-T743 PolarHBondContact O-N 3.38Å; P739-T743 PolarHBondContact O-OG1 3.01Å |
| 740 | M | 92 | Very high | 84.8 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.2 | -32.9 | 178 | 62.5 | 177.3 | 114.1 | 0 | 0 | 113.7 | F724 S727 L738 Y744 L775 E778 V782 | F724-M740 HydrophobicContact CB-CB 4.25Å; F724-M740 HydrophobicContact CB-SD 4.24Å; F724-M740 HydrophobicContact CD1-CB 3.56Å; F724-M740 HydrophobicContact CE1-CB 4.18Å; F724-M740 WeakPolarHBondContact CE1-O 3.11Å; F724-M740 HydrophobicContact CG-CB 4.05Å; S727-M740 VanDerWaalsContact CB-CE 3.49Å; L738-M740 VanDerWaalsContact C-N 3.25Å; L738-M740 HydrophobicContact CB-CG 4.09Å; L738-M740 HydrophobicContact CD1-CE 4.19Å; L738-M740 PolarHBondContact O-N 2.79Å; M740-Y744 WeakPolarHBondContact O-CB 3.28Å; M740-Y744 PolarHBondContact O-N 3.4Å; M740-L775 HydrophobicContact CB-CD1 3.99Å; M740-L775 HydrophobicContact CG-CD1 3.64Å; M740-L775 HydrophobicContact SD-CD1 3.92Å; M740-E778 HydrophobicContact CE-CB 3.96Å; M740-E778 HydrophobicContact SD-CB 3.53Å; M740-E778 VanDerWaalsContact SD-CB 3.53Å; M740-E778 HydrophobicContact SD-CG 4.49Å; M740-V782 HydrophobicContact CE-CG2 3.73Å |
| 741 | V | 93.1 | Very high | 86 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.5 | -40.9 | 176.9 | 174.7 | 0 | 0 | 0 | 0 | 110.1 | V737 L738 P739 Y744 I745 L775 I779 N798 R801 | V737-V741 HydrophobicContact CG1-CB 4.06Å; V737-V741 HydrophobicContact CG1-CG1 3.92Å; L738-V741 HydrophobicContact CB-CG2 4.16Å; L738-V741 WeakPolarHBondContact O-CB 3.35Å; L738-V741 PolarHBondContact O-N 3.48Å; P739-V741 VanDerWaalsContact C-N 3.27Å; P739-V741 PolarHBondContact O-N 3.01Å; V741-Y744 PolarHBondContact O-N 2.91Å; V741-I745 HydrophobicContact CG1-CD1 3.93Å; V741-I745 VanDerWaalsContact O-CG1 3.27Å; V741-I745 WeakPolarHBondContact O-CG1 3.25Å; V741-I745 PolarHBondContact O-N 3.1Å; V741-L775 HydrophobicContact CG2-CD1 3.92Å; V741-L775 HydrophobicContact CG2-CD2 4.38Å; V741-L775 HydrophobicContact CG2-CG 4.33Å; V741-I779 HydrophobicContact CG2-CD1 3.81Å; V741-I779 HydrophobicContact CG2-CG1 3.99Å; V741-N798 HydrophobicContact CG2-CB 4.19Å; V741-N798 WeakPolarHBondContact CG2-OD1 3.41Å; V741-R801 HydrophobicContact CG1-CB 4.09Å |
| 742 | R | 90.2 | Very high | 86.7 | Confident | 93 Ų | 93 | 39.8 Ų | 39.8 | 35% | 0.351 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.8 | -49.2 | 174.4 | -59.6 | 178.9 | -170.8 | -92.5 | 1.5 | 111.5 | V737 L738 P739 Y744 I745 E746 E905 | V737-R742 HydrophobicContact CG1-CG 3.98Å; V737-R742 PolarHBondContact O-NE 2.83Å; V737-R742 PolarHBondContact O-NH2 2.87Å; L738-R742 PolarHBondContact O-N 2.77Å; P739-R742 WeakPolarHBondContact O-CB 3.23Å; P739-R742 PolarHBondContact O-N 3.16Å; P739-R742 VanDerWaalsContact O-N 3.14Å; R742-Y744 PolarHBondContact O-N 3.09Å; R742-I745 PolarHBondContact O-N 2.83Å; R742-E746 WeakPolarHBondContact O-CB 3.49Å; R742-E746 VanDerWaalsContact O-CG 3.31Å; R742-E746 WeakPolarHBondContact O-CG 3.4Å; R742-E746 PolarHBondContact O-N 2.74Å; R742-E905 IonicContact CZ-OE1 3.83Å; R742-E905 IonicContact CZ-OE2 3.07Å; R742-E905 VanDerWaalsContact CZ-OE2 3.3Å; R742-E905 IonicContact NH1-OE1 3.72Å; R742-E905 PolarHBondContact NH1-OE1 2.97Å; R742-E905 IonicContact NH1-OE2 2.84Å; R742-E905 PolarHBondContact NH1-OE2 2.83Å; R742-E905 IonicContact NH2-OE1 3.89Å; R742-E905 PolarHBondContact NH2-OE1 2.96Å; R742-E905 IonicContact NH2-OE2 3.32Å; R742-E905 PolarHBondContact NH2-OE2 3.42Å |
| 743 | T | 90.1 | Very high | 87.4 | Confident | 25 Ų | 25 | 34.4 Ų | 34.4 | 15% | 0.153 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.3 | -38.7 | 176.7 | -56.6 | 0 | 0 | 0 | 0 | 112.1 | M530 L720 F724 P739 F747 | M530-T743 HydrophobicContact CB-CG2 3.95Å; M530-T743 HydrophobicContact CG-CG2 3.45Å; M530-T743 VanDerWaalsContact CG-CG2 3.45Å; L720-T743 HydrophobicContact CD2-CG2 3.8Å; F724-T743 HydrophobicContact CE1-CG2 3.98Å; P739-T743 PolarHBondContact O-N 3.38Å; P739-T743 PolarHBondContact O-OG1 3.01Å; T743-F747 PolarHBondContact O-N 3.36Å |
| 744 | Y | 93.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -70.1 | -41.3 | 174.4 | 175.3 | -102.8 | 0 | 0 | 0 | 113.1 | M740 V741 R742 E746 F747 A748 H768 L771 V772 L775 L802 I805 | M740-Y744 WeakPolarHBondContact O-CB 3.28Å; M740-Y744 PolarHBondContact O-N 3.4Å; V741-Y744 PolarHBondContact O-N 2.91Å; R742-Y744 PolarHBondContact O-N 3.09Å; Y744-E746 VanDerWaalsContact C-N 3.32Å; Y744-E746 PolarHBondContact O-N 2.91Å; Y744-F747 HydrophobicContact CD2-CD1 4.47Å; Y744-F747 HydrophobicContact CE2-CD1 4.42Å; Y744-F747 WeakPolarHBondContact O-CB 3.42Å; Y744-F747 PolarHBondContact O-N 2.92Å; Y744-A748 HydrophobicContact CE1-CB 4.44Å; Y744-A748 WeakPolarHBondContact O-CB 3.44Å; Y744-A748 PolarHBondContact O-N 3.29Å; Y744-H768 AromaticContact CE2-ND1 3.68Å; Y744-H768 AromaticContact CZ-ND1 3.64Å; Y744-H768 PolarHBondContact OH-ND1 3.08Å; Y744-L771 HydrophobicContact CD2-CB 3.93Å; Y744-L771 HydrophobicContact CD2-CD1 4.37Å; Y744-L771 HydrophobicContact CE2-CB 3.82Å; Y744-L771 HydrophobicContact CE2-CD1 4.33Å; Y744-V772 HydrophobicContact CE1-CG2 4.04Å; Y744-V772 HydrophobicContact CE2-CG2 3.92Å; Y744-V772 VanDerWaalsContact CZ-CG2 3.41Å; Y744-V772 WeakPolarHBondContact OH-CG2 3.47Å; Y744-L775 HydrophobicContact CD1-CD2 3.66Å; Y744-L775 HydrophobicContact CE1-CD2 4.46Å; Y744-L775 HydrophobicContact CG-CD2 3.72Å; Y744-L802 HydrophobicContact CD1-CD1 4.1Å; Y744-L802 HydrophobicContact CE1-CD1 3.85Å; Y744-I805 HydrophobicContact CD1-CG2 4.38Å; Y744-I805 HydrophobicContact CE1-CG2 4Å |
| 745 | I | 91.9 | Very high | 88.8 | Confident | 11 Ų | 11 | 25.8 Ų | 25.8 | 6% | 0.056 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.3 | -46.8 | 176.9 | -69.8 | 163.2 | 0 | 0 | 0 | 110.2 | V741 R742 F747 A748 E749 R801 I805 | V741-I745 HydrophobicContact CG1-CD1 3.93Å; V741-I745 VanDerWaalsContact O-CG1 3.27Å; V741-I745 WeakPolarHBondContact O-CG1 3.25Å; V741-I745 PolarHBondContact O-N 3.1Å; R742-I745 PolarHBondContact O-N 2.83Å; I745-F747 PolarHBondContact O-N 3.38Å; I745-A748 PolarHBondContact O-N 2.71Å; I745-A748 VanDerWaalsContact O-N 3.11Å; I745-E749 HydrophobicContact CG2-CG 4.35Å; I745-E749 WeakPolarHBondContact O-CG 3.41Å; I745-E749 PolarHBondContact O-N 3.38Å; I745-R801 HydrophobicContact CD1-CB 4.04Å; I745-I805 HydrophobicContact CG1-CB 4.18Å; I745-I805 HydrophobicContact CG1-CG1 4.4Å; I745-I805 HydrophobicContact CG1-CG2 4.05Å; I745-I805 HydrophobicContact CG2-CD1 4.39Å |
| 746 | E | 87.3 | Confident | 89 | Confident | 53 Ų | 53 | 28.5 Ų | 28.5 | 25% | 0.248 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -53.4 | -51.1 | 173.3 | -78.7 | 177.9 | -171.9 | 0 | 0 | 111.9 | M530 L532 R742 Y744 A748 C750 | M530-E746 HydrophobicContact CE-CB 4.25Å; L532-E746 HydrophobicContact CB-CB 4.31Å; L532-E746 VanDerWaalsContact CB-CD 3.47Å; L532-E746 HydrophobicContact CB-CG 4.06Å; L532-E746 WeakPolarHBondContact CB-OE2 3.27Å; L532-E746 HydrophobicContact CD1-CB 4.25Å; L532-E746 HydrophobicContact CD2-CB 3.5Å; L532-E746 VanDerWaalsContact CD2-CB 3.5Å; L532-E746 HydrophobicContact CD2-CG 3.44Å; L532-E746 VanDerWaalsContact CD2-CG 3.44Å; L532-E746 HydrophobicContact CG-CB 4.17Å; L532-E746 HydrophobicContact CG-CG 4.23Å; R742-E746 WeakPolarHBondContact O-CB 3.49Å; R742-E746 VanDerWaalsContact O-CG 3.31Å; R742-E746 WeakPolarHBondContact O-CG 3.4Å; R742-E746 PolarHBondContact O-N 2.74Å; Y744-E746 VanDerWaalsContact C-N 3.32Å; Y744-E746 PolarHBondContact O-N 2.91Å; E746-A748 VanDerWaalsContact C-N 3.34Å; E746-A748 PolarHBondContact O-N 2.99Å; E746-C750 PolarHBondContact O-N 2.95Å; E746-C750 VanDerWaalsContact O-N 3.16Å; E746-C750 PolarHBondContact O-SG 2.85Å; E746-C750 VanDerWaalsContact O-SG 3.38Å |
| 747 | F | 91.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.9 | -45.1 | 174.1 | 172.4 | -95.2 | 0 | 0 | 0 | 112.3 | M530 I626 M629 L716 L720 T743 Y744 I745 S751 L764 H768 L771 | M530-F747 HydrophobicContact CE-CB 3.66Å; I626-F747 HydrophobicContact CD1-CD2 4.24Å; M629-F747 HydrophobicContact SD-CD2 4.35Å; M629-F747 HydrophobicContact SD-CE2 3.79Å; M629-F747 HydrophobicContact SD-CZ 4.41Å; L716-F747 HydrophobicContact CD2-CE2 4.38Å; L720-F747 HydrophobicContact CD1-CD2 3.7Å; L720-F747 HydrophobicContact CD1-CE2 4.11Å; L720-F747 HydrophobicContact CD1-CG 4.13Å; T743-F747 PolarHBondContact O-N 3.36Å; Y744-F747 HydrophobicContact CD2-CD1 4.47Å; Y744-F747 HydrophobicContact CE2-CD1 4.42Å; Y744-F747 WeakPolarHBondContact O-CB 3.42Å; Y744-F747 PolarHBondContact O-N 2.92Å; I745-F747 PolarHBondContact O-N 3.38Å; F747-S751 VanDerWaalsContact O-CB 3.23Å; F747-S751 WeakPolarHBondContact O-CB 3.44Å; F747-S751 PolarHBondContact O-N 2.99Å; F747-S751 PolarHBondContact O-OG 2.93Å; F747-L764 HydrophobicContact CE1-CD1 4.28Å; F747-L764 HydrophobicContact CZ-CD1 4.07Å; F747-H768 AromaticContact CE1-CE1 3.81Å; F747-L771 HydrophobicContact CD1-CD1 3.64Å; F747-L771 HydrophobicContact CE1-CD1 3.37Å; F747-L771 HydrophobicContact CE2-CD1 4.49Å; F747-L771 HydrophobicContact CG-CD1 4.33Å; F747-L771 HydrophobicContact CZ-CD1 3.84Å |
| 748 | A | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.9 | -42.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y744 I745 E746 S751 M752 I805 L809 | Y744-A748 HydrophobicContact CE1-CB 4.44Å; Y744-A748 WeakPolarHBondContact O-CB 3.44Å; Y744-A748 PolarHBondContact O-N 3.29Å; I745-A748 PolarHBondContact O-N 2.71Å; I745-A748 VanDerWaalsContact O-N 3.11Å; E746-A748 VanDerWaalsContact C-N 3.34Å; E746-A748 PolarHBondContact O-N 2.99Å; A748-S751 WeakPolarHBondContact CA-OG 3Å; A748-S751 PolarHBondContact O-OG 3.36Å; A748-S751 VanDerWaalsContact O-OG 3.09Å; A748-M752 VanDerWaalsContact O-CG 3.31Å; A748-M752 WeakPolarHBondContact O-CG 3.32Å; A748-M752 PolarHBondContact O-N 2.81Å; A748-M752 VanDerWaalsContact O-N 3.11Å; A748-I805 HydrophobicContact CB-CD1 3.93Å; A748-I805 HydrophobicContact CB-CG1 3.63Å; A748-L809 HydrophobicContact CB-CD1 4.13Å; A748-L809 HydrophobicContact CB-CD2 4.2Å; A748-L809 HydrophobicContact CB-CG 4.47Å |
| 749 | E | 88.1 | Confident | 88.6 | Confident | 79 Ų | 79 | 40.5 Ų | 40.5 | 37% | 0.369 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.2 | -43.4 | 179.1 | -69.6 | 176.4 | 167.1 | 0 | 0 | 111.6 | I745 T753 I805 R808 | I745-E749 HydrophobicContact CG2-CG 4.35Å; I745-E749 WeakPolarHBondContact O-CG 3.41Å; I745-E749 PolarHBondContact O-N 3.38Å; E749-T753 PolarHBondContact O-OG1 3.42Å; E749-I805 HydrophobicContact CG-CD1 3.8Å; E749-R808 IonicContact OE1-CZ 3.61Å; E749-R808 IonicContact OE1-NH1 3.32Å; E749-R808 PolarHBondContact OE1-NH1 3.28Å; E749-R808 IonicContact OE1-NH2 2.86Å; E749-R808 PolarHBondContact OE1-NH2 2.9Å |
| 750 | C | 86.5 | Confident | 88.7 | Confident | 8 Ų | 8 | 38.5 Ų | 38.5 | 5% | 0.054 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.2 | -46 | 175.7 | -68.1 | 0 | 0 | 0 | 0 | 112.2 | L540 I626 M629 E746 M752 T753 V754 | L540-C750 HydrophobicContact CD1-CB 3.84Å; I626-C750 HydrophobicContact CD1-CB 4.41Å; I626-C750 HydrophobicContact CG1-CB 4.49Å; M629-C750 HydrophobicContact CE-CB 3.91Å; E746-C750 PolarHBondContact O-N 2.95Å; E746-C750 VanDerWaalsContact O-N 3.16Å; E746-C750 PolarHBondContact O-SG 2.85Å; E746-C750 VanDerWaalsContact O-SG 3.38Å; C750-M752 PolarHBondContact O-N 2.83Å; C750-T753 PolarHBondContact O-N 3.41Å; C750-V754 WeakPolarHBondContact O-CG2 3.2Å; C750-V754 PolarHBondContact O-N 3.45Å |
| 751 | S | 89.4 | Confident | 88.7 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.8 | -35.8 | -175.8 | 56.3 | 0 | 0 | 0 | 0 | 113.1 | F747 A748 T753 V754 F755 H768 | F747-S751 VanDerWaalsContact O-CB 3.23Å; F747-S751 WeakPolarHBondContact O-CB 3.44Å; F747-S751 PolarHBondContact O-N 2.99Å; F747-S751 PolarHBondContact O-OG 2.93Å; A748-S751 WeakPolarHBondContact CA-OG 3Å; A748-S751 PolarHBondContact O-OG 3.36Å; A748-S751 VanDerWaalsContact O-OG 3.09Å; S751-T753 VanDerWaalsContact C-N 3.29Å; S751-T753 PolarHBondContact O-N 3.35Å; S751-V754 PolarHBondContact O-N 3.24Å; S751-F755 WeakPolarHBondContact O-CB 3.44Å; S751-F755 WeakPolarHBondContact O-CD2 3.35Å; S751-F755 PolarHBondContact O-N 3.13Å; S751-H768 PolarHBondContact OG-NE2 2.68Å |
| 752 | M | 83.2 | Confident | 88.7 | Confident | 73 Ų | 73 | 46.5 Ų | 46.5 | 36% | 0.36 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.2 | -43.7 | 172.5 | -79.1 | -174.8 | 74.3 | 0 | 0 | 112.4 | A748 C750 A756 R808 L809 | A748-M752 VanDerWaalsContact O-CG 3.31Å; A748-M752 WeakPolarHBondContact O-CG 3.32Å; A748-M752 PolarHBondContact O-N 2.81Å; A748-M752 VanDerWaalsContact O-N 3.11Å; C750-M752 PolarHBondContact O-N 2.83Å; M752-A756 WeakPolarHBondContact O-CB 3.47Å; M752-A756 PolarHBondContact O-N 3.21Å; M752-R808 WeakPolarHBondContact CE-O 3.49Å; M752-L809 HydrophobicContact CG-CD2 3.34Å; M752-L809 HydrophobicContact CG-CG 4.48Å; M752-L809 HydrophobicContact SD-CB 4.42Å; M752-L809 HydrophobicContact SD-CD2 3.48Å; M752-L809 WeakPolarHBondContact SD-CD2 3.27Å; M752-L809 HydrophobicContact SD-CG 4.03Å |
| 753 | T | 82.6 | Confident | 88.9 | Confident | 63 Ų | 63 | 43 Ų | 43 | 39% | 0.387 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.9 | -46.3 | -178.1 | -56.5 | 0 | 0 | 0 | 0 | 110.6 | E749 C750 S751 | E749-T753 PolarHBondContact O-OG1 3.42Å; C750-T753 PolarHBondContact O-N 3.41Å; S751-T753 VanDerWaalsContact C-N 3.29Å; S751-T753 PolarHBondContact O-N 3.35Å |
| 754 | V | 87.1 | Confident | 89.1 | Confident | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73 | -42 | -174.2 | 171.3 | 0 | 0 | 0 | 0 | 112.4 | L540 M629 P630 I633 C750 S751 | L540-V754 HydrophobicContact CB-CG2 4.05Å; L540-V754 HydrophobicContact CD1-CG2 3.8Å; L540-V754 HydrophobicContact CD2-CG2 4.21Å; L540-V754 HydrophobicContact CG-CG2 4.24Å; M629-V754 HydrophobicContact CB-CG1 3.98Å; P630-V754 HydrophobicContact CB-CG1 4.4Å; I633-V754 HydrophobicContact CB-CG1 4.45Å; I633-V754 HydrophobicContact CG1-CG1 3.59Å; C750-V754 WeakPolarHBondContact O-CG2 3.2Å; C750-V754 PolarHBondContact O-N 3.45Å; S751-V754 PolarHBondContact O-N 3.24Å |
| 755 | F | 91.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -89.7 | -4.1 | -174.4 | -76.1 | -106.7 | 0 | 0 | 0 | 114.2 | M629 L632 I633 F713 S751 K757 S758 R760 L761 L764 | M629-F755 HydrophobicContact CB-CE2 3.89Å; M629-F755 HydrophobicContact CG-CE2 4Å; M629-F755 HydrophobicContact SD-CE2 4.05Å; L632-F755 HydrophobicContact CD2-CZ 4.29Å; I633-F755 HydrophobicContact CD1-CD1 3.56Å; I633-F755 HydrophobicContact CD1-CD2 4.31Å; I633-F755 HydrophobicContact CD1-CE1 3.49Å; I633-F755 VanDerWaalsContact CD1-CE1 3.49Å; I633-F755 HydrophobicContact CD1-CE2 4.27Å; I633-F755 HydrophobicContact CD1-CG 3.98Å; I633-F755 HydrophobicContact CD1-CZ 3.87Å; I633-F755 HydrophobicContact CG1-CD2 4.49Å; I633-F755 HydrophobicContact CG1-CG 4.5Å; F713-F755 HydrophobicContact CD2-CZ 4.49Å; F713-F755 HydrophobicContact CE2-CE2 4.39Å; F713-F755 HydrophobicContact CE2-CZ 4.03Å; F713-F755 HydrophobicContact CZ-CZ 4.25Å; S751-F755 WeakPolarHBondContact O-CB 3.44Å; S751-F755 WeakPolarHBondContact O-CD2 3.35Å; S751-F755 PolarHBondContact O-N 3.13Å; F755-K757 PolarHBondContact O-N 2.89Å; F755-S758 PolarHBondContact O-N 2.95Å; F755-R760 HydrophobicContact CD1-CB 4.32Å; F755-R760 HydrophobicContact CE1-CB 4.05Å; F755-L761 HydrophobicContact CB-CD2 3.88Å; F755-L761 WeakPolarHBondContact O-CD2 3.48Å; F755-L761 WeakPolarHBondContact O-CG 3.35Å; F755-L764 HydrophobicContact CB-CD2 3.49Å; F755-L764 VanDerWaalsContact CB-CD2 3.49Å; F755-L764 HydrophobicContact CD1-CB 3.72Å; F755-L764 HydrophobicContact CD1-CD2 4.18Å; F755-L764 HydrophobicContact CD1-CG 4.49Å; F755-L764 HydrophobicContact CD2-CB 4.48Å; F755-L764 HydrophobicContact CD2-CD1 4.5Å; F755-L764 HydrophobicContact CD2-CD2 3.83Å; F755-L764 HydrophobicContact CD2-CG 4.48Å; F755-L764 HydrophobicContact CE1-CB 3.95Å; F755-L764 HydrophobicContact CG-CB 4.02Å; F755-L764 HydrophobicContact CG-CD2 3.58Å; F755-L764 HydrophobicContact CG-CG 4.3Å; F755-L764 HydrophobicContact CZ-CB 4.41Å |
| 756 | A | 83.2 | Confident | 89.3 | Confident | 67 Ų | 67 | 50.4 Ų | 50.4 | 55% | 0.554 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | -33.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | M752 | M752-A756 WeakPolarHBondContact O-CB 3.47Å; M752-A756 PolarHBondContact O-N 3.21Å |
| 757 | K | 81.8 | Confident | 89.7 | Confident | 209 Ų | 209 | 48 Ų | 48 | 91% | 0.909 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | 12.5 | -178.4 | -61.5 | -179.5 | -178.5 | 175.6 | 0 | 113.4 | F755 | F755-K757 PolarHBondContact O-N 2.89Š|
| 758 | S | 88.4 | Confident | 89.9 | Confident | 16 Ų | 16 | 48 Ų | 48 | 11% | 0.112 | 25% | 0.25 | C | S | . | . | trans | -91.7 | 140.7 | -173.4 | -177 | 0 | 0 | 0 | 0 | 112.7 | I633 F755 R760 L761 | I633-S758 VanDerWaalsContact CD1-OG 3.26Å; I633-S758 WeakPolarHBondContact CD1-OG 3.46Å; F755-S758 PolarHBondContact O-N 2.95Å; S758-R760 PolarHBondContact O-N 2.87Å; S758-R760 WeakPolarHBondContact OG-CB 3.18Å; S758-R760 WeakPolarHBondContact OG-CG 3.41Å; S758-R760 PolarHBondContact OG-N 3.37Å; S758-L761 WeakPolarHBondContact O-CD1 3.46Å; S758-L761 VanDerWaalsContact O-CG 3.26Å; S758-L761 WeakPolarHBondContact O-CG 3.21Å; S758-L761 PolarHBondContact O-N 2.89Å | ||
| 759 | S | 88.3 | Confident | 90.2 | Very high | 63 Ų | 63 | 51.6 Ų | 51.6 | 44% | 0.441 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -21.6 | 164 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | E640 L761 | E640-S759 VanDerWaalsContact CD-OG 3.24Å; E640-S759 VanDerWaalsContact OE1-CB 3.32Å; E640-S759 WeakPolarHBondContact OE1-CB 3.37Å; E640-S759 PolarHBondContact OE1-OG 3.49Å; E640-S759 PolarHBondContact OE2-OG 3.36Å; S759-L761 PolarHBondContact O-N 3.23Å |
| 760 | R | 92.1 | Very high | 90.6 | Very high | 39 Ų | 39 | 50.7 Ų | 50.7 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 8.3 | -176.4 | -46.7 | -66 | -85.5 | 121.7 | 25.5 | 112.8 | I633 S636 F755 S758 V762 D763 L764 | I633-R760 HydrophobicContact CD1-CB 4.15Å; I633-R760 HydrophobicContact CD1-CG 4.38Å; S636-R760 WeakPolarHBondContact OG-CD 3.32Å; S636-R760 PolarHBondContact OG-NE 3.43Å; S636-R760 VanDerWaalsContact OG-NE 3.11Å; F755-R760 HydrophobicContact CD1-CB 4.32Å; F755-R760 HydrophobicContact CE1-CB 4.05Å; S758-R760 PolarHBondContact O-N 2.87Å; S758-R760 WeakPolarHBondContact OG-CB 3.18Å; S758-R760 WeakPolarHBondContact OG-CG 3.41Å; S758-R760 PolarHBondContact OG-N 3.37Å; R760-V762 PolarHBondContact O-N 3.41Å; R760-V762 VanDerWaalsContact O-N 3.14Å; R760-D763 IonicContact CZ-OD2 3.08Å; R760-D763 IonicContact NE-OD2 2.85Å; R760-D763 IonicContact NH1-OD2 2.83Å; R760-D763 PolarHBondContact NH1-OD2 3.41Å; R760-D763 IonicContact NH2-OD2 3.6Å; R760-D763 PolarHBondContact NH2-OD2 2.76Å; R760-D763 PolarHBondContact O-N 2.94Å; R760-L764 PolarHBondContact O-N 2.77Å |
| 761 | L | 91.8 | Very high | 91.1 | Very high | 72 Ų | 72 | 50.3 Ų | 50.3 | 38% | 0.377 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -50.1 | -37.3 | 175.1 | -84.1 | 168.5 | 0 | 0 | 0 | 112.5 | F755 S758 S759 D763 L764 E765 | F755-L761 HydrophobicContact CB-CD2 3.88Å; F755-L761 WeakPolarHBondContact O-CD2 3.48Å; F755-L761 WeakPolarHBondContact O-CG 3.35Å; S758-L761 WeakPolarHBondContact O-CD1 3.46Å; S758-L761 VanDerWaalsContact O-CG 3.26Å; S758-L761 WeakPolarHBondContact O-CG 3.21Å; S758-L761 PolarHBondContact O-N 2.89Å; S759-L761 PolarHBondContact O-N 3.23Å; L761-D763 VanDerWaalsContact C-N 3.3Å; L761-D763 PolarHBondContact O-N 2.94Å; L761-L764 CarbonylContact O-C 3.27Å; L761-L764 WeakPolarHBondContact O-CA 3.13Å; L761-L764 WeakPolarHBondContact O-CB 3.39Å; L761-L764 PolarHBondContact O-N 3.16Å; L761-E765 WeakPolarHBondContact O-CG 3.42Å; L761-E765 PolarHBondContact O-N 2.98Å |
| 762 | V | 92.1 | Very high | 91.5 | Very high | 99 Ų | 99 | 50.3 Ų | 50.3 | 60% | 0.6 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -58.8 | -38 | 178.4 | -177.7 | 0 | 0 | 0 | 0 | 112.7 | R760 R766 | R760-V762 PolarHBondContact O-N 3.41Å; R760-V762 VanDerWaalsContact O-N 3.14Å; V762-R766 PolarHBondContact O-N 2.8Å; V762-R766 VanDerWaalsContact O-N 3.17Å |
| 763 | D | 93.9 | Very high | 92.2 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 11% | 0.107 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.2 | -36.2 | 176.3 | -68 | -58.1 | 0 | 0 | 0 | 111.1 | K710 F713 R760 L761 R766 A767 | K710-D763 WeakPolarHBondContact CE-OD1 3.29Å; K710-D763 IonicContact NZ-OD1 3.62Å; K710-D763 PolarHBondContact NZ-OD1 2.76Å; K710-D763 IonicContact NZ-OD2 2.89Å; F713-D763 HydrophobicContact CE1-CB 4.46Å; R760-D763 IonicContact CZ-OD2 3.08Å; R760-D763 IonicContact NE-OD2 2.85Å; R760-D763 IonicContact NH1-OD2 2.83Å; R760-D763 PolarHBondContact NH1-OD2 3.41Å; R760-D763 IonicContact NH2-OD2 3.6Å; R760-D763 PolarHBondContact NH2-OD2 2.76Å; R760-D763 PolarHBondContact O-N 2.94Å; L761-D763 VanDerWaalsContact C-N 3.3Å; L761-D763 PolarHBondContact O-N 2.94Å; D763-R766 PolarHBondContact O-N 2.82Å; D763-A767 PolarHBondContact O-N 2.76Å |
| 764 | L | 94.2 | Very high | 92.9 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.2 | -42.2 | 173.9 | 177.9 | 61.4 | 0 | 0 | 0 | 111.7 | F713 F747 F755 R760 L761 R766 A767 H768 | F713-L764 HydrophobicContact CZ-CD1 4.43Å; F747-L764 HydrophobicContact CE1-CD1 4.28Å; F747-L764 HydrophobicContact CZ-CD1 4.07Å; F755-L764 HydrophobicContact CB-CD2 3.49Å; F755-L764 VanDerWaalsContact CB-CD2 3.49Å; F755-L764 HydrophobicContact CD1-CB 3.72Å; F755-L764 HydrophobicContact CD1-CD2 4.18Å; F755-L764 HydrophobicContact CD1-CG 4.49Å; F755-L764 HydrophobicContact CD2-CB 4.48Å; F755-L764 HydrophobicContact CD2-CD1 4.5Å; F755-L764 HydrophobicContact CD2-CD2 3.83Å; F755-L764 HydrophobicContact CD2-CG 4.48Å; F755-L764 HydrophobicContact CE1-CB 3.95Å; F755-L764 HydrophobicContact CG-CB 4.02Å; F755-L764 HydrophobicContact CG-CD2 3.58Å; F755-L764 HydrophobicContact CG-CG 4.3Å; F755-L764 HydrophobicContact CZ-CB 4.41Å; R760-L764 PolarHBondContact O-N 2.77Å; L761-L764 CarbonylContact O-C 3.27Å; L761-L764 WeakPolarHBondContact O-CA 3.13Å; L761-L764 WeakPolarHBondContact O-CB 3.39Å; L761-L764 PolarHBondContact O-N 3.16Å; L764-R766 VanDerWaalsContact C-N 3.26Å; L764-R766 PolarHBondContact O-N 2.91Å; L764-A767 WeakPolarHBondContact O-CB 3.43Å; L764-A767 PolarHBondContact O-N 2.85Å; L764-A767 VanDerWaalsContact O-N 3.14Å; L764-H768 PolarHBondContact O-CD2 2.84Å; L764-H768 PolarHBondContact O-N 3.19Å |
| 765 | E | 94.5 | Very high | 93.4 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 22% | 0.22 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.3 | -43.1 | 175.1 | -57.3 | -150.9 | 115.2 | 0 | 0 | 111.8 | L761 H768 R769 M811 S813 | L761-E765 WeakPolarHBondContact O-CG 3.42Å; L761-E765 PolarHBondContact O-N 2.98Å; E765-H768 PolarHBondContact O-N 3.44Å; E765-R769 WeakPolarHBondContact O-CG 3.49Å; E765-R769 PolarHBondContact O-N 2.91Å; E765-R769 IonicContact OE2-NH1 3.45Å; E765-M811 VanDerWaalsContact CA-CE 3.49Å; E765-M811 HydrophobicContact CB-CE 3.89Å; E765-M811 HydrophobicContact CG-CE 3.52Å; E765-S813 PolarHBondContact OE1-OG 3.49Å; E765-S813 PolarHBondContact OE2-OG 3.27Å |
| 766 | R | 95.6 | Very high | 93.7 | Very high | 140 Ų | 140 | 50.3 Ų | 50.3 | 53% | 0.528 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.1 | -46.6 | 175.5 | 179.7 | 179.4 | 173.3 | 168.8 | -1.5 | 111.3 | V762 D763 L764 H768 R769 E770 | V762-R766 PolarHBondContact O-N 2.8Å; V762-R766 VanDerWaalsContact O-N 3.17Å; D763-R766 PolarHBondContact O-N 2.82Å; L764-R766 VanDerWaalsContact C-N 3.26Å; L764-R766 PolarHBondContact O-N 2.91Å; R766-H768 PolarHBondContact O-N 3.47Å; R766-R769 PolarHBondContact O-N 3.3Å; R766-E770 WeakPolarHBondContact CG-OE1 3.34Å; R766-E770 IonicContact CZ-OE1 3.68Å; R766-E770 IonicContact NE-OE1 3.33Å; R766-E770 PolarHBondContact NE-OE1 3.22Å; R766-E770 IonicContact NH2-OE1 3Å; R766-E770 WeakPolarHBondContact O-CG 3.27Å; R766-E770 PolarHBondContact O-N 2.91Å; R766-E770 VanDerWaalsContact O-N 3.08Å |
| 767 | A | 96.2 | Very high | 94.3 | Very high | 3 Ų | 3 | 51 Ų | 51 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.1 | -46.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F713 V717 D763 L764 R769 E770 L771 | F713-A767 HydrophobicContact CE1-CB 3.95Å; F713-A767 HydrophobicContact CZ-CB 3.75Å; V717-A767 HydrophobicContact CG1-CB 4.39Å; V717-A767 HydrophobicContact CG2-CB 3.61Å; D763-A767 PolarHBondContact O-N 2.76Å; L764-A767 WeakPolarHBondContact O-CB 3.43Å; L764-A767 PolarHBondContact O-N 2.85Å; L764-A767 VanDerWaalsContact O-N 3.14Å; A767-R769 PolarHBondContact O-N 2.95Å; A767-E770 PolarHBondContact O-N 2.91Å; A767-L771 WeakPolarHBondContact O-CB 3.16Å; A767-L771 VanDerWaalsContact O-CG 3.25Å; A767-L771 WeakPolarHBondContact O-CG 3.25Å; A767-L771 PolarHBondContact O-N 2.85Å |
| 768 | H | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 176 | -81.4 | -70.2 | 0 | 0 | 0 | 112.8 | Y744 F747 S751 L764 E765 R766 E770 L771 V772 M811 L814 | Y744-H768 AromaticContact CE2-ND1 3.68Å; Y744-H768 AromaticContact CZ-ND1 3.64Å; Y744-H768 PolarHBondContact OH-ND1 3.08Å; F747-H768 AromaticContact CE1-CE1 3.81Å; S751-H768 PolarHBondContact OG-NE2 2.68Å; L764-H768 PolarHBondContact O-CD2 2.84Å; L764-H768 PolarHBondContact O-N 3.19Å; E765-H768 PolarHBondContact O-N 3.44Å; R766-H768 PolarHBondContact O-N 3.47Å; H768-E770 VanDerWaalsContact C-N 3.29Å; H768-E770 PolarHBondContact O-N 3.33Å; H768-L771 PolarHBondContact O-N 2.85Å; H768-V772 VanDerWaalsContact O-CB 3.3Å; H768-V772 WeakPolarHBondContact O-CB 3.36Å; H768-V772 WeakPolarHBondContact O-CG2 3.48Å; H768-V772 PolarHBondContact O-N 3.37Å; H768-M811 VanDerWaalsContact CD2-SD 3.58Å; H768-L814 HydrophobicContact CB-CD1 3.81Å; H768-L814 HydrophobicContact CB-CD2 4Å; H768-L814 HydrophobicContact CB-CG 4.42Å |
| 769 | R | 96.7 | Very high | 95.4 | Very high | 74 Ų | 74 | 41.2 Ų | 41.2 | 28% | 0.279 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.8 | -42.3 | 177.1 | -74 | -170.6 | -59.4 | -94.8 | 6.7 | 111.8 | E765 R766 A767 R773 S813 L814 Y817 | E765-R769 WeakPolarHBondContact O-CG 3.49Å; E765-R769 PolarHBondContact O-N 2.91Å; E765-R769 IonicContact OE2-NH1 3.45Å; R766-R769 PolarHBondContact O-N 3.3Å; A767-R769 PolarHBondContact O-N 2.95Å; R769-R773 VanDerWaalsContact O-CB 3.23Å; R769-R773 WeakPolarHBondContact O-CB 3.35Å; R769-R773 PolarHBondContact O-N 3.17Å; R769-S813 VanDerWaalsContact NH1-CB 3.34Å; R769-S813 PolarHBondContact NH1-OG 3.4Å; R769-L814 HydrophobicContact CB-CD2 4.44Å; R769-L814 HydrophobicContact CG-CD2 3.64Å; R769-Y817 HydrophobicContact CB-CE2 4.3Å; R769-Y817 HydrophobicContact CG-CE2 4.11Å |
| 770 | E | 97.6 | Very high | 95.7 | Very high | 61 Ų | 61 | 40.2 Ų | 40.2 | 29% | 0.285 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -68.4 | -45.6 | 178.9 | -68.6 | 179.3 | -161.9 | 0 | 0 | 111.8 | I721 R766 A767 H768 C774 | I721-E770 HydrophobicContact CD1-CB 4.25Å; R766-E770 WeakPolarHBondContact CG-OE1 3.34Å; R766-E770 IonicContact CZ-OE1 3.68Å; R766-E770 IonicContact NE-OE1 3.33Å; R766-E770 PolarHBondContact NE-OE1 3.22Å; R766-E770 IonicContact NH2-OE1 3Å; R766-E770 WeakPolarHBondContact O-CG 3.27Å; R766-E770 PolarHBondContact O-N 2.91Å; R766-E770 VanDerWaalsContact O-N 3.08Å; A767-E770 PolarHBondContact O-N 2.91Å; H768-E770 VanDerWaalsContact C-N 3.29Å; H768-E770 PolarHBondContact O-N 3.33Å; E770-C774 WeakPolarHBondContact O-CB 3.43Å; E770-C774 PolarHBondContact O-N 3.2Å; E770-C774 VanDerWaalsContact O-N 3.14Å |
| 771 | L | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.3 | -47.9 | 179.5 | -69.9 | 169 | 0 | 0 | 0 | 112.3 | V717 L720 I721 F724 Y744 F747 A767 H768 C774 L775 | V717-L771 HydrophobicContact CG1-CD2 4.26Å; V717-L771 HydrophobicContact CG1-CG 4.18Å; L720-L771 HydrophobicContact CB-CD2 3.58Å; L720-L771 HydrophobicContact CD1-CD1 4.29Å; L720-L771 HydrophobicContact CD1-CD2 4.23Å; I721-L771 HydrophobicContact CG1-CD2 3.94Å; F724-L771 HydrophobicContact CD2-CD2 4.47Å; F724-L771 HydrophobicContact CE2-CB 4.31Å; F724-L771 HydrophobicContact CE2-CD2 3.71Å; F724-L771 HydrophobicContact CZ-CD2 4.24Å; Y744-L771 HydrophobicContact CD2-CB 3.93Å; Y744-L771 HydrophobicContact CD2-CD1 4.37Å; Y744-L771 HydrophobicContact CE2-CB 3.82Å; Y744-L771 HydrophobicContact CE2-CD1 4.33Å; F747-L771 HydrophobicContact CD1-CD1 3.64Å; F747-L771 HydrophobicContact CE1-CD1 3.37Å; F747-L771 HydrophobicContact CE2-CD1 4.49Å; F747-L771 HydrophobicContact CG-CD1 4.33Å; F747-L771 HydrophobicContact CZ-CD1 3.84Å; A767-L771 WeakPolarHBondContact O-CB 3.16Å; A767-L771 VanDerWaalsContact O-CG 3.25Å; A767-L771 WeakPolarHBondContact O-CG 3.25Å; A767-L771 PolarHBondContact O-N 2.85Å; H768-L771 PolarHBondContact O-N 2.85Å; L771-C774 PolarHBondContact O-N 3.2Å; L771-L775 VanDerWaalsContact O-CB 3.22Å; L771-L775 WeakPolarHBondContact O-CB 3.37Å; L771-L775 PolarHBondContact O-N 3.05Å |
| 772 | V | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.1 | -44.9 | -179.1 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | Y744 H768 C774 L775 M776 L806 Y817 | Y744-V772 HydrophobicContact CE1-CG2 4.04Å; Y744-V772 HydrophobicContact CE2-CG2 3.92Å; Y744-V772 VanDerWaalsContact CZ-CG2 3.41Å; Y744-V772 WeakPolarHBondContact OH-CG2 3.47Å; H768-V772 VanDerWaalsContact O-CB 3.3Å; H768-V772 WeakPolarHBondContact O-CB 3.36Å; H768-V772 WeakPolarHBondContact O-CG2 3.48Å; H768-V772 PolarHBondContact O-N 3.37Å; V772-C774 VanDerWaalsContact C-N 3.32Å; V772-C774 PolarHBondContact O-N 2.82Å; V772-L775 PolarHBondContact O-N 3.29Å; V772-M776 HydrophobicContact CG1-CG 4.22Å; V772-M776 HydrophobicContact CG1-SD 3.83Å; V772-M776 VanDerWaalsContact O-CG 3.29Å; V772-M776 WeakPolarHBondContact O-CG 3.33Å; V772-M776 PolarHBondContact O-N 3Å; V772-L806 HydrophobicContact CG1-CD1 4.36Å; V772-L806 HydrophobicContact CG1-CD2 4.45Å; V772-L806 HydrophobicContact CG2-CD2 3.86Å; V772-Y817 HydrophobicContact CG1-CD1 3.97Å; V772-Y817 HydrophobicContact CG1-CG 3.94Å |
| 773 | R | 97.5 | Very high | 95.9 | Very high | 125 Ų | 125 | 33.1 Ų | 33.1 | 47% | 0.472 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -57 | -47.2 | 176.1 | -176.1 | -170.4 | -62.9 | 122.2 | -8.5 | 111.6 | R769 T777 Y817 | R769-R773 VanDerWaalsContact O-CB 3.23Å; R769-R773 WeakPolarHBondContact O-CB 3.35Å; R769-R773 PolarHBondContact O-N 3.17Å; R773-T777 PolarHBondContact O-N 3.39Å; R773-T777 PolarHBondContact O-OG1 2.91Å; R773-Y817 HydrophobicContact CB-CE1 3.93Å; R773-Y817 HydrophobicContact CG-CE1 4.38Å; R773-Y817 PolarHBondContact NE-OH 3.05Å; R773-Y817 PolarHBondContact NH2-OH 3.14Å |
| 774 | C | 97.5 | Very high | 95.8 | Very high | 14 Ų | 14 | 36.8 Ų | 36.8 | 10% | 0.095 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63 | -46.2 | 176.9 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | I721 E770 L771 V772 M776 T777 E778 | I721-C774 HydrophobicContact CG1-CB 4.48Å; E770-C774 WeakPolarHBondContact O-CB 3.43Å; E770-C774 PolarHBondContact O-N 3.2Å; E770-C774 VanDerWaalsContact O-N 3.14Å; L771-C774 PolarHBondContact O-N 3.2Å; V772-C774 VanDerWaalsContact C-N 3.32Å; V772-C774 PolarHBondContact O-N 2.82Å; C774-M776 PolarHBondContact O-N 3.37Å; C774-T777 WeakPolarHBondContact O-CB 3.3Å; C774-T777 PolarHBondContact O-N 3.35Å; C774-E778 WeakPolarHBondContact O-CG 3.17Å; C774-E778 PolarHBondContact O-N 2.91Å |
| 775 | L | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.1 | -46 | -177.5 | -173.8 | 66.5 | 0 | 0 | 0 | 111.9 | F724 M740 V741 Y744 L771 V772 T777 E778 I779 L802 | F724-L775 HydrophobicContact CD2-CB 4.4Å; F724-L775 HydrophobicContact CD2-CD1 4.27Å; F724-L775 HydrophobicContact CE2-CD1 4.41Å; M740-L775 HydrophobicContact CB-CD1 3.99Å; M740-L775 HydrophobicContact CG-CD1 3.64Å; M740-L775 HydrophobicContact SD-CD1 3.92Å; V741-L775 HydrophobicContact CG2-CD1 3.92Å; V741-L775 HydrophobicContact CG2-CD2 4.38Å; V741-L775 HydrophobicContact CG2-CG 4.33Å; Y744-L775 HydrophobicContact CD1-CD2 3.66Å; Y744-L775 HydrophobicContact CE1-CD2 4.46Å; Y744-L775 HydrophobicContact CG-CD2 3.72Å; L771-L775 VanDerWaalsContact O-CB 3.22Å; L771-L775 WeakPolarHBondContact O-CB 3.37Å; L771-L775 PolarHBondContact O-N 3.05Å; V772-L775 PolarHBondContact O-N 3.29Å; L775-T777 PolarHBondContact O-N 3.02Å; L775-E778 PolarHBondContact O-N 2.98Å; L775-I779 HydrophobicContact CG-CD1 4.02Å; L775-I779 VanDerWaalsContact O-CG1 3.24Å; L775-I779 WeakPolarHBondContact O-CG1 3.01Å; L775-I779 PolarHBondContact O-N 3.26Å; L775-L802 HydrophobicContact CD2-CD1 3.92Å |
| 776 | M | 97.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.02 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62 | -43.6 | 178.1 | -65.9 | 178.1 | 68.4 | 0 | 0 | 111.8 | V772 C774 E778 I779 D780 Y799 L802 Y817 D820 A821 | V772-M776 HydrophobicContact CG1-CG 4.22Å; V772-M776 HydrophobicContact CG1-SD 3.83Å; V772-M776 VanDerWaalsContact O-CG 3.29Å; V772-M776 WeakPolarHBondContact O-CG 3.33Å; V772-M776 PolarHBondContact O-N 3Å; C774-M776 PolarHBondContact O-N 3.37Å; M776-E778 VanDerWaalsContact C-N 3.31Å; M776-E778 PolarHBondContact O-N 3.49Å; M776-I779 PolarHBondContact O-N 3.14Å; M776-D780 PolarHBondContact O-N 2.85Å; M776-Y799 HydrophobicContact CB-CE1 4.35Å; M776-Y799 HydrophobicContact CE-CE1 3.93Å; M776-Y799 HydrophobicContact CG-CE1 4.02Å; M776-Y799 PolarHBondContact O-OH 2.88Å; M776-L802 HydrophobicContact CG-CD2 3.67Å; M776-L802 HydrophobicContact SD-CD2 4.41Å; M776-Y817 HydrophobicContact SD-CD1 3.88Å; M776-D820 HydrophobicContact CE-CB 3.96Å; M776-D820 VanDerWaalsContact CE-OD2 3.32Å; M776-D820 WeakPolarHBondContact CE-OD2 3.25Å; M776-A821 HydrophobicContact CE-CB 4.19Å |
| 777 | T | 96.9 | Very high | 94.8 | Very high | 82 Ų | 82 | 42.1 Ų | 42.1 | 50% | 0.503 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.8 | -42.8 | 176.1 | -54 | 0 | 0 | 0 | 0 | 111.5 | R773 C774 L775 R781 | R773-T777 PolarHBondContact O-N 3.39Å; R773-T777 PolarHBondContact O-OG1 2.91Å; C774-T777 WeakPolarHBondContact O-CB 3.3Å; C774-T777 PolarHBondContact O-N 3.35Å; L775-T777 PolarHBondContact O-N 3.02Å; T777-R781 PolarHBondContact O-N 2.95Å; T777-R781 VanDerWaalsContact O-N 3.08Å |
| 778 | E | 95.5 | Very high | 94.2 | Very high | 19 Ų | 19 | 47.9 Ų | 47.9 | 9% | 0.089 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -74.6 | -33.1 | -179.4 | -67.7 | -58.3 | 129.4 | 0 | 0 | 113.1 | K725 M740 C774 L775 M776 R781 V782 | K725-E778 HydrophobicContact CG-CG 4.32Å; M740-E778 HydrophobicContact CE-CB 3.96Å; M740-E778 HydrophobicContact SD-CB 3.53Å; M740-E778 VanDerWaalsContact SD-CB 3.53Å; M740-E778 HydrophobicContact SD-CG 4.49Å; C774-E778 WeakPolarHBondContact O-CG 3.17Å; C774-E778 PolarHBondContact O-N 2.91Å; L775-E778 PolarHBondContact O-N 2.98Å; M776-E778 VanDerWaalsContact C-N 3.31Å; M776-E778 PolarHBondContact O-N 3.49Å; E778-R781 PolarHBondContact O-N 2.68Å; E778-R781 IonicContact OE1-NE 2.71Å; E778-R781 IonicContact OE2-CZ 3.75Å; E778-R781 IonicContact OE2-NE 2.68Å; E778-R781 PolarHBondContact OE2-NE 3.46Å; E778-R781 IonicContact OE2-NH2 3.57Å; E778-R781 PolarHBondContact OE2-NH2 3.23Å; E778-V782 WeakPolarHBondContact O-CG2 3.48Å; E778-V782 PolarHBondContact O-N 2.85Å |
| 779 | I | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.5 | -49.8 | 171.3 | -72.7 | 164 | 0 | 0 | 0 | 109.8 | L738 V741 L775 M776 R781 V782 A783 N798 Y799 L802 | L738-I779 HydrophobicContact CD1-CG1 4.23Å; V741-I779 HydrophobicContact CG2-CD1 3.81Å; V741-I779 HydrophobicContact CG2-CG1 3.99Å; L775-I779 HydrophobicContact CG-CD1 4.02Å; L775-I779 VanDerWaalsContact O-CG1 3.24Å; L775-I779 WeakPolarHBondContact O-CG1 3.01Å; L775-I779 PolarHBondContact O-N 3.26Å; M776-I779 PolarHBondContact O-N 3.14Å; I779-R781 PolarHBondContact O-N 3.39Å; I779-V782 PolarHBondContact O-N 3.34Å; I779-A783 WeakPolarHBondContact O-CB 3.23Å; I779-A783 PolarHBondContact O-N 3.49Å; I779-N798 HydrophobicContact CD1-CB 4.13Å; I779-N798 HydrophobicContact CG1-CB 4.23Å; I779-N798 HydrophobicContact CG2-CB 4.07Å; I779-Y799 HydrophobicContact CD1-CE1 4.48Å; I779-Y799 HydrophobicContact CG2-CD2 4.34Å; I779-Y799 HydrophobicContact CG2-CE2 3.82Å; I779-L802 HydrophobicContact CD1-CD2 4.29Å |
| 780 | D | 95.8 | Very high | 93.7 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 22% | 0.219 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.6 | -37.8 | -179.8 | -63.3 | -25.4 | 0 | 0 | 0 | 112.4 | M776 V782 A783 S784 Q795 Y799 R824 | M776-D780 PolarHBondContact O-N 2.85Å; D780-V782 VanDerWaalsContact C-N 3.3Å; D780-V782 PolarHBondContact O-N 3.34Å; D780-A783 PolarHBondContact O-N 3.49Å; D780-S784 WeakPolarHBondContact O-CB 3.09Å; D780-S784 PolarHBondContact O-N 2.81Å; D780-S784 PolarHBondContact O-OG 2.88Å; D780-Q795 PolarHBondContact OD1-NE2 3.39Å; D780-Y799 VanDerWaalsContact CG-OH 3.28Å; D780-Y799 PolarHBondContact OD1-OH 3.33Å; D780-Y799 PolarHBondContact OD2-OH 2.74Å; D780-R824 IonicContact OD1-NH1 3.67Å; D780-R824 IonicContact OD2-CZ 3.76Å; D780-R824 IonicContact OD2-NH1 3.78Å; D780-R824 PolarHBondContact OD2-NH1 2.89Å |
| 781 | R | 94.3 | Very high | 93.5 | Very high | 56 Ų | 56 | 44 Ų | 44 | 21% | 0.211 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.1 | -38.7 | 174.5 | -170.5 | -170.5 | 63.2 | 71.1 | -4.3 | 111.7 | S727 T777 E778 I779 S784 R785 | S727-R781 PolarHBondContact O-NH2 3.17Å; T777-R781 PolarHBondContact O-N 2.95Å; T777-R781 VanDerWaalsContact O-N 3.08Å; E778-R781 PolarHBondContact O-N 2.68Å; E778-R781 IonicContact OE1-NE 2.71Å; E778-R781 IonicContact OE2-CZ 3.75Å; E778-R781 IonicContact OE2-NE 2.68Å; E778-R781 PolarHBondContact OE2-NE 3.46Å; E778-R781 IonicContact OE2-NH2 3.57Å; E778-R781 PolarHBondContact OE2-NH2 3.23Å; I779-R781 PolarHBondContact O-N 3.39Å; R781-S784 PolarHBondContact O-OG 3.04Å; R781-S784 VanDerWaalsContact O-OG 3.09Å; R781-R785 VanDerWaalsContact O-CG 3.31Å; R781-R785 WeakPolarHBondContact O-CG 3.39Å |
| 782 | V | 92 | Very high | 93.4 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.3 | -42 | 177.5 | 171.3 | 0 | 0 | 0 | 0 | 111 | A729 L738 M740 E778 I779 D780 R785 S786 V794 | A729-V782 HydrophobicContact CB-CG1 3.92Å; L738-V782 HydrophobicContact CD1-CB 4.09Å; L738-V782 HydrophobicContact CD1-CG1 3.97Å; L738-V782 HydrophobicContact CD2-CG1 3.69Å; M740-V782 HydrophobicContact CE-CG2 3.73Å; E778-V782 WeakPolarHBondContact O-CG2 3.48Å; E778-V782 PolarHBondContact O-N 2.85Å; I779-V782 PolarHBondContact O-N 3.34Å; D780-V782 VanDerWaalsContact C-N 3.3Å; D780-V782 PolarHBondContact O-N 3.34Å; V782-R785 CarbonylContact O-C 3.5Å; V782-R785 PolarHBondContact O-N 3.13Å; V782-S786 PolarHBondContact O-N 3.21Å; V782-S786 VanDerWaalsContact O-N 3.09Å; V782-V794 HydrophobicContact CG1-CG1 4.43Å |
| 783 | A | 92.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.8 | -48.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I779 D780 R785 S786 G791 V794 Q795 | I779-A783 WeakPolarHBondContact O-CB 3.23Å; I779-A783 PolarHBondContact O-N 3.49Å; D780-A783 PolarHBondContact O-N 3.49Å; A783-R785 PolarHBondContact O-N 3.3Å; A783-R785 VanDerWaalsContact O-N 3.16Å; A783-S786 VanDerWaalsContact O-CB 3.31Å; A783-S786 WeakPolarHBondContact O-CB 3.37Å; A783-S786 PolarHBondContact O-N 2.87Å; A783-S786 VanDerWaalsContact O-N 3.07Å; A783-G791 WeakPolarHBondContact CB-O 3.41Å; A783-G791 WeakPolarHBondContact O-CA 3.33Å; A783-V794 HydrophobicContact CB-CB 4.04Å; A783-V794 HydrophobicContact CB-CG1 4.07Å; A783-Q795 HydrophobicContact CB-CG 3.58Å |
| 784 | S | 92.2 | Very high | 93 | Very high | 98 Ų | 98 | 40.6 Ų | 40.6 | 69% | 0.685 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -18.5 | 178.2 | 56 | 0 | 0 | 0 | 0 | 114.5 | D780 R781 | D780-S784 WeakPolarHBondContact O-CB 3.09Å; D780-S784 PolarHBondContact O-N 2.81Å; D780-S784 PolarHBondContact O-OG 2.88Å; R781-S784 PolarHBondContact O-OG 3.04Å; R781-S784 VanDerWaalsContact O-OG 3.09Å |
| 785 | R | 90 | Very high | 92.9 | Very high | 157 Ų | 157 | 42.2 Ų | 42.2 | 59% | 0.592 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | 2 | 177.9 | -64.2 | 179.2 | -177.3 | -169.3 | 1.6 | 113 | R781 V782 A783 | R781-R785 VanDerWaalsContact O-CG 3.31Å; R781-R785 WeakPolarHBondContact O-CG 3.39Å; V782-R785 CarbonylContact O-C 3.5Å; V782-R785 PolarHBondContact O-N 3.13Å; A783-R785 PolarHBondContact O-N 3.3Å; A783-R785 VanDerWaalsContact O-N 3.16Å |
| 786 | S | 88.3 | Confident | 92.8 | Very high | 29 Ų | 29 | 42.2 Ų | 42.2 | 20% | 0.203 | 22% | 0.223 | C | C | . | . | trans | -72.7 | 138 | 179 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | V782 A783 T789 | V782-S786 PolarHBondContact O-N 3.21Å; V782-S786 VanDerWaalsContact O-N 3.09Å; A783-S786 VanDerWaalsContact O-CB 3.31Å; A783-S786 WeakPolarHBondContact O-CB 3.37Å; A783-S786 PolarHBondContact O-N 2.87Å; A783-S786 VanDerWaalsContact O-N 3.07Å; S786-T789 VanDerWaalsContact CB-O 3.29Å; S786-T789 WeakPolarHBondContact CB-O 3.26Å; S786-T789 PolarHBondContact OG-O 2.99Å | ||
| 787 | V | 84.5 | Confident | 92.6 | Very high | 117 Ų | 117 | 42.2 Ų | 42.2 | 71% | 0.709 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -112.6 | -46.8 | -177.9 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 788 | K | 85 | Confident | 92.5 | Very high | 124 Ų | 124 | 38.3 Ų | 38.3 | 54% | 0.539 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -82.6 | -36.8 | -176 | -73.1 | -164.7 | 174.5 | -162.2 | 0 | 113.7 | K732 | K732-K788 WeakPolarHBondContact O-CD 3.5Å; K732-K788 VanDerWaalsContact O-CE 3.29Å; K732-K788 WeakPolarHBondContact O-CE 3.39Å; K732-K788 PolarHBondContact O-NZ 3.47Å |
| 789 | T | 90 | Very high | 92.6 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -104 | 129.4 | 177 | -60.3 | 0 | 0 | 0 | 0 | 107.8 | C735 S786 V793 V794 | C735-T789 HydrophobicContact CB-CG2 4.42Å; C735-T789 PolarHBondContact N-OG1 2.91Å; S786-T789 VanDerWaalsContact CB-O 3.29Å; S786-T789 WeakPolarHBondContact CB-O 3.26Å; S786-T789 PolarHBondContact OG-O 2.99Å; T789-V793 HydrophobicContact CG2-CB 3.78Å; T789-V793 HydrophobicContact CG2-CG1 3.66Å; T789-V794 HydrophobicContact CG2-CG2 3.8Å |
| 790 | P | 92 | Very high | 92.6 | Very high | 34 Ų | 34 | 40 Ų | 40 | 22% | 0.221 | 21% | 0.207 | C | C | . | . | trans | -52.1 | 141.6 | 175 | -26.2 | 35.1 | 0 | 0 | 0 | 111.6 | E792 V793 V794 Y832 | P790-E792 WeakPolarHBondContact CB-OE2 3.39Å; P790-E792 PolarHBondContact O-N 3.39Å; P790-V793 HydrophobicContact CB-CB 4.45Å; P790-V793 HydrophobicContact CB-CG2 4.06Å; P790-V793 HydrophobicContact CG-CG2 4.22Å; P790-V793 WeakPolarHBondContact O-CB 3.25Å; P790-V793 PolarHBondContact O-N 2.88Å; P790-V794 PolarHBondContact O-N 2.82Å; P790-V794 VanDerWaalsContact O-N 3.15Å; P790-Y832 HydrophobicContact CB-CD2 4.35Å; P790-Y832 HydrophobicContact CB-CE2 4.24Å; P790-Y832 HydrophobicContact CG-CE2 4.07Å | ||
| 791 | G | 93.4 | Very high | 92.5 | Very high | 16 Ų | 16 | 40.6 Ų | 40.6 | 17% | 0.165 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.1 | -36.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A783 V793 V794 Q795 | A783-G791 WeakPolarHBondContact CB-O 3.41Å; A783-G791 WeakPolarHBondContact O-CA 3.33Å; G791-V793 VanDerWaalsContact C-N 3.3Å; G791-V793 PolarHBondContact O-N 3.08Å; G791-V794 WeakPolarHBondContact O-CB 3.27Å; G791-V794 PolarHBondContact O-N 3.1Å; G791-Q795 PolarHBondContact O-N 3.43Å |
| 792 | E | 94.9 | Very high | 92.6 | Very high | 53 Ų | 53 | 38 Ų | 38 | 25% | 0.248 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.2 | -36 | 177.7 | -53.2 | 71.2 | -151.1 | 0 | 0 | 111 | P790 Q795 L796 E831 Y832 | P790-E792 WeakPolarHBondContact CB-OE2 3.39Å; P790-E792 PolarHBondContact O-N 3.39Å; E792-Q795 PolarHBondContact O-N 3.42Å; E792-L796 WeakPolarHBondContact O-CB 3.29Å; E792-L796 PolarHBondContact O-N 2.87Å; E792-E831 HydrophobicContact CG-CB 4.03Å; E792-E831 HydrophobicContact CG-CG 4.07Å; E792-Y832 HydrophobicContact CB-CD2 4.42Å; E792-Y832 HydrophobicContact CB-CG 4.49Å |
| 793 | V | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.2 | -40.7 | 176 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | T789 P790 G791 Q795 L796 E797 Y832 H901 L902 | T789-V793 HydrophobicContact CG2-CB 3.78Å; T789-V793 HydrophobicContact CG2-CG1 3.66Å; P790-V793 HydrophobicContact CB-CB 4.45Å; P790-V793 HydrophobicContact CB-CG2 4.06Å; P790-V793 HydrophobicContact CG-CG2 4.22Å; P790-V793 WeakPolarHBondContact O-CB 3.25Å; P790-V793 PolarHBondContact O-N 2.88Å; G791-V793 VanDerWaalsContact C-N 3.3Å; G791-V793 PolarHBondContact O-N 3.08Å; V793-Q795 VanDerWaalsContact C-N 3.33Å; V793-Q795 PolarHBondContact O-N 2.86Å; V793-L796 PolarHBondContact O-N 3.06Å; V793-E797 HydrophobicContact CG1-CG 4.48Å; V793-E797 WeakPolarHBondContact O-CG 3.42Å; V793-E797 PolarHBondContact O-N 3.05Å; V793-Y832 HydrophobicContact CG2-CD1 4.18Å; V793-Y832 HydrophobicContact CG2-CD2 3.47Å; V793-Y832 VanDerWaalsContact CG2-CD2 3.47Å; V793-Y832 HydrophobicContact CG2-CE1 4Å; V793-Y832 HydrophobicContact CG2-CE2 3.28Å; V793-Y832 HydrophobicContact CG2-CG 3.93Å; V793-H901 HydrophobicContact CG1-CB 4.48Å; V793-H901 HydrophobicContact CG2-CB 4.27Å; V793-L902 HydrophobicContact CG1-CD2 3.85Å |
| 794 | V | 93.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -46.6 | 174.6 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | C735 L738 V782 A783 T789 P790 G791 N798 | C735-V794 HydrophobicContact CB-CG2 4Å; L738-V794 HydrophobicContact CD1-CG1 4.39Å; V782-V794 HydrophobicContact CG1-CG1 4.43Å; A783-V794 HydrophobicContact CB-CB 4.04Å; A783-V794 HydrophobicContact CB-CG1 4.07Å; T789-V794 HydrophobicContact CG2-CG2 3.8Å; P790-V794 PolarHBondContact O-N 2.82Å; P790-V794 VanDerWaalsContact O-N 3.15Å; G791-V794 WeakPolarHBondContact O-CB 3.27Å; G791-V794 PolarHBondContact O-N 3.1Å; V794-N798 WeakPolarHBondContact O-CB 3.24Å; V794-N798 PolarHBondContact O-N 2.96Å; V794-N798 PolarHBondContact O-ND2 3.48Å |
| 795 | Q | 95.7 | Very high | 92.9 | Very high | 49 Ų | 49 | 35.6 Ų | 35.6 | 23% | 0.229 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.5 | -47.4 | 176.1 | -73.7 | 179.7 | -46.1 | 0 | 0 | 111.4 | D780 A783 G791 E792 V793 E797 N798 Y799 A828 | D780-Q795 PolarHBondContact OD1-NE2 3.39Å; A783-Q795 HydrophobicContact CB-CG 3.58Å; G791-Q795 PolarHBondContact O-N 3.43Å; E792-Q795 PolarHBondContact O-N 3.42Å; V793-Q795 VanDerWaalsContact C-N 3.33Å; V793-Q795 PolarHBondContact O-N 2.86Å; Q795-E797 PolarHBondContact O-N 3.14Å; Q795-N798 PolarHBondContact O-N 3.31Å; Q795-Y799 HydrophobicContact CB-CD2 3.86Å; Q795-Y799 HydrophobicContact CB-CE2 4.02Å; Q795-Y799 HydrophobicContact CG-CD2 4.37Å; Q795-Y799 HydrophobicContact CG-CE2 4.01Å; Q795-Y799 VanDerWaalsContact O-CB 3.29Å; Q795-Y799 WeakPolarHBondContact O-CB 3.47Å; Q795-Y799 WeakPolarHBondContact O-CD2 3.49Å; Q795-Y799 PolarHBondContact O-N 3.29Å; Q795-A828 HydrophobicContact CB-CB 3.79Å |
| 796 | L | 94.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -54.2 | -53.1 | -178.4 | -176.6 | 77.7 | 0 | 0 | 0 | 112.1 | E792 V793 H800 Y825 A828 L829 L902 V912 | E792-L796 WeakPolarHBondContact O-CB 3.29Å; E792-L796 PolarHBondContact O-N 2.87Å; V793-L796 PolarHBondContact O-N 3.06Å; L796-H800 VanDerWaalsContact O-CB 3.25Å; L796-H800 WeakPolarHBondContact O-CB 3.18Å; L796-H800 PolarHBondContact O-N 3.5Å; L796-Y825 HydrophobicContact CD1-CD2 3.68Å; L796-Y825 HydrophobicContact CD1-CE2 3.33Å; L796-Y825 HydrophobicContact CD1-CG 4.5Å; L796-Y825 HydrophobicContact CG-CD2 4.38Å; L796-Y825 HydrophobicContact CG-CE2 3.99Å; L796-Y825 WeakPolarHBondContact O-CD2 3.27Å; L796-A828 HydrophobicContact CB-CB 4.5Å; L796-L829 HydrophobicContact CD1-CB 3.63Å; L796-L829 HydrophobicContact CD1-CD1 4Å; L796-L829 HydrophobicContact CD1-CG 4.32Å; L796-L829 HydrophobicContact CD2-CD1 4.43Å; L796-L902 HydrophobicContact CD2-CD2 4.19Å; L796-V912 HydrophobicContact CD2-CG2 3.43Å; L796-V912 VanDerWaalsContact CD2-CG2 3.43Å |
| 797 | E | 94.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 34 Ų | 34 | 1% | 0.014 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.2 | -41.8 | -176.7 | -64.1 | -166.8 | 171.2 | 0 | 0 | 112.3 | G736 V793 Q795 H800 R801 L902 S903 L908 | G736-E797 VanDerWaalsContact CA-OE2 3.24Å; G736-E797 WeakPolarHBondContact CA-OE2 3.23Å; V793-E797 HydrophobicContact CG1-CG 4.48Å; V793-E797 WeakPolarHBondContact O-CG 3.42Å; V793-E797 PolarHBondContact O-N 3.05Å; Q795-E797 PolarHBondContact O-N 3.14Å; E797-H800 WeakPolarHBondContact O-CB 3.35Å; E797-H800 PolarHBondContact O-N 3.29Å; E797-R801 PolarHBondContact O-N 3.47Å; E797-L902 HydrophobicContact CG-CD2 4.38Å; E797-L902 VanDerWaalsContact OE1-CA 3.27Å; E797-L902 WeakPolarHBondContact OE1-CA 3.41Å; E797-S903 VanDerWaalsContact CD-OG 3.25Å; E797-S903 PolarHBondContact OE1-N 2.8Å; E797-S903 PolarHBondContact OE1-OG 2.65Å; E797-S903 WeakPolarHBondContact OE2-CB 3.27Å; E797-S903 PolarHBondContact OE2-OG 3.37Å; E797-L908 HydrophobicContact CB-CD1 4.29Å; E797-L908 HydrophobicContact CG-CD1 3.91Å |
| 798 | N | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -76 | -40.6 | -175.7 | -73.4 | -81.2 | 0 | 0 | 0 | 112.2 | G736 L738 V741 I779 V794 Q795 H800 R801 L802 | G736-N798 PolarHBondContact O-ND2 3.28Å; L738-N798 WeakPolarHBondContact CB-OD1 3.31Å; L738-N798 WeakPolarHBondContact CG-OD1 3.37Å; L738-N798 PolarHBondContact N-OD1 3.13Å; V741-N798 HydrophobicContact CG2-CB 4.19Å; V741-N798 WeakPolarHBondContact CG2-OD1 3.41Å; I779-N798 HydrophobicContact CD1-CB 4.13Å; I779-N798 HydrophobicContact CG1-CB 4.23Å; I779-N798 HydrophobicContact CG2-CB 4.07Å; V794-N798 WeakPolarHBondContact O-CB 3.24Å; V794-N798 PolarHBondContact O-N 2.96Å; V794-N798 PolarHBondContact O-ND2 3.48Å; Q795-N798 PolarHBondContact O-N 3.31Å; N798-H800 VanDerWaalsContact C-N 3.3Å; N798-H800 PolarHBondContact O-N 2.88Å; N798-R801 PolarHBondContact O-N 3.41Å; N798-L802 WeakPolarHBondContact O-CB 3.28Å; N798-L802 PolarHBondContact O-N 2.9Å |
| 799 | Y | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.4 | -28.2 | 173.3 | -74.5 | -63.6 | 0 | 0 | 0 | 112.2 | M776 I779 D780 Q795 L802 C803 A821 R824 | M776-Y799 HydrophobicContact CB-CE1 4.35Å; M776-Y799 HydrophobicContact CE-CE1 3.93Å; M776-Y799 HydrophobicContact CG-CE1 4.02Å; M776-Y799 PolarHBondContact O-OH 2.88Å; I779-Y799 HydrophobicContact CD1-CE1 4.48Å; I779-Y799 HydrophobicContact CG2-CD2 4.34Å; I779-Y799 HydrophobicContact CG2-CE2 3.82Å; D780-Y799 VanDerWaalsContact CG-OH 3.28Å; D780-Y799 PolarHBondContact OD1-OH 3.33Å; D780-Y799 PolarHBondContact OD2-OH 2.74Å; Q795-Y799 HydrophobicContact CB-CD2 3.86Å; Q795-Y799 HydrophobicContact CB-CE2 4.02Å; Q795-Y799 HydrophobicContact CG-CD2 4.37Å; Q795-Y799 HydrophobicContact CG-CE2 4.01Å; Q795-Y799 VanDerWaalsContact O-CB 3.29Å; Q795-Y799 WeakPolarHBondContact O-CB 3.47Å; Q795-Y799 WeakPolarHBondContact O-CD2 3.49Å; Q795-Y799 PolarHBondContact O-N 3.29Å; Y799-L802 HydrophobicContact CD1-CD2 4.11Å; Y799-L802 HydrophobicContact CE1-CD2 4.28Å; Y799-L802 PolarHBondContact O-N 3.48Å; Y799-C803 VanDerWaalsContact O-CB 3.25Å; Y799-C803 WeakPolarHBondContact O-CB 3.31Å; Y799-C803 PolarHBondContact O-N 3.08Å; Y799-C803 PolarHBondContact O-SG 3.07Å; Y799-A821 HydrophobicContact CD1-CB 3.98Å; Y799-R824 HydrophobicContact CD1-CB 4.33Å; Y799-R824 HydrophobicContact CD2-CB 3.84Å; Y799-R824 HydrophobicContact CE1-CB 4.19Å; Y799-R824 HydrophobicContact CE2-CB 3.7Å; Y799-R824 HydrophobicContact CE2-CG 4.45Å; Y799-R824 HydrophobicContact CG-CB 4.19Å; Y799-R824 WeakPolarHBondContact OH-CD 3.35Å; Y799-R824 PolarHBondContact OH-NH1 3.16Å |
| 800 | H | 95.3 | Very high | 93.8 | Very high | 54 Ų | 54 | 35.9 Ų | 35.9 | 25% | 0.25 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.6 | -52.4 | 171.3 | -175.6 | 71.4 | 0 | 0 | 0 | 111.4 | L796 E797 N798 L802 C803 D804 Y825 E906 L908 | L796-H800 VanDerWaalsContact O-CB 3.25Å; L796-H800 WeakPolarHBondContact O-CB 3.18Å; L796-H800 PolarHBondContact O-N 3.5Å; E797-H800 WeakPolarHBondContact O-CB 3.35Å; E797-H800 PolarHBondContact O-N 3.29Å; N798-H800 VanDerWaalsContact C-N 3.3Å; N798-H800 PolarHBondContact O-N 2.88Å; H800-L802 PolarHBondContact O-N 3.41Å; H800-C803 PolarHBondContact O-N 2.95Å; H800-D804 PolarHBondContact O-N 2.82Å; H800-Y825 HydrophobicContact CB-CD2 4.04Å; H800-Y825 HydrophobicContact CB-CE2 3.84Å; H800-Y825 AromaticContact ND1-CE2 3.92Å; H800-E906 IonicContact CD2-OE2 2.6Å; H800-E906 IonicContact NE2-OE2 2.62Å; H800-L908 HydrophobicContact CB-CD1 4.13Å; H800-L908 HydrophobicContact CB-CD2 4.35Å |
| 801 | R | 94.1 | Very high | 93.6 | Very high | 55 Ų | 55 | 35.4 Ų | 35.4 | 21% | 0.208 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 176.9 | -66.8 | -60.7 | -64.3 | 175.1 | -14.1 | 112.3 | V737 V741 I745 E797 N798 D804 I805 E906 | V737-R801 HydrophobicContact CG1-CG 4.12Å; V737-R801 HydrophobicContact CG2-CG 3.78Å; V741-R801 HydrophobicContact CG1-CB 4.09Å; I745-R801 HydrophobicContact CD1-CB 4.04Å; E797-R801 PolarHBondContact O-N 3.47Å; N798-R801 PolarHBondContact O-N 3.41Å; R801-D804 PolarHBondContact O-N 3.46Å; R801-I805 PolarHBondContact O-N 2.91Å; R801-I805 VanDerWaalsContact O-N 3.12Å; R801-E906 WeakPolarHBondContact CD-OE2 3.45Å; R801-E906 HydrophobicContact CG-CG 4.36Å; R801-E906 IonicContact CZ-OE1 3.57Å; R801-E906 VanDerWaalsContact CZ-OE1 3.26Å; R801-E906 IonicContact CZ-OE2 3.78Å; R801-E906 IonicContact NE-OE1 3.99Å; R801-E906 IonicContact NH1-OE1 2.58Å; R801-E906 PolarHBondContact NH1-OE1 3.04Å; R801-E906 IonicContact NH1-OE2 2.93Å; R801-E906 PolarHBondContact NH1-OE2 2.85Å |
| 802 | L | 96 | Very high | 93.5 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | 177.5 | -175.4 | 56.8 | 0 | 0 | 0 | 111.6 | Y744 L775 M776 I779 N798 Y799 H800 D804 I805 L806 A821 | Y744-L802 HydrophobicContact CD1-CD1 4.1Å; Y744-L802 HydrophobicContact CE1-CD1 3.85Å; L775-L802 HydrophobicContact CD2-CD1 3.92Å; M776-L802 HydrophobicContact CG-CD2 3.67Å; M776-L802 HydrophobicContact SD-CD2 4.41Å; I779-L802 HydrophobicContact CD1-CD2 4.29Å; N798-L802 WeakPolarHBondContact O-CB 3.28Å; N798-L802 PolarHBondContact O-N 2.9Å; Y799-L802 HydrophobicContact CD1-CD2 4.11Å; Y799-L802 HydrophobicContact CE1-CD2 4.28Å; Y799-L802 PolarHBondContact O-N 3.48Å; H800-L802 PolarHBondContact O-N 3.41Å; L802-D804 VanDerWaalsContact C-N 3.31Å; L802-D804 PolarHBondContact O-N 2.85Å; L802-I805 HydrophobicContact CD1-CG2 4.18Å; L802-I805 VanDerWaalsContact O-CG2 3.3Å; L802-I805 WeakPolarHBondContact O-CG2 3.4Å; L802-I805 PolarHBondContact O-N 3.33Å; L802-L806 HydrophobicContact CD1-CD1 3.97Å; L802-L806 HydrophobicContact CD1-CD2 4.47Å; L802-L806 HydrophobicContact CD1-CG 3.94Å; L802-L806 HydrophobicContact CG-CD1 3.81Å; L802-L806 HydrophobicContact CG-CG 4.23Å; L802-L806 VanDerWaalsContact O-CB 3.29Å; L802-L806 WeakPolarHBondContact O-CB 3.43Å; L802-L806 WeakPolarHBondContact O-CG 3.3Å; L802-L806 PolarHBondContact O-N 2.96Å; L802-A821 HydrophobicContact CD2-CB 4.31Å; L802-A821 HydrophobicContact CG-CB 4.49Å |
| 803 | C | 95.1 | Very high | 93.3 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 7% | 0.074 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.8 | -39.7 | 176.4 | -75.1 | 0 | 0 | 0 | 0 | 112.2 | Y799 H800 R807 A821 K822 | Y799-C803 VanDerWaalsContact O-CB 3.25Å; Y799-C803 WeakPolarHBondContact O-CB 3.31Å; Y799-C803 PolarHBondContact O-N 3.08Å; Y799-C803 PolarHBondContact O-SG 3.07Å; H800-C803 PolarHBondContact O-N 2.95Å; C803-R807 WeakPolarHBondContact O-CB 3.34Å; C803-R807 PolarHBondContact O-N 3.37Å; C803-A821 VanDerWaalsContact SG-C 3.55Å; C803-K822 PolarHBondContact SG-N 3.47Å |
| 804 | D | 94.1 | Very high | 93.3 | Very high | 42 Ų | 42 | 37.7 Ų | 37.7 | 23% | 0.225 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.1 | -54.6 | 177.3 | 179.5 | 61.2 | 0 | 0 | 0 | 111.6 | H800 R801 L802 L806 R807 R808 | H800-D804 PolarHBondContact O-N 2.82Å; R801-D804 PolarHBondContact O-N 3.46Å; L802-D804 VanDerWaalsContact C-N 3.31Å; L802-D804 PolarHBondContact O-N 2.85Å; D804-L806 PolarHBondContact O-N 3.44Å; D804-R807 WeakPolarHBondContact O-CB 3.45Å; D804-R807 PolarHBondContact O-N 2.9Å; D804-R807 VanDerWaalsContact O-N 3.12Å; D804-R808 WeakPolarHBondContact O-CG 3.27Å; D804-R808 PolarHBondContact O-N 3.44Å; D804-R808 IonicContact OD1-NE 3.98Å; D804-R808 IonicContact OD2-CZ 3.1Å; D804-R808 IonicContact OD2-NE 3.28Å; D804-R808 PolarHBondContact OD2-NE 2.86Å; D804-R808 IonicContact OD2-NH2 2.64Å; D804-R808 PolarHBondContact OD2-NH2 3.48Å; D804-R808 VanDerWaalsContact OD2-NH2 3.08Å |
| 805 | I | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.9 | -39.6 | -179.2 | -170.1 | 62.2 | 0 | 0 | 0 | 112.1 | Y744 I745 A748 E749 R801 L802 R807 R808 L809 | Y744-I805 HydrophobicContact CD1-CG2 4.38Å; Y744-I805 HydrophobicContact CE1-CG2 4Å; I745-I805 HydrophobicContact CG1-CB 4.18Å; I745-I805 HydrophobicContact CG1-CG1 4.4Å; I745-I805 HydrophobicContact CG1-CG2 4.05Å; I745-I805 HydrophobicContact CG2-CD1 4.39Å; A748-I805 HydrophobicContact CB-CD1 3.93Å; A748-I805 HydrophobicContact CB-CG1 3.63Å; E749-I805 HydrophobicContact CG-CD1 3.8Å; R801-I805 PolarHBondContact O-N 2.91Å; R801-I805 VanDerWaalsContact O-N 3.12Å; L802-I805 HydrophobicContact CD1-CG2 4.18Å; L802-I805 VanDerWaalsContact O-CG2 3.3Å; L802-I805 WeakPolarHBondContact O-CG2 3.4Å; L802-I805 PolarHBondContact O-N 3.33Å; I805-R807 VanDerWaalsContact C-N 3.26Å; I805-R807 PolarHBondContact O-N 2.78Å; I805-R808 PolarHBondContact O-N 2.96Å; I805-L809 HydrophobicContact CG1-CD1 4.31Å; I805-L809 WeakPolarHBondContact O-CG 3.41Å; I805-L809 PolarHBondContact O-N 2.86Å |
| 806 | L | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.1 | -29.9 | 176.4 | -71.6 | 178.3 | 0 | 0 | 0 | 113 | V772 L802 D804 L809 L814 R818 A821 | V772-L806 HydrophobicContact CG1-CD1 4.36Å; V772-L806 HydrophobicContact CG1-CD2 4.45Å; V772-L806 HydrophobicContact CG2-CD2 3.86Å; L802-L806 HydrophobicContact CD1-CD1 3.97Å; L802-L806 HydrophobicContact CD1-CD2 4.47Å; L802-L806 HydrophobicContact CD1-CG 3.94Å; L802-L806 HydrophobicContact CG-CD1 3.81Å; L802-L806 HydrophobicContact CG-CG 4.23Å; L802-L806 VanDerWaalsContact O-CB 3.29Å; L802-L806 WeakPolarHBondContact O-CB 3.43Å; L802-L806 WeakPolarHBondContact O-CG 3.3Å; L802-L806 PolarHBondContact O-N 2.96Å; D804-L806 PolarHBondContact O-N 3.44Å; L806-L809 HydrophobicContact CD2-CD1 4.17Å; L806-L814 HydrophobicContact CD2-CD1 3.96Å; L806-R818 HydrophobicContact CB-CB 4.44Å; L806-R818 HydrophobicContact CB-CG 4.22Å; L806-R818 PolarHBondContact O-NE 3.26Å; L806-R818 PolarHBondContact O-NH2 2.89Å; L806-A821 HydrophobicContact CD1-CB 4.26Å |
| 807 | R | 93.3 | Very high | 93.4 | Very high | 152 Ų | 152 | 47.4 Ų | 47.4 | 57% | 0.574 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -74.2 | -40.6 | 174.2 | -169.8 | -172 | -54.7 | 129.7 | 4.3 | 111.1 | C803 D804 I805 K810 | C803-R807 WeakPolarHBondContact O-CB 3.34Å; C803-R807 PolarHBondContact O-N 3.37Å; D804-R807 WeakPolarHBondContact O-CB 3.45Å; D804-R807 PolarHBondContact O-N 2.9Å; D804-R807 VanDerWaalsContact O-N 3.12Å; I805-R807 VanDerWaalsContact C-N 3.26Å; I805-R807 PolarHBondContact O-N 2.78Å; R807-K810 WeakPolarHBondContact O-CG 3.49Å; R807-K810 PolarHBondContact O-N 2.98Å |
| 808 | R | 91.9 | Very high | 93.4 | Very high | 97 Ų | 97 | 50.3 Ų | 50.3 | 37% | 0.366 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67 | -35.1 | 178 | -70.3 | -169.6 | -75.2 | 138 | -2.5 | 112.6 | E749 M752 D804 I805 K810 | E749-R808 IonicContact OE1-CZ 3.61Å; E749-R808 IonicContact OE1-NH1 3.32Å; E749-R808 PolarHBondContact OE1-NH1 3.28Å; E749-R808 IonicContact OE1-NH2 2.86Å; E749-R808 PolarHBondContact OE1-NH2 2.9Å; M752-R808 WeakPolarHBondContact CE-O 3.49Å; D804-R808 WeakPolarHBondContact O-CG 3.27Å; D804-R808 PolarHBondContact O-N 3.44Å; D804-R808 IonicContact OD1-NE 3.98Å; D804-R808 IonicContact OD2-CZ 3.1Å; D804-R808 IonicContact OD2-NE 3.28Å; D804-R808 PolarHBondContact OD2-NE 2.86Å; D804-R808 IonicContact OD2-NH2 2.64Å; D804-R808 PolarHBondContact OD2-NH2 3.48Å; D804-R808 VanDerWaalsContact OD2-NH2 3.08Å; I805-R808 PolarHBondContact O-N 2.96Å; R808-K810 VanDerWaalsContact C-N 3.28Å; R808-K810 PolarHBondContact O-N 2.82Å |
| 809 | L | 90.3 | Very high | 93.5 | Very high | 9 Ų | 9 | 54.9 Ų | 54.9 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59 | -33.4 | 176.4 | -79.3 | 164.3 | 0 | 0 | 0 | 113.7 | A748 M752 I805 L806 M811 L814 | A748-L809 HydrophobicContact CB-CD1 4.13Å; A748-L809 HydrophobicContact CB-CD2 4.2Å; A748-L809 HydrophobicContact CB-CG 4.47Å; M752-L809 HydrophobicContact CG-CD2 3.34Å; M752-L809 HydrophobicContact CG-CG 4.48Å; M752-L809 HydrophobicContact SD-CB 4.42Å; M752-L809 HydrophobicContact SD-CD2 3.48Å; M752-L809 WeakPolarHBondContact SD-CD2 3.27Å; M752-L809 HydrophobicContact SD-CG 4.03Å; I805-L809 HydrophobicContact CG1-CD1 4.31Å; I805-L809 WeakPolarHBondContact O-CG 3.41Å; I805-L809 PolarHBondContact O-N 2.86Å; L806-L809 HydrophobicContact CD2-CD1 4.17Å; L809-M811 HydrophobicContact CB-CG 4.17Å; L809-M811 HydrophobicContact CB-SD 4.26Å; L809-M811 HydrophobicContact CD2-SD 4.02Å; L809-M811 WeakPolarHBondContact O-CG 3.34Å; L809-M811 PolarHBondContact O-N 2.94Å; L809-L814 HydrophobicContact CD1-CD1 4.2Å |
| 810 | K | 85.3 | Confident | 93.5 | Very high | 178 Ų | 178 | 57.5 Ų | 57.5 | 77% | 0.774 | 27% | 0.273 | S | S | * | . | trans | 51 | 27.7 | -179.1 | -62.6 | -177.6 | -179.9 | 179.1 | 0 | 115.3 | R807 R808 | R807-K810 WeakPolarHBondContact O-CG 3.49Å; R807-K810 PolarHBondContact O-N 2.98Å; R808-K810 VanDerWaalsContact C-N 3.28Å; R808-K810 PolarHBondContact O-N 2.82Å | ||
| 811 | M | 88.4 | Confident | 93.6 | Very high | 23 Ų | 23 | 55 Ų | 55 | 11% | 0.113 | 26% | 0.261 | C | S | . | . | trans | -86.3 | 122.4 | 176.5 | -56 | 172.5 | 79.8 | 0 | 0 | 109.5 | E765 H768 L809 S813 L814 R818 | E765-M811 VanDerWaalsContact CA-CE 3.49Å; E765-M811 HydrophobicContact CB-CE 3.89Å; E765-M811 HydrophobicContact CG-CE 3.52Å; H768-M811 VanDerWaalsContact CD2-SD 3.58Å; L809-M811 HydrophobicContact CB-CG 4.17Å; L809-M811 HydrophobicContact CB-SD 4.26Å; L809-M811 HydrophobicContact CD2-SD 4.02Å; L809-M811 WeakPolarHBondContact O-CG 3.34Å; L809-M811 PolarHBondContact O-N 2.94Å; M811-S813 VanDerWaalsContact C-N 3.29Å; M811-S813 PolarHBondContact O-N 3.33Å; M811-L814 HydrophobicContact CB-CD1 4.04Å; M811-L814 HydrophobicContact CB-CG 4.12Å; M811-L814 HydrophobicContact CG-CD1 4.45Å; M811-L814 PolarHBondContact O-N 3.48Å; M811-L814 HydrophobicContact SD-CD1 3.83Å; M811-R818 PolarHBondContact O-NH2 3.14Å | ||
| 812 | S | 90.5 | Very high | 93.7 | Very high | 86 Ų | 86 | 57.9 Ų | 57.9 | 60% | 0.601 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -66.3 | -32.7 | 179.9 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | L814 D815 | S812-L814 PolarHBondContact O-N 2.92Å; S812-D815 WeakPolarHBondContact CA-OD2 3.18Å; S812-D815 WeakPolarHBondContact O-CB 3.34Å; S812-D815 VanDerWaalsContact O-CG 3.24Å; S812-D815 PolarHBondContact O-N 3.27Å |
| 813 | S | 90.2 | Very high | 93.8 | Very high | 32 Ų | 32 | 61.4 Ų | 61.4 | 22% | 0.224 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -65.5 | -4.9 | 176.4 | 64.4 | 0 | 0 | 0 | 0 | 114.7 | E765 R769 M811 | E765-S813 PolarHBondContact OE1-OG 3.49Å; E765-S813 PolarHBondContact OE2-OG 3.27Å; R769-S813 VanDerWaalsContact NH1-CB 3.34Å; R769-S813 PolarHBondContact NH1-OG 3.4Å; M811-S813 VanDerWaalsContact C-N 3.29Å; M811-S813 PolarHBondContact O-N 3.33Å |
| 814 | L | 94.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -111.2 | 6.5 | 175.4 | -59 | 178.9 | 0 | 0 | 0 | 113.4 | H768 R769 L806 L809 M811 S812 D816 Y817 R818 | H768-L814 HydrophobicContact CB-CD1 3.81Å; H768-L814 HydrophobicContact CB-CD2 4Å; H768-L814 HydrophobicContact CB-CG 4.42Å; R769-L814 HydrophobicContact CB-CD2 4.44Å; R769-L814 HydrophobicContact CG-CD2 3.64Å; L806-L814 HydrophobicContact CD2-CD1 3.96Å; L809-L814 HydrophobicContact CD1-CD1 4.2Å; M811-L814 HydrophobicContact CB-CD1 4.04Å; M811-L814 HydrophobicContact CB-CG 4.12Å; M811-L814 HydrophobicContact CG-CD1 4.45Å; M811-L814 PolarHBondContact O-N 3.48Å; M811-L814 HydrophobicContact SD-CD1 3.83Å; S812-L814 PolarHBondContact O-N 2.92Å; L814-D816 VanDerWaalsContact C-N 3.35Å; L814-D816 PolarHBondContact O-N 3.32Å; L814-Y817 HydrophobicContact CD2-CD2 4.16Å; L814-Y817 PolarHBondContact O-N 3.22Å; L814-R818 PolarHBondContact O-N 3.1Å |
| 815 | D | 94.4 | Very high | 94.1 | Very high | 72 Ų | 72 | 63.8 Ų | 63.8 | 39% | 0.385 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.3 | -40.8 | -174.8 | -73.9 | -20.9 | 0 | 0 | 0 | 112.6 | S812 Y817 R818 Q819 | S812-D815 WeakPolarHBondContact CA-OD2 3.18Å; S812-D815 WeakPolarHBondContact O-CB 3.34Å; S812-D815 VanDerWaalsContact O-CG 3.24Å; S812-D815 PolarHBondContact O-N 3.27Å; D815-Y817 PolarHBondContact O-N 3.49Å; D815-R818 WeakPolarHBondContact O-CB 3.28Å; D815-R818 PolarHBondContact O-N 3.15Å; D815-R818 IonicContact OD1-CZ 2.91Å; D815-R818 IonicContact OD1-NH1 3.34Å; D815-R818 PolarHBondContact OD1-NH1 3.1Å; D815-R818 IonicContact OD1-NH2 3.29Å; D815-R818 PolarHBondContact OD1-NH2 3.01Å; D815-Q819 PolarHBondContact O-N 3.26Å |
| 816 | D | 95.3 | Very high | 94.2 | Very high | 140 Ų | 140 | 66.4 Ų | 66.4 | 75% | 0.749 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.5 | -44.5 | 175.5 | -64.3 | -22.8 | 0 | 0 | 0 | 111.7 | L814 R818 Q819 D820 | L814-D816 VanDerWaalsContact C-N 3.35Å; L814-D816 PolarHBondContact O-N 3.32Å; D816-R818 VanDerWaalsContact C-N 3.34Å; D816-Q819 PolarHBondContact O-N 3.36Å; D816-D820 WeakPolarHBondContact O-CB 3.39Å; D816-D820 PolarHBondContact O-N 3.38Å |
| 817 | Y | 96.1 | Very high | 94.3 | Very high | 41 Ų | 41 | 71.5 Ų | 71.5 | 16% | 0.161 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.1 | -34.8 | 177 | -68 | -73.9 | 0 | 0 | 0 | 112.2 | R769 V772 R773 M776 L814 D815 Q819 D820 A821 | R769-Y817 HydrophobicContact CB-CE2 4.3Å; R769-Y817 HydrophobicContact CG-CE2 4.11Å; V772-Y817 HydrophobicContact CG1-CD1 3.97Å; V772-Y817 HydrophobicContact CG1-CG 3.94Å; R773-Y817 HydrophobicContact CB-CE1 3.93Å; R773-Y817 HydrophobicContact CG-CE1 4.38Å; R773-Y817 PolarHBondContact NE-OH 3.05Å; R773-Y817 PolarHBondContact NH2-OH 3.14Å; M776-Y817 HydrophobicContact SD-CD1 3.88Å; L814-Y817 HydrophobicContact CD2-CD2 4.16Å; L814-Y817 PolarHBondContact O-N 3.22Å; D815-Y817 PolarHBondContact O-N 3.49Å; Y817-Q819 VanDerWaalsContact C-N 3.35Å; Y817-D820 PolarHBondContact O-N 2.82Å; Y817-A821 WeakPolarHBondContact O-CB 3.41Å; Y817-A821 PolarHBondContact O-N 3.37Å |
| 818 | R | 95.4 | Very high | 94.4 | Very high | 63 Ų | 63 | 64.4 Ų | 64.4 | 24% | 0.238 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 175.6 | -168.3 | -173 | -62.2 | 130.4 | 12.4 | 110.4 | L806 M811 L814 D815 D816 K822 | L806-R818 HydrophobicContact CB-CB 4.44Å; L806-R818 HydrophobicContact CB-CG 4.22Å; L806-R818 PolarHBondContact O-NE 3.26Å; L806-R818 PolarHBondContact O-NH2 2.89Å; M811-R818 PolarHBondContact O-NH2 3.14Å; L814-R818 PolarHBondContact O-N 3.1Å; D815-R818 WeakPolarHBondContact O-CB 3.28Å; D815-R818 PolarHBondContact O-N 3.15Å; D815-R818 IonicContact OD1-CZ 2.91Å; D815-R818 IonicContact OD1-NH1 3.34Å; D815-R818 PolarHBondContact OD1-NH1 3.1Å; D815-R818 IonicContact OD1-NH2 3.29Å; D815-R818 PolarHBondContact OD1-NH2 3.01Å; D816-R818 VanDerWaalsContact C-N 3.34Å; R818-K822 WeakPolarHBondContact O-CB 3.08Å; R818-K822 PolarHBondContact O-N 3.06Å; R818-K822 VanDerWaalsContact O-N 3.08Å |
| 819 | Q | 96.4 | Very high | 94.7 | Very high | 97 Ų | 97 | 60.9 Ų | 60.9 | 45% | 0.453 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.5 | -42.5 | 176.8 | -173.2 | 59.1 | 39.1 | 0 | 0 | 111.7 | D815 D816 Y817 K822 N823 | D815-Q819 PolarHBondContact O-N 3.26Å; D816-Q819 PolarHBondContact O-N 3.36Å; Y817-Q819 VanDerWaalsContact C-N 3.35Å; Q819-K822 PolarHBondContact O-N 2.9Å; Q819-N823 PolarHBondContact NE2-OD1 3.01Å; Q819-N823 PolarHBondContact O-N 3.47Å; Q819-N823 PolarHBondContact O-ND2 3.01Å; Q819-N823 PolarHBondContact O-OD1 3.33Å |
| 820 | D | 97 | Very high | 94.9 | Very high | 55 Ų | 55 | 65.8 Ų | 65.8 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.2 | -48 | 176.6 | -173.3 | 16.4 | 0 | 0 | 0 | 111.5 | M776 D816 Y817 K822 N823 R824 | M776-D820 HydrophobicContact CE-CB 3.96Å; M776-D820 VanDerWaalsContact CE-OD2 3.32Å; M776-D820 WeakPolarHBondContact CE-OD2 3.25Å; D816-D820 WeakPolarHBondContact O-CB 3.39Å; D816-D820 PolarHBondContact O-N 3.38Å; Y817-D820 PolarHBondContact O-N 2.82Å; D820-K822 VanDerWaalsContact C-N 3.27Å; D820-K822 PolarHBondContact O-N 3.26Å; D820-N823 PolarHBondContact O-N 2.92Å; D820-N823 VanDerWaalsContact O-N 3.12Å; D820-R824 WeakPolarHBondContact O-CG 3.31Å; D820-R824 PolarHBondContact O-N 2.97Å; D820-R824 IonicContact OD1-CZ 2.67Å; D820-R824 IonicContact OD1-NE 3.56Å; D820-R824 PolarHBondContact OD1-NE 3.38Å; D820-R824 IonicContact OD1-NH2 4Å; D820-R824 IonicContact OD2-CZ 2.62Å; D820-R824 IonicContact OD2-NE 2.71Å; D820-R824 PolarHBondContact OD2-NE 3.2Å; D820-R824 IonicContact OD2-NH2 3.15Å; D820-R824 PolarHBondContact OD2-NH2 2.83Å |
| 821 | A | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.7 | -39.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M776 Y799 L802 C803 L806 Y817 R824 Y825 | M776-A821 HydrophobicContact CE-CB 4.19Å; Y799-A821 HydrophobicContact CD1-CB 3.98Å; L802-A821 HydrophobicContact CD2-CB 4.31Å; L802-A821 HydrophobicContact CG-CB 4.49Å; C803-A821 VanDerWaalsContact SG-C 3.55Å; L806-A821 HydrophobicContact CD1-CB 4.26Å; Y817-A821 WeakPolarHBondContact O-CB 3.41Å; Y817-A821 PolarHBondContact O-N 3.37Å; A821-R824 PolarHBondContact O-N 3.43Å; A821-Y825 WeakPolarHBondContact O-CB 3.39Å; A821-Y825 PolarHBondContact O-N 3.4Å |
| 822 | K | 96.8 | Very high | 95.6 | Very high | 117 Ų | 117 | 60.6 Ų | 60.6 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 175.3 | -176.1 | -178.5 | 177.6 | -174.5 | 0 | 111.8 | C803 R818 Q819 D820 R824 Y825 T826 | C803-K822 PolarHBondContact SG-N 3.47Å; R818-K822 WeakPolarHBondContact O-CB 3.08Å; R818-K822 PolarHBondContact O-N 3.06Å; R818-K822 VanDerWaalsContact O-N 3.08Å; Q819-K822 PolarHBondContact O-N 2.9Å; D820-K822 VanDerWaalsContact C-N 3.27Å; D820-K822 PolarHBondContact O-N 3.26Å; K822-R824 VanDerWaalsContact C-N 3.34Å; K822-R824 PolarHBondContact O-N 3.46Å; K822-Y825 WeakPolarHBondContact O-CB 3.35Å; K822-Y825 PolarHBondContact O-N 2.92Å; K822-T826 PolarHBondContact O-N 3.43Å; K822-T826 PolarHBondContact O-OG1 3.02Å |
| 823 | N | 97.8 | Very high | 95.7 | Very high | 75 Ų | 75 | 56.6 Ų | 56.6 | 40% | 0.401 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 177.2 | -68.9 | -14.6 | 0 | 0 | 0 | 110.8 | Q819 D820 T826 L827 | Q819-N823 PolarHBondContact NE2-OD1 3.01Å; Q819-N823 PolarHBondContact O-N 3.47Å; Q819-N823 PolarHBondContact O-ND2 3.01Å; Q819-N823 PolarHBondContact O-OD1 3.33Å; D820-N823 PolarHBondContact O-N 2.92Å; D820-N823 VanDerWaalsContact O-N 3.12Å; N823-T826 PolarHBondContact O-N 2.85Å; N823-L827 WeakPolarHBondContact O-CB 3.4Å; N823-L827 VanDerWaalsContact O-CG 3.29Å; N823-L827 WeakPolarHBondContact O-CG 3.37Å; N823-L827 PolarHBondContact O-N 3.22Å |
| 824 | R | 97.8 | Very high | 95.6 | Very high | 68 Ų | 68 | 61.3 Ų | 61.3 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 177.3 | -65.8 | 179.7 | -166 | -148.4 | 1.2 | 112.7 | D780 Y799 D820 A821 K822 A828 | D780-R824 IonicContact OD1-NH1 3.67Å; D780-R824 IonicContact OD2-CZ 3.76Å; D780-R824 IonicContact OD2-NH1 3.78Å; D780-R824 PolarHBondContact OD2-NH1 2.89Å; Y799-R824 HydrophobicContact CD1-CB 4.33Å; Y799-R824 HydrophobicContact CD2-CB 3.84Å; Y799-R824 HydrophobicContact CE1-CB 4.19Å; Y799-R824 HydrophobicContact CE2-CB 3.7Å; Y799-R824 HydrophobicContact CE2-CG 4.45Å; Y799-R824 HydrophobicContact CG-CB 4.19Å; Y799-R824 WeakPolarHBondContact OH-CD 3.35Å; Y799-R824 PolarHBondContact OH-NH1 3.16Å; D820-R824 WeakPolarHBondContact O-CG 3.31Å; D820-R824 PolarHBondContact O-N 2.97Å; D820-R824 IonicContact OD1-CZ 2.67Å; D820-R824 IonicContact OD1-NE 3.56Å; D820-R824 PolarHBondContact OD1-NE 3.38Å; D820-R824 IonicContact OD1-NH2 4Å; D820-R824 IonicContact OD2-CZ 2.62Å; D820-R824 IonicContact OD2-NE 2.71Å; D820-R824 PolarHBondContact OD2-NE 3.2Å; D820-R824 IonicContact OD2-NH2 3.15Å; D820-R824 PolarHBondContact OD2-NH2 2.83Å; A821-R824 PolarHBondContact O-N 3.43Å; K822-R824 VanDerWaalsContact C-N 3.34Å; K822-R824 PolarHBondContact O-N 3.46Å; R824-A828 VanDerWaalsContact O-CB 3.22Å; R824-A828 WeakPolarHBondContact O-CB 3.48Å; R824-A828 PolarHBondContact O-N 3.21Å |
| 825 | Y | 97.3 | Very high | 95.3 | Very high | 35 Ų | 35 | 65 Ų | 65 | 14% | 0.137 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.2 | -48.7 | 170.8 | 169.5 | -95 | 0 | 0 | 0 | 111.8 | L796 H800 A821 K822 A828 L829 | L796-Y825 HydrophobicContact CD1-CD2 3.68Å; L796-Y825 HydrophobicContact CD1-CE2 3.33Å; L796-Y825 HydrophobicContact CD1-CG 4.5Å; L796-Y825 HydrophobicContact CG-CD2 4.38Å; L796-Y825 HydrophobicContact CG-CE2 3.99Å; L796-Y825 WeakPolarHBondContact O-CD2 3.27Å; H800-Y825 HydrophobicContact CB-CD2 4.04Å; H800-Y825 HydrophobicContact CB-CE2 3.84Å; H800-Y825 AromaticContact ND1-CE2 3.92Å; A821-Y825 WeakPolarHBondContact O-CB 3.39Å; A821-Y825 PolarHBondContact O-N 3.4Å; K822-Y825 WeakPolarHBondContact O-CB 3.35Å; K822-Y825 PolarHBondContact O-N 2.92Å; Y825-A828 PolarHBondContact O-N 3.33Å; Y825-L829 WeakPolarHBondContact O-CB 3.42Å; Y825-L829 PolarHBondContact O-N 3.3Å |
| 826 | T | 97.1 | Very high | 95 | Very high | 54 Ų | 54 | 61.7 Ų | 61.7 | 33% | 0.331 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.5 | -43.6 | -179.4 | -63.2 | 0 | 0 | 0 | 0 | 112 | K822 N823 L829 Q830 | K822-T826 PolarHBondContact O-N 3.43Å; K822-T826 PolarHBondContact O-OG1 3.02Å; N823-T826 PolarHBondContact O-N 2.85Å; T826-L829 PolarHBondContact O-N 2.8Å; T826-Q830 WeakPolarHBondContact O-CB 3.46Å; T826-Q830 VanDerWaalsContact O-CG 3.32Å; T826-Q830 WeakPolarHBondContact O-CG 3.46Å; T826-Q830 PolarHBondContact O-N 2.86Å |
| 827 | L | 97.3 | Very high | 94.3 | Very high | 108 Ų | 108 | 55.4 Ų | 55.4 | 57% | 0.565 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.4 | -44.5 | 176.4 | -72 | 172.2 | 0 | 0 | 0 | 111.4 | N823 L829 Q830 E831 | N823-L827 WeakPolarHBondContact O-CB 3.4Å; N823-L827 VanDerWaalsContact O-CG 3.29Å; N823-L827 WeakPolarHBondContact O-CG 3.37Å; N823-L827 PolarHBondContact O-N 3.22Å; L827-L829 VanDerWaalsContact C-N 3.34Å; L827-L829 PolarHBondContact O-N 3Å; L827-Q830 PolarHBondContact O-N 3.44Å; L827-E831 WeakPolarHBondContact O-CB 3.34Å; L827-E831 PolarHBondContact O-N 2.71Å |
| 828 | A | 96.8 | Very high | 93 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 3% | 0.025 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q795 L796 R824 Y825 Y832 | Q795-A828 HydrophobicContact CB-CB 3.79Å; L796-A828 HydrophobicContact CB-CB 4.5Å; R824-A828 VanDerWaalsContact O-CB 3.22Å; R824-A828 WeakPolarHBondContact O-CB 3.48Å; R824-A828 PolarHBondContact O-N 3.21Å; Y825-A828 PolarHBondContact O-N 3.33Å; A828-Y832 WeakPolarHBondContact O-CB 3.39Å; A828-Y832 PolarHBondContact O-N 3.42Å |
| 829 | L | 96.1 | Very high | 91.8 | Very high | 22 Ų | 22 | 60.6 Ų | 60.6 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61 | -46 | 174.7 | -178.7 | 58.4 | 0 | 0 | 0 | 111.7 | L796 Y825 T826 L827 T833 V911 V912 | L796-L829 HydrophobicContact CD1-CB 3.63Å; L796-L829 HydrophobicContact CD1-CD1 4Å; L796-L829 HydrophobicContact CD1-CG 4.32Å; L796-L829 HydrophobicContact CD2-CD1 4.43Å; Y825-L829 WeakPolarHBondContact O-CB 3.42Å; Y825-L829 PolarHBondContact O-N 3.3Å; T826-L829 PolarHBondContact O-N 2.8Å; L827-L829 VanDerWaalsContact C-N 3.34Å; L827-L829 PolarHBondContact O-N 3Å; L829-T833 VanDerWaalsContact O-CB 3.25Å; L829-T833 WeakPolarHBondContact O-CB 3.46Å; L829-T833 PolarHBondContact O-N 3.36Å; L829-T833 PolarHBondContact O-OG1 2.81Å; L829-V911 HydrophobicContact CD2-CG1 4.44Å; L829-V912 HydrophobicContact CD1-CB 4.48Å; L829-V912 HydrophobicContact CD1-CG2 3.97Å |
| 830 | Q | 95.2 | Very high | 90.8 | Very high | 113 Ų | 113 | 56.3 Ų | 56.3 | 53% | 0.528 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65 | -47.8 | 179.8 | -74.3 | 174.2 | -16.9 | 0 | 0 | 111.7 | T826 L827 Y832 T833 K834 | T826-Q830 WeakPolarHBondContact O-CB 3.46Å; T826-Q830 VanDerWaalsContact O-CG 3.32Å; T826-Q830 WeakPolarHBondContact O-CG 3.46Å; T826-Q830 PolarHBondContact O-N 2.86Å; L827-Q830 PolarHBondContact O-N 3.44Å; Q830-Y832 PolarHBondContact O-N 2.72Å; Q830-T833 WeakPolarHBondContact O-CB 3.31Å; Q830-T833 PolarHBondContact O-N 2.9Å; Q830-K834 WeakPolarHBondContact O-CB 3.47Å; Q830-K834 PolarHBondContact O-N 2.67Å |
| 831 | E | 94.7 | Very high | 90.2 | Very high | 88 Ų | 88 | 53.7 Ų | 53.7 | 41% | 0.411 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.8 | -38.5 | -178.2 | -165.5 | 60.1 | -153.2 | 0 | 0 | 111.7 | E792 L827 K834 T835 | E792-E831 HydrophobicContact CG-CB 4.03Å; E792-E831 HydrophobicContact CG-CG 4.07Å; L827-E831 WeakPolarHBondContact O-CB 3.34Å; L827-E831 PolarHBondContact O-N 2.71Å; E831-K834 PolarHBondContact O-N 2.89Å; E831-T835 WeakPolarHBondContact O-CB 3.3Å; E831-T835 PolarHBondContact O-N 2.71Å; E831-T835 PolarHBondContact O-OG1 2.95Å |
| 832 | Y | 94.6 | Very high | 89.7 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 172.5 | -175.8 | -115.4 | 0 | 0 | 0 | 111.6 | P790 E792 V793 A828 Q830 K834 T835 C836 V898 H901 V912 | P790-Y832 HydrophobicContact CB-CD2 4.35Å; P790-Y832 HydrophobicContact CB-CE2 4.24Å; P790-Y832 HydrophobicContact CG-CE2 4.07Å; E792-Y832 HydrophobicContact CB-CD2 4.42Å; E792-Y832 HydrophobicContact CB-CG 4.49Å; V793-Y832 HydrophobicContact CG2-CD1 4.18Å; V793-Y832 HydrophobicContact CG2-CD2 3.47Å; V793-Y832 VanDerWaalsContact CG2-CD2 3.47Å; V793-Y832 HydrophobicContact CG2-CE1 4Å; V793-Y832 HydrophobicContact CG2-CE2 3.28Å; V793-Y832 HydrophobicContact CG2-CG 3.93Å; A828-Y832 WeakPolarHBondContact O-CB 3.39Å; A828-Y832 PolarHBondContact O-N 3.42Å; Q830-Y832 PolarHBondContact O-N 2.72Å; Y832-K834 PolarHBondContact O-N 3.42Å; Y832-T835 PolarHBondContact O-N 2.86Å; Y832-C836 PolarHBondContact O-N 2.97Å; Y832-C836 PolarHBondContact O-SG 2.8Å; Y832-V898 HydrophobicContact CE1-CG2 4.41Å; Y832-H901 AromaticContact CE2-ND1 3.77Å; Y832-H901 AromaticContact CZ-ND1 3.72Å; Y832-H901 PolarHBondContact OH-ND1 2.9Å; Y832-V912 HydrophobicContact CD1-CG1 3.9Å; Y832-V912 HydrophobicContact CE1-CG1 3.72Å |
| 833 | T | 92.8 | Very high | 89.4 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59 | -48.2 | 177.6 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | L829 Q830 T835 C836 M837 S915 I916 E919 | L829-T833 VanDerWaalsContact O-CB 3.25Å; L829-T833 WeakPolarHBondContact O-CB 3.46Å; L829-T833 PolarHBondContact O-N 3.36Å; L829-T833 PolarHBondContact O-OG1 2.81Å; Q830-T833 WeakPolarHBondContact O-CB 3.31Å; Q830-T833 PolarHBondContact O-N 2.9Å; T833-T835 VanDerWaalsContact C-N 3.34Å; T833-T835 PolarHBondContact O-N 3.47Å; T833-C836 VanDerWaalsContact O-CB 3.3Å; T833-C836 WeakPolarHBondContact O-CB 3.32Å; T833-C836 PolarHBondContact O-N 3.4Å; T833-C836 VanDerWaalsContact O-N 3.09Å; T833-M837 WeakPolarHBondContact O-CG 3.48Å; T833-M837 PolarHBondContact O-N 2.97Å; T833-S915 PolarHBondContact OG1-OG 2.99Å; T833-I916 HydrophobicContact CG2-CG1 4.08Å; T833-E919 HydrophobicContact CG2-CB 3.51Å; T833-E919 HydrophobicContact CG2-CG 3.96Å |
| 834 | K | 88 | Confident | 89 | Confident | 132 Ų | 132 | 55.9 Ų | 55.9 | 57% | 0.574 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -59.4 | -42.9 | 176.6 | -174 | -177.8 | 177.8 | -171.7 | 0 | 112 | Q830 E831 Y832 C836 M837 | Q830-K834 WeakPolarHBondContact O-CB 3.47Å; Q830-K834 PolarHBondContact O-N 2.67Å; E831-K834 PolarHBondContact O-N 2.89Å; Y832-K834 PolarHBondContact O-N 3.42Å; K834-C836 VanDerWaalsContact C-N 3.26Å; K834-C836 PolarHBondContact O-N 2.8Å; K834-M837 WeakPolarHBondContact O-CB 3.44Å; K834-M837 PolarHBondContact O-N 3.26Å; K834-M837 VanDerWaalsContact O-N 3.11Å |
| 835 | T | 87.9 | Confident | 88.6 | Confident | 76 Ų | 76 | 53 Ų | 53 | 47% | 0.466 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.5 | -31.7 | 176.5 | -59 | 0 | 0 | 0 | 0 | 112.3 | E831 Y832 T833 M837 | E831-T835 WeakPolarHBondContact O-CB 3.3Å; E831-T835 PolarHBondContact O-N 2.71Å; E831-T835 PolarHBondContact O-OG1 2.95Å; Y832-T835 PolarHBondContact O-N 2.86Å; T833-T835 VanDerWaalsContact C-N 3.34Å; T833-T835 PolarHBondContact O-N 3.47Å; T835-M837 VanDerWaalsContact C-N 3.32Å |
| 836 | C | 87 | Confident | 88.3 | Confident | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.6 | -26.3 | 174.9 | -78.6 | 0 | 0 | 0 | 0 | 113.5 | Y832 T833 K834 G838 L894 I916 | Y832-C836 PolarHBondContact O-N 2.97Å; Y832-C836 PolarHBondContact O-SG 2.8Å; T833-C836 VanDerWaalsContact O-CB 3.3Å; T833-C836 WeakPolarHBondContact O-CB 3.32Å; T833-C836 PolarHBondContact O-N 3.4Å; T833-C836 VanDerWaalsContact O-N 3.09Å; K834-C836 VanDerWaalsContact C-N 3.26Å; K834-C836 PolarHBondContact O-N 2.8Å; C836-G838 VanDerWaalsContact C-N 3.3Å; C836-G838 PolarHBondContact O-N 2.9Å; C836-L894 HydrophobicContact CB-CD1 3.88Å; C836-L894 HydrophobicContact CB-CD2 4.35Å; C836-I916 HydrophobicContact CB-CD1 4.19Å; C836-I916 HydrophobicContact CB-CG1 4.34Å |
| 837 | M | 80.9 | Confident | 88.1 | Confident | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.9 | -23.5 | -175.6 | -65.7 | -47.6 | -52.2 | 0 | 0 | 114.8 | T833 K834 T835 R839 E919 F920 Q923 | T833-M837 WeakPolarHBondContact O-CG 3.48Å; T833-M837 PolarHBondContact O-N 2.97Å; K834-M837 WeakPolarHBondContact O-CB 3.44Å; K834-M837 PolarHBondContact O-N 3.26Å; K834-M837 VanDerWaalsContact O-N 3.11Å; T835-M837 VanDerWaalsContact C-N 3.32Å; M837-R839 VanDerWaalsContact C-N 3.27Å; M837-R839 PolarHBondContact O-N 2.89Å; M837-E919 HydrophobicContact CG-CB 4.46Å; M837-E919 HydrophobicContact CG-CG 3.62Å; M837-E919 HydrophobicContact SD-CB 4.08Å; M837-E919 HydrophobicContact SD-CG 3.84Å; M837-F920 HydrophobicContact CE-CB 3.87Å; M837-F920 HydrophobicContact CE-CD2 3.42Å; M837-F920 VanDerWaalsContact CE-CD2 3.42Å; M837-F920 HydrophobicContact CE-CE2 4.19Å; M837-F920 HydrophobicContact CE-CG 3.98Å; M837-F920 HydrophobicContact SD-CB 4.2Å; M837-F920 HydrophobicContact SD-CD2 4.25Å; M837-Q923 HydrophobicContact CE-CB 4.22Å |
| 838 | G | 69.5 | Low | 87.9 | Confident | 38 Ų | 38 | 47 Ų | 47 | 39% | 0.392 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -14.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | C836 E842 | C836-G838 VanDerWaalsContact C-N 3.3Å; C836-G838 PolarHBondContact O-N 2.9Å; G838-E842 WeakPolarHBondContact O-CA 3.49Å; G838-E842 WeakPolarHBondContact O-CB 3.31Å; G838-E842 WeakPolarHBondContact O-CG 3.3Å |
| 839 | R | 68.9 | Low | 87.6 | Confident | 174 Ų | 174 | 52 Ų | 52 | 66% | 0.657 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -38.3 | -170.4 | -70.2 | -165.9 | -179 | -162.8 | -4.8 | 117.2 | M837 L841 | M837-R839 VanDerWaalsContact C-N 3.27Å; M837-R839 PolarHBondContact O-N 2.89Å; R839-L841 VanDerWaalsContact C-N 3.35Å |
| 840 | P | 76.7 | Confident | 87.5 | Confident | 7 Ų | 7 | 54.8 Ų | 54.8 | 5% | 0.045 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -25.5 | -175.8 | -10.4 | 24.4 | 0 | 0 | 0 | 113 | Y882 L891 L894 F920 | P840-Y882 WeakPolarHBondContact O-CE1 3.14Å; P840-L891 HydrophobicContact CG-CD2 4.5Å; P840-L894 HydrophobicContact CG-CD2 3.87Å; P840-F920 HydrophobicContact CB-CE2 3.78Å; P840-F920 HydrophobicContact CB-CZ 4.39Å; P840-F920 HydrophobicContact CG-CD2 4.49Å; P840-F920 HydrophobicContact CG-CE2 3.92Å |
| 841 | L | 84.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133 | 32.9 | -175.1 | -65.7 | 178.7 | 0 | 0 | 0 | 112 | R839 K843 L844 A845 Y882 V887 F920 F927 | R839-L841 VanDerWaalsContact C-N 3.35Å; L841-K843 PolarHBondContact O-N 3.2Å; L841-L844 HydrophobicContact CB-CB 4.29Å; L841-L844 HydrophobicContact CD1-CD2 4.31Å; L841-L844 HydrophobicContact CD2-CD2 4.08Å; L841-L844 WeakPolarHBondContact O-CB 3.48Å; L841-L844 PolarHBondContact O-N 2.75Å; L841-L844 VanDerWaalsContact O-N 3.11Å; L841-A845 WeakPolarHBondContact O-CB 3.37Å; L841-A845 PolarHBondContact O-N 2.87Å; L841-Y882 HydrophobicContact CD2-CD1 3.72Å; L841-Y882 HydrophobicContact CD2-CE1 4.34Å; L841-Y882 HydrophobicContact CD2-CG 3.97Å; L841-V887 HydrophobicContact CD2-CG2 3.93Å; L841-F920 HydrophobicContact CD1-CE1 4.07Å; L841-F920 HydrophobicContact CD1-CE2 3.86Å; L841-F920 HydrophobicContact CD1-CZ 3.39Å; L841-F920 HydrophobicContact CG-CE2 4.06Å; L841-F920 HydrophobicContact CG-CZ 3.77Å; L841-F927 HydrophobicContact CD1-CE2 4.13Å |
| 842 | E | 86.4 | Confident | 87.3 | Confident | 128 Ų | 128 | 47.7 Ų | 47.7 | 60% | 0.598 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -48.1 | -56 | -167.8 | -170.6 | 174 | 179.8 | 0 | 0 | 114.9 | G838 A845 S846 Y882 | G838-E842 WeakPolarHBondContact O-CA 3.49Å; G838-E842 WeakPolarHBondContact O-CB 3.31Å; G838-E842 WeakPolarHBondContact O-CG 3.3Å; E842-A845 PolarHBondContact O-N 3.47Å; E842-S846 WeakPolarHBondContact O-CB 3.48Å; E842-S846 PolarHBondContact O-N 3.49Å; E842-Y882 PolarHBondContact N-OH 3.18Å |
| 843 | K | 89.2 | Confident | 87.2 | Confident | 109 Ų | 109 | 50.9 Ų | 50.9 | 47% | 0.474 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -70.8 | -33.7 | -178 | -64.2 | 172.5 | 177.3 | -178.9 | 0 | 112.1 | L841 F847 V878 E881 Y882 | L841-K843 PolarHBondContact O-N 3.2Å; K843-F847 WeakPolarHBondContact O-CB 3.25Å; K843-F847 PolarHBondContact O-N 3.43Å; K843-V878 HydrophobicContact CB-CG1 4.43Å; K843-E881 WeakPolarHBondContact CD-OE2 3.42Å; K843-E881 WeakPolarHBondContact CE-OE2 3.41Å; K843-E881 IonicContact NZ-OE1 3.86Å; K843-E881 IonicContact NZ-OE2 2.99Å; K843-E881 PolarHBondContact NZ-OE2 3.46Å; K843-Y882 HydrophobicContact CB-CE2 3.99Å; K843-Y882 WeakPolarHBondContact CB-OH 3.43Å; K843-Y882 PolarHBondContact N-OH 3.38Å |
| 844 | L | 89.2 | Confident | 87.1 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 175.1 | -167.9 | 70.2 | 0 | 0 | 0 | 110.4 | L841 F847 F848 V878 I879 Y882 F927 L942 | L841-L844 HydrophobicContact CB-CB 4.29Å; L841-L844 HydrophobicContact CD1-CD2 4.31Å; L841-L844 HydrophobicContact CD2-CD2 4.08Å; L841-L844 WeakPolarHBondContact O-CB 3.48Å; L841-L844 PolarHBondContact O-N 2.75Å; L841-L844 VanDerWaalsContact O-N 3.11Å; L844-F847 PolarHBondContact O-N 2.79Å; L844-F848 HydrophobicContact CD1-CD2 4.17Å; L844-F848 HydrophobicContact CD1-CE2 3.64Å; L844-F848 HydrophobicContact CG-CD2 4.05Å; L844-F848 HydrophobicContact CG-CE2 3.93Å; L844-F848 VanDerWaalsContact O-CD2 3.22Å; L844-F848 WeakPolarHBondContact O-CD2 3.45Å; L844-F848 PolarHBondContact O-N 3.38Å; L844-V878 HydrophobicContact CB-CG1 4.25Å; L844-V878 HydrophobicContact CD1-CG1 3.83Å; L844-I879 HydrophobicContact CD1-CG1 4.1Å; L844-Y882 HydrophobicContact CB-CD2 4Å; L844-Y882 HydrophobicContact CB-CE2 3.92Å; L844-F927 HydrophobicContact CD2-CD2 3.78Å; L844-F927 HydrophobicContact CD2-CE2 3.88Å; L844-F927 HydrophobicContact CG-CD2 4.09Å; L844-F927 HydrophobicContact CG-CE2 4.03Å; L844-L942 HydrophobicContact CD1-CD2 4.5Å; L844-L942 HydrophobicContact CD2-CD2 4Å |
| 845 | A | 89.7 | Confident | 87.2 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.9 | -48 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L841 E842 F847 F848 E849 F927 | L841-A845 WeakPolarHBondContact O-CB 3.37Å; L841-A845 PolarHBondContact O-N 2.87Å; E842-A845 PolarHBondContact O-N 3.47Å; A845-F847 PolarHBondContact O-N 3.4Å; A845-F848 PolarHBondContact O-N 3.3Å; A845-E849 WeakPolarHBondContact O-CB 3.4Å; A845-E849 WeakPolarHBondContact O-CG 3.41Å; A845-E849 PolarHBondContact O-N 2.79Å; A845-F927 HydrophobicContact CB-CZ 4.04Å |
| 846 | S | 90.8 | Very high | 87.4 | Confident | 58 Ų | 58 | 48.5 Ų | 48.5 | 41% | 0.406 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 112.4 | E842 F848 E849 N850 | E842-S846 WeakPolarHBondContact O-CB 3.48Å; E842-S846 PolarHBondContact O-N 3.49Å; S846-F848 PolarHBondContact O-N 2.93Å; S846-E849 PolarHBondContact O-N 2.86Å; S846-N850 PolarHBondContact O-N 3.12Å; S846-N850 VanDerWaalsContact O-N 3.09Å; S846-N850 PolarHBondContact O-ND2 2.88Å |
| 847 | F | 92.8 | Very high | 87.7 | Confident | 13 Ų | 13 | 52.3 Ų | 52.3 | 6% | 0.057 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.6 | -49.9 | 175.9 | -178.6 | -90.2 | 0 | 0 | 0 | 111.2 | K843 L844 A845 N850 V851 F870 Q874 L875 V878 | K843-F847 WeakPolarHBondContact O-CB 3.25Å; K843-F847 PolarHBondContact O-N 3.43Å; L844-F847 PolarHBondContact O-N 2.79Å; A845-F847 PolarHBondContact O-N 3.4Å; F847-N850 PolarHBondContact O-N 2.93Å; F847-V851 HydrophobicContact CD1-CG2 4.15Å; F847-V851 HydrophobicContact CE1-CG2 3.75Å; F847-V851 HydrophobicContact CZ-CG2 4.18Å; F847-V851 WeakPolarHBondContact O-CG2 3.15Å; F847-V851 PolarHBondContact O-N 3.25Å; F847-F870 HydrophobicContact CE2-CD1 4.31Å; F847-F870 HydrophobicContact CZ-CB 4.48Å; F847-F870 HydrophobicContact CZ-CD1 4.46Å; F847-Q874 HydrophobicContact CD2-CG 4.41Å; F847-Q874 HydrophobicContact CE2-CB 4.33Å; F847-Q874 HydrophobicContact CE2-CG 3.84Å; F847-L875 HydrophobicContact CD1-CD1 4.1Å; F847-L875 HydrophobicContact CE1-CB 4.11Å; F847-L875 HydrophobicContact CE1-CD1 3.61Å; F847-L875 HydrophobicContact CE1-CG 4.41Å; F847-L875 HydrophobicContact CZ-CB 3.89Å; F847-L875 HydrophobicContact CZ-CD1 4.26Å; F847-V878 HydrophobicContact CB-CG1 4.17Å; F847-V878 HydrophobicContact CB-CG2 4.42Å; F847-V878 HydrophobicContact CD2-CG2 4.02Å; F847-V878 HydrophobicContact CG-CG2 4.34Å |
| 848 | F | 93.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -74.6 | -26.7 | -178.7 | -76.2 | -65.1 | 0 | 0 | 0 | 114.4 | L844 A845 S846 N850 V851 Q852 L875 F927 L930 I931 | L844-F848 HydrophobicContact CD1-CD2 4.17Å; L844-F848 HydrophobicContact CD1-CE2 3.64Å; L844-F848 HydrophobicContact CG-CD2 4.05Å; L844-F848 HydrophobicContact CG-CE2 3.93Å; L844-F848 VanDerWaalsContact O-CD2 3.22Å; L844-F848 WeakPolarHBondContact O-CD2 3.45Å; L844-F848 PolarHBondContact O-N 3.38Å; A845-F848 PolarHBondContact O-N 3.3Å; S846-F848 PolarHBondContact O-N 2.93Å; F848-N850 VanDerWaalsContact C-N 3.35Å; F848-V851 PolarHBondContact O-N 2.84Å; F848-Q852 VanDerWaalsContact O-CB 3.32Å; F848-Q852 WeakPolarHBondContact O-CB 3.41Å; F848-Q852 PolarHBondContact O-N 2.95Å; F848-L875 HydrophobicContact CE1-CD1 4.29Å; F848-L875 HydrophobicContact CE2-CD1 4.37Å; F848-L875 HydrophobicContact CZ-CD1 3.67Å; F848-F927 HydrophobicContact CB-CD1 3.5Å; F848-F927 HydrophobicContact CB-CE1 3.52Å; F848-F927 HydrophobicContact CD1-CD1 4.35Å; F848-F927 HydrophobicContact CD2-CB 3.81Å; F848-F927 AromaticContact CD2-CD1 3.24Å; F848-F927 HydrophobicContact CD2-CD1 3.24Å; F848-F927 HydrophobicContact CD2-CD2 4.05Å; F848-F927 AromaticContact CD2-CE1 3.72Å; F848-F927 HydrophobicContact CD2-CE1 3.72Å; F848-F927 HydrophobicContact CD2-CE2 4.44Å; F848-F927 AromaticContact CD2-CG 3.43Å; F848-F927 HydrophobicContact CD2-CG 3.43Å; F848-F927 VanDerWaalsContact CD2-CG 3.43Å; F848-F927 HydrophobicContact CD2-CZ 4.29Å; F848-F927 HydrophobicContact CE2-CB 3.68Å; F848-F927 HydrophobicContact CE2-CD1 4.04Å; F848-F927 HydrophobicContact CE2-CD2 4.32Å; F848-F927 AromaticContact CE2-CG 3.77Å; F848-F927 HydrophobicContact CE2-CG 3.77Å; F848-F927 HydrophobicContact CG-CB 4.38Å; F848-F927 AromaticContact CG-CD1 3.44Å; F848-F927 HydrophobicContact CG-CD1 3.44Å; F848-F927 VanDerWaalsContact CG-CD1 3.44Å; F848-F927 AromaticContact CG-CE1 3.92Å; F848-F927 HydrophobicContact CG-CE1 3.92Å; F848-F927 HydrophobicContact CG-CG 4.05Å; F848-F927 HydrophobicContact CZ-CB 4.15Å; F848-L930 HydrophobicContact CB-CD1 4.03Å; F848-L930 HydrophobicContact CD1-CB 3.82Å; F848-L930 HydrophobicContact CD1-CD1 3.79Å; F848-L930 HydrophobicContact CD1-CG 4.48Å; F848-L930 HydrophobicContact CE1-CB 3.99Å; F848-L930 HydrophobicContact CG-CD1 4.26Å; F848-I931 HydrophobicContact CE1-CG1 3.79Å; F848-I931 HydrophobicContact CZ-CD1 3.78Å; F848-I931 HydrophobicContact CZ-CG1 3.49Å; F848-I931 VanDerWaalsContact CZ-CG1 3.49Å |
| 849 | E | 92 | Very high | 89 | Confident | 108 Ų | 108 | 54.9 Ų | 54.9 | 51% | 0.505 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 169.4 | -80.7 | -176.2 | 171.4 | 0 | 0 | 111.7 | A845 S846 Q852 S853 | A845-E849 WeakPolarHBondContact O-CB 3.4Å; A845-E849 WeakPolarHBondContact O-CG 3.41Å; A845-E849 PolarHBondContact O-N 2.79Å; S846-E849 PolarHBondContact O-N 2.86Å; E849-Q852 PolarHBondContact O-N 3.21Å; E849-S853 WeakPolarHBondContact O-CB 3.44Å; E849-S853 PolarHBondContact O-N 2.87Å; E849-S853 PolarHBondContact O-OG 3.44Å |
| 850 | N | 92.4 | Very high | 89.8 | Confident | 82 Ų | 82 | 54.2 Ų | 54.2 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.8 | -38.3 | 175.2 | -68.8 | -44.5 | 0 | 0 | 0 | 111.9 | S846 F847 F848 S853 A854 F870 | S846-N850 PolarHBondContact O-N 3.12Å; S846-N850 VanDerWaalsContact O-N 3.09Å; S846-N850 PolarHBondContact O-ND2 2.88Å; F847-N850 PolarHBondContact O-N 2.93Å; F848-N850 VanDerWaalsContact C-N 3.35Å; N850-S853 PolarHBondContact O-N 3.26Å; N850-A854 WeakPolarHBondContact O-CB 3.13Å; N850-A854 PolarHBondContact O-N 3.24Å; N850-F870 HydrophobicContact CB-CE1 3.57Å; N850-F870 HydrophobicContact CB-CZ 3.91Å |
| 851 | V | 93.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 171.8 | 167.5 | 0 | 0 | 0 | 0 | 110.9 | F847 F848 S853 A854 L855 V864 F870 L930 | F847-V851 HydrophobicContact CD1-CG2 4.15Å; F847-V851 HydrophobicContact CE1-CG2 3.75Å; F847-V851 HydrophobicContact CZ-CG2 4.18Å; F847-V851 WeakPolarHBondContact O-CG2 3.15Å; F847-V851 PolarHBondContact O-N 3.25Å; F848-V851 PolarHBondContact O-N 2.84Å; V851-S853 VanDerWaalsContact C-N 3.34Å; V851-S853 PolarHBondContact O-N 2.95Å; V851-A854 WeakPolarHBondContact O-CB 3.38Å; V851-A854 PolarHBondContact O-N 3Å; V851-L855 HydrophobicContact CG1-CD1 4.46Å; V851-L855 WeakPolarHBondContact O-CG 3.41Å; V851-L855 PolarHBondContact O-N 2.92Å; V851-V864 HydrophobicContact CG1-CG1 4.11Å; V851-V864 HydrophobicContact CG2-CG1 4.48Å; V851-F870 HydrophobicContact CG2-CB 4.22Å; V851-F870 HydrophobicContact CG2-CD1 3.61Å; V851-F870 HydrophobicContact CG2-CE1 4.18Å; V851-F870 HydrophobicContact CG2-CG 3.95Å; V851-L930 HydrophobicContact CG1-CD2 4.47Å |
| 852 | Q | 92.7 | Very high | 90.2 | Very high | 52 Ų | 52 | 60.8 Ų | 60.8 | 24% | 0.243 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 177.5 | -174.2 | 67.1 | 58.5 | 0 | 0 | 111.3 | F848 E849 A854 L855 D856 | F848-Q852 VanDerWaalsContact O-CB 3.32Å; F848-Q852 WeakPolarHBondContact O-CB 3.41Å; F848-Q852 PolarHBondContact O-N 2.95Å; E849-Q852 PolarHBondContact O-N 3.21Å; Q852-A854 VanDerWaalsContact C-N 3.26Å; Q852-A854 PolarHBondContact O-N 3.03Å; Q852-L855 WeakPolarHBondContact O-CB 3.46Å; Q852-L855 PolarHBondContact O-N 3.48Å; Q852-L855 VanDerWaalsContact O-N 3.1Å; Q852-D856 PolarHBondContact NE2-OD1 3.29Å; Q852-D856 PolarHBondContact O-N 3.43Å |
| 853 | S | 93 | Very high | 90.2 | Very high | 69 Ų | 69 | 58 Ų | 58 | 48% | 0.483 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.4 | -35.5 | 177 | -59 | 0 | 0 | 0 | 0 | 112.1 | E849 N850 V851 A857 | E849-S853 WeakPolarHBondContact O-CB 3.44Å; E849-S853 PolarHBondContact O-N 2.87Å; E849-S853 PolarHBondContact O-OG 3.44Å; N850-S853 PolarHBondContact O-N 3.26Å; V851-S853 VanDerWaalsContact C-N 3.34Å; V851-S853 PolarHBondContact O-N 2.95Å; S853-A857 VanDerWaalsContact O-CB 3.31Å; S853-A857 WeakPolarHBondContact O-CB 3.49Å; S853-A857 PolarHBondContact O-N 3.5Å |
| 854 | A | 90.9 | Very high | 90.1 | Very high | 12 Ų | 12 | 52.9 Ų | 52.9 | 10% | 0.099 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67 | -42.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N850 V851 Q852 A857 V859 F870 | N850-A854 WeakPolarHBondContact O-CB 3.13Å; N850-A854 PolarHBondContact O-N 3.24Å; V851-A854 WeakPolarHBondContact O-CB 3.38Å; V851-A854 PolarHBondContact O-N 3Å; Q852-A854 VanDerWaalsContact C-N 3.26Å; Q852-A854 PolarHBondContact O-N 3.03Å; A854-A857 PolarHBondContact O-N 3.17Å; A854-V859 HydrophobicContact CB-CB 4.43Å; A854-V859 HydrophobicContact CB-CG2 4.22Å; A854-V859 WeakPolarHBondContact O-CB 3.38Å; A854-V859 WeakPolarHBondContact O-CG2 3.22Å; A854-V859 PolarHBondContact O-N 3.3Å; A854-F870 HydrophobicContact CB-CE2 3.83Å; A854-F870 HydrophobicContact CB-CZ 4.4Å |
| 855 | L | 90.7 | Very high | 89.9 | Confident | 30 Ų | 30 | 53.5 Ų | 53.5 | 16% | 0.157 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 174.1 | -66.6 | 173.2 | 0 | 0 | 0 | 111.6 | V851 Q852 A857 G858 V859 V864 L930 | V851-L855 HydrophobicContact CG1-CD1 4.46Å; V851-L855 WeakPolarHBondContact O-CG 3.41Å; V851-L855 PolarHBondContact O-N 2.92Å; Q852-L855 WeakPolarHBondContact O-CB 3.46Å; Q852-L855 PolarHBondContact O-N 3.48Å; Q852-L855 VanDerWaalsContact O-N 3.1Å; L855-A857 VanDerWaalsContact C-N 3.26Å; L855-A857 PolarHBondContact O-N 3.37Å; L855-G858 WeakPolarHBondContact O-CA 3.37Å; L855-G858 PolarHBondContact O-N 2.82Å; L855-V859 WeakPolarHBondContact CD2-O 3.33Å; L855-V864 HydrophobicContact CD2-CG2 3.62Å; L855-V864 HydrophobicContact CG-CG2 4.33Å; L855-L930 HydrophobicContact CD1-CD2 3.56Å |
| 856 | D | 91.8 | Very high | 89.8 | Confident | 119 Ų | 119 | 62.3 Ų | 62.3 | 64% | 0.636 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66 | -29.6 | 180 | -62.9 | -13.9 | 0 | 0 | 0 | 111.7 | Q852 G858 | Q852-D856 PolarHBondContact NE2-OD1 3.29Å; Q852-D856 PolarHBondContact O-N 3.43Å; D856-G858 PolarHBondContact O-N 3.5Å |
| 857 | A | 92.2 | Very high | 89.6 | Confident | 84 Ų | 84 | 63 Ų | 63 | 69% | 0.694 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 2.8 | 171 | 0 | 0 | 0 | 0 | 0 | 113.8 | S853 A854 L855 | S853-A857 VanDerWaalsContact O-CB 3.31Å; S853-A857 WeakPolarHBondContact O-CB 3.49Å; S853-A857 PolarHBondContact O-N 3.5Å; A854-A857 PolarHBondContact O-N 3.17Å; L855-A857 VanDerWaalsContact C-N 3.26Å; L855-A857 PolarHBondContact O-N 3.37Å |
| 858 | G | 89.1 | Confident | 89.3 | Confident | 61 Ų | 61 | 71.5 Ų | 71.5 | 63% | 0.629 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.3 | 9.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L855 D856 R860 | L855-G858 WeakPolarHBondContact O-CA 3.37Å; L855-G858 PolarHBondContact O-N 2.82Å; D856-G858 PolarHBondContact O-N 3.5Å; G858-R860 PolarHBondContact O-N 2.94Å |
| 859 | V | 88.6 | Confident | 89.1 | Confident | 38 Ų | 38 | 74.2 Ų | 74.2 | 23% | 0.23 | 40% | 0.402 | C | S | . | . | trans | -67.3 | 123 | 172 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | A854 L855 S861 V864 | A854-V859 HydrophobicContact CB-CB 4.43Å; A854-V859 HydrophobicContact CB-CG2 4.22Å; A854-V859 WeakPolarHBondContact O-CB 3.38Å; A854-V859 WeakPolarHBondContact O-CG2 3.22Å; A854-V859 PolarHBondContact O-N 3.3Å; L855-V859 WeakPolarHBondContact CD2-O 3.33Å; V859-S861 PolarHBondContact O-N 2.88Å; V859-V864 HydrophobicContact CB-CG2 4.42Å; V859-V864 HydrophobicContact CG1-CG2 3.76Å | ||
| 860 | R | 87.4 | Confident | 89.1 | Confident | 161 Ų | 161 | 70.2 Ų | 70.2 | 61% | 0.608 | 38% | 0.383 | S | S | * | . | trans | -61.1 | 136 | 175.8 | -69.4 | 176.5 | 62 | 144.7 | 3.7 | 110.4 | G858 E862 V863 V864 | G858-R860 PolarHBondContact O-N 2.94Å; R860-E862 IonicContact CZ-OE2 3.22Å; R860-E862 IonicContact NE-OE2 3.83Å; R860-E862 PolarHBondContact NE-OE2 3.37Å; R860-E862 IonicContact NH2-OE1 3.35Å; R860-E862 PolarHBondContact NH2-OE1 2.84Å; R860-E862 IonicContact NH2-OE2 2.73Å; R860-E862 PolarHBondContact NH2-OE2 3.1Å; R860-E862 PolarHBondContact O-N 3.32Å; R860-E862 VanDerWaalsContact O-N 3.16Å; R860-V863 HydrophobicContact CB-CG2 4.12Å; R860-V863 PolarHBondContact O-N 2.7Å; R860-V864 PolarHBondContact O-N 3.41Å | ||
| 861 | S | 86.5 | Confident | 89.1 | Confident | 42 Ų | 42 | 67.5 Ų | 67.5 | 29% | 0.294 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -51.5 | -40 | -179 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | V859 V863 V864 C934 | V859-S861 PolarHBondContact O-N 2.88Å; S861-V863 PolarHBondContact O-N 3.17Å; S861-V864 PolarHBondContact O-N 3.03Å; S861-C934 WeakPolarHBondContact O-CA 3.43Å |
| 862 | E | 83.5 | Confident | 88.9 | Confident | 103 Ų | 103 | 72 Ų | 72 | 48% | 0.481 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63 | -27.5 | 179.5 | -53.9 | 134.5 | 171.3 | 0 | 0 | 112.7 | R860 Y866 | R860-E862 IonicContact CZ-OE2 3.22Å; R860-E862 IonicContact NE-OE2 3.83Å; R860-E862 PolarHBondContact NE-OE2 3.37Å; R860-E862 IonicContact NH2-OE1 3.35Å; R860-E862 PolarHBondContact NH2-OE1 2.84Å; R860-E862 IonicContact NH2-OE2 2.73Å; R860-E862 PolarHBondContact NH2-OE2 3.1Å; R860-E862 PolarHBondContact O-N 3.32Å; R860-E862 VanDerWaalsContact O-N 3.16Å; E862-Y866 WeakPolarHBondContact O-CE2 3.29Å |
| 863 | V | 86.4 | Confident | 88.8 | Confident | 70 Ų | 70 | 77.2 Ų | 77.2 | 42% | 0.424 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -95.3 | -20.5 | -172.2 | -167.6 | 0 | 0 | 0 | 0 | 112.2 | R860 S861 S865 Y866 | R860-V863 HydrophobicContact CB-CG2 4.12Å; R860-V863 PolarHBondContact O-N 2.7Å; S861-V863 PolarHBondContact O-N 3.17Å; V863-S865 PolarHBondContact O-N 2.69Å; V863-Y866 HydrophobicContact CG1-CD2 4.37Å; V863-Y866 PolarHBondContact O-N 3.24Å |
| 864 | V | 86.4 | Confident | 88.8 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -51.7 | -43.5 | -178.7 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | V851 L855 V859 R860 S861 Y866 Q867 F870 C934 | V851-V864 HydrophobicContact CG1-CG1 4.11Å; V851-V864 HydrophobicContact CG2-CG1 4.48Å; L855-V864 HydrophobicContact CD2-CG2 3.62Å; L855-V864 HydrophobicContact CG-CG2 4.33Å; V859-V864 HydrophobicContact CB-CG2 4.42Å; V859-V864 HydrophobicContact CG1-CG2 3.76Å; R860-V864 PolarHBondContact O-N 3.41Å; S861-V864 PolarHBondContact O-N 3.03Å; V864-Y866 PolarHBondContact O-N 3.03Å; V864-Y866 VanDerWaalsContact O-N 3.12Å; V864-Q867 WeakPolarHBondContact O-CB 3.46Å; V864-Q867 PolarHBondContact O-N 2.95Å; V864-F870 HydrophobicContact CG1-CB 3.88Å; V864-F870 HydrophobicContact CG1-CD2 4.12Å; V864-F870 HydrophobicContact CG1-CG 4.22Å; V864-C934 HydrophobicContact CB-CB 4.16Å; V864-C934 HydrophobicContact CG1-CB 4.25Å |
| 865 | S | 85.5 | Confident | 88.8 | Confident | 15 Ų | 15 | 76.8 Ų | 76.8 | 11% | 0.105 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.4 | -177.7 | 68.7 | 0 | 0 | 0 | 0 | 115.6 | V863 S871 C934 Y935 | V863-S865 PolarHBondContact O-N 2.69Å; S865-S871 WeakPolarHBondContact O-CA 3.31Å; S865-C934 WeakPolarHBondContact CB-O 3.49Å; S865-Y935 VanDerWaalsContact CB-CD1 3.44Å; S865-Y935 VanDerWaalsContact CB-CE1 3.48Å |
| 866 | Y | 86.6 | Confident | 88.9 | Confident | 191 Ų | 191 | 79.8 Ų | 79.8 | 75% | 0.749 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -14 | 175.7 | -58.6 | -78.1 | 0 | 0 | 0 | 113.1 | E862 V863 V864 F868 | E862-Y866 WeakPolarHBondContact O-CE2 3.29Å; V863-Y866 HydrophobicContact CG1-CD2 4.37Å; V863-Y866 PolarHBondContact O-N 3.24Å; V864-Y866 PolarHBondContact O-N 3.03Å; V864-Y866 VanDerWaalsContact O-N 3.12Å; Y866-F868 PolarHBondContact O-N 3.42Å |
| 867 | Q | 87.1 | Confident | 88.9 | Confident | 74 Ų | 74 | 80.1 Ų | 80.1 | 35% | 0.346 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -69.9 | 130.3 | 172.3 | -63.8 | -167.8 | 5.1 | 0 | 0 | 109.2 | V864 A869 F870 S871 | V864-Q867 WeakPolarHBondContact O-CB 3.46Å; V864-Q867 PolarHBondContact O-N 2.95Å; Q867-A869 VanDerWaalsContact C-N 3.26Å; Q867-A869 PolarHBondContact O-N 3.5Å; Q867-F870 HydrophobicContact CB-CD2 3.93Å; Q867-F870 CarbonylContact O-C 3.4Å; Q867-F870 VanDerWaalsContact O-C 3.27Å; Q867-F870 PolarHBondContact O-N 2.86Å; Q867-F870 VanDerWaalsContact OE1-CE2 3.26Å; Q867-S871 PolarHBondContact O-N 3.37Å |
| 868 | F | 87.1 | Confident | 88.9 | Confident | 190 Ų | 190 | 76.6 Ų | 76.6 | 83% | 0.833 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -52.6 | -43.7 | -175.7 | 179.8 | -100.1 | 0 | 0 | 0 | 112.9 | Y866 F870 S871 | Y866-F868 PolarHBondContact O-N 3.42Å; F868-F870 PolarHBondContact O-N 2.96Å; F868-S871 PolarHBondContact O-N 2.98Å; F868-S871 PolarHBondContact O-OG 3.26Å |
| 869 | A | 88.7 | Confident | 89.1 | Confident | 58 Ų | 58 | 74.1 Ų | 74.1 | 48% | 0.479 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -63 | -24.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q867 | Q867-A869 VanDerWaalsContact C-N 3.26Å; Q867-A869 PolarHBondContact O-N 3.5Å |
| 870 | F | 92.3 | Very high | 89.2 | Confident | 24 Ų | 24 | 80 Ų | 80 | 11% | 0.105 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -120.5 | 23.2 | -177.6 | -47.3 | -51.1 | 0 | 0 | 0 | 111.3 | F847 N850 V851 A854 V864 Q867 F868 Y935 | F847-F870 HydrophobicContact CE2-CD1 4.31Å; F847-F870 HydrophobicContact CZ-CB 4.48Å; F847-F870 HydrophobicContact CZ-CD1 4.46Å; N850-F870 HydrophobicContact CB-CE1 3.57Å; N850-F870 HydrophobicContact CB-CZ 3.91Å; V851-F870 HydrophobicContact CG2-CB 4.22Å; V851-F870 HydrophobicContact CG2-CD1 3.61Å; V851-F870 HydrophobicContact CG2-CE1 4.18Å; V851-F870 HydrophobicContact CG2-CG 3.95Å; A854-F870 HydrophobicContact CB-CE2 3.83Å; A854-F870 HydrophobicContact CB-CZ 4.4Å; V864-F870 HydrophobicContact CG1-CB 3.88Å; V864-F870 HydrophobicContact CG1-CD2 4.12Å; V864-F870 HydrophobicContact CG1-CG 4.22Å; Q867-F870 HydrophobicContact CB-CD2 3.93Å; Q867-F870 CarbonylContact O-C 3.4Å; Q867-F870 VanDerWaalsContact O-C 3.27Å; Q867-F870 PolarHBondContact O-N 2.86Å; Q867-F870 VanDerWaalsContact OE1-CE2 3.26Å; F868-F870 PolarHBondContact O-N 2.96Å; F870-Y935 WeakPolarHBondContact O-CE1 3.41Å; F870-Y935 VanDerWaalsContact O-CZ 3.27Å; F870-Y935 PolarHBondContact O-OH 3.47Å |
| 871 | S | 91 | Very high | 89.4 | Confident | 25 Ų | 25 | 76 Ų | 76 | 18% | 0.175 | 37% | 0.366 | C | S | . | . | trans | -64.5 | 155.9 | -178.5 | 66.1 | 0 | 0 | 0 | 0 | 111.9 | S865 Q867 F868 Q873 Q874 L875 | S865-S871 WeakPolarHBondContact O-CA 3.31Å; Q867-S871 PolarHBondContact O-N 3.37Å; F868-S871 PolarHBondContact O-N 2.98Å; F868-S871 PolarHBondContact O-OG 3.26Å; S871-Q873 PolarHBondContact O-N 3.5Å; S871-Q874 WeakPolarHBondContact O-CB 3.48Å; S871-Q874 PolarHBondContact O-N 3.5Å; S871-Q874 PolarHBondContact OG-N 2.76Å; S871-L875 PolarHBondContact O-N 3.02Å | ||
| 872 | K | 90.3 | Very high | 89.6 | Confident | 94 Ų | 94 | 75.2 Ų | 75.2 | 41% | 0.409 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -51.9 | -38.7 | 175.2 | -72.5 | -179.9 | -179.3 | -174.6 | 0 | 112.5 | L875 L876 Y935 I940 | K872-L875 PolarHBondContact O-N 2.84Å; K872-L876 WeakPolarHBondContact O-CG 3.24Å; K872-L876 PolarHBondContact O-N 2.99Å; K872-Y935 HydrophobicContact CG-CD1 3.73Å; K872-Y935 HydrophobicContact CG-CE1 4.26Å; K872-I940 HydrophobicContact CB-CD1 4.35Å; K872-I940 HydrophobicContact CG-CD1 4.44Å |
| 873 | Q | 90.3 | Very high | 89.9 | Confident | 162 Ų | 162 | 72.6 Ų | 72.6 | 76% | 0.757 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.9 | -39.1 | 177.7 | -67.8 | -177.6 | -10.4 | 0 | 0 | 112.1 | S871 K877 | S871-Q873 PolarHBondContact O-N 3.5Å; Q873-K877 WeakPolarHBondContact O-CB 3.44Å; Q873-K877 PolarHBondContact O-N 3.11Å |
| 874 | Q | 91.6 | Very high | 90 | Very high | 72 Ų | 72 | 69.8 Ų | 69.8 | 34% | 0.336 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.6 | -40.7 | 177.3 | -171.5 | 60.4 | 22.4 | 0 | 0 | 111.5 | F847 S871 K877 V878 | F847-Q874 HydrophobicContact CD2-CG 4.41Å; F847-Q874 HydrophobicContact CE2-CB 4.33Å; F847-Q874 HydrophobicContact CE2-CG 3.84Å; S871-Q874 WeakPolarHBondContact O-CB 3.48Å; S871-Q874 PolarHBondContact O-N 3.5Å; S871-Q874 PolarHBondContact OG-N 2.76Å; Q874-K877 WeakPolarHBondContact O-CB 3.45Å; Q874-K877 PolarHBondContact O-N 3.31Å; Q874-V878 WeakPolarHBondContact O-CG2 3.22Å; Q874-V878 PolarHBondContact O-N 2.95Å |
| 875 | L | 92.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.9 | -50.4 | 173.4 | 173.7 | 61.5 | 0 | 0 | 0 | 111.6 | F847 F848 S871 K872 K877 V878 I879 I931 Y935 I940 | F847-L875 HydrophobicContact CD1-CD1 4.1Å; F847-L875 HydrophobicContact CE1-CB 4.11Å; F847-L875 HydrophobicContact CE1-CD1 3.61Å; F847-L875 HydrophobicContact CE1-CG 4.41Å; F847-L875 HydrophobicContact CZ-CB 3.89Å; F847-L875 HydrophobicContact CZ-CD1 4.26Å; F848-L875 HydrophobicContact CE1-CD1 4.29Å; F848-L875 HydrophobicContact CE2-CD1 4.37Å; F848-L875 HydrophobicContact CZ-CD1 3.67Å; S871-L875 PolarHBondContact O-N 3.02Å; K872-L875 PolarHBondContact O-N 2.84Å; L875-K877 VanDerWaalsContact C-N 3.26Å; L875-K877 PolarHBondContact O-N 2.87Å; L875-V878 PolarHBondContact O-N 3.35Å; L875-V878 VanDerWaalsContact O-N 3.15Å; L875-I879 HydrophobicContact CD1-CD1 3.72Å; L875-I879 HydrophobicContact CD1-CG1 4.03Å; L875-I879 HydrophobicContact CG-CD1 3.88Å; L875-I879 HydrophobicContact CG-CG1 4.5Å; L875-I879 WeakPolarHBondContact O-CG1 3.25Å; L875-I879 PolarHBondContact O-N 3.02Å; L875-I931 HydrophobicContact CD2-CG1 4.28Å; L875-Y935 HydrophobicContact CD2-CD1 4.19Å; L875-Y935 HydrophobicContact CD2-CD2 3.72Å; L875-Y935 HydrophobicContact CD2-CE1 4.21Å; L875-Y935 HydrophobicContact CD2-CE2 3.77Å; L875-Y935 HydrophobicContact CD2-CG 3.93Å; L875-I940 HydrophobicContact CD2-CD1 4.05Å; L875-I940 HydrophobicContact CD2-CG2 3.88Å; L875-I940 HydrophobicContact CG-CG2 4.22Å |
| 876 | L | 92.1 | Very high | 90.3 | Very high | 92 Ų | 92 | 82.7 Ų | 82.7 | 48% | 0.482 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.5 | -39 | 177.4 | -77.6 | 170.3 | 0 | 0 | 0 | 112.2 | K872 I879 K880 I940 | K872-L876 WeakPolarHBondContact O-CG 3.24Å; K872-L876 PolarHBondContact O-N 2.99Å; L876-I879 PolarHBondContact O-N 3.14Å; L876-K880 WeakPolarHBondContact O-CB 3.38Å; L876-K880 PolarHBondContact O-N 3.49Å; L876-I940 HydrophobicContact CD1-CD1 4.42Å; L876-I940 HydrophobicContact CD2-CD1 4.23Å; L876-I940 HydrophobicContact CD2-CG1 4.03Å; L876-I940 HydrophobicContact CD2-CG2 4.2Å; L876-I940 HydrophobicContact CG-CD1 4Å; L876-I940 HydrophobicContact CG-CG1 4.35Å |
| 877 | K | 92.3 | Very high | 90.5 | Very high | 127 Ų | 127 | 73.6 Ų | 73.6 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.7 | -44.1 | 176.7 | -174.5 | 179.8 | 177.9 | -178.9 | 0 | 111.5 | Q873 Q874 L875 | Q873-K877 WeakPolarHBondContact O-CB 3.44Å; Q873-K877 PolarHBondContact O-N 3.11Å; Q874-K877 WeakPolarHBondContact O-CB 3.45Å; Q874-K877 PolarHBondContact O-N 3.31Å; L875-K877 VanDerWaalsContact C-N 3.26Å; L875-K877 PolarHBondContact O-N 2.87Å |
| 878 | V | 92.4 | Very high | 90.6 | Very high | 10 Ų | 10 | 72.8 Ų | 72.8 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.4 | -41.5 | 179.4 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | K843 L844 F847 Q874 L875 K880 E881 Y882 | K843-V878 HydrophobicContact CB-CG1 4.43Å; L844-V878 HydrophobicContact CB-CG1 4.25Å; L844-V878 HydrophobicContact CD1-CG1 3.83Å; F847-V878 HydrophobicContact CB-CG1 4.17Å; F847-V878 HydrophobicContact CB-CG2 4.42Å; F847-V878 HydrophobicContact CD2-CG2 4.02Å; F847-V878 HydrophobicContact CG-CG2 4.34Å; Q874-V878 WeakPolarHBondContact O-CG2 3.22Å; Q874-V878 PolarHBondContact O-N 2.95Å; L875-V878 PolarHBondContact O-N 3.35Å; L875-V878 VanDerWaalsContact O-N 3.15Å; V878-K880 VanDerWaalsContact C-N 3.34Å; V878-K880 PolarHBondContact O-N 3.3Å; V878-E881 WeakPolarHBondContact O-CB 3.14Å; V878-E881 PolarHBondContact O-N 3.18Å; V878-Y882 WeakPolarHBondContact O-CD2 3.29Å |
| 879 | I | 92.4 | Very high | 90.7 | Very high | 9 Ų | 9 | 69 Ų | 69 | 5% | 0.046 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 177.8 | -70.2 | 173.9 | 0 | 0 | 0 | 111.4 | L844 L875 L876 E881 Y882 I931 I940 L942 E943 | L844-I879 HydrophobicContact CD1-CG1 4.1Å; L875-I879 HydrophobicContact CD1-CD1 3.72Å; L875-I879 HydrophobicContact CD1-CG1 4.03Å; L875-I879 HydrophobicContact CG-CD1 3.88Å; L875-I879 HydrophobicContact CG-CG1 4.5Å; L875-I879 WeakPolarHBondContact O-CG1 3.25Å; L875-I879 PolarHBondContact O-N 3.02Å; L876-I879 PolarHBondContact O-N 3.14Å; I879-E881 PolarHBondContact O-N 3.03Å; I879-E881 VanDerWaalsContact O-N 3.08Å; I879-Y882 PolarHBondContact O-N 3.38Å; I879-I931 HydrophobicContact CD1-CD1 4.27Å; I879-I940 HydrophobicContact CD1-CG2 3.51Å; I879-L942 HydrophobicContact CD1-CD2 4.49Å; I879-L942 HydrophobicContact CG1-CD2 4.35Å; I879-E943 HydrophobicContact CG2-CG 4.02Å |
| 880 | K | 91.4 | Very high | 90.8 | Very high | 161 Ų | 161 | 67 Ų | 67 | 70% | 0.7 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -18 | -179.3 | -168.8 | 175.9 | -179.1 | 180 | 0 | 113.7 | L876 V878 Y882 | L876-K880 WeakPolarHBondContact O-CB 3.38Å; L876-K880 PolarHBondContact O-N 3.49Å; V878-K880 VanDerWaalsContact C-N 3.34Å; V878-K880 PolarHBondContact O-N 3.3Å; K880-Y882 VanDerWaalsContact C-N 3.29Å |
| 881 | E | 90.5 | Very high | 90.8 | Very high | 77 Ų | 77 | 65.8 Ų | 65.8 | 36% | 0.36 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -14.2 | 174.4 | -61.8 | -168.8 | -162.1 | 0 | 0 | 113.3 | K843 V878 I879 P883 | K843-E881 WeakPolarHBondContact CD-OE2 3.42Å; K843-E881 WeakPolarHBondContact CE-OE2 3.41Å; K843-E881 IonicContact NZ-OE1 3.86Å; K843-E881 IonicContact NZ-OE2 2.99Å; K843-E881 PolarHBondContact NZ-OE2 3.46Å; V878-E881 WeakPolarHBondContact O-CB 3.14Å; V878-E881 PolarHBondContact O-N 3.18Å; I879-E881 PolarHBondContact O-N 3.03Å; I879-E881 VanDerWaalsContact O-N 3.08Å; E881-P883 WeakPolarHBondContact O-CD 3.38Å |
| 882 | Y | 91 | Very high | 90.8 | Very high | 25 Ų | 25 | 67.7 Ų | 67.7 | 10% | 0.098 | 32% | 0.32 | C | S | . | . | trans | -125 | 61.2 | -175.8 | -62 | -81.5 | 0 | 0 | 0 | 112.9 | P840 L841 E842 K843 L844 V878 I879 K880 | P840-Y882 WeakPolarHBondContact O-CE1 3.14Å; L841-Y882 HydrophobicContact CD2-CD1 3.72Å; L841-Y882 HydrophobicContact CD2-CE1 4.34Å; L841-Y882 HydrophobicContact CD2-CG 3.97Å; E842-Y882 PolarHBondContact N-OH 3.18Å; K843-Y882 HydrophobicContact CB-CE2 3.99Å; K843-Y882 WeakPolarHBondContact CB-OH 3.43Å; K843-Y882 PolarHBondContact N-OH 3.38Å; L844-Y882 HydrophobicContact CB-CD2 4Å; L844-Y882 HydrophobicContact CB-CE2 3.92Å; V878-Y882 WeakPolarHBondContact O-CD2 3.29Å; I879-Y882 PolarHBondContact O-N 3.38Å; K880-Y882 VanDerWaalsContact C-N 3.29Å | ||
| 883 | P | 89.7 | Confident | 90.8 | Very high | 49 Ų | 49 | 66.7 Ų | 66.7 | 32% | 0.318 | 33% | 0.325 | S | S | . | . | trans | -63.1 | 156.9 | 170.2 | 29.6 | -35.4 | 0 | 0 | 0 | 110.5 | E881 K885 E886 V887 E943 | E881-P883 WeakPolarHBondContact O-CD 3.38Å; P883-K885 PolarHBondContact O-N 2.84Å; P883-E886 HydrophobicContact CG-CB 3.91Å; P883-E886 WeakPolarHBondContact O-CA 3.4Å; P883-E886 WeakPolarHBondContact O-CB 3.38Å; P883-E886 PolarHBondContact O-N 2.94Å; P883-V887 PolarHBondContact O-N 2.84Å; P883-V887 VanDerWaalsContact O-N 3.11Å; P883-E943 WeakPolarHBondContact CA-OE2 3.42Å; P883-E943 WeakPolarHBondContact CB-OE2 3.47Å | ||
| 884 | G | 88.2 | Confident | 90.9 | Very high | 11 Ų | 11 | 59.3 Ų | 59.3 | 11% | 0.113 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -51.6 | -33.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | V887 K888 Y952 | G884-V887 PolarHBondContact O-N 3.08Å; G884-K888 WeakPolarHBondContact O-CB 3.17Å; G884-K888 PolarHBondContact O-N 3.45Å; G884-Y952 WeakPolarHBondContact O-CE2 3.37Å |
| 885 | K | 88.7 | Confident | 90.8 | Very high | 188 Ų | 188 | 56.1 Ų | 56.1 | 82% | 0.817 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.4 | -42 | 173.7 | -70.1 | -175.9 | -179.5 | 179.2 | 0 | 113.3 | P883 K888 H889 | P883-K885 PolarHBondContact O-N 2.84Å; K885-K888 PolarHBondContact O-N 3.46Å; K885-H889 WeakPolarHBondContact O-CB 3.5Å; K885-H889 PolarHBondContact O-N 3.17Å |
| 886 | E | 89.8 | Confident | 90.7 | Very high | 98 Ų | 98 | 62.2 Ų | 62.2 | 46% | 0.458 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.1 | -39.6 | 179 | -169.6 | 59.9 | -151 | 0 | 0 | 110.4 | P883 H889 G890 | P883-E886 HydrophobicContact CG-CB 3.91Å; P883-E886 WeakPolarHBondContact O-CA 3.4Å; P883-E886 WeakPolarHBondContact O-CB 3.38Å; P883-E886 PolarHBondContact O-N 2.94Å; E886-H889 PolarHBondContact O-N 3.04Å; E886-G890 PolarHBondContact O-N 3.24Å |
| 887 | V | 90.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 174 | -179.9 | 0 | 0 | 0 | 0 | 111 | L841 P883 G884 H889 G890 L891 F920 F944 L949 | L841-V887 HydrophobicContact CD2-CG2 3.93Å; P883-V887 PolarHBondContact O-N 2.84Å; P883-V887 VanDerWaalsContact O-N 3.11Å; G884-V887 PolarHBondContact O-N 3.08Å; V887-H889 VanDerWaalsContact C-N 3.34Å; V887-H889 PolarHBondContact O-N 3.35Å; V887-G890 PolarHBondContact O-N 2.77Å; V887-L891 HydrophobicContact CG1-CD1 4.41Å; V887-L891 WeakPolarHBondContact O-CG 3.48Å; V887-L891 PolarHBondContact O-N 3.11Å; V887-F920 HydrophobicContact CG1-CE1 4.26Å; V887-F920 HydrophobicContact CG1-CZ 3.97Å; V887-F944 HydrophobicContact CG2-CD1 3.89Å; V887-F944 HydrophobicContact CG2-CE1 3.59Å; V887-F944 HydrophobicContact CG2-CZ 4.19Å; V887-L949 HydrophobicContact CG1-CD2 3.88Å |
| 888 | K | 90.4 | Very high | 90.6 | Very high | 57 Ų | 57 | 54.4 Ų | 54.4 | 25% | 0.248 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.2 | -45.2 | 175.2 | -178.1 | 175.4 | 173.5 | 173.5 | 0 | 111.6 | G884 K885 G890 L891 E892 Y952 E955 | G884-K888 WeakPolarHBondContact O-CB 3.17Å; G884-K888 PolarHBondContact O-N 3.45Å; K885-K888 PolarHBondContact O-N 3.46Å; K888-G890 VanDerWaalsContact C-N 3.35Å; K888-G890 PolarHBondContact O-N 3.46Å; K888-L891 PolarHBondContact O-N 3.2Å; K888-E892 WeakPolarHBondContact CE-OE1 3.37Å; K888-E892 WeakPolarHBondContact O-CG 3.37Å; K888-E892 PolarHBondContact O-N 3.47Å; K888-Y952 HydrophobicContact CB-CD1 4.32Å; K888-Y952 HydrophobicContact CB-CD2 4.04Å; K888-Y952 HydrophobicContact CB-CE2 4.26Å; K888-Y952 HydrophobicContact CB-CG 4.08Å; K888-Y952 HydrophobicContact CD-CD1 3.93Å; K888-Y952 HydrophobicContact CD-CE1 4.3Å; K888-Y952 HydrophobicContact CD-CG 4.36Å; K888-Y952 HydrophobicContact CG-CD1 4.28Å; K888-Y952 HydrophobicContact CG-CG 4.2Å; K888-E955 IonicContact NZ-OE2 3.58Å; K888-E955 PolarHBondContact NZ-OE2 3.13Å |
| 889 | H | 89.4 | Confident | 90.4 | Very high | 109 Ų | 109 | 56.9 Ų | 56.9 | 51% | 0.505 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 177.6 | -170.2 | 58.4 | 0 | 0 | 0 | 112.6 | K885 E886 V887 L891 E892 S893 | K885-H889 WeakPolarHBondContact O-CB 3.5Å; K885-H889 PolarHBondContact O-N 3.17Å; E886-H889 PolarHBondContact O-N 3.04Å; V887-H889 VanDerWaalsContact C-N 3.34Å; V887-H889 PolarHBondContact O-N 3.35Å; H889-L891 VanDerWaalsContact C-N 3.34Å; H889-L891 PolarHBondContact O-N 3.26Å; H889-E892 IonicContact ND1-OE2 2.92Å; H889-E892 PolarHBondContact O-N 2.93Å; H889-S893 WeakPolarHBondContact O-CB 3.18Å; H889-S893 PolarHBondContact O-N 2.95Å |
| 890 | G | 90.1 | Very high | 90.2 | Very high | 16 Ų | 16 | 64 Ų | 64 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | E886 V887 K888 S893 L894 | E886-G890 PolarHBondContact O-N 3.24Å; V887-G890 PolarHBondContact O-N 2.77Å; K888-G890 VanDerWaalsContact C-N 3.35Å; K888-G890 PolarHBondContact O-N 3.46Å; G890-S893 PolarHBondContact O-N 3.35Å; G890-L894 WeakPolarHBondContact O-CB 3.48Å; G890-L894 PolarHBondContact O-N 3.05Å |
| 891 | L | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.5 | -40.4 | 175.5 | -68.5 | 176.4 | 0 | 0 | 0 | 112.5 | P840 V887 K888 H889 S893 L894 C895 F920 F953 I956 | P840-L891 HydrophobicContact CG-CD2 4.5Å; V887-L891 HydrophobicContact CG1-CD1 4.41Å; V887-L891 WeakPolarHBondContact O-CG 3.48Å; V887-L891 PolarHBondContact O-N 3.11Å; K888-L891 PolarHBondContact O-N 3.2Å; H889-L891 VanDerWaalsContact C-N 3.34Å; H889-L891 PolarHBondContact O-N 3.26Å; L891-S893 VanDerWaalsContact C-N 3.33Å; L891-S893 PolarHBondContact O-N 3.27Å; L891-L894 PolarHBondContact O-N 2.97Å; L891-C895 WeakPolarHBondContact O-CB 3.46Å; L891-C895 PolarHBondContact O-N 3.38Å; L891-F920 HydrophobicContact CD2-CD2 3.89Å; L891-F920 HydrophobicContact CD2-CE1 4.45Å; L891-F920 HydrophobicContact CD2-CE2 3.8Å; L891-F920 HydrophobicContact CD2-CG 4.34Å; L891-F920 HydrophobicContact CD2-CZ 4.07Å; L891-F953 HydrophobicContact CD1-CD2 4.17Å; L891-F953 HydrophobicContact CD1-CE2 3.78Å; L891-F953 HydrophobicContact CD1-CZ 4.09Å; L891-F953 HydrophobicContact CD2-CE1 4.18Å; L891-F953 HydrophobicContact CD2-CE2 4.06Å; L891-F953 HydrophobicContact CD2-CZ 3.56Å; L891-F953 HydrophobicContact CG-CZ 4.46Å; L891-I956 HydrophobicContact CB-CD1 3.49Å; L891-I956 VanDerWaalsContact CB-CD1 3.49Å |
| 892 | E | 91.6 | Very high | 90.2 | Very high | 64 Ų | 64 | 54.5 Ų | 54.5 | 30% | 0.299 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 174 | -73.9 | 171.5 | -178.3 | 0 | 0 | 111.7 | K888 H889 C895 K896 I956 | K888-E892 WeakPolarHBondContact CE-OE1 3.37Å; K888-E892 WeakPolarHBondContact O-CG 3.37Å; K888-E892 PolarHBondContact O-N 3.47Å; H889-E892 IonicContact ND1-OE2 2.92Å; H889-E892 PolarHBondContact O-N 2.93Å; E892-C895 WeakPolarHBondContact O-CB 3.33Å; E892-C895 PolarHBondContact O-N 3.07Å; E892-K896 WeakPolarHBondContact O-CG 3.16Å; E892-K896 PolarHBondContact O-N 3.46Å; E892-K896 VanDerWaalsContact O-N 3.1Å; E892-I956 HydrophobicContact CG-CD1 3.95Å; E892-I956 HydrophobicContact CG-CG1 3.84Å |
| 893 | S | 90.4 | Very high | 89.9 | Confident | 74 Ų | 74 | 54.1 Ų | 54.1 | 52% | 0.517 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 175.3 | -173.1 | 0 | 0 | 0 | 0 | 111.7 | H889 G890 L891 K897 | H889-S893 WeakPolarHBondContact O-CB 3.18Å; H889-S893 PolarHBondContact O-N 2.95Å; G890-S893 PolarHBondContact O-N 3.35Å; L891-S893 VanDerWaalsContact C-N 3.33Å; L891-S893 PolarHBondContact O-N 3.27Å; S893-K897 WeakPolarHBondContact O-CB 3.48Å; S893-K897 PolarHBondContact O-N 3.38Å |
| 894 | L | 91.6 | Very high | 89.5 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 175 | -178.1 | 60.2 | 0 | 0 | 0 | 111.7 | C836 P840 G890 L891 K897 V898 W913 I916 | C836-L894 HydrophobicContact CB-CD1 3.88Å; C836-L894 HydrophobicContact CB-CD2 4.35Å; P840-L894 HydrophobicContact CG-CD2 3.87Å; G890-L894 WeakPolarHBondContact O-CB 3.48Å; G890-L894 PolarHBondContact O-N 3.05Å; L891-L894 PolarHBondContact O-N 2.97Å; L894-K897 WeakPolarHBondContact O-CB 3.23Å; L894-K897 PolarHBondContact O-N 3.03Å; L894-K897 VanDerWaalsContact O-N 3.1Å; L894-V898 HydrophobicContact CD1-CG2 4.32Å; L894-V898 HydrophobicContact CG-CG2 4.47Å; L894-V898 WeakPolarHBondContact O-CG2 3.46Å; L894-V898 PolarHBondContact O-N 3Å; L894-W913 HydrophobicContact CG-CZ3 4.32Å; L894-I916 HydrophobicContact CD2-CG2 3.81Å |
| 895 | C | 91.2 | Very high | 88.7 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -54.4 | -54.9 | 175.4 | -174.6 | 0 | 0 | 0 | 0 | 111 | L891 E892 K897 V898 E899 F909 W913 I956 | L891-C895 WeakPolarHBondContact O-CB 3.46Å; L891-C895 PolarHBondContact O-N 3.38Å; E892-C895 WeakPolarHBondContact O-CB 3.33Å; E892-C895 PolarHBondContact O-N 3.07Å; C895-K897 PolarHBondContact O-N 2.9Å; C895-V898 PolarHBondContact O-N 3.4Å; C895-E899 WeakPolarHBondContact O-CG 3.49Å; C895-E899 PolarHBondContact O-N 2.87Å; C895-F909 VanDerWaalsContact SG-CZ 3.58Å; C895-W913 HydrophobicContact CB-CH2 3.55Å; C895-W913 HydrophobicContact CB-CZ2 4.01Å; C895-W913 HydrophobicContact CB-CZ3 3.93Å; C895-I956 HydrophobicContact CB-CG2 3.65Å; C895-I956 VanDerWaalsContact SG-CG2 3.56Å |
| 896 | K | 90.3 | Very high | 87.9 | Confident | 127 Ų | 127 | 55.4 Ų | 55.4 | 55% | 0.552 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -57.9 | -32.7 | 176.8 | -71 | 173.2 | -177.3 | 170.3 | 0 | 112.8 | E892 K900 | E892-K896 WeakPolarHBondContact O-CG 3.16Å; E892-K896 PolarHBondContact O-N 3.46Å; E892-K896 VanDerWaalsContact O-N 3.1Å; K896-K900 VanDerWaalsContact O-CG 3.27Å; K896-K900 WeakPolarHBondContact O-CG 3.34Å; K896-K900 PolarHBondContact O-N 3.39Å |
| 897 | K | 89.9 | Confident | 87.6 | Confident | 55 Ų | 55 | 55.5 Ų | 55.5 | 24% | 0.239 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.6 | -44.7 | 176.4 | -170.1 | -174.4 | -177.6 | -161.2 | 0 | 111.4 | S893 L894 C895 K900 H901 | S893-K897 WeakPolarHBondContact O-CB 3.48Å; S893-K897 PolarHBondContact O-N 3.38Å; L894-K897 WeakPolarHBondContact O-CB 3.23Å; L894-K897 PolarHBondContact O-N 3.03Å; L894-K897 VanDerWaalsContact O-N 3.1Å; C895-K897 PolarHBondContact O-N 2.9Å; K897-K900 PolarHBondContact O-N 3.31Å; K897-H901 PolarHBondContact O-CD2 3.07Å; K897-H901 VanDerWaalsContact O-CG 3.31Å; K897-H901 PolarHBondContact O-N 3.29Å; K897-H901 VanDerWaalsContact O-N 3.16Å |
| 898 | V | 91.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 178 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | Y832 L894 C895 K900 H901 L902 F909 V912 I916 | Y832-V898 HydrophobicContact CE1-CG2 4.41Å; L894-V898 HydrophobicContact CD1-CG2 4.32Å; L894-V898 HydrophobicContact CG-CG2 4.47Å; L894-V898 WeakPolarHBondContact O-CG2 3.46Å; L894-V898 PolarHBondContact O-N 3Å; C895-V898 PolarHBondContact O-N 3.4Å; V898-K900 VanDerWaalsContact C-N 3.32Å; V898-K900 PolarHBondContact O-N 3.08Å; V898-H901 PolarHBondContact O-N 3.38Å; V898-H901 VanDerWaalsContact O-N 3.09Å; V898-L902 HydrophobicContact CG1-CD1 3.65Å; V898-L902 HydrophobicContact CG1-CG 4.34Å; V898-L902 PolarHBondContact O-N 3.44Å; V898-F909 HydrophobicContact CB-CE2 4.26Å; V898-F909 HydrophobicContact CG1-CD2 3.94Å; V898-F909 HydrophobicContact CG1-CE2 3.92Å; V898-V912 HydrophobicContact CG1-CG1 3.9Å; V898-I916 HydrophobicContact CG2-CD1 3.63Å |
| 899 | E | 88.8 | Confident | 87.6 | Confident | 63 Ų | 63 | 53.6 Ų | 53.6 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.8 | -39.4 | 174.3 | -69.9 | 175.9 | 157.4 | 0 | 0 | 112.8 | R734 C895 H901 F909 R960 | R734-E899 PolarHBondContact NH1-O 2.94Å; C895-E899 WeakPolarHBondContact O-CG 3.49Å; C895-E899 PolarHBondContact O-N 2.87Å; E899-H901 VanDerWaalsContact C-N 3.26Å; E899-H901 PolarHBondContact O-N 3.27Å; E899-F909 HydrophobicContact CG-CD2 3.89Å; E899-F909 HydrophobicContact CG-CE2 3.52Å; E899-F909 HydrophobicContact CG-CZ 4.28Å; E899-R960 WeakPolarHBondContact OE1-CD 3.41Å; E899-R960 IonicContact OE1-NE 3.5Å |
| 900 | K | 88.6 | Confident | 87.7 | Confident | 158 Ų | 158 | 50.9 Ų | 50.9 | 69% | 0.687 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -68.1 | -26.8 | 176.1 | -76.8 | 175.7 | -177.9 | -178.9 | 0 | 113.1 | R734 K896 K897 V898 | R734-K900 WeakPolarHBondContact CD-O 3.4Å; K896-K900 VanDerWaalsContact O-CG 3.27Å; K896-K900 WeakPolarHBondContact O-CG 3.34Å; K896-K900 PolarHBondContact O-N 3.39Å; K897-K900 PolarHBondContact O-N 3.31Å; V898-K900 VanDerWaalsContact C-N 3.32Å; V898-K900 PolarHBondContact O-N 3.08Å |
| 901 | H | 90.4 | Very high | 87.9 | Confident | 31 Ų | 31 | 53.2 Ų | 53.2 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -84.1 | -44 | -179.2 | -66.8 | 173.6 | 0 | 0 | 0 | 112.5 | V793 Y832 K897 V898 E899 | V793-H901 HydrophobicContact CG1-CB 4.48Å; V793-H901 HydrophobicContact CG2-CB 4.27Å; Y832-H901 AromaticContact CE2-ND1 3.77Å; Y832-H901 AromaticContact CZ-ND1 3.72Å; Y832-H901 PolarHBondContact OH-ND1 2.9Å; K897-H901 PolarHBondContact O-CD2 3.07Å; K897-H901 VanDerWaalsContact O-CG 3.31Å; K897-H901 PolarHBondContact O-N 3.29Å; K897-H901 VanDerWaalsContact O-N 3.16Å; V898-H901 PolarHBondContact O-N 3.38Å; V898-H901 VanDerWaalsContact O-N 3.09Å; E899-H901 VanDerWaalsContact C-N 3.26Å; E899-H901 PolarHBondContact O-N 3.27Å |
| 902 | L | 89.8 | Confident | 87.9 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -78 | 148.7 | -177.2 | -66.3 | 169.9 | 0 | 0 | 0 | 111.8 | R734 V793 L796 E797 V898 F909 V912 | R734-L902 PolarHBondContact NH1-O 2.97Å; V793-L902 HydrophobicContact CG1-CD2 3.85Å; L796-L902 HydrophobicContact CD2-CD2 4.19Å; E797-L902 HydrophobicContact CG-CD2 4.38Å; E797-L902 VanDerWaalsContact OE1-CA 3.27Å; E797-L902 WeakPolarHBondContact OE1-CA 3.41Å; V898-L902 HydrophobicContact CG1-CD1 3.65Å; V898-L902 HydrophobicContact CG1-CG 4.34Å; V898-L902 PolarHBondContact O-N 3.44Å; L902-F909 HydrophobicContact CD1-CB 4.17Å; L902-F909 HydrophobicContact CD1-CD2 4.27Å; L902-V912 HydrophobicContact CD1-CB 4.1Å; L902-V912 HydrophobicContact CD1-CG1 4.35Å; L902-V912 HydrophobicContact CD1-CG2 4Å; L902-V912 HydrophobicContact CD2-CG2 4.33Å |
| 903 | S | 86.6 | Confident | 88 | Confident | 18 Ų | 18 | 50.6 Ų | 50.6 | 13% | 0.126 | 26% | 0.258 | C | S | . | . | trans | -88.2 | 159.1 | 170 | 72.6 | 0 | 0 | 0 | 0 | 111.7 | E797 | E797-S903 VanDerWaalsContact CD-OG 3.25Å; E797-S903 PolarHBondContact OE1-N 2.8Å; E797-S903 PolarHBondContact OE1-OG 2.65Å; E797-S903 WeakPolarHBondContact OE2-CB 3.27Å; E797-S903 PolarHBondContact OE2-OG 3.37Å | ||
| 904 | D | 79.6 | Confident | 88.1 | Confident | 117 Ų | 117 | 55 Ų | 55 | 63% | 0.626 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -83.3 | -10.9 | -171.7 | -56.7 | -66.9 | 0 | 0 | 0 | 113.7 | R734 E906 | R734-D904 IonicContact NH2-OD2 3.71Å; R734-D904 PolarHBondContact NH2-OD2 2.71Å; D904-E906 PolarHBondContact O-N 3.39Å |
| 905 | E | 72.5 | Confident | 88.3 | Confident | 99 Ų | 99 | 56.2 Ų | 56.2 | 46% | 0.463 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -31.9 | -166 | -78.9 | -172.6 | 152.9 | 0 | 0 | 115.5 | V737 R742 | V737-E905 WeakPolarHBondContact CG2-OE2 3.27Å; R742-E905 IonicContact CZ-OE1 3.83Å; R742-E905 IonicContact CZ-OE2 3.07Å; R742-E905 VanDerWaalsContact CZ-OE2 3.3Å; R742-E905 IonicContact NH1-OE1 3.72Å; R742-E905 PolarHBondContact NH1-OE1 2.97Å; R742-E905 IonicContact NH1-OE2 2.84Å; R742-E905 PolarHBondContact NH1-OE2 2.83Å; R742-E905 IonicContact NH2-OE1 3.89Å; R742-E905 PolarHBondContact NH2-OE1 2.96Å; R742-E905 IonicContact NH2-OE2 3.32Å; R742-E905 PolarHBondContact NH2-OE2 3.42Å |
| 906 | E | 71.3 | Confident | 88.4 | Confident | 59 Ų | 59 | 56 Ų | 56 | 28% | 0.276 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 5.5 | -172 | -68.6 | -65.9 | 120.5 | 0 | 0 | 114.1 | H800 R801 D904 L908 | H800-E906 IonicContact CD2-OE2 2.6Å; H800-E906 IonicContact NE2-OE2 2.62Å; R801-E906 WeakPolarHBondContact CD-OE2 3.45Å; R801-E906 HydrophobicContact CG-CG 4.36Å; R801-E906 IonicContact CZ-OE1 3.57Å; R801-E906 VanDerWaalsContact CZ-OE1 3.26Å; R801-E906 IonicContact CZ-OE2 3.78Å; R801-E906 IonicContact NE-OE1 3.99Å; R801-E906 IonicContact NH1-OE1 2.58Å; R801-E906 PolarHBondContact NH1-OE1 3.04Å; R801-E906 IonicContact NH1-OE2 2.93Å; R801-E906 PolarHBondContact NH1-OE2 2.85Å; D904-E906 PolarHBondContact O-N 3.39Å; E906-L908 HydrophobicContact CB-CD1 4.2Å; E906-L908 HydrophobicContact CB-CG 3.92Å; E906-L908 PolarHBondContact O-N 3.4Å; E906-L908 VanDerWaalsContact O-N 3.12Å |
| 907 | N | 83.7 | Confident | 88.5 | Confident | 99 Ų | 99 | 52 Ų | 52 | 53% | 0.529 | 25% | 0.253 | S | S | . | . | trans | 46.2 | 45.4 | -174.7 | -167.2 | 25.4 | 0 | 0 | 0 | 111.9 | F909 P910 | N907-F909 PolarHBondContact O-N 3.38Å; N907-P910 WeakPolarHBondContact O-CD 3.47Å; N907-P910 WeakPolarHBondContact OD1-CD 3.5Å | ||
| 908 | L | 91 | Very high | 88.7 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | trans | -72.8 | -14.1 | 179.1 | -79.5 | 171 | 0 | 0 | 0 | 112.8 | E797 H800 E906 V911 V912 | E797-L908 HydrophobicContact CB-CD1 4.29Å; E797-L908 HydrophobicContact CG-CD1 3.91Å; H800-L908 HydrophobicContact CB-CD1 4.13Å; H800-L908 HydrophobicContact CB-CD2 4.35Å; E906-L908 HydrophobicContact CB-CD1 4.2Å; E906-L908 HydrophobicContact CB-CG 3.92Å; E906-L908 PolarHBondContact O-N 3.4Å; E906-L908 VanDerWaalsContact O-N 3.12Å; L908-V911 WeakPolarHBondContact O-CB 3.42Å; L908-V911 PolarHBondContact O-N 3.19Å; L908-V911 VanDerWaalsContact O-N 3.11Å; L908-V912 WeakPolarHBondContact O-CG2 3.5Å; L908-V912 PolarHBondContact O-N 3.14Å | ||
| 909 | F | 90.8 | Very high | 88.7 | Confident | 13 Ų | 13 | 57 Ų | 57 | 6% | 0.057 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -51.9 | -50.2 | -179.1 | 179 | -85.6 | 0 | 0 | 0 | 113.5 | C895 V898 E899 L902 N907 V911 V912 W913 R960 | C895-F909 VanDerWaalsContact SG-CZ 3.58Å; V898-F909 HydrophobicContact CB-CE2 4.26Å; V898-F909 HydrophobicContact CG1-CD2 3.94Å; V898-F909 HydrophobicContact CG1-CE2 3.92Å; E899-F909 HydrophobicContact CG-CD2 3.89Å; E899-F909 HydrophobicContact CG-CE2 3.52Å; E899-F909 HydrophobicContact CG-CZ 4.28Å; L902-F909 HydrophobicContact CD1-CB 4.17Å; L902-F909 HydrophobicContact CD1-CD2 4.27Å; N907-F909 PolarHBondContact O-N 3.38Å; F909-V911 VanDerWaalsContact C-N 3.25Å; F909-V911 PolarHBondContact O-N 2.95Å; F909-V912 PolarHBondContact O-N 3.35Å; F909-W913 HydrophobicContact CD1-CB 4.27Å; F909-W913 HydrophobicContact CE1-CB 3.9Å; F909-W913 HydrophobicContact CE1-CD2 4.4Å; F909-W913 AromaticContact CE1-CG 3.93Å; F909-W913 HydrophobicContact CE1-CG 3.93Å; F909-W913 HydrophobicContact CZ-CB 4.14Å; F909-W913 AromaticContact CZ-CD2 3.98Å; F909-W913 HydrophobicContact CZ-CD2 3.98Å; F909-W913 HydrophobicContact CZ-CE3 4.15Å; F909-W913 AromaticContact CZ-CG 3.98Å; F909-W913 HydrophobicContact CZ-CG 3.98Å; F909-W913 WeakPolarHBondContact O-CB 3.24Å; F909-W913 PolarHBondContact O-N 2.86Å; F909-R960 VanDerWaalsContact CG-NH1 3.3Å |
| 910 | P | 91.3 | Very high | 88.8 | Confident | 51 Ų | 51 | 54 Ų | 54 | 33% | 0.331 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.2 | -30.8 | -179.5 | -20.9 | 35.6 | 0 | 0 | 0 | 113.2 | N907 R914 | N907-P910 WeakPolarHBondContact O-CD 3.47Å; N907-P910 WeakPolarHBondContact OD1-CD 3.5Å; P910-R914 VanDerWaalsContact O-CB 3.23Å; P910-R914 WeakPolarHBondContact O-CB 3.5Å; P910-R914 PolarHBondContact O-N 3.1Å |
| 911 | V | 92.6 | Very high | 89 | Confident | 65 Ų | 65 | 47.8 Ų | 47.8 | 39% | 0.394 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.5 | -49.6 | 176.7 | -178.9 | 0 | 0 | 0 | 0 | 110 | L829 L908 F909 R914 S915 | L829-V911 HydrophobicContact CD2-CG1 4.44Å; L908-V911 WeakPolarHBondContact O-CB 3.42Å; L908-V911 PolarHBondContact O-N 3.19Å; L908-V911 VanDerWaalsContact O-N 3.11Å; F909-V911 VanDerWaalsContact C-N 3.25Å; F909-V911 PolarHBondContact O-N 2.95Å; V911-R914 PolarHBondContact O-N 3.47Å; V911-S915 PolarHBondContact O-N 3.04Å |
| 912 | V | 93.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 177.5 | 176 | 0 | 0 | 0 | 0 | 111 | L796 L829 Y832 V898 L902 L908 F909 R914 S915 I916 | L796-V912 HydrophobicContact CD2-CG2 3.43Å; L796-V912 VanDerWaalsContact CD2-CG2 3.43Å; L829-V912 HydrophobicContact CD1-CB 4.48Å; L829-V912 HydrophobicContact CD1-CG2 3.97Å; Y832-V912 HydrophobicContact CD1-CG1 3.9Å; Y832-V912 HydrophobicContact CE1-CG1 3.72Å; V898-V912 HydrophobicContact CG1-CG1 3.9Å; L902-V912 HydrophobicContact CD1-CB 4.1Å; L902-V912 HydrophobicContact CD1-CG1 4.35Å; L902-V912 HydrophobicContact CD1-CG2 4Å; L902-V912 HydrophobicContact CD2-CG2 4.33Å; L908-V912 WeakPolarHBondContact O-CG2 3.5Å; L908-V912 PolarHBondContact O-N 3.14Å; F909-V912 PolarHBondContact O-N 3.35Å; V912-R914 PolarHBondContact O-N 3.27Å; V912-S915 WeakPolarHBondContact O-CB 3.39Å; V912-S915 PolarHBondContact O-N 3.09Å; V912-S915 VanDerWaalsContact O-N 3.17Å; V912-I916 HydrophobicContact CG1-CD1 3.89Å; V912-I916 HydrophobicContact CG1-CG1 4.48Å; V912-I916 WeakPolarHBondContact O-CG1 3.47Å; V912-I916 PolarHBondContact O-N 3.11Å |
| 913 | W | 93.3 | Very high | 89 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 4% | 0.038 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65 | -40.2 | -179.4 | -165.3 | -118.8 | 0 | 0 | 0 | 112 | L894 C895 F909 S915 I916 Q917 F953 I956 | L894-W913 HydrophobicContact CG-CZ3 4.32Å; C895-W913 HydrophobicContact CB-CH2 3.55Å; C895-W913 HydrophobicContact CB-CZ2 4.01Å; C895-W913 HydrophobicContact CB-CZ3 3.93Å; F909-W913 HydrophobicContact CD1-CB 4.27Å; F909-W913 HydrophobicContact CE1-CB 3.9Å; F909-W913 HydrophobicContact CE1-CD2 4.4Å; F909-W913 AromaticContact CE1-CG 3.93Å; F909-W913 HydrophobicContact CE1-CG 3.93Å; F909-W913 HydrophobicContact CZ-CB 4.14Å; F909-W913 AromaticContact CZ-CD2 3.98Å; F909-W913 HydrophobicContact CZ-CD2 3.98Å; F909-W913 HydrophobicContact CZ-CE3 4.15Å; F909-W913 AromaticContact CZ-CG 3.98Å; F909-W913 HydrophobicContact CZ-CG 3.98Å; F909-W913 WeakPolarHBondContact O-CB 3.24Å; F909-W913 PolarHBondContact O-N 2.86Å; W913-S915 VanDerWaalsContact C-N 3.35Å; W913-I916 HydrophobicContact CE3-CD1 4.21Å; W913-I916 HydrophobicContact CZ3-CD1 4.45Å; W913-I916 HydrophobicContact CZ3-CG2 4.36Å; W913-I916 PolarHBondContact O-N 3.44Å; W913-Q917 WeakPolarHBondContact O-CB 3.36Å; W913-Q917 PolarHBondContact O-N 3.47Å; W913-F953 AromaticContact CE2-CD1 3.63Å; W913-F953 AromaticContact CE2-CE1 3.93Å; W913-F953 HydrophobicContact CH2-CD1 4.46Å; W913-F953 HydrophobicContact CH2-CE1 4.09Å; W913-F953 AromaticContact CZ2-CD1 3.61Å; W913-F953 HydrophobicContact CZ2-CD1 3.61Å; W913-F953 AromaticContact CZ2-CE1 3.69Å; W913-F953 HydrophobicContact CZ2-CE1 3.69Å; W913-F953 AromaticContact NE1-CD1 3.64Å; W913-I956 HydrophobicContact CZ2-CB 4.47Å; W913-I956 HydrophobicContact CZ2-CG2 3.84Å |
| 914 | R | 93.1 | Very high | 89.2 | Confident | 167 Ų | 167 | 49.5 Ų | 49.5 | 63% | 0.63 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -64.8 | -37.7 | 172.4 | -179.5 | 176.5 | -97.7 | 107.2 | -5.5 | 112.1 | P910 V911 V912 Q917 T918 | P910-R914 VanDerWaalsContact O-CB 3.23Å; P910-R914 WeakPolarHBondContact O-CB 3.5Å; P910-R914 PolarHBondContact O-N 3.1Å; V911-R914 PolarHBondContact O-N 3.47Å; V912-R914 PolarHBondContact O-N 3.27Å; R914-Q917 PolarHBondContact O-N 3.45Å; R914-T918 WeakPolarHBondContact O-CB 3.19Å; R914-T918 PolarHBondContact O-N 2.95Å; R914-T918 PolarHBondContact O-OG1 3.3Å |
| 915 | S | 94.4 | Very high | 89.8 | Confident | 31 Ų | 31 | 47.9 Ų | 47.9 | 22% | 0.217 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -48.6 | 173.7 | -172.3 | 0 | 0 | 0 | 0 | 111 | T833 V911 V912 W913 Q917 T918 E919 | T833-S915 PolarHBondContact OG1-OG 2.99Å; V911-S915 PolarHBondContact O-N 3.04Å; V912-S915 WeakPolarHBondContact O-CB 3.39Å; V912-S915 PolarHBondContact O-N 3.09Å; V912-S915 VanDerWaalsContact O-N 3.17Å; W913-S915 VanDerWaalsContact C-N 3.35Å; S915-Q917 PolarHBondContact O-N 3.05Å; S915-T918 PolarHBondContact O-N 3.3Å; S915-E919 PolarHBondContact O-N 2.92Å |
| 916 | I | 93.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.4 | -46.1 | 175.2 | -67.7 | 169 | 0 | 0 | 0 | 111.5 | T833 C836 L894 V898 V912 W913 T918 E919 F920 F953 | T833-I916 HydrophobicContact CG2-CG1 4.08Å; C836-I916 HydrophobicContact CB-CD1 4.19Å; C836-I916 HydrophobicContact CB-CG1 4.34Å; L894-I916 HydrophobicContact CD2-CG2 3.81Å; V898-I916 HydrophobicContact CG2-CD1 3.63Å; V912-I916 HydrophobicContact CG1-CD1 3.89Å; V912-I916 HydrophobicContact CG1-CG1 4.48Å; V912-I916 WeakPolarHBondContact O-CG1 3.47Å; V912-I916 PolarHBondContact O-N 3.11Å; W913-I916 HydrophobicContact CE3-CD1 4.21Å; W913-I916 HydrophobicContact CZ3-CD1 4.45Å; W913-I916 HydrophobicContact CZ3-CG2 4.36Å; W913-I916 PolarHBondContact O-N 3.44Å; I916-T918 VanDerWaalsContact C-N 3.32Å; I916-T918 PolarHBondContact O-N 3.27Å; I916-E919 PolarHBondContact O-N 3.09Å; I916-F920 WeakPolarHBondContact O-CB 3.46Å; I916-F920 PolarHBondContact O-N 2.68Å; I916-F953 HydrophobicContact CG2-CE1 4.38Å |
| 917 | Q | 93.4 | Very high | 91.7 | Very high | 43 Ų | 43 | 44.3 Ų | 44.3 | 20% | 0.201 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57.8 | -46.1 | 176.5 | 179.7 | 179 | 16.8 | 0 | 0 | 111.8 | W913 R914 S915 F920 I921 F953 | W913-Q917 WeakPolarHBondContact O-CB 3.36Å; W913-Q917 PolarHBondContact O-N 3.47Å; R914-Q917 PolarHBondContact O-N 3.45Å; S915-Q917 PolarHBondContact O-N 3.05Å; Q917-F920 PolarHBondContact O-N 3.39Å; Q917-I921 HydrophobicContact CG-CD1 3.82Å; Q917-I921 WeakPolarHBondContact O-CB 3.46Å; Q917-I921 VanDerWaalsContact O-CG1 3.27Å; Q917-I921 WeakPolarHBondContact O-CG1 3.49Å; Q917-I921 PolarHBondContact O-N 3.5Å; Q917-F953 HydrophobicContact CB-CD1 3.68Å; Q917-F953 HydrophobicContact CB-CD2 4.34Å; Q917-F953 HydrophobicContact CB-CE1 3.72Å; Q917-F953 HydrophobicContact CB-CE2 4.37Å; Q917-F953 HydrophobicContact CB-CG 4.03Å; Q917-F953 HydrophobicContact CB-CZ 4.08Å; Q917-F953 HydrophobicContact CG-CB 4.15Å; Q917-F953 HydrophobicContact CG-CD1 3.88Å; Q917-F953 HydrophobicContact CG-CD2 3.78Å; Q917-F953 HydrophobicContact CG-CE1 4.22Å; Q917-F953 HydrophobicContact CG-CE2 4.13Å; Q917-F953 HydrophobicContact CG-CG 3.67Å; Q917-F953 HydrophobicContact CG-CZ 4.35Å |
| 918 | T | 93.6 | Very high | 92 | Very high | 81 Ų | 81 | 42.1 Ų | 42.1 | 50% | 0.497 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.8 | -46.3 | -179 | -55.7 | 0 | 0 | 0 | 0 | 111 | R914 S915 I916 T922 | R914-T918 WeakPolarHBondContact O-CB 3.19Å; R914-T918 PolarHBondContact O-N 2.95Å; R914-T918 PolarHBondContact O-OG1 3.3Å; S915-T918 PolarHBondContact O-N 3.3Å; I916-T918 VanDerWaalsContact C-N 3.32Å; I916-T918 PolarHBondContact O-N 3.27Å; T918-T922 WeakPolarHBondContact O-CB 3.29Å; T918-T922 PolarHBondContact O-N 3Å; T918-T922 PolarHBondContact O-OG1 3.43Å |
| 919 | E | 91.8 | Very high | 92 | Very high | 81 Ų | 81 | 45.6 Ų | 45.6 | 38% | 0.379 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.4 | -40.3 | 177.6 | -172.4 | 60.3 | -153 | 0 | 0 | 111.5 | T833 M837 S915 I916 T922 Q923 | T833-E919 HydrophobicContact CG2-CB 3.51Å; T833-E919 HydrophobicContact CG2-CG 3.96Å; M837-E919 HydrophobicContact CG-CB 4.46Å; M837-E919 HydrophobicContact CG-CG 3.62Å; M837-E919 HydrophobicContact SD-CB 4.08Å; M837-E919 HydrophobicContact SD-CG 3.84Å; S915-E919 PolarHBondContact O-N 2.92Å; I916-E919 PolarHBondContact O-N 3.09Å; E919-T922 WeakPolarHBondContact O-CB 3.45Å; E919-T922 PolarHBondContact O-N 3.14Å; E919-Q923 WeakPolarHBondContact O-CB 3.47Å; E919-Q923 PolarHBondContact O-N 3.31Å |
| 920 | F | 91.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.7 | -45.3 | 178.9 | -165.8 | -80.7 | 0 | 0 | 0 | 112.7 | M837 P840 L841 V887 L891 I916 Q917 T922 Q923 C924 L949 F953 | M837-F920 HydrophobicContact CE-CB 3.87Å; M837-F920 HydrophobicContact CE-CD2 3.42Å; M837-F920 VanDerWaalsContact CE-CD2 3.42Å; M837-F920 HydrophobicContact CE-CE2 4.19Å; M837-F920 HydrophobicContact CE-CG 3.98Å; M837-F920 HydrophobicContact SD-CB 4.2Å; M837-F920 HydrophobicContact SD-CD2 4.25Å; P840-F920 HydrophobicContact CB-CE2 3.78Å; P840-F920 HydrophobicContact CB-CZ 4.39Å; P840-F920 HydrophobicContact CG-CD2 4.49Å; P840-F920 HydrophobicContact CG-CE2 3.92Å; L841-F920 HydrophobicContact CD1-CE1 4.07Å; L841-F920 HydrophobicContact CD1-CE2 3.86Å; L841-F920 HydrophobicContact CD1-CZ 3.39Å; L841-F920 HydrophobicContact CG-CE2 4.06Å; L841-F920 HydrophobicContact CG-CZ 3.77Å; V887-F920 HydrophobicContact CG1-CE1 4.26Å; V887-F920 HydrophobicContact CG1-CZ 3.97Å; L891-F920 HydrophobicContact CD2-CD2 3.89Å; L891-F920 HydrophobicContact CD2-CE1 4.45Å; L891-F920 HydrophobicContact CD2-CE2 3.8Å; L891-F920 HydrophobicContact CD2-CG 4.34Å; L891-F920 HydrophobicContact CD2-CZ 4.07Å; I916-F920 WeakPolarHBondContact O-CB 3.46Å; I916-F920 PolarHBondContact O-N 2.68Å; Q917-F920 PolarHBondContact O-N 3.39Å; F920-T922 VanDerWaalsContact C-N 3.33Å; F920-Q923 PolarHBondContact O-N 2.82Å; F920-C924 VanDerWaalsContact CE1-SG 3.59Å; F920-C924 PolarHBondContact O-N 3.04Å; F920-C924 PolarHBondContact O-SG 2.9Å; F920-L949 HydrophobicContact CD1-CD1 4.11Å; F920-L949 HydrophobicContact CD1-CD2 4.37Å; F920-L949 HydrophobicContact CE1-CD1 4Å; F920-L949 HydrophobicContact CE1-CD2 3.71Å; F920-L949 HydrophobicContact CE1-CG 4.47Å; F920-F953 HydrophobicContact CB-CE2 4.14Å; F920-F953 HydrophobicContact CB-CZ 3.87Å; F920-F953 AromaticContact CD1-CE2 3.91Å; F920-F953 HydrophobicContact CD1-CE2 3.91Å; F920-F953 HydrophobicContact CD1-CZ 4.27Å; F920-F953 HydrophobicContact CG-CE2 4.08Å; F920-F953 AromaticContact CG-CZ 3.97Å; F920-F953 HydrophobicContact CG-CZ 3.97Å |
| 921 | I | 91.9 | Very high | 92.1 | Very high | 26 Ų | 26 | 43 Ų | 43 | 13% | 0.133 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 174.8 | -69.1 | 169.9 | 0 | 0 | 0 | 110.1 | Q917 Q923 C924 L925 I946 Q950 | Q917-I921 HydrophobicContact CG-CD1 3.82Å; Q917-I921 WeakPolarHBondContact O-CB 3.46Å; Q917-I921 VanDerWaalsContact O-CG1 3.27Å; Q917-I921 WeakPolarHBondContact O-CG1 3.49Å; Q917-I921 PolarHBondContact O-N 3.5Å; I921-Q923 VanDerWaalsContact C-N 3.33Å; I921-Q923 PolarHBondContact O-N 3.41Å; I921-C924 PolarHBondContact O-N 3.11Å; I921-L925 HydrophobicContact CG2-CD1 4.01Å; I921-L925 HydrophobicContact CG2-CG 4.49Å; I921-L925 WeakPolarHBondContact O-CB 3.12Å; I921-L925 WeakPolarHBondContact O-CG 3.3Å; I921-L925 PolarHBondContact O-N 2.84Å; I921-I946 HydrophobicContact CG2-CG2 4.09Å; I921-Q950 HydrophobicContact CD1-CG 4.14Å |
| 922 | T | 91.9 | Very high | 92 | Very high | 72 Ų | 72 | 47 Ų | 47 | 44% | 0.442 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.9 | -42.3 | 177.7 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | T918 E919 F920 L925 R926 | T918-T922 WeakPolarHBondContact O-CB 3.29Å; T918-T922 PolarHBondContact O-N 3Å; T918-T922 PolarHBondContact O-OG1 3.43Å; E919-T922 WeakPolarHBondContact O-CB 3.45Å; E919-T922 PolarHBondContact O-N 3.14Å; F920-T922 VanDerWaalsContact C-N 3.33Å; T922-L925 PolarHBondContact O-N 3.39Å; T922-R926 PolarHBondContact O-N 3.24Å |
| 923 | Q | 88.9 | Confident | 91.8 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 176.9 | -162.2 | -169.8 | 26.9 | 0 | 0 | 111.8 | M837 E919 F920 I921 R926 F927 | M837-Q923 HydrophobicContact CE-CB 4.22Å; E919-Q923 WeakPolarHBondContact O-CB 3.47Å; E919-Q923 PolarHBondContact O-N 3.31Å; F920-Q923 PolarHBondContact O-N 2.82Å; I921-Q923 VanDerWaalsContact C-N 3.33Å; I921-Q923 PolarHBondContact O-N 3.41Å; Q923-R926 WeakPolarHBondContact O-CB 3.44Å; Q923-R926 PolarHBondContact O-N 3.04Å; Q923-F927 HydrophobicContact CG-CE1 3.9Å; Q923-F927 HydrophobicContact CG-CE2 3.91Å; Q923-F927 HydrophobicContact CG-CZ 3.46Å; Q923-F927 VanDerWaalsContact CG-CZ 3.46Å; Q923-F927 WeakPolarHBondContact O-CD1 3.45Å; Q923-F927 VanDerWaalsContact O-CG 3.29Å; Q923-F927 WeakPolarHBondContact O-CG 3.49Å; Q923-F927 PolarHBondContact O-N 3.49Å |
| 924 | C | 90.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.02 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.3 | -36.4 | 178.1 | -65.5 | 0 | 0 | 0 | 0 | 112.7 | F920 I921 R926 F927 S928 L942 L949 | F920-C924 VanDerWaalsContact CE1-SG 3.59Å; F920-C924 PolarHBondContact O-N 3.04Å; F920-C924 PolarHBondContact O-SG 2.9Å; I921-C924 PolarHBondContact O-N 3.11Å; C924-R926 VanDerWaalsContact C-N 3.35Å; C924-F927 PolarHBondContact O-N 3.48Å; C924-S928 PolarHBondContact O-N 2.84Å; C924-S928 PolarHBondContact O-OG 3.12Å; C924-L942 HydrophobicContact CB-CD1 4.42Å; C924-L949 HydrophobicContact CB-CD1 4Å |
| 925 | L | 91.9 | Very high | 91.6 | Very high | 82 Ų | 82 | 43 Ų | 43 | 43% | 0.429 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.9 | -43 | 171.1 | -83 | 169.8 | 0 | 0 | 0 | 111.4 | I921 T922 F927 S928 N929 I946 | I921-L925 HydrophobicContact CG2-CD1 4.01Å; I921-L925 HydrophobicContact CG2-CG 4.49Å; I921-L925 WeakPolarHBondContact O-CB 3.12Å; I921-L925 WeakPolarHBondContact O-CG 3.3Å; I921-L925 PolarHBondContact O-N 2.84Å; T922-L925 PolarHBondContact O-N 3.39Å; L925-F927 PolarHBondContact O-N 3.04Å; L925-S928 PolarHBondContact O-N 3.21Å; L925-N929 WeakPolarHBondContact O-CB 3.49Å; L925-N929 PolarHBondContact O-N 3.22Å; L925-I946 HydrophobicContact CD1-CD1 4.46Å; L925-I946 HydrophobicContact CD2-CD1 3.36Å; L925-I946 HydrophobicContact CG-CD1 3.86Å |
| 926 | R | 91 | Very high | 91 | Very high | 83 Ų | 83 | 44.7 Ų | 44.7 | 31% | 0.313 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 175.2 | -172.6 | 179.6 | 70.5 | 124.9 | -4.5 | 111.6 | T922 Q923 C924 S928 N929 L930 | T922-R926 PolarHBondContact O-N 3.24Å; Q923-R926 WeakPolarHBondContact O-CB 3.44Å; Q923-R926 PolarHBondContact O-N 3.04Å; C924-R926 VanDerWaalsContact C-N 3.35Å; R926-S928 VanDerWaalsContact C-N 3.34Å; R926-S928 PolarHBondContact O-N 2.91Å; R926-N929 PolarHBondContact O-N 2.93Å; R926-L930 HydrophobicContact CG-CD1 4.35Å; R926-L930 WeakPolarHBondContact O-CG 3.35Å; R926-L930 PolarHBondContact O-N 3.39Å |
| 927 | F | 91.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 175.1 | -61.1 | -21.1 | 0 | 0 | 0 | 111.6 | L841 L844 A845 F848 Q923 C924 L925 N929 L930 I931 L942 | L841-F927 HydrophobicContact CD1-CE2 4.13Å; L844-F927 HydrophobicContact CD2-CD2 3.78Å; L844-F927 HydrophobicContact CD2-CE2 3.88Å; L844-F927 HydrophobicContact CG-CD2 4.09Å; L844-F927 HydrophobicContact CG-CE2 4.03Å; A845-F927 HydrophobicContact CB-CZ 4.04Å; F848-F927 HydrophobicContact CB-CD1 3.5Å; F848-F927 HydrophobicContact CB-CE1 3.52Å; F848-F927 HydrophobicContact CD1-CD1 4.35Å; F848-F927 HydrophobicContact CD2-CB 3.81Å; F848-F927 AromaticContact CD2-CD1 3.24Å; F848-F927 HydrophobicContact CD2-CD1 3.24Å; F848-F927 HydrophobicContact CD2-CD2 4.05Å; F848-F927 AromaticContact CD2-CE1 3.72Å; F848-F927 HydrophobicContact CD2-CE1 3.72Å; F848-F927 HydrophobicContact CD2-CE2 4.44Å; F848-F927 AromaticContact CD2-CG 3.43Å; F848-F927 HydrophobicContact CD2-CG 3.43Å; F848-F927 VanDerWaalsContact CD2-CG 3.43Å; F848-F927 HydrophobicContact CD2-CZ 4.29Å; F848-F927 HydrophobicContact CE2-CB 3.68Å; F848-F927 HydrophobicContact CE2-CD1 4.04Å; F848-F927 HydrophobicContact CE2-CD2 4.32Å; F848-F927 AromaticContact CE2-CG 3.77Å; F848-F927 HydrophobicContact CE2-CG 3.77Å; F848-F927 HydrophobicContact CG-CB 4.38Å; F848-F927 AromaticContact CG-CD1 3.44Å; F848-F927 HydrophobicContact CG-CD1 3.44Å; F848-F927 VanDerWaalsContact CG-CD1 3.44Å; F848-F927 AromaticContact CG-CE1 3.92Å; F848-F927 HydrophobicContact CG-CE1 3.92Å; F848-F927 HydrophobicContact CG-CG 4.05Å; F848-F927 HydrophobicContact CZ-CB 4.15Å; Q923-F927 HydrophobicContact CG-CE1 3.9Å; Q923-F927 HydrophobicContact CG-CE2 3.91Å; Q923-F927 HydrophobicContact CG-CZ 3.46Å; Q923-F927 VanDerWaalsContact CG-CZ 3.46Å; Q923-F927 WeakPolarHBondContact O-CD1 3.45Å; Q923-F927 VanDerWaalsContact O-CG 3.29Å; Q923-F927 WeakPolarHBondContact O-CG 3.49Å; Q923-F927 PolarHBondContact O-N 3.49Å; C924-F927 PolarHBondContact O-N 3.48Å; L925-F927 PolarHBondContact O-N 3.04Å; F927-N929 VanDerWaalsContact C-N 3.3Å; F927-N929 PolarHBondContact O-N 3.49Å; F927-L930 PolarHBondContact O-N 3Å; F927-I931 VanDerWaalsContact O-CG1 3.24Å; F927-I931 WeakPolarHBondContact O-CG1 3.47Å; F927-I931 PolarHBondContact O-N 3.45Å; F927-L942 HydrophobicContact CB-CD1 4.32Å |
| 928 | S | 91.2 | Very high | 90.1 | Very high | 53 Ų | 53 | 52.3 Ų | 52.3 | 37% | 0.371 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 177.5 | -57.1 | 0 | 0 | 0 | 0 | 112.1 | C924 L925 R926 I931 Q932 | C924-S928 PolarHBondContact O-N 2.84Å; C924-S928 PolarHBondContact O-OG 3.12Å; L925-S928 PolarHBondContact O-N 3.21Å; R926-S928 VanDerWaalsContact C-N 3.34Å; R926-S928 PolarHBondContact O-N 2.91Å; S928-I931 PolarHBondContact O-N 2.85Å; S928-Q932 PolarHBondContact O-N 3.46Å |
| 929 | N | 91.5 | Very high | 89.6 | Confident | 78 Ų | 78 | 51.3 Ų | 51.3 | 42% | 0.417 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.4 | -45.3 | 175.8 | -166.9 | -19.7 | 0 | 0 | 0 | 111.7 | L925 R926 F927 I931 Q932 Q933 | L925-N929 WeakPolarHBondContact O-CB 3.49Å; L925-N929 PolarHBondContact O-N 3.22Å; R926-N929 PolarHBondContact O-N 2.93Å; F927-N929 VanDerWaalsContact C-N 3.3Å; F927-N929 PolarHBondContact O-N 3.49Å; N929-I931 VanDerWaalsContact C-N 3.3Å; N929-I931 PolarHBondContact O-N 2.96Å; N929-Q932 WeakPolarHBondContact O-CB 3.39Å; N929-Q932 PolarHBondContact O-N 3.18Å; N929-Q932 VanDerWaalsContact O-N 3.14Å; N929-Q933 WeakPolarHBondContact O-CB 3.49Å; N929-Q933 WeakPolarHBondContact O-CG 3.39Å; N929-Q933 PolarHBondContact O-N 3.05Å; N929-Q933 WeakPolarHBondContact OD1-CG 3.43Å; N929-Q933 PolarHBondContact OD1-NE2 2.86Å |
| 930 | L | 92.1 | Very high | 89.5 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62 | -37.6 | 175.7 | -75.1 | 173.7 | 0 | 0 | 0 | 112.5 | F848 V851 L855 R926 F927 Q933 C934 | F848-L930 HydrophobicContact CB-CD1 4.03Å; F848-L930 HydrophobicContact CD1-CB 3.82Å; F848-L930 HydrophobicContact CD1-CD1 3.79Å; F848-L930 HydrophobicContact CD1-CG 4.48Å; F848-L930 HydrophobicContact CE1-CB 3.99Å; F848-L930 HydrophobicContact CG-CD1 4.26Å; V851-L930 HydrophobicContact CG1-CD2 4.47Å; L855-L930 HydrophobicContact CD1-CD2 3.56Å; R926-L930 HydrophobicContact CG-CD1 4.35Å; R926-L930 WeakPolarHBondContact O-CG 3.35Å; R926-L930 PolarHBondContact O-N 3.39Å; F927-L930 PolarHBondContact O-N 3Å; L930-Q933 PolarHBondContact O-N 3.47Å; L930-C934 WeakPolarHBondContact O-CB 3.01Å; L930-C934 PolarHBondContact O-N 3.19Å |
| 931 | I | 91.8 | Very high | 89.3 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 173.4 | -66.1 | 165.9 | 0 | 0 | 0 | 110 | F848 L875 I879 F927 S928 N929 Q933 Y935 I940 L942 | F848-I931 HydrophobicContact CE1-CG1 3.79Å; F848-I931 HydrophobicContact CZ-CD1 3.78Å; F848-I931 HydrophobicContact CZ-CG1 3.49Å; F848-I931 VanDerWaalsContact CZ-CG1 3.49Å; L875-I931 HydrophobicContact CD2-CG1 4.28Å; I879-I931 HydrophobicContact CD1-CD1 4.27Å; F927-I931 VanDerWaalsContact O-CG1 3.24Å; F927-I931 WeakPolarHBondContact O-CG1 3.47Å; F927-I931 PolarHBondContact O-N 3.45Å; S928-I931 PolarHBondContact O-N 2.85Å; N929-I931 VanDerWaalsContact C-N 3.3Å; N929-I931 PolarHBondContact O-N 2.96Å; I931-Q933 VanDerWaalsContact C-N 3.35Å; I931-Q933 PolarHBondContact O-N 3.49Å; I931-Y935 CarbonylContact O-C 3.58Å; I931-Y935 WeakPolarHBondContact O-CA 3.35Å; I931-Y935 WeakPolarHBondContact O-CB 3.34Å; I931-Y935 PolarHBondContact O-N 3.02Å; I931-I940 HydrophobicContact CG2-CB 4.32Å; I931-I940 HydrophobicContact CG2-CG2 4.43Å; I931-I940 WeakPolarHBondContact CG2-O 3.49Å; I931-L942 HydrophobicContact CD1-CD2 4.2Å; I931-L942 HydrophobicContact CD1-CG 4.35Å |
| 932 | Q | 90 | Very high | 89.2 | Confident | 148 Ų | 148 | 54.9 Ų | 54.9 | 69% | 0.692 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.1 | -39.1 | 178.9 | -172.1 | 178 | 9.5 | 0 | 0 | 112.7 | S928 N929 | S928-Q932 PolarHBondContact O-N 3.46Å; N929-Q932 WeakPolarHBondContact O-CB 3.39Å; N929-Q932 PolarHBondContact O-N 3.18Å; N929-Q932 VanDerWaalsContact O-N 3.14Å |
| 933 | Q | 89.8 | Confident | 89 | Confident | 91 Ų | 91 | 56.7 Ų | 56.7 | 43% | 0.425 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -74.6 | -45.2 | -179.1 | -72 | -178.5 | 13.7 | 0 | 0 | 113.2 | N929 L930 I931 | N929-Q933 WeakPolarHBondContact O-CB 3.49Å; N929-Q933 WeakPolarHBondContact O-CG 3.39Å; N929-Q933 PolarHBondContact O-N 3.05Å; N929-Q933 WeakPolarHBondContact OD1-CG 3.43Å; N929-Q933 PolarHBondContact OD1-NE2 2.86Å; L930-Q933 PolarHBondContact O-N 3.47Å; I931-Q933 VanDerWaalsContact C-N 3.35Å; I931-Q933 PolarHBondContact O-N 3.49Å |
| 934 | C | 90.5 | Very high | 89 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -93.3 | -20.7 | -171.9 | -61.7 | 0 | 0 | 0 | 0 | 113.3 | S861 V864 S865 L930 | S861-C934 WeakPolarHBondContact O-CA 3.43Å; V864-C934 HydrophobicContact CB-CB 4.16Å; V864-C934 HydrophobicContact CG1-CB 4.25Å; S865-C934 WeakPolarHBondContact CB-O 3.49Å; L930-C934 WeakPolarHBondContact O-CB 3.01Å; L930-C934 PolarHBondContact O-N 3.19Å |
| 935 | Y | 90.7 | Very high | 88.9 | Confident | 3 Ų | 3 | 60 Ų | 60 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -131.4 | 53.4 | -177.2 | -49.9 | -91.5 | 0 | 0 | 0 | 111.6 | S865 F870 K872 L875 I931 S938 | S865-Y935 VanDerWaalsContact CB-CD1 3.44Å; S865-Y935 VanDerWaalsContact CB-CE1 3.48Å; F870-Y935 WeakPolarHBondContact O-CE1 3.41Å; F870-Y935 VanDerWaalsContact O-CZ 3.27Å; F870-Y935 PolarHBondContact O-OH 3.47Å; K872-Y935 HydrophobicContact CG-CD1 3.73Å; K872-Y935 HydrophobicContact CG-CE1 4.26Å; L875-Y935 HydrophobicContact CD2-CD1 4.19Å; L875-Y935 HydrophobicContact CD2-CD2 3.72Å; L875-Y935 HydrophobicContact CD2-CE1 4.21Å; L875-Y935 HydrophobicContact CD2-CE2 3.77Å; L875-Y935 HydrophobicContact CD2-CG 3.93Å; I931-Y935 CarbonylContact O-C 3.58Å; I931-Y935 WeakPolarHBondContact O-CA 3.35Å; I931-Y935 WeakPolarHBondContact O-CB 3.34Å; I931-Y935 PolarHBondContact O-N 3.02Å; Y935-S938 VanDerWaalsContact O-CB 3.3Å; Y935-S938 WeakPolarHBondContact O-CB 3.33Å; Y935-S938 PolarHBondContact O-N 3.12Å; Y935-S938 PolarHBondContact O-OG 2.85Å |
| 936 | P | 82.7 | Confident | 88.8 | Confident | 66 Ų | 66 | 59 Ų | 59 | 43% | 0.429 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 145.9 | 176.1 | 27.9 | -34.7 | 0 | 0 | 0 | 110.1 | S938 | P936-S938 PolarHBondContact O-N 3.3Š|
| 937 | D | 82 | Confident | 88.8 | Confident | 170 Ų | 170 | 59.1 Ų | 59.1 | 91% | 0.909 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 10.7 | 178.4 | -47.4 | -43.3 | 0 | 0 | 0 | 115.9 | G939 | D937-G939 VanDerWaalsContact C-N 3.26Å; D937-G939 PolarHBondContact O-N 3.41Å |
| 938 | S | 84.2 | Confident | 88.8 | Confident | 33 Ų | 33 | 61.7 Ų | 61.7 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -73.9 | -19.4 | 177.4 | 65.5 | 0 | 0 | 0 | 0 | 113.2 | Y935 P936 I940 | Y935-S938 VanDerWaalsContact O-CB 3.3Å; Y935-S938 WeakPolarHBondContact O-CB 3.33Å; Y935-S938 PolarHBondContact O-N 3.12Å; Y935-S938 PolarHBondContact O-OG 2.85Å; P936-S938 PolarHBondContact O-N 3.3Å; S938-I940 PolarHBondContact O-N 3.5Å; S938-I940 WeakPolarHBondContact OG-CB 3.4Å; S938-I940 WeakPolarHBondContact OG-CG1 3.48Å; S938-I940 PolarHBondContact OG-N 3.42Å |
| 939 | G | 84.6 | Confident | 88.8 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 63% | 0.629 | 33% | 0.325 | S | S | * | . | trans | 63.6 | 11.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D937 H941 | D937-G939 VanDerWaalsContact C-N 3.26Å; D937-G939 PolarHBondContact O-N 3.41Å; G939-H941 PolarHBondContact O-CD2 3.42Å | ||
| 940 | I | 88.1 | Confident | 88.8 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 7% | 0.072 | 33% | 0.325 | C | S | . | . | trans | -80.7 | 128.2 | -179.6 | -59.5 | 171.7 | 0 | 0 | 0 | 108.3 | K872 L875 L876 I879 I931 S938 | K872-I940 HydrophobicContact CB-CD1 4.35Å; K872-I940 HydrophobicContact CG-CD1 4.44Å; L875-I940 HydrophobicContact CD2-CD1 4.05Å; L875-I940 HydrophobicContact CD2-CG2 3.88Å; L875-I940 HydrophobicContact CG-CG2 4.22Å; L876-I940 HydrophobicContact CD1-CD1 4.42Å; L876-I940 HydrophobicContact CD2-CD1 4.23Å; L876-I940 HydrophobicContact CD2-CG1 4.03Å; L876-I940 HydrophobicContact CD2-CG2 4.2Å; L876-I940 HydrophobicContact CG-CD1 4Å; L876-I940 HydrophobicContact CG-CG1 4.35Å; I879-I940 HydrophobicContact CD1-CG2 3.51Å; I931-I940 HydrophobicContact CG2-CB 4.32Å; I931-I940 HydrophobicContact CG2-CG2 4.43Å; I931-I940 WeakPolarHBondContact CG2-O 3.49Å; S938-I940 PolarHBondContact O-N 3.5Å; S938-I940 WeakPolarHBondContact OG-CB 3.4Å; S938-I940 WeakPolarHBondContact OG-CG1 3.48Å; S938-I940 PolarHBondContact OG-N 3.42Å | ||
| 941 | H | 88.3 | Confident | 88.8 | Confident | 147 Ų | 147 | 63.5 Ų | 63.5 | 68% | 0.681 | 35% | 0.345 | S | S | * | . | trans | -136.8 | 162.2 | 174.1 | -61.5 | -72.1 | 0 | 0 | 0 | 109.3 | G939 | G939-H941 PolarHBondContact O-CD2 3.42Š| ||
| 942 | L | 89.4 | Confident | 88.9 | Confident | 20 Ų | 20 | 65 Ų | 65 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | trans | -63.4 | 144.8 | 167.9 | -60.6 | 176 | 0 | 0 | 0 | 109.1 | L844 I879 C924 F927 I931 F944 | L844-L942 HydrophobicContact CD1-CD2 4.5Å; L844-L942 HydrophobicContact CD2-CD2 4Å; I879-L942 HydrophobicContact CD1-CD2 4.49Å; I879-L942 HydrophobicContact CG1-CD2 4.35Å; C924-L942 HydrophobicContact CB-CD1 4.42Å; F927-L942 HydrophobicContact CB-CD1 4.32Å; I931-L942 HydrophobicContact CD1-CD2 4.2Å; I931-L942 HydrophobicContact CD1-CG 4.35Å; L942-F944 HydrophobicContact CB-CE1 4.28Å; L942-F944 HydrophobicContact CB-CE2 4.43Å; L942-F944 HydrophobicContact CB-CZ 4.24Å; L942-F944 HydrophobicContact CD1-CE2 4.09Å; L942-F944 HydrophobicContact CD1-CZ 4.02Å; L942-F944 PolarHBondContact O-N 3.46Å | ||
| 943 | E | 88 | Confident | 89 | Confident | 111 Ų | 111 | 58.1 Ų | 58.1 | 52% | 0.519 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -71.9 | 2.6 | -177.7 | -66 | -171.9 | -176.2 | 0 | 0 | 114.1 | I879 P883 | I879-E943 HydrophobicContact CG2-CG 4.02Å; P883-E943 WeakPolarHBondContact CA-OE2 3.42Å; P883-E943 WeakPolarHBondContact CB-OE2 3.47Å |
| 944 | F | 88.3 | Confident | 89 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 7% | 0.066 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -136.8 | 148.7 | -179.7 | 54 | -91.9 | 0 | 0 | 0 | 109.9 | V887 L942 D948 L949 | V887-F944 HydrophobicContact CG2-CD1 3.89Å; V887-F944 HydrophobicContact CG2-CE1 3.59Å; V887-F944 HydrophobicContact CG2-CZ 4.19Å; L942-F944 HydrophobicContact CB-CE1 4.28Å; L942-F944 HydrophobicContact CB-CE2 4.43Å; L942-F944 HydrophobicContact CB-CZ 4.24Å; L942-F944 HydrophobicContact CD1-CE2 4.09Å; L942-F944 HydrophobicContact CD1-CZ 4.02Å; L942-F944 PolarHBondContact O-N 3.46Å; F944-D948 HydrophobicContact CB-CB 4.45Å; F944-L949 HydrophobicContact CD2-CD1 4.06Å; F944-L949 HydrophobicContact CD2-CD2 3.69Å; F944-L949 HydrophobicContact CD2-CG 3.79Å; F944-L949 HydrophobicContact CE2-CD1 3.9Å; F944-L949 HydrophobicContact CE2-CD2 3.87Å; F944-L949 HydrophobicContact CE2-CG 4.08Å |
| 945 | T | 89.2 | Confident | 89 | Confident | 75 Ų | 75 | 62.2 Ų | 62.2 | 46% | 0.46 | 34% | 0.343 | S | S | . | . | trans | -94.9 | 166.6 | 177.2 | 69.2 | 0 | 0 | 0 | 0 | 111.7 | T947 D948 L949 | T945-T947 PolarHBondContact O-N 2.98Å; T945-T947 PolarHBondContact OG1-N 3.29Å; T945-D948 WeakPolarHBondContact CB-OD2 3.47Å; T945-D948 PolarHBondContact N-OD2 2.89Å; T945-D948 WeakPolarHBondContact O-CB 3.42Å; T945-D948 PolarHBondContact O-N 2.89Å; T945-D948 PolarHBondContact OG1-N 3.19Å; T945-D948 VanDerWaalsContact OG1-N 3.16Å; T945-D948 PolarHBondContact OG1-OD2 3.39Å; T945-L949 PolarHBondContact O-N 3.15Å; T945-L949 VanDerWaalsContact O-N 3.1Å | ||
| 946 | I | 90.1 | Very high | 88.9 | Confident | 62 Ų | 62 | 62.2 Ų | 62.2 | 32% | 0.318 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.9 | -34.9 | 172.9 | -59.1 | 172.3 | 0 | 0 | 0 | 110.7 | I921 L925 D948 L949 Q950 | I921-I946 HydrophobicContact CG2-CG2 4.09Å; L925-I946 HydrophobicContact CD1-CD1 4.46Å; L925-I946 HydrophobicContact CD2-CD1 3.36Å; L925-I946 HydrophobicContact CG-CD1 3.86Å; I946-D948 VanDerWaalsContact C-N 3.34Å; I946-L949 WeakPolarHBondContact O-CB 3.36Å; I946-L949 PolarHBondContact O-N 2.71Å; I946-Q950 WeakPolarHBondContact O-CG 3.34Å; I946-Q950 PolarHBondContact O-N 3.39Å |
| 947 | T | 90.8 | Very high | 89 | Confident | 85 Ų | 85 | 61.1 Ų | 61.1 | 52% | 0.521 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 175.5 | -47.4 | 0 | 0 | 0 | 0 | 111.1 | T945 L949 Q950 N951 | T945-T947 PolarHBondContact O-N 2.98Å; T945-T947 PolarHBondContact OG1-N 3.29Å; T947-L949 PolarHBondContact O-N 3.16Å; T947-Q950 PolarHBondContact O-N 3.4Å; T947-N951 VanDerWaalsContact O-CG 3.26Å; T947-N951 PolarHBondContact O-N 2.65Å; T947-N951 PolarHBondContact O-ND2 3.19Å |
| 948 | D | 92 | Very high | 88.9 | Confident | 54 Ų | 54 | 57.9 Ų | 57.9 | 29% | 0.289 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 175.3 | -59 | -47.7 | 0 | 0 | 0 | 111.1 | F944 T945 I946 Q950 N951 Y952 | F944-D948 HydrophobicContact CB-CB 4.45Å; T945-D948 WeakPolarHBondContact CB-OD2 3.47Å; T945-D948 PolarHBondContact N-OD2 2.89Å; T945-D948 WeakPolarHBondContact O-CB 3.42Å; T945-D948 PolarHBondContact O-N 2.89Å; T945-D948 PolarHBondContact OG1-N 3.19Å; T945-D948 VanDerWaalsContact OG1-N 3.16Å; T945-D948 PolarHBondContact OG1-OD2 3.39Å; I946-D948 VanDerWaalsContact C-N 3.34Å; D948-Q950 PolarHBondContact O-N 2.95Å; D948-N951 WeakPolarHBondContact O-CB 3.39Å; D948-N951 PolarHBondContact O-N 3.01Å; D948-Y952 HydrophobicContact CB-CE1 4.39Å; D948-Y952 HydrophobicContact CB-CE2 4.21Å; D948-Y952 VanDerWaalsContact O-CD1 3.22Å; D948-Y952 WeakPolarHBondContact O-CD1 3.34Å; D948-Y952 WeakPolarHBondContact O-CD2 3.39Å; D948-Y952 PolarHBondContact O-N 3.47Å |
| 949 | L | 91.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 175.9 | -66.7 | -179.5 | 0 | 0 | 0 | 111.9 | V887 F920 C924 F944 T945 I946 T947 N951 Y952 F953 | V887-L949 HydrophobicContact CG1-CD2 3.88Å; F920-L949 HydrophobicContact CD1-CD1 4.11Å; F920-L949 HydrophobicContact CD1-CD2 4.37Å; F920-L949 HydrophobicContact CE1-CD1 4Å; F920-L949 HydrophobicContact CE1-CD2 3.71Å; F920-L949 HydrophobicContact CE1-CG 4.47Å; C924-L949 HydrophobicContact CB-CD1 4Å; F944-L949 HydrophobicContact CD2-CD1 4.06Å; F944-L949 HydrophobicContact CD2-CD2 3.69Å; F944-L949 HydrophobicContact CD2-CG 3.79Å; F944-L949 HydrophobicContact CE2-CD1 3.9Å; F944-L949 HydrophobicContact CE2-CD2 3.87Å; F944-L949 HydrophobicContact CE2-CG 4.08Å; T945-L949 PolarHBondContact O-N 3.15Å; T945-L949 VanDerWaalsContact O-N 3.1Å; I946-L949 WeakPolarHBondContact O-CB 3.36Å; I946-L949 PolarHBondContact O-N 2.71Å; T947-L949 PolarHBondContact O-N 3.16Å; L949-N951 VanDerWaalsContact C-N 3.29Å; L949-N951 PolarHBondContact O-N 3.06Å; L949-Y952 HydrophobicContact CD2-CD2 4.17Å; L949-Y952 PolarHBondContact O-N 3.36Å; L949-Y952 VanDerWaalsContact O-N 3.17Å; L949-F953 VanDerWaalsContact O-CD2 3.26Å; L949-F953 WeakPolarHBondContact O-CD2 3.43Å; L949-F953 PolarHBondContact O-N 3.41Å |
| 950 | Q | 91.3 | Very high | 87.5 | Confident | 90 Ų | 90 | 65.7 Ų | 65.7 | 42% | 0.421 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.5 | -44.8 | 177.1 | -74.1 | 177.2 | -13.7 | 0 | 0 | 111.2 | I921 I946 T947 D948 Y952 F953 T954 | I921-Q950 HydrophobicContact CD1-CG 4.14Å; I946-Q950 WeakPolarHBondContact O-CG 3.34Å; I946-Q950 PolarHBondContact O-N 3.39Å; T947-Q950 PolarHBondContact O-N 3.4Å; D948-Q950 PolarHBondContact O-N 2.95Å; Q950-Y952 PolarHBondContact O-N 3.45Å; Q950-F953 PolarHBondContact O-N 3Å; Q950-T954 PolarHBondContact O-N 3.36Å; Q950-T954 PolarHBondContact O-OG1 3.11Å; Q950-T954 VanDerWaalsContact O-OG1 3.11Å |
| 951 | N | 92.8 | Very high | 87.5 | Confident | 81 Ų | 81 | 68.3 Ų | 68.3 | 43% | 0.433 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 175.5 | -67.9 | -22.6 | 0 | 0 | 0 | 111.7 | T947 D948 L949 F953 T954 E955 | T947-N951 VanDerWaalsContact O-CG 3.26Å; T947-N951 PolarHBondContact O-N 2.65Å; T947-N951 PolarHBondContact O-ND2 3.19Å; D948-N951 WeakPolarHBondContact O-CB 3.39Å; D948-N951 PolarHBondContact O-N 3.01Å; L949-N951 VanDerWaalsContact C-N 3.29Å; L949-N951 PolarHBondContact O-N 3.06Å; N951-F953 PolarHBondContact O-N 2.88Å; N951-T954 PolarHBondContact O-N 3.11Å; N951-E955 WeakPolarHBondContact O-CB 3.44Å; N951-E955 VanDerWaalsContact O-CG 3.32Å; N951-E955 WeakPolarHBondContact O-CG 3.35Å; N951-E955 PolarHBondContact O-N 3.45Å |
| 952 | Y | 92.8 | Very high | 87.5 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 15% | 0.153 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 177 | -58.6 | -19 | 0 | 0 | 0 | 111.6 | G884 K888 D948 L949 Q950 T954 E955 I956 | G884-Y952 WeakPolarHBondContact O-CE2 3.37Å; K888-Y952 HydrophobicContact CB-CD1 4.32Å; K888-Y952 HydrophobicContact CB-CD2 4.04Å; K888-Y952 HydrophobicContact CB-CE2 4.26Å; K888-Y952 HydrophobicContact CB-CG 4.08Å; K888-Y952 HydrophobicContact CD-CD1 3.93Å; K888-Y952 HydrophobicContact CD-CE1 4.3Å; K888-Y952 HydrophobicContact CD-CG 4.36Å; K888-Y952 HydrophobicContact CG-CD1 4.28Å; K888-Y952 HydrophobicContact CG-CG 4.2Å; D948-Y952 HydrophobicContact CB-CE1 4.39Å; D948-Y952 HydrophobicContact CB-CE2 4.21Å; D948-Y952 VanDerWaalsContact O-CD1 3.22Å; D948-Y952 WeakPolarHBondContact O-CD1 3.34Å; D948-Y952 WeakPolarHBondContact O-CD2 3.39Å; D948-Y952 PolarHBondContact O-N 3.47Å; L949-Y952 HydrophobicContact CD2-CD2 4.17Å; L949-Y952 PolarHBondContact O-N 3.36Å; L949-Y952 VanDerWaalsContact O-N 3.17Å; Q950-Y952 PolarHBondContact O-N 3.45Å; Y952-T954 PolarHBondContact O-N 3Å; Y952-E955 PolarHBondContact O-N 3.5Å; Y952-I956 WeakPolarHBondContact O-CB 3.49Å; Y952-I956 WeakPolarHBondContact O-CD1 3.46Å; Y952-I956 WeakPolarHBondContact O-CG1 3.32Å; Y952-I956 PolarHBondContact O-N 2.97Å |
| 953 | F | 92.2 | Very high | 87.3 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.009 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 177.3 | -86.2 | -79.9 | 0 | 0 | 0 | 112.4 | L891 W913 I916 Q917 F920 L949 Q950 N951 A957 | L891-F953 HydrophobicContact CD1-CD2 4.17Å; L891-F953 HydrophobicContact CD1-CE2 3.78Å; L891-F953 HydrophobicContact CD1-CZ 4.09Å; L891-F953 HydrophobicContact CD2-CE1 4.18Å; L891-F953 HydrophobicContact CD2-CE2 4.06Å; L891-F953 HydrophobicContact CD2-CZ 3.56Å; L891-F953 HydrophobicContact CG-CZ 4.46Å; W913-F953 AromaticContact CE2-CD1 3.63Å; W913-F953 AromaticContact CE2-CE1 3.93Å; W913-F953 HydrophobicContact CH2-CD1 4.46Å; W913-F953 HydrophobicContact CH2-CE1 4.09Å; W913-F953 AromaticContact CZ2-CD1 3.61Å; W913-F953 HydrophobicContact CZ2-CD1 3.61Å; W913-F953 AromaticContact CZ2-CE1 3.69Å; W913-F953 HydrophobicContact CZ2-CE1 3.69Å; W913-F953 AromaticContact NE1-CD1 3.64Å; I916-F953 HydrophobicContact CG2-CE1 4.38Å; Q917-F953 HydrophobicContact CB-CD1 3.68Å; Q917-F953 HydrophobicContact CB-CD2 4.34Å; Q917-F953 HydrophobicContact CB-CE1 3.72Å; Q917-F953 HydrophobicContact CB-CE2 4.37Å; Q917-F953 HydrophobicContact CB-CG 4.03Å; Q917-F953 HydrophobicContact CB-CZ 4.08Å; Q917-F953 HydrophobicContact CG-CB 4.15Å; Q917-F953 HydrophobicContact CG-CD1 3.88Å; Q917-F953 HydrophobicContact CG-CD2 3.78Å; Q917-F953 HydrophobicContact CG-CE1 4.22Å; Q917-F953 HydrophobicContact CG-CE2 4.13Å; Q917-F953 HydrophobicContact CG-CG 3.67Å; Q917-F953 HydrophobicContact CG-CZ 4.35Å; F920-F953 HydrophobicContact CB-CE2 4.14Å; F920-F953 HydrophobicContact CB-CZ 3.87Å; F920-F953 AromaticContact CD1-CE2 3.91Å; F920-F953 HydrophobicContact CD1-CE2 3.91Å; F920-F953 HydrophobicContact CD1-CZ 4.27Å; F920-F953 HydrophobicContact CG-CE2 4.08Å; F920-F953 AromaticContact CG-CZ 3.97Å; F920-F953 HydrophobicContact CG-CZ 3.97Å; L949-F953 VanDerWaalsContact O-CD2 3.26Å; L949-F953 WeakPolarHBondContact O-CD2 3.43Å; L949-F953 PolarHBondContact O-N 3.41Å; Q950-F953 PolarHBondContact O-N 3Å; N951-F953 PolarHBondContact O-N 2.88Å; F953-A957 VanDerWaalsContact O-CB 3.29Å; F953-A957 WeakPolarHBondContact O-CB 3.37Å; F953-A957 PolarHBondContact O-N 3.48Å |
| 954 | T | 89.7 | Confident | 87.3 | Confident | 80 Ų | 80 | 63.9 Ų | 63.9 | 49% | 0.491 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.1 | -46.3 | 177.2 | -61.5 | 0 | 0 | 0 | 0 | 111.8 | Q950 N951 Y952 I956 A957 C958 | Q950-T954 PolarHBondContact O-N 3.36Å; Q950-T954 PolarHBondContact O-OG1 3.11Å; Q950-T954 VanDerWaalsContact O-OG1 3.11Å; N951-T954 PolarHBondContact O-N 3.11Å; Y952-T954 PolarHBondContact O-N 3Å; T954-I956 PolarHBondContact O-N 3.29Å; T954-A957 PolarHBondContact O-N 3.2Å; T954-C958 WeakPolarHBondContact O-CB 3.48Å; T954-C958 PolarHBondContact O-N 2.92Å; T954-C958 PolarHBondContact O-SG 3.33Å; T954-C958 VanDerWaalsContact O-SG 3.37Å |
| 955 | E | 90.6 | Very high | 87.2 | Confident | 97 Ų | 97 | 67 Ų | 67 | 45% | 0.453 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61 | -45 | 177.4 | -75.1 | 177.2 | -174.8 | 0 | 0 | 111.9 | K888 N951 Y952 A957 C958 S959 | K888-E955 IonicContact NZ-OE2 3.58Å; K888-E955 PolarHBondContact NZ-OE2 3.13Å; N951-E955 WeakPolarHBondContact O-CB 3.44Å; N951-E955 VanDerWaalsContact O-CG 3.32Å; N951-E955 WeakPolarHBondContact O-CG 3.35Å; N951-E955 PolarHBondContact O-N 3.45Å; Y952-E955 PolarHBondContact O-N 3.5Å; E955-A957 VanDerWaalsContact C-N 3.34Å; E955-A957 PolarHBondContact O-N 2.82Å; E955-C958 PolarHBondContact O-N 3.07Å; E955-S959 WeakPolarHBondContact O-CB 3.49Å; E955-S959 PolarHBondContact O-N 3.34Å |
| 956 | I | 89.1 | Confident | 87.1 | Confident | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.021 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 177.5 | -68.1 | 166 | 0 | 0 | 0 | 110 | L891 E892 C895 W913 Y952 T954 C958 S959 | L891-I956 HydrophobicContact CB-CD1 3.49Å; L891-I956 VanDerWaalsContact CB-CD1 3.49Å; E892-I956 HydrophobicContact CG-CD1 3.95Å; E892-I956 HydrophobicContact CG-CG1 3.84Å; C895-I956 HydrophobicContact CB-CG2 3.65Å; C895-I956 VanDerWaalsContact SG-CG2 3.56Å; W913-I956 HydrophobicContact CZ2-CB 4.47Å; W913-I956 HydrophobicContact CZ2-CG2 3.84Å; Y952-I956 WeakPolarHBondContact O-CB 3.49Å; Y952-I956 WeakPolarHBondContact O-CD1 3.46Å; Y952-I956 WeakPolarHBondContact O-CG1 3.32Å; Y952-I956 PolarHBondContact O-N 2.97Å; T954-I956 PolarHBondContact O-N 3.29Å; I956-C958 VanDerWaalsContact C-N 3.34Å; I956-C958 PolarHBondContact O-N 3.32Å; I956-S959 PolarHBondContact O-N 3.04Å; I956-S959 PolarHBondContact O-OG 3.06Å |
| 957 | A | 84 | Confident | 86.9 | Confident | 43 Ų | 43 | 66.8 Ų | 66.8 | 36% | 0.355 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.5 | -35 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F953 T954 E955 | F953-A957 VanDerWaalsContact O-CB 3.29Å; F953-A957 WeakPolarHBondContact O-CB 3.37Å; F953-A957 PolarHBondContact O-N 3.48Å; T954-A957 PolarHBondContact O-N 3.2Å; E955-A957 VanDerWaalsContact C-N 3.34Å; E955-A957 PolarHBondContact O-N 2.82Å |
| 958 | C | 80.7 | Confident | 86.6 | Confident | 101 Ų | 101 | 65.4 Ų | 65.4 | 68% | 0.682 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -76.5 | -19.2 | 175.3 | -72.3 | 0 | 0 | 0 | 0 | 113.9 | T954 E955 I956 R960 | T954-C958 WeakPolarHBondContact O-CB 3.48Å; T954-C958 PolarHBondContact O-N 2.92Å; T954-C958 PolarHBondContact O-SG 3.33Å; T954-C958 VanDerWaalsContact O-SG 3.37Å; E955-C958 PolarHBondContact O-N 3.07Å; I956-C958 VanDerWaalsContact C-N 3.34Å; I956-C958 PolarHBondContact O-N 3.32Å; C958-R960 VanDerWaalsContact C-N 3.32Å |
| 959 | S | 76.1 | Confident | 86.2 | Confident | 97 Ų | 97 | 66.3 Ų | 66.3 | 68% | 0.678 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -80.9 | -13.5 | 178.6 | 73.7 | 0 | 0 | 0 | 0 | 113.9 | E955 I956 | E955-S959 WeakPolarHBondContact O-CB 3.49Å; E955-S959 PolarHBondContact O-N 3.34Å; I956-S959 PolarHBondContact O-N 3.04Å; I956-S959 PolarHBondContact O-OG 3.06Å |
| 960 | R | 63.4 | Low | 85.7 | Confident | 161 Ų | 161 | 72.3 Ų | 72.3 | 61% | 0.608 | 39% | 0.391 | S | S | * | . | trans | -81.7 | 0 | 167.9 | -177.3 | -173.1 | 177.6 | -152.7 | -3.7 | 109.5 | E899 F909 C958 | E899-R960 WeakPolarHBondContact OE1-CD 3.41Å; E899-R960 IonicContact OE1-NE 3.5Å; F909-R960 VanDerWaalsContact CG-NH1 3.3Å; C958-R960 VanDerWaalsContact C-N 3.32Å |
Retrieved 960 of 960 residues in 2677.2 ms
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