| 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 | 51.3 | Low | 76.2 | Confident | 118 Ų | 118 | 86.5 Ų | 86.5 | 58% | 0.581 | 44% | 0.44 | S | S | * | . | 0 | -87.3 | 0 | -60.6 | -42.6 | -73.4 | 0 | 0 | 111.6 | E3 I4 N5 T48 | M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 3.37Å; M1-I4 PolarHBondContact O-N 2.83Å; M1-N5 PolarHBondContact O-N 2.75Å; M1-T48 HydrophobicContact CE-CG2 3.5Å; M1-T48 VanDerWaalsContact CE-CG2 3.5Å | |||
| 2 | E | 62.1 | Low | 77.2 | Confident | 148 Ų | 148 | 81 Ų | 81 | 69% | 0.692 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.5 | -36.6 | -176.8 | -70.1 | -169 | 177.3 | 0 | 0 | 114.5 | K6 | E2-K6 WeakPolarHBondContact O-CG 3.38Å; E2-K6 PolarHBondContact O-N 3.01Å; E2-K6 VanDerWaalsContact O-N 3.16Å |
| 3 | E | 62.2 | Low | 78.1 | Confident | 149 Ų | 149 | 78.9 Ų | 78.9 | 70% | 0.696 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.9 | -49.8 | 176.6 | -67.2 | 175.3 | 153.8 | 0 | 0 | 111.6 | M1 N5 K6 D7 | M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 3.37Å; E3-N5 PolarHBondContact O-N 2.68Å; E3-K6 WeakPolarHBondContact O-CA 3.43Å; E3-K6 WeakPolarHBondContact O-CB 3.47Å; E3-K6 PolarHBondContact O-N 2.65Å; E3-D7 PolarHBondContact O-N 3.11Å |
| 4 | I | 69.3 | Low | 79 | Confident | 69 Ų | 69 | 75.4 Ų | 75.4 | 35% | 0.354 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -55 | -40.8 | 175.6 | -59 | 173.1 | 0 | 0 | 0 | 111.3 | M1 K6 D7 L8 | M1-I4 PolarHBondContact O-N 2.83Å; I4-K6 VanDerWaalsContact C-N 3.34Å; I4-K6 PolarHBondContact O-N 3.14Å; I4-D7 PolarHBondContact O-N 3.38Å; I4-L8 HydrophobicContact CG2-CD1 3.93Å; I4-L8 HydrophobicContact CG2-CG 4.39Å; I4-L8 WeakPolarHBondContact O-CB 3.48Å; I4-L8 WeakPolarHBondContact O-CG 3.45Å; I4-L8 PolarHBondContact O-N 3.17Å |
| 5 | N | 74.9 | Confident | 79.8 | Confident | 54 Ų | 54 | 70.4 Ų | 70.4 | 29% | 0.289 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.6 | -33.1 | 176.3 | -72.1 | -4.8 | 0 | 0 | 0 | 112.5 | M1 E3 Q9 F52 | M1-N5 PolarHBondContact O-N 2.75Å; E3-N5 PolarHBondContact O-N 2.68Å; N5-Q9 WeakPolarHBondContact O-CB 3.38Å; N5-Q9 PolarHBondContact O-N 3.27Å; N5-F52 HydrophobicContact CB-CD2 4.25Å; N5-F52 HydrophobicContact CB-CE2 4.33Å |
| 6 | K | 82.7 | Confident | 80.6 | Confident | 120 Ų | 120 | 66.8 Ų | 66.8 | 52% | 0.522 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -70.9 | -42.5 | 174.7 | -70.6 | 164 | -173.8 | 165.8 | 0 | 111.4 | E2 E3 I4 Q9 A10 | E2-K6 WeakPolarHBondContact O-CG 3.38Å; E2-K6 PolarHBondContact O-N 3.01Å; E2-K6 VanDerWaalsContact O-N 3.16Å; E3-K6 WeakPolarHBondContact O-CA 3.43Å; E3-K6 WeakPolarHBondContact O-CB 3.47Å; E3-K6 PolarHBondContact O-N 2.65Å; I4-K6 VanDerWaalsContact C-N 3.34Å; I4-K6 PolarHBondContact O-N 3.14Å; K6-Q9 WeakPolarHBondContact O-CB 3.45Å; K6-Q9 PolarHBondContact O-N 3.09Å; K6-A10 WeakPolarHBondContact O-CB 3.37Å; K6-A10 PolarHBondContact O-N 3.44Å |
| 7 | D | 85.9 | Confident | 81.2 | Confident | 90 Ų | 90 | 70.1 Ų | 70.1 | 48% | 0.481 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 177.7 | -62.3 | -21.7 | 0 | 0 | 0 | 110.7 | E3 I4 Q9 A10 A11 F39 | E3-D7 PolarHBondContact O-N 3.11Å; I4-D7 PolarHBondContact O-N 3.38Å; D7-Q9 PolarHBondContact O-N 3.42Å; D7-A10 PolarHBondContact O-N 3.37Å; D7-A11 WeakPolarHBondContact O-CB 3.41Å; D7-A11 PolarHBondContact O-N 2.99Å; D7-F39 HydrophobicContact CB-CZ 4.05Å |
| 8 | L | 86.4 | Confident | 81.6 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 172 | -75.4 | 172.1 | 0 | 0 | 0 | 112.6 | I4 A11 V12 F39 A49 F52 I53 | I4-L8 HydrophobicContact CG2-CD1 3.93Å; I4-L8 HydrophobicContact CG2-CG 4.39Å; I4-L8 WeakPolarHBondContact O-CB 3.48Å; I4-L8 WeakPolarHBondContact O-CG 3.45Å; I4-L8 PolarHBondContact O-N 3.17Å; L8-A11 PolarHBondContact O-N 3.45Å; L8-V12 WeakPolarHBondContact O-CB 3.35Å; L8-V12 VanDerWaalsContact O-CG2 3.3Å; L8-V12 WeakPolarHBondContact O-CG2 3.18Å; L8-V12 PolarHBondContact O-N 3.3Å; L8-F39 HydrophobicContact CD2-CB 3.81Å; L8-F39 HydrophobicContact CD2-CD1 4.44Å; L8-F39 HydrophobicContact CD2-CD2 3.5Å; L8-F39 HydrophobicContact CD2-CE2 4.17Å; L8-F39 HydrophobicContact CD2-CG 3.68Å; L8-F39 HydrophobicContact CG-CD2 4.33Å; L8-F39 HydrophobicContact CG-CG 4.33Å; L8-A49 HydrophobicContact CD1-CB 3.68Å; L8-F52 HydrophobicContact CB-CD1 3.65Å; L8-F52 HydrophobicContact CB-CE1 3.78Å; L8-F52 HydrophobicContact CD1-CB 4.47Å; L8-F52 HydrophobicContact CD1-CD1 4.21Å; L8-I53 HydrophobicContact CD2-CD1 4.04Å; L8-I53 HydrophobicContact CD2-CG1 4.26Å |
| 9 | Q | 87.3 | Confident | 81.9 | Confident | 127 Ų | 127 | 73.8 Ų | 73.8 | 59% | 0.593 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -65.3 | -40.6 | 175.9 | -169.6 | 173.5 | 0.1 | 0 | 0 | 111.6 | N5 K6 D7 G13 F52 | N5-Q9 WeakPolarHBondContact O-CB 3.38Å; N5-Q9 PolarHBondContact O-N 3.27Å; K6-Q9 WeakPolarHBondContact O-CB 3.45Å; K6-Q9 PolarHBondContact O-N 3.09Å; D7-Q9 PolarHBondContact O-N 3.42Å; Q9-G13 PolarHBondContact O-N 3.19Å; Q9-F52 HydrophobicContact CB-CE1 4.19Å; Q9-F52 HydrophobicContact CB-CZ 3.7Å; Q9-F52 HydrophobicContact CG-CZ 4.18Å |
| 10 | A | 88.1 | Confident | 82 | Confident | 65 Ų | 65 | 73 Ų | 73 | 54% | 0.537 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K6 D7 G13 S14 | K6-A10 WeakPolarHBondContact O-CB 3.37Å; K6-A10 PolarHBondContact O-N 3.44Å; D7-A10 PolarHBondContact O-N 3.37Å; A10-G13 PolarHBondContact O-N 3.32Å; A10-S14 PolarHBondContact O-N 3.19Å; A10-S14 VanDerWaalsContact O-N 3.13Å; A10-S14 PolarHBondContact O-OG 3.05Å |
| 11 | A | 88.4 | Confident | 81.9 | Confident | 12 Ų | 12 | 76.8 Ų | 76.8 | 10% | 0.099 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D7 L8 G13 S14 T32 I36 | D7-A11 WeakPolarHBondContact O-CB 3.41Å; D7-A11 PolarHBondContact O-N 2.99Å; L8-A11 PolarHBondContact O-N 3.45Å; A11-G13 VanDerWaalsContact C-N 3.25Å; A11-G13 PolarHBondContact O-N 3Å; A11-S14 PolarHBondContact O-N 3.47Å; A11-S14 PolarHBondContact O-OG 2.92Å; A11-T32 HydrophobicContact CB-CG2 4Å; A11-T32 WeakPolarHBondContact O-CG2 3.33Å; A11-I36 HydrophobicContact CB-CD1 4.49Å; A11-I36 HydrophobicContact CB-CG1 4.12Å |
| 12 | V | 88.3 | Confident | 83.5 | Confident | 20 Ų | 20 | 77 Ų | 77 | 12% | 0.121 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.9 | -36.8 | 176 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | L8 S14 I36 C56 V58 | L8-V12 WeakPolarHBondContact O-CB 3.35Å; L8-V12 VanDerWaalsContact O-CG2 3.3Å; L8-V12 WeakPolarHBondContact O-CG2 3.18Å; L8-V12 PolarHBondContact O-N 3.3Å; V12-S14 VanDerWaalsContact C-N 3.3Å; V12-S14 PolarHBondContact O-N 2.95Å; V12-I36 HydrophobicContact CG2-CD1 4.42Å; V12-C56 HydrophobicContact CG1-CB 4.17Å; V12-V58 HydrophobicContact CB-CG2 4.35Å; V12-V58 HydrophobicContact CG1-CG2 3.61Å; V12-V58 HydrophobicContact CG2-CG2 3.73Å |
| 13 | G | 88.4 | Confident | 84.9 | Confident | 54 Ų | 54 | 70 Ų | 70 | 56% | 0.557 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -68.9 | -19.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q9 A10 A11 | Q9-G13 PolarHBondContact O-N 3.19Å; A10-G13 PolarHBondContact O-N 3.32Å; A11-G13 VanDerWaalsContact C-N 3.25Å; A11-G13 PolarHBondContact O-N 3Å |
| 14 | S | 90.2 | Very high | 86.3 | Confident | 30 Ų | 30 | 66.2 Ų | 66.2 | 21% | 0.21 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 22 | -177.3 | 62 | 0 | 0 | 0 | 0 | 114.4 | A10 A11 V12 E26 T32 | A10-S14 PolarHBondContact O-N 3.19Å; A10-S14 VanDerWaalsContact O-N 3.13Å; A10-S14 PolarHBondContact O-OG 3.05Å; A11-S14 PolarHBondContact O-N 3.47Å; A11-S14 PolarHBondContact O-OG 2.92Å; V12-S14 VanDerWaalsContact C-N 3.3Å; V12-S14 PolarHBondContact O-N 2.95Å; S14-E26 VanDerWaalsContact CA-OE2 3.25Å; S14-E26 WeakPolarHBondContact CA-OE2 3.19Å; S14-E26 WeakPolarHBondContact CB-OE2 3.34Å; S14-T32 WeakPolarHBondContact OG-CG2 3.38Å; S14-T32 PolarHBondContact OG-OG1 3.42Å |
| 15 | L | 92.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -80.9 | -42.6 | 172.1 | -68.2 | 175 | 0 | 0 | 0 | 111.9 | E26 C29 T32 L33 I36 V58 D62 | L15-E26 PolarHBondContact O-N 3.31Å; L15-E26 VanDerWaalsContact O-N 3.11Å; L15-C29 WeakPolarHBondContact O-CB 3.08Å; L15-C29 PolarHBondContact O-SG 3.48Å; L15-T32 HydrophobicContact CD2-CG2 3.65Å; L15-T32 HydrophobicContact CG-CG2 4.18Å; L15-L33 HydrophobicContact CD2-CD2 3.68Å; L15-L33 HydrophobicContact CD2-CG 3.72Å; L15-I36 HydrophobicContact CD1-CD1 4.03Å; L15-I36 HydrophobicContact CD2-CD1 4.12Å; L15-I36 HydrophobicContact CG-CD1 4.37Å; L15-V58 HydrophobicContact CD1-CG1 3.64Å; L15-D62 HydrophobicContact CB-CB 4.44Å; L15-D62 HydrophobicContact CD1-CB 3.95Å |
| 16 | G | 91.7 | Very high | 88.3 | Confident | 13 Ų | 13 | 67.5 Ų | 67.5 | 13% | 0.134 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.4 | -167.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y23 M24 | G16-Y23 VanDerWaalsContact CA-OH 3.27Å; G16-Y23 WeakPolarHBondContact CA-OH 3.47Å; G16-Y23 PolarHBondContact N-OH 3.19Å; G16-M24 CarbonylContact C-O 3.54Å; G16-M24 WeakPolarHBondContact CA-O 3.37Å |
| 17 | F | 91.6 | Very high | 88.6 | Confident | 122 Ų | 122 | 67.8 Ų | 67.8 | 54% | 0.535 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 157.5 | 177.6 | 60 | -86.4 | 0 | 0 | 0 | 111.6 | D19 M24 | F17-D19 HydrophobicContact CD2-CB 4.42Å; F17-D19 HydrophobicContact CE2-CB 4.12Å; F17-M24 HydrophobicContact CD2-CB 4.43Å; F17-M24 HydrophobicContact CE1-CB 4.18Å; F17-M24 HydrophobicContact CE2-CB 4.07Å; F17-M24 HydrophobicContact CE2-CG 4.29Å; F17-M24 HydrophobicContact CZ-CB 3.93Å; F17-M24 HydrophobicContact CZ-CG 4.42Å; F17-M24 PolarHBondContact N-O 3.31Å; F17-M24 PolarHBondContact O-N 2.96Å |
| 18 | L | 88.7 | Confident | 88.9 | Confident | 104 Ų | 104 | 68.8 Ų | 68.8 | 55% | 0.545 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 110.4 | 176.8 | -173.5 | 69 | 0 | 0 | 0 | 110.7 | ||
| 19 | D | 87.2 | Confident | 89.2 | Confident | 108 Ų | 108 | 68.8 Ų | 68.8 | 58% | 0.578 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 95.5 | 171.6 | -170.4 | 13 | 0 | 0 | 0 | 109.9 | F17 Q21 K22 M24 | F17-D19 HydrophobicContact CD2-CB 4.42Å; F17-D19 HydrophobicContact CE2-CB 4.12Å; D19-Q21 PolarHBondContact O-N 2.95Å; D19-K22 PolarHBondContact N-O 2.92Å; D19-K22 PolarHBondContact O-N 3.46Å; D19-M24 HydrophobicContact CB-CG 3.99Å |
| 20 | G | 83.3 | Confident | 89.5 | Confident | 56 Ų | 56 | 64.8 Ų | 64.8 | 58% | 0.577 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | -95.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 21 | Q | 80.1 | Confident | 89.7 | Confident | 153 Ų | 153 | 66.1 Ų | 66.1 | 72% | 0.715 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | -2.4 | 179.7 | -73.1 | -67.4 | -31.7 | 0 | 0 | 113.3 | D19 | D19-Q21 PolarHBondContact O-N 2.95Š|
| 22 | K | 85.1 | Confident | 89.9 | Confident | 123 Ų | 123 | 66 Ų | 66 | 54% | 0.535 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 128.6 | -177.8 | -174.4 | 179.2 | 178.2 | -175.7 | 0 | 109.7 | D19 M24 | D19-K22 PolarHBondContact N-O 2.92Å; D19-K22 PolarHBondContact O-N 3.46Å; K22-M24 HydrophobicContact CD-SD 4.22Å; K22-M24 HydrophobicContact CG-SD 4.47Å |
| 23 | Y | 91.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 133.1 | 171.2 | -166.4 | -89.6 | 0 | 0 | 0 | 109.8 | G16 K25 N61 D62 P65 I66 Y70 | G16-Y23 VanDerWaalsContact CA-OH 3.27Å; G16-Y23 WeakPolarHBondContact CA-OH 3.47Å; G16-Y23 PolarHBondContact N-OH 3.19Å; Y23-K25 HydrophobicContact CE1-CB 4.46Å; Y23-N61 WeakPolarHBondContact CE2-O 3.19Å; Y23-D62 HydrophobicContact CE2-CB 4.27Å; Y23-D62 WeakPolarHBondContact CE2-OD1 3.05Å; Y23-D62 WeakPolarHBondContact OH-CB 3.48Å; Y23-D62 PolarHBondContact OH-OD1 3.28Å; Y23-P65 HydrophobicContact CD2-CB 3.56Å; Y23-P65 HydrophobicContact CD2-CG 4.39Å; Y23-P65 HydrophobicContact CE2-CB 4.37Å; Y23-P65 HydrophobicContact CG-CB 3.85Å; Y23-I66 HydrophobicContact CD1-CD1 4.45Å; Y23-I66 HydrophobicContact CD1-CG1 3.55Å; Y23-I66 HydrophobicContact CE1-CD1 3.72Å; Y23-I66 HydrophobicContact CE1-CG1 3.31Å; Y23-I66 HydrophobicContact CG-CG1 4.32Å; Y23-Y70 HydrophobicContact CD1-CE2 4.31Å; Y23-Y70 WeakPolarHBondContact O-CE2 3.48Å; Y23-Y70 PolarHBondContact O-OH 3.29Å |
| 24 | M | 92.3 | Very high | 90.4 | Very high | 70 Ų | 70 | 66.4 Ų | 66.4 | 35% | 0.345 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 105.8 | 177.8 | -65.5 | -63 | -70.2 | 0 | 0 | 108.1 | G16 F17 D19 K22 | G16-M24 CarbonylContact C-O 3.54Å; G16-M24 WeakPolarHBondContact CA-O 3.37Å; F17-M24 HydrophobicContact CD2-CB 4.43Å; F17-M24 HydrophobicContact CE1-CB 4.18Å; F17-M24 HydrophobicContact CE2-CB 4.07Å; F17-M24 HydrophobicContact CE2-CG 4.29Å; F17-M24 HydrophobicContact CZ-CB 3.93Å; F17-M24 HydrophobicContact CZ-CG 4.42Å; F17-M24 PolarHBondContact N-O 3.31Å; F17-M24 PolarHBondContact O-N 2.96Å; D19-M24 HydrophobicContact CB-CG 3.99Å; K22-M24 HydrophobicContact CD-SD 4.22Å; K22-M24 HydrophobicContact CG-SD 4.47Å |
| 25 | K | 92.3 | Very high | 90.5 | Very high | 74 Ų | 74 | 69.1 Ų | 69.1 | 32% | 0.322 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 142.6 | 177.1 | 70.7 | 176.7 | -177.7 | 168.1 | 0 | 111.7 | Y23 C29 Y70 D73 L76 | Y23-K25 HydrophobicContact CE1-CB 4.46Å; K25-C29 HydrophobicContact CB-CB 4.07Å; K25-Y70 HydrophobicContact CB-CE2 4.08Å; K25-Y70 HydrophobicContact CD-CD1 4.16Å; K25-Y70 HydrophobicContact CD-CD2 4.36Å; K25-Y70 HydrophobicContact CD-CE1 4.04Å; K25-Y70 HydrophobicContact CD-CE2 4.27Å; K25-Y70 HydrophobicContact CD-CG 4.31Å; K25-Y70 HydrophobicContact CG-CE1 4.11Å; K25-Y70 HydrophobicContact CG-CE2 4.1Å; K25-Y70 PolarHBondContact N-OH 3.15Å; K25-D73 IonicContact NZ-OD2 3.12Å; K25-D73 PolarHBondContact NZ-OD2 2.74Å; K25-L76 HydrophobicContact CD-CD2 3.61Å |
| 26 | E | 92.8 | Very high | 90.5 | Very high | 76 Ų | 76 | 69.1 Ų | 69.1 | 36% | 0.355 | 36% | 0.361 | S | S | . | . | trans | -71.5 | 160.4 | 167.9 | -64 | -148.9 | 152.1 | 0 | 0 | 111.3 | S14 L15 D28 C29 | S14-E26 VanDerWaalsContact CA-OE2 3.25Å; S14-E26 WeakPolarHBondContact CA-OE2 3.19Å; S14-E26 WeakPolarHBondContact CB-OE2 3.34Å; L15-E26 PolarHBondContact O-N 3.31Å; L15-E26 VanDerWaalsContact O-N 3.11Å; E26-D28 VanDerWaalsContact C-N 3.3Å; E26-D28 PolarHBondContact O-N 3.41Å; E26-C29 WeakPolarHBondContact O-CB 3.19Å; E26-C29 PolarHBondContact O-N 2.91Å | ||
| 27 | P | 90 | Very high | 90.5 | Very high | 127 Ų | 127 | 69.5 Ų | 69.5 | 83% | 0.825 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -42 | -178.8 | -26.2 | 36 | 0 | 0 | 0 | 113.4 | ||
| 28 | D | 91.2 | Very high | 90.5 | Very high | 110 Ų | 110 | 69 Ų | 69 | 59% | 0.588 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 5.4 | -174.1 | -58.5 | -46.8 | 0 | 0 | 0 | 113.5 | E26 H30 E31 T32 | E26-D28 VanDerWaalsContact C-N 3.3Å; E26-D28 PolarHBondContact O-N 3.41Å; D28-H30 PolarHBondContact O-N 3.31Å; D28-E31 PolarHBondContact O-N 3.47Å; D28-T32 PolarHBondContact O-N 3.21Å; D28-T32 PolarHBondContact O-OG1 3.21Å |
| 29 | C | 92.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.007 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -45.4 | -39.6 | -176.4 | 178.4 | 0 | 0 | 0 | 0 | 114.1 | L15 K25 E26 L33 | L15-C29 WeakPolarHBondContact O-CB 3.08Å; L15-C29 PolarHBondContact O-SG 3.48Å; K25-C29 HydrophobicContact CB-CB 4.07Å; E26-C29 WeakPolarHBondContact O-CB 3.19Å; E26-C29 PolarHBondContact O-N 2.91Å; C29-L33 VanDerWaalsContact O-CG 3.26Å; C29-L33 WeakPolarHBondContact O-CG 3.45Å; C29-L33 PolarHBondContact O-N 3.34Å |
| 30 | H | 93 | Very high | 90.7 | Very high | 42 Ų | 42 | 61.7 Ų | 61.7 | 19% | 0.194 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70 | -36.4 | 178.8 | 179.2 | 69.4 | 0 | 0 | 0 | 113.6 | D28 K34 D75 L76 S79 | D28-H30 PolarHBondContact O-N 3.31Å; H30-K34 PolarHBondContact CD2-NZ 2.65Å; H30-K34 VanDerWaalsContact CD2-NZ 3.33Å; H30-K34 WeakPolarHBondContact NE2-CE 3.26Å; H30-K34 PolarHBondContact NE2-NZ 2.74Å; H30-K34 PolarHBondContact O-N 3.41Å; H30-D75 PolarHBondContact CE1-O 2.93Å; H30-D75 PolarHBondContact ND1-O 2.68Å; H30-L76 HydrophobicContact CB-CD1 4.26Å; H30-S79 PolarHBondContact CE1-OG 3.22Å |
| 31 | E | 92.7 | Very high | 91 | Very high | 94 Ų | 94 | 68 Ų | 68 | 44% | 0.439 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -74.1 | -42.7 | 174.4 | -59.5 | -49.9 | 123.2 | 0 | 0 | 110.5 | D28 L33 K34 D35 | D28-E31 PolarHBondContact O-N 3.47Å; E31-L33 PolarHBondContact O-N 3Å; E31-K34 VanDerWaalsContact CD-NZ 3.27Å; E31-K34 WeakPolarHBondContact O-CA 3.46Å; E31-K34 VanDerWaalsContact O-CB 3.31Å; E31-K34 WeakPolarHBondContact O-CB 3.45Å; E31-K34 PolarHBondContact O-N 3.2Å; E31-K34 IonicContact OE1-NZ 2.63Å; E31-K34 PolarHBondContact OE1-NZ 3.43Å; E31-K34 WeakPolarHBondContact OE2-CD 3.44Å; E31-K34 IonicContact OE2-NZ 2.68Å; E31-K34 PolarHBondContact OE2-NZ 2.99Å; E31-K34 VanDerWaalsContact OE2-NZ 3.12Å; E31-D35 PolarHBondContact O-N 2.99Å |
| 32 | T | 93.3 | Very high | 91.3 | Very high | 10 Ų | 10 | 69.2 Ų | 69.2 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -53.3 | -41 | 172.5 | -55.3 | 0 | 0 | 0 | 0 | 112.3 | A11 S14 L15 D28 D35 I36 | A11-T32 HydrophobicContact CB-CG2 4Å; A11-T32 WeakPolarHBondContact O-CG2 3.33Å; S14-T32 WeakPolarHBondContact OG-CG2 3.38Å; S14-T32 PolarHBondContact OG-OG1 3.42Å; L15-T32 HydrophobicContact CD2-CG2 3.65Å; L15-T32 HydrophobicContact CG-CG2 4.18Å; D28-T32 PolarHBondContact O-N 3.21Å; D28-T32 PolarHBondContact O-OG1 3.21Å; T32-D35 PolarHBondContact O-N 2.98Å; T32-I36 HydrophobicContact CG2-CD1 4.4Å; T32-I36 WeakPolarHBondContact O-CG1 3.3Å; T32-I36 PolarHBondContact O-N 2.9Å |
| 33 | L | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.3 | -34.5 | 174.1 | -74 | 168.7 | 0 | 0 | 0 | 113.2 | L15 C29 E31 I37 L63 L76 V80 L83 | L15-L33 HydrophobicContact CD2-CD2 3.68Å; L15-L33 HydrophobicContact CD2-CG 3.72Å; C29-L33 VanDerWaalsContact O-CG 3.26Å; C29-L33 WeakPolarHBondContact O-CG 3.45Å; C29-L33 PolarHBondContact O-N 3.34Å; E31-L33 PolarHBondContact O-N 3Å; L33-I37 WeakPolarHBondContact O-CD1 3.46Å; L33-I37 VanDerWaalsContact O-CG1 3.25Å; L33-I37 WeakPolarHBondContact O-CG1 3.42Å; L33-I37 PolarHBondContact O-N 2.88Å; L33-L63 HydrophobicContact CD2-CD2 3.59Å; L33-L76 HydrophobicContact CD1-CD1 3.47Å; L33-L76 VanDerWaalsContact CD1-CD1 3.47Å; L33-V80 HydrophobicContact CD1-CG2 3.7Å; L33-L83 HydrophobicContact CD2-CD2 3.61Å |
| 34 | K | 93.1 | Very high | 90.9 | Very high | 82 Ų | 82 | 67.9 Ų | 67.9 | 36% | 0.357 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 173 | -68.8 | 169.2 | -174.1 | 160.5 | 0 | 111.2 | H30 E31 I37 Y38 | H30-K34 PolarHBondContact CD2-NZ 2.65Å; H30-K34 VanDerWaalsContact CD2-NZ 3.33Å; H30-K34 WeakPolarHBondContact NE2-CE 3.26Å; H30-K34 PolarHBondContact NE2-NZ 2.74Å; H30-K34 PolarHBondContact O-N 3.41Å; E31-K34 VanDerWaalsContact CD-NZ 3.27Å; E31-K34 WeakPolarHBondContact O-CA 3.46Å; E31-K34 VanDerWaalsContact O-CB 3.31Å; E31-K34 WeakPolarHBondContact O-CB 3.45Å; E31-K34 PolarHBondContact O-N 3.2Å; E31-K34 IonicContact OE1-NZ 2.63Å; E31-K34 PolarHBondContact OE1-NZ 3.43Å; E31-K34 WeakPolarHBondContact OE2-CD 3.44Å; E31-K34 IonicContact OE2-NZ 2.68Å; E31-K34 PolarHBondContact OE2-NZ 2.99Å; E31-K34 VanDerWaalsContact OE2-NZ 3.12Å; K34-I37 PolarHBondContact O-N 3.44Å; K34-Y38 WeakPolarHBondContact O-CB 3.36Å; K34-Y38 PolarHBondContact O-N 2.62Å |
| 35 | D | 91.4 | Very high | 90.1 | Very high | 87 Ų | 87 | 69.2 Ų | 69.2 | 47% | 0.465 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 176.7 | -72.1 | -20.9 | 0 | 0 | 0 | 111.1 | E31 T32 I37 Y38 F39 | E31-D35 PolarHBondContact O-N 2.99Å; T32-D35 PolarHBondContact O-N 2.98Å; D35-I37 VanDerWaalsContact C-N 3.33Å; D35-I37 PolarHBondContact O-N 3.37Å; D35-Y38 CarbonylContact O-C 3.56Å; D35-Y38 WeakPolarHBondContact O-CA 3.4Å; D35-Y38 WeakPolarHBondContact O-CB 3.38Å; D35-Y38 PolarHBondContact O-N 2.96Å; D35-F39 HydrophobicContact CB-CE2 4.39Å; D35-F39 WeakPolarHBondContact O-CD2 3.34Å; D35-F39 PolarHBondContact O-N 3.17Å |
| 36 | I | 92.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59 | -42.9 | 173.5 | -65.7 | 168.3 | 0 | 0 | 0 | 111.4 | A11 V12 L15 T32 Y38 F39 L40 I53 L83 | A11-I36 HydrophobicContact CB-CD1 4.49Å; A11-I36 HydrophobicContact CB-CG1 4.12Å; V12-I36 HydrophobicContact CG2-CD1 4.42Å; L15-I36 HydrophobicContact CD1-CD1 4.03Å; L15-I36 HydrophobicContact CD2-CD1 4.12Å; L15-I36 HydrophobicContact CG-CD1 4.37Å; T32-I36 HydrophobicContact CG2-CD1 4.4Å; T32-I36 WeakPolarHBondContact O-CG1 3.3Å; T32-I36 PolarHBondContact O-N 2.9Å; I36-Y38 VanDerWaalsContact C-N 3.31Å; I36-Y38 PolarHBondContact O-N 2.93Å; I36-F39 PolarHBondContact O-N 3.2Å; I36-L40 HydrophobicContact CG2-CD1 4.16Å; I36-L40 WeakPolarHBondContact O-CG 3.35Å; I36-L40 PolarHBondContact O-N 3.19Å; I36-I53 HydrophobicContact CG2-CD1 3.81Å; I36-L83 HydrophobicContact CB-CD2 4.39Å; I36-L83 HydrophobicContact CG2-CD1 3.77Å; I36-L83 HydrophobicContact CG2-CD2 3.8Å; I36-L83 HydrophobicContact CG2-CG 4.48Å |
| 37 | I | 92.5 | Very high | 88.9 | Confident | 20 Ų | 20 | 66.7 Ų | 66.7 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.2 | -37 | 174.4 | -69.9 | 164.6 | 0 | 0 | 0 | 111.4 | L33 K34 D35 R41 K82 L83 | L33-I37 WeakPolarHBondContact O-CD1 3.46Å; L33-I37 VanDerWaalsContact O-CG1 3.25Å; L33-I37 WeakPolarHBondContact O-CG1 3.42Å; L33-I37 PolarHBondContact O-N 2.88Å; K34-I37 PolarHBondContact O-N 3.44Å; D35-I37 VanDerWaalsContact C-N 3.33Å; D35-I37 PolarHBondContact O-N 3.37Å; I37-R41 VanDerWaalsContact O-CG 3.3Å; I37-R41 WeakPolarHBondContact O-CG 3.42Å; I37-R41 PolarHBondContact O-N 2.78Å; I37-R41 VanDerWaalsContact O-N 3.1Å; I37-K82 HydrophobicContact CD1-CB 3.92Å; I37-K82 HydrophobicContact CD1-CD 4.28Å; I37-L83 HydrophobicContact CD1-CB 4.4Å; I37-L83 HydrophobicContact CG1-CB 4.19Å; I37-L83 HydrophobicContact CG1-CD1 4.21Å |
| 38 | Y | 91.3 | Very high | 88.7 | Confident | 111 Ų | 111 | 61.5 Ų | 61.5 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68.3 | -42.2 | 177.4 | 172.5 | -93.8 | 0 | 0 | 0 | 112.1 | K34 D35 I36 R41 R42 | K34-Y38 WeakPolarHBondContact O-CB 3.36Å; K34-Y38 PolarHBondContact O-N 2.62Å; D35-Y38 CarbonylContact O-C 3.56Å; D35-Y38 WeakPolarHBondContact O-CA 3.4Å; D35-Y38 WeakPolarHBondContact O-CB 3.38Å; D35-Y38 PolarHBondContact O-N 2.96Å; I36-Y38 VanDerWaalsContact C-N 3.31Å; I36-Y38 PolarHBondContact O-N 2.93Å; Y38-R41 PolarHBondContact O-N 3.08Å; Y38-R42 VanDerWaalsContact CZ-CZ 3.42Å; Y38-R42 PolarHBondContact O-N 3.39Å; Y38-R42 PolarHBondContact OH-NH1 3.34Å; Y38-R42 PolarHBondContact OH-NH2 3.25Å |
| 39 | F | 90.3 | Very high | 88.5 | Confident | 49 Ų | 49 | 56.4 Ų | 56.4 | 22% | 0.215 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60 | -47.7 | 172.1 | -73.2 | -66 | 0 | 0 | 0 | 111.4 | D7 L8 D35 I36 R41 R42 D43 | D7-F39 HydrophobicContact CB-CZ 4.05Å; L8-F39 HydrophobicContact CD2-CB 3.81Å; L8-F39 HydrophobicContact CD2-CD1 4.44Å; L8-F39 HydrophobicContact CD2-CD2 3.5Å; L8-F39 HydrophobicContact CD2-CE2 4.17Å; L8-F39 HydrophobicContact CD2-CG 3.68Å; L8-F39 HydrophobicContact CG-CD2 4.33Å; L8-F39 HydrophobicContact CG-CG 4.33Å; D35-F39 HydrophobicContact CB-CE2 4.39Å; D35-F39 WeakPolarHBondContact O-CD2 3.34Å; D35-F39 PolarHBondContact O-N 3.17Å; I36-F39 PolarHBondContact O-N 3.2Å; F39-R41 VanDerWaalsContact C-N 3.25Å; F39-R41 PolarHBondContact O-N 3.4Å; F39-R42 CarbonylContact O-C 3.52Å; F39-R42 VanDerWaalsContact O-C 3.3Å; F39-R42 PolarHBondContact O-N 3.05Å; F39-D43 PolarHBondContact O-N 2.71Å; F39-D43 VanDerWaalsContact O-N 3.07Å |
| 40 | L | 90 | Very high | 88.3 | Confident | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.2 | -23.1 | 178.6 | -73.9 | 167.8 | 0 | 0 | 0 | 114.3 | I36 R42 R50 I53 L83 L87 | I36-L40 HydrophobicContact CG2-CD1 4.16Å; I36-L40 WeakPolarHBondContact O-CG 3.35Å; I36-L40 PolarHBondContact O-N 3.19Å; L40-R42 VanDerWaalsContact C-N 3.3Å; L40-R50 HydrophobicContact CD2-CB 3.83Å; L40-R50 HydrophobicContact CD2-CG 4.46Å; L40-I53 HydrophobicContact CD1-CD1 4.07Å; L40-I53 HydrophobicContact CD2-CD1 3.82Å; L40-I53 HydrophobicContact CG-CD1 3.81Å; L40-L83 HydrophobicContact CD1-CD1 3.29Å; L40-L87 HydrophobicContact CD1-CD2 3.82Å; L40-L87 HydrophobicContact CD1-CG 4.32Å; L40-L87 HydrophobicContact CD2-CD2 4.23Å |
| 41 | R | 88.6 | Confident | 88 | Confident | 190 Ų | 190 | 56.9 Ų | 56.9 | 72% | 0.717 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -14.4 | 171.9 | -76.4 | 173.4 | 179.2 | -167.5 | -0 | 113.6 | I37 Y38 F39 | I37-R41 VanDerWaalsContact O-CG 3.3Å; I37-R41 WeakPolarHBondContact O-CG 3.42Å; I37-R41 PolarHBondContact O-N 2.78Å; I37-R41 VanDerWaalsContact O-N 3.1Å; Y38-R41 PolarHBondContact O-N 3.08Å; F39-R41 VanDerWaalsContact C-N 3.25Å; F39-R41 PolarHBondContact O-N 3.4Å |
| 42 | R | 86.1 | Confident | 87.9 | Confident | 178 Ų | 178 | 54.2 Ų | 54.2 | 67% | 0.672 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -123 | 23.7 | -179.4 | -61.7 | -175.1 | 176.4 | -159.2 | 4.2 | 111.5 | Y38 F39 L40 | Y38-R42 VanDerWaalsContact CZ-CZ 3.42Å; Y38-R42 PolarHBondContact O-N 3.39Å; Y38-R42 PolarHBondContact OH-NH1 3.34Å; Y38-R42 PolarHBondContact OH-NH2 3.25Å; F39-R42 CarbonylContact O-C 3.52Å; F39-R42 VanDerWaalsContact O-C 3.3Å; F39-R42 PolarHBondContact O-N 3.05Å; L40-R42 VanDerWaalsContact C-N 3.3Å |
| 43 | D | 84.7 | Confident | 87.7 | Confident | 35 Ų | 35 | 53.8 Ų | 53.8 | 19% | 0.187 | 25% | 0.246 | C | C | . | . | trans | -64.2 | 155.1 | 177 | -152.3 | -5.5 | 0 | 0 | 0 | 110.2 | F39 N47 T48 A49 R50 | F39-D43 PolarHBondContact O-N 2.71Å; F39-D43 VanDerWaalsContact O-N 3.07Å; D43-N47 VanDerWaalsContact OD1-C 3.32Å; D43-N47 WeakPolarHBondContact OD2-CA 3.23Å; D43-T48 PolarHBondContact OD1-N 3.29Å; D43-A49 HydrophobicContact CB-CB 4.42Å; D43-A49 WeakPolarHBondContact OD1-CB 3.35Å; D43-A49 PolarHBondContact OD1-N 3.05Å; D43-R50 WeakPolarHBondContact OD2-CB 3.33Å; D43-R50 PolarHBondContact OD2-N 3.5Å | ||
| 44 | D | 83.1 | Confident | 87.3 | Confident | 60 Ų | 60 | 54.9 Ų | 54.9 | 32% | 0.321 | 26% | 0.255 | S | S | . | . | trans | -83.4 | 174.5 | -179.8 | 59.9 | 25.8 | 0 | 0 | 0 | 112.5 | D46 N47 T48 | D44-D46 PolarHBondContact O-N 3.47Å; D44-D46 PolarHBondContact OD1-N 3.27Å; D44-N47 PolarHBondContact O-N 2.8Å; D44-N47 PolarHBondContact OD1-N 3.21Å; D44-T48 WeakPolarHBondContact OD1-CG2 3.33Å; D44-T48 PolarHBondContact OD1-N 3.44Å; D44-T48 PolarHBondContact OD1-OG1 3Å; D44-T48 WeakPolarHBondContact OD2-CB 3.36Å; D44-T48 WeakPolarHBondContact OD2-CG2 3.35Å; D44-T48 PolarHBondContact OD2-OG1 2.68Å | ||
| 45 | V | 77 | Confident | 87.1 | Confident | 97 Ų | 97 | 54.7 Ų | 54.7 | 59% | 0.588 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.7 | 178.9 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | N47 N98 | V45-N47 VanDerWaalsContact C-N 3.29Å; V45-N47 PolarHBondContact O-ND2 3.17Å; V45-N98 WeakPolarHBondContact CG1-OD1 3.15Å |
| 46 | D | 76.2 | Confident | 86.9 | Confident | 79 Ų | 79 | 52.4 Ų | 52.4 | 42% | 0.422 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -6.6 | 179.3 | -63.4 | -9 | 0 | 0 | 0 | 111.5 | D44 T48 K51 | D44-D46 PolarHBondContact O-N 3.47Å; D44-D46 PolarHBondContact OD1-N 3.27Å; D46-T48 HydrophobicContact CB-CG2 3.89Å; D46-K51 WeakPolarHBondContact O-CE 3.49Å; D46-K51 PolarHBondContact O-NZ 3.14Å |
| 47 | N | 83 | Confident | 86.8 | Confident | 18 Ų | 18 | 53.9 Ų | 53.9 | 10% | 0.096 | 26% | 0.262 | C | S | . | . | trans | 58.3 | 44.9 | -175.1 | -67.8 | -106.6 | 0 | 0 | 0 | 113.4 | D43 D44 V45 R50 K51 L112 | D43-N47 VanDerWaalsContact OD1-C 3.32Å; D43-N47 WeakPolarHBondContact OD2-CA 3.23Å; D44-N47 PolarHBondContact O-N 2.8Å; D44-N47 PolarHBondContact OD1-N 3.21Å; V45-N47 VanDerWaalsContact C-N 3.29Å; V45-N47 PolarHBondContact O-ND2 3.17Å; N47-R50 HydrophobicContact CB-CB 4.23Å; N47-R50 PolarHBondContact O-N 3.17Å; N47-R50 PolarHBondContact OD1-NE 3.01Å; N47-K51 WeakPolarHBondContact O-CB 3.34Å; N47-K51 VanDerWaalsContact O-CG 3.3Å; N47-K51 WeakPolarHBondContact O-CG 3.38Å; N47-K51 PolarHBondContact O-N 2.77Å; N47-L112 HydrophobicContact CB-CD1 4.14Å | ||
| 48 | T | 85.4 | Confident | 86.8 | Confident | 18 Ų | 18 | 53 Ų | 53 | 11% | 0.11 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.6 | -37.3 | -171.4 | 64.5 | 0 | 0 | 0 | 0 | 114.7 | M1 D43 D44 D46 K51 F52 | M1-T48 HydrophobicContact CE-CG2 3.5Å; M1-T48 VanDerWaalsContact CE-CG2 3.5Å; D43-T48 PolarHBondContact OD1-N 3.29Å; D44-T48 WeakPolarHBondContact OD1-CG2 3.33Å; D44-T48 PolarHBondContact OD1-N 3.44Å; D44-T48 PolarHBondContact OD1-OG1 3Å; D44-T48 WeakPolarHBondContact OD2-CB 3.36Å; D44-T48 WeakPolarHBondContact OD2-CG2 3.35Å; D44-T48 PolarHBondContact OD2-OG1 2.68Å; D46-T48 HydrophobicContact CB-CG2 3.89Å; T48-K51 PolarHBondContact O-N 3.34Å; T48-F52 PolarHBondContact O-N 3.16Å |
| 49 | A | 87.5 | Confident | 86.9 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64 | -45.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L8 D43 F52 I53 | L8-A49 HydrophobicContact CD1-CB 3.68Å; D43-A49 HydrophobicContact CB-CB 4.42Å; D43-A49 WeakPolarHBondContact OD1-CB 3.35Å; D43-A49 PolarHBondContact OD1-N 3.05Å; A49-F52 PolarHBondContact O-N 2.87Å; A49-I53 WeakPolarHBondContact O-CD1 3.34Å; A49-I53 VanDerWaalsContact O-CG1 3.3Å; A49-I53 WeakPolarHBondContact O-CG1 3.42Å; A49-I53 PolarHBondContact O-N 2.96Å |
| 50 | R | 89.5 | Confident | 87 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 5% | 0.049 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | 173.6 | -178.6 | -173.4 | -62.8 | -76.6 | -12.7 | 112.4 | L40 D43 N47 F52 I53 A54 N86 L112 | L40-R50 HydrophobicContact CD2-CB 3.83Å; L40-R50 HydrophobicContact CD2-CG 4.46Å; D43-R50 WeakPolarHBondContact OD2-CB 3.33Å; D43-R50 PolarHBondContact OD2-N 3.5Å; N47-R50 HydrophobicContact CB-CB 4.23Å; N47-R50 PolarHBondContact O-N 3.17Å; N47-R50 PolarHBondContact OD1-NE 3.01Å; R50-F52 VanDerWaalsContact C-N 3.3Å; R50-F52 PolarHBondContact O-N 3.01Å; R50-I53 PolarHBondContact O-N 2.93Å; R50-A54 WeakPolarHBondContact O-CB 3.4Å; R50-A54 PolarHBondContact O-N 3.06Å; R50-N86 PolarHBondContact NH1-O 2.66Å; R50-N86 PolarHBondContact NH1-OD1 3.02Å; R50-N86 PolarHBondContact NH2-OD1 2.96Å; R50-L112 HydrophobicContact CB-CD2 4.47Å; R50-L112 HydrophobicContact CG-CD2 3.76Å |
| 51 | K | 86.7 | Confident | 87.1 | Confident | 40 Ų | 40 | 50.2 Ų | 50.2 | 17% | 0.174 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.3 | -43 | 176.1 | -77.1 | 178 | -55.5 | -156.3 | 0 | 111 | D46 N47 T48 S55 E108 L112 | D46-K51 WeakPolarHBondContact O-CE 3.49Å; D46-K51 PolarHBondContact O-NZ 3.14Å; N47-K51 WeakPolarHBondContact O-CB 3.34Å; N47-K51 VanDerWaalsContact O-CG 3.3Å; N47-K51 WeakPolarHBondContact O-CG 3.38Å; N47-K51 PolarHBondContact O-N 2.77Å; T48-K51 PolarHBondContact O-N 3.34Å; K51-S55 WeakPolarHBondContact O-CB 3.48Å; K51-S55 PolarHBondContact O-N 3.28Å; K51-E108 IonicContact NZ-OE1 2.65Å; K51-E108 PolarHBondContact NZ-OE1 3.48Å; K51-L112 HydrophobicContact CG-CD2 3.65Å; K51-L112 HydrophobicContact CG-CG 4.06Å |
| 52 | F | 88.6 | Confident | 87.3 | Confident | 37 Ų | 37 | 41.9 Ų | 41.9 | 16% | 0.162 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.1 | -55.7 | 176.5 | -176.3 | -92.2 | 0 | 0 | 0 | 111.9 | N5 L8 Q9 T48 A49 R50 A54 S55 C56 | N5-F52 HydrophobicContact CB-CD2 4.25Å; N5-F52 HydrophobicContact CB-CE2 4.33Å; L8-F52 HydrophobicContact CB-CD1 3.65Å; L8-F52 HydrophobicContact CB-CE1 3.78Å; L8-F52 HydrophobicContact CD1-CB 4.47Å; L8-F52 HydrophobicContact CD1-CD1 4.21Å; Q9-F52 HydrophobicContact CB-CE1 4.19Å; Q9-F52 HydrophobicContact CB-CZ 3.7Å; Q9-F52 HydrophobicContact CG-CZ 4.18Å; T48-F52 PolarHBondContact O-N 3.16Å; A49-F52 PolarHBondContact O-N 2.87Å; R50-F52 VanDerWaalsContact C-N 3.3Å; R50-F52 PolarHBondContact O-N 3.01Å; F52-A54 VanDerWaalsContact C-N 3.29Å; F52-A54 PolarHBondContact O-N 2.86Å; F52-S55 WeakPolarHBondContact O-CB 3.44Å; F52-S55 PolarHBondContact O-N 2.98Å; F52-S55 PolarHBondContact O-OG 3.12Å; F52-C56 PolarHBondContact O-N 3.26Å; F52-C56 VanDerWaalsContact O-N 3.15Å |
| 53 | I | 89.9 | Confident | 87.8 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.4 | -41.8 | 179.7 | -66.4 | 158.8 | 0 | 0 | 0 | 111.3 | L8 I36 L40 A49 R50 C56 V58 L87 | L8-I53 HydrophobicContact CD2-CD1 4.04Å; L8-I53 HydrophobicContact CD2-CG1 4.26Å; I36-I53 HydrophobicContact CG2-CD1 3.81Å; L40-I53 HydrophobicContact CD1-CD1 4.07Å; L40-I53 HydrophobicContact CD2-CD1 3.82Å; L40-I53 HydrophobicContact CG-CD1 3.81Å; A49-I53 WeakPolarHBondContact O-CD1 3.34Å; A49-I53 VanDerWaalsContact O-CG1 3.3Å; A49-I53 WeakPolarHBondContact O-CG1 3.42Å; A49-I53 PolarHBondContact O-N 2.96Å; R50-I53 PolarHBondContact O-N 2.93Å; I53-C56 PolarHBondContact O-N 3.41Å; I53-V58 HydrophobicContact CG2-CB 4.17Å; I53-V58 HydrophobicContact CG2-CG2 3.95Å; I53-V58 WeakPolarHBondContact O-CG2 3.4Å; I53-L87 HydrophobicContact CG2-CD1 3.9Å; I53-L87 HydrophobicContact CG2-CD2 3.91Å |
| 54 | A | 86.9 | Confident | 88.2 | Confident | 24 Ų | 24 | 32 Ų | 32 | 20% | 0.198 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.1 | -36.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R50 F52 C56 N57 C115 | R50-A54 WeakPolarHBondContact O-CB 3.4Å; R50-A54 PolarHBondContact O-N 3.06Å; F52-A54 VanDerWaalsContact C-N 3.29Å; F52-A54 PolarHBondContact O-N 2.86Å; A54-C56 VanDerWaalsContact C-N 3.29Å; A54-C56 PolarHBondContact O-N 3.24Å; A54-N57 PolarHBondContact O-N 2.87Å; A54-N57 VanDerWaalsContact O-N 3.12Å; A54-C115 HydrophobicContact CB-CB 3.63Å |
| 55 | S | 87.3 | Confident | 88.7 | Confident | 77 Ų | 77 | 30.1 Ų | 30.1 | 54% | 0.538 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.9 | -29.5 | 175.6 | 78 | 0 | 0 | 0 | 0 | 113.4 | K51 F52 N57 | K51-S55 WeakPolarHBondContact O-CB 3.48Å; K51-S55 PolarHBondContact O-N 3.28Å; F52-S55 WeakPolarHBondContact O-CB 3.44Å; F52-S55 PolarHBondContact O-N 2.98Å; F52-S55 PolarHBondContact O-OG 3.12Å; S55-N57 VanDerWaalsContact C-N 3.26Å; S55-N57 PolarHBondContact O-N 3.38Å |
| 56 | C | 88.7 | Confident | 89.5 | Confident | 39 Ų | 39 | 25.6 Ų | 25.6 | 26% | 0.264 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -6.9 | 174 | -65.1 | 0 | 0 | 0 | 0 | 113.9 | V12 F52 I53 A54 V58 N61 | V12-C56 HydrophobicContact CG1-CB 4.17Å; F52-C56 PolarHBondContact O-N 3.26Å; F52-C56 VanDerWaalsContact O-N 3.15Å; I53-C56 PolarHBondContact O-N 3.41Å; A54-C56 VanDerWaalsContact C-N 3.29Å; A54-C56 PolarHBondContact O-N 3.24Å; C56-V58 HydrophobicContact CB-CG2 3.79Å; C56-V58 PolarHBondContact O-N 2.84Å; C56-N61 PolarHBondContact O-ND2 2.97Å |
| 57 | N | 90.4 | Very high | 90.4 | Very high | 31 Ų | 31 | 21.9 Ų | 21.9 | 17% | 0.166 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 35.8 | -176.3 | -170.1 | 53.5 | 0 | 0 | 0 | 114.3 | A54 S55 I59 G60 N61 S119 | A54-N57 PolarHBondContact O-N 2.87Å; A54-N57 VanDerWaalsContact O-N 3.12Å; S55-N57 VanDerWaalsContact C-N 3.26Å; S55-N57 PolarHBondContact O-N 3.38Å; N57-I59 PolarHBondContact O-N 3.33Å; N57-G60 PolarHBondContact O-N 3.35Å; N57-N61 PolarHBondContact ND2-OD1 3.05Å; N57-N61 PolarHBondContact O-N 3.35Å; N57-S119 WeakPolarHBondContact OD1-CA 3.31Å; N57-S119 VanDerWaalsContact OD1-CB 3.29Å; N57-S119 WeakPolarHBondContact OD1-CB 3.48Å |
| 58 | V | 92.4 | Very high | 91 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -54 | -31.9 | -177.1 | -174.1 | 0 | 0 | 0 | 0 | 112.4 | V12 L15 I53 C56 G60 D62 L63 | V12-V58 HydrophobicContact CB-CG2 4.35Å; V12-V58 HydrophobicContact CG1-CG2 3.61Å; V12-V58 HydrophobicContact CG2-CG2 3.73Å; L15-V58 HydrophobicContact CD1-CG1 3.64Å; I53-V58 HydrophobicContact CG2-CB 4.17Å; I53-V58 HydrophobicContact CG2-CG2 3.95Å; I53-V58 WeakPolarHBondContact O-CG2 3.4Å; C56-V58 HydrophobicContact CB-CG2 3.79Å; C56-V58 PolarHBondContact O-N 2.84Å; V58-G60 PolarHBondContact O-N 2.86Å; V58-D62 HydrophobicContact CG1-CB 4.14Å; V58-D62 WeakPolarHBondContact O-CA 3.41Å; V58-D62 WeakPolarHBondContact O-CB 3.36Å; V58-D62 PolarHBondContact O-N 3.34Å; V58-L63 HydrophobicContact CG1-CD2 4.27Å; V58-L63 HydrophobicContact CG1-CG 4.11Å; V58-L63 PolarHBondContact O-N 3.22Å |
| 59 | I | 93.3 | Very high | 91.3 | Very high | 10 Ų | 10 | 23.6 Ų | 23.6 | 5% | 0.051 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -52.1 | -54.2 | 172.3 | -65.6 | 173.4 | 0 | 0 | 0 | 111.8 | N57 L63 V64 L84 L87 F123 | N57-I59 PolarHBondContact O-N 3.33Å; I59-L63 HydrophobicContact CG1-CD1 4.46Å; I59-V64 HydrophobicContact CG2-CG2 4.31Å; I59-V64 WeakPolarHBondContact O-CB 2.91Å; I59-V64 WeakPolarHBondContact O-CG2 3.47Å; I59-V64 PolarHBondContact O-N 3.03Å; I59-L84 HydrophobicContact CG2-CD2 4.23Å; I59-L87 HydrophobicContact CD1-CB 3.98Å; I59-L87 HydrophobicContact CG1-CB 4.27Å; I59-L87 HydrophobicContact CG1-CD1 3.98Å; I59-F123 HydrophobicContact CD1-CZ 4.4Å; I59-F123 HydrophobicContact CG2-CD1 4.46Å; I59-F123 HydrophobicContact CG2-CE1 3.43Å; I59-F123 VanDerWaalsContact CG2-CE1 3.43Å; I59-F123 HydrophobicContact CG2-CE2 4.3Å; I59-F123 HydrophobicContact CG2-CZ 3.33Å |
| 60 | G | 92 | Very high | 91.6 | Very high | 19 Ų | 19 | 25.7 Ų | 25.7 | 20% | 0.196 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -86.8 | -28.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N57 V58 A122 | N57-G60 PolarHBondContact O-N 3.35Å; V58-G60 PolarHBondContact O-N 2.86Å; G60-A122 VanDerWaalsContact CA-CB 3.49Å |
| 61 | N | 91.6 | Very high | 91.7 | Very high | 83 Ų | 83 | 26.2 Ų | 26.2 | 44% | 0.444 | 16% | 0.155 | S | C | . | . | I | π-helix | trans | -80.5 | -35.9 | -178.9 | -61.9 | -4.7 | 0 | 0 | 0 | 111.9 | Y23 C56 N57 | Y23-N61 WeakPolarHBondContact CE2-O 3.19Å; C56-N61 PolarHBondContact O-ND2 2.97Å; N57-N61 PolarHBondContact ND2-OD1 3.05Å; N57-N61 PolarHBondContact O-N 3.35Å |
| 62 | D | 93.8 | Very high | 92 | Very high | 15 Ų | 15 | 31.2 Ų | 31.2 | 8% | 0.08 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -128.5 | -58.1 | -167.2 | -52.3 | -72.3 | 0 | 0 | 0 | 112.7 | L15 Y23 V58 V64 P65 I66 | L15-D62 HydrophobicContact CB-CB 4.44Å; L15-D62 HydrophobicContact CD1-CB 3.95Å; Y23-D62 HydrophobicContact CE2-CB 4.27Å; Y23-D62 WeakPolarHBondContact CE2-OD1 3.05Å; Y23-D62 WeakPolarHBondContact OH-CB 3.48Å; Y23-D62 PolarHBondContact OH-OD1 3.28Å; V58-D62 HydrophobicContact CG1-CB 4.14Å; V58-D62 WeakPolarHBondContact O-CA 3.41Å; V58-D62 WeakPolarHBondContact O-CB 3.36Å; V58-D62 PolarHBondContact O-N 3.34Å; D62-V64 PolarHBondContact O-N 3.38Å; D62-P65 WeakPolarHBondContact O-CD 3.33Å; D62-I66 HydrophobicContact CB-CD1 4.27Å; D62-I66 WeakPolarHBondContact O-CB 3.18Å; D62-I66 WeakPolarHBondContact O-CD1 3.35Å; D62-I66 WeakPolarHBondContact O-CG1 3.25Å; D62-I66 PolarHBondContact O-N 3.12Å |
| 63 | L | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -65.9 | -46.3 | -167.5 | -55.5 | -176.6 | 0 | 0 | 0 | 113.6 | L33 V58 I59 I66 A67 V80 L83 L84 L87 | L33-L63 HydrophobicContact CD2-CD2 3.59Å; V58-L63 HydrophobicContact CG1-CD2 4.27Å; V58-L63 HydrophobicContact CG1-CG 4.11Å; V58-L63 PolarHBondContact O-N 3.22Å; I59-L63 HydrophobicContact CG1-CD1 4.46Å; L63-I66 PolarHBondContact O-N 2.99Å; L63-A67 WeakPolarHBondContact O-CB 3.4Å; L63-A67 PolarHBondContact O-N 3.21Å; L63-V80 HydrophobicContact CB-CG1 4.18Å; L63-V80 WeakPolarHBondContact O-CG1 3.26Å; L63-L83 HydrophobicContact CD1-CB 4.3Å; L63-L83 HydrophobicContact CD1-CD2 3.72Å; L63-L83 HydrophobicContact CD1-CG 3.71Å; L63-L83 HydrophobicContact CD2-CD2 3.74Å; L63-L83 HydrophobicContact CG-CD2 4.38Å; L63-L84 HydrophobicContact CB-CD2 3.82Å; L63-L84 HydrophobicContact CB-CG 4.25Å; L63-L84 HydrophobicContact CD1-CD2 4Å; L63-L84 HydrophobicContact CD1-CG 4.37Å; L63-L87 HydrophobicContact CD1-CD1 3.85Å |
| 64 | V | 94.2 | Very high | 92.3 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.1 | -47.5 | 176.3 | 169.6 | 0 | 0 | 0 | 0 | 111 | I59 D62 I66 A67 I68 A122 F123 L128 | I59-V64 HydrophobicContact CG2-CG2 4.31Å; I59-V64 WeakPolarHBondContact O-CB 2.91Å; I59-V64 WeakPolarHBondContact O-CG2 3.47Å; I59-V64 PolarHBondContact O-N 3.03Å; D62-V64 PolarHBondContact O-N 3.38Å; V64-I66 PolarHBondContact O-N 2.73Å; V64-A67 PolarHBondContact O-N 3.05Å; V64-I68 HydrophobicContact CG1-CD1 3.78Å; V64-I68 WeakPolarHBondContact O-CG1 3.47Å; V64-I68 PolarHBondContact O-N 2.97Å; V64-A122 HydrophobicContact CG2-CB 4.36Å; V64-F123 HydrophobicContact CG2-CD1 3.93Å; V64-F123 HydrophobicContact CG2-CE1 3.92Å; V64-L128 HydrophobicContact CG1-CD2 4.17Å; V64-L128 HydrophobicContact CG2-CD2 4.13Å |
| 65 | P | 93.8 | Very high | 92.5 | Very high | 22 Ų | 22 | 39.6 Ų | 39.6 | 14% | 0.143 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.7 | -42.1 | 171 | -30.6 | 37.5 | 0 | 0 | 0 | 115.1 | Y23 D62 I68 C69 | Y23-P65 HydrophobicContact CD2-CB 3.56Å; Y23-P65 HydrophobicContact CD2-CG 4.39Å; Y23-P65 HydrophobicContact CE2-CB 4.37Å; Y23-P65 HydrophobicContact CG-CB 3.85Å; D62-P65 WeakPolarHBondContact O-CD 3.33Å; P65-I68 PolarHBondContact O-N 2.91Å; P65-C69 VanDerWaalsContact O-CB 3.31Å; P65-C69 WeakPolarHBondContact O-CB 3.42Å; P65-C69 PolarHBondContact O-N 3.42Å; P65-C69 PolarHBondContact O-SG 3.34Å |
| 66 | I | 94.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.5 | -46.2 | 176.9 | -66.2 | 161.3 | 0 | 0 | 0 | 110.4 | Y23 D62 L63 V64 I68 C69 Y70 L76 V80 | Y23-I66 HydrophobicContact CD1-CD1 4.45Å; Y23-I66 HydrophobicContact CD1-CG1 3.55Å; Y23-I66 HydrophobicContact CE1-CD1 3.72Å; Y23-I66 HydrophobicContact CE1-CG1 3.31Å; Y23-I66 HydrophobicContact CG-CG1 4.32Å; D62-I66 HydrophobicContact CB-CD1 4.27Å; D62-I66 WeakPolarHBondContact O-CB 3.18Å; D62-I66 WeakPolarHBondContact O-CD1 3.35Å; D62-I66 WeakPolarHBondContact O-CG1 3.25Å; D62-I66 PolarHBondContact O-N 3.12Å; L63-I66 PolarHBondContact O-N 2.99Å; V64-I66 PolarHBondContact O-N 2.73Å; I66-I68 PolarHBondContact O-N 3.39Å; I66-C69 PolarHBondContact O-N 3.19Å; I66-Y70 HydrophobicContact CG2-CD2 4.27Å; I66-Y70 PolarHBondContact O-N 3.14Å; I66-L76 HydrophobicContact CG2-CD1 4.21Å; I66-L76 HydrophobicContact CG2-CD2 3.9Å; I66-L76 HydrophobicContact CG2-CG 3.97Å; I66-V80 HydrophobicContact CB-CG2 4.28Å; I66-V80 HydrophobicContact CG2-CG2 3.73Å |
| 67 | A | 94.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.3 | -34.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L63 V64 F77 V80 L128 | L63-A67 WeakPolarHBondContact O-CB 3.4Å; L63-A67 PolarHBondContact O-N 3.21Å; V64-A67 PolarHBondContact O-N 3.05Å; A67-F77 HydrophobicContact CB-CE2 4.28Å; A67-V80 HydrophobicContact CB-CG1 4.03Å; A67-L128 HydrophobicContact CB-CD1 4.01Å |
| 68 | I | 94.4 | Very high | 93.3 | Very high | 28 Ų | 28 | 34.6 Ų | 34.6 | 14% | 0.144 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -77.6 | -41.4 | 176.8 | -66.9 | 165.1 | 0 | 0 | 0 | 111.9 | V64 P65 I66 D125 R127 L128 | V64-I68 HydrophobicContact CG1-CD1 3.78Å; V64-I68 WeakPolarHBondContact O-CG1 3.47Å; V64-I68 PolarHBondContact O-N 2.97Å; P65-I68 PolarHBondContact O-N 2.91Å; I66-I68 PolarHBondContact O-N 3.39Å; I68-D125 HydrophobicContact CD1-CB 4.38Å; I68-R127 HydrophobicContact CD1-CB 4.13Å; I68-R127 HydrophobicContact CG1-CB 4.2Å; I68-R127 HydrophobicContact CG2-CB 3.91Å; I68-L128 HydrophobicContact CD1-CB 4.25Å; I68-L128 HydrophobicContact CG1-CB 4.26Å |
| 69 | C | 92.6 | Very high | 93.4 | Very high | 45 Ų | 45 | 34.8 Ų | 34.8 | 30% | 0.304 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -86.2 | -25.3 | -171.6 | -64.5 | 0 | 0 | 0 | 0 | 114.3 | P65 I66 | P65-C69 VanDerWaalsContact O-CB 3.31Å; P65-C69 WeakPolarHBondContact O-CB 3.42Å; P65-C69 PolarHBondContact O-N 3.42Å; P65-C69 PolarHBondContact O-SG 3.34Å; I66-C69 PolarHBondContact O-N 3.19Å |
| 70 | Y | 93.7 | Very high | 93.6 | Very high | 48 Ų | 48 | 34.3 Ų | 34.3 | 19% | 0.188 | 20% | 0.195 | C | C | . | . | trans | -128.4 | 48.7 | -175.2 | -57.5 | -83.2 | 0 | 0 | 0 | 113.5 | Y23 K25 I66 D72 D73 L76 | Y23-Y70 HydrophobicContact CD1-CE2 4.31Å; Y23-Y70 WeakPolarHBondContact O-CE2 3.48Å; Y23-Y70 PolarHBondContact O-OH 3.29Å; K25-Y70 HydrophobicContact CB-CE2 4.08Å; K25-Y70 HydrophobicContact CD-CD1 4.16Å; K25-Y70 HydrophobicContact CD-CD2 4.36Å; K25-Y70 HydrophobicContact CD-CE1 4.04Å; K25-Y70 HydrophobicContact CD-CE2 4.27Å; K25-Y70 HydrophobicContact CD-CG 4.31Å; K25-Y70 HydrophobicContact CG-CE1 4.11Å; K25-Y70 HydrophobicContact CG-CE2 4.1Å; K25-Y70 PolarHBondContact N-OH 3.15Å; I66-Y70 HydrophobicContact CG2-CD2 4.27Å; I66-Y70 PolarHBondContact O-N 3.14Å; Y70-D72 PolarHBondContact O-N 3.44Å; Y70-D73 PolarHBondContact O-N 3.4Å; Y70-L76 HydrophobicContact CG-CD2 4.31Å | ||
| 71 | P | 91.8 | Very high | 93.8 | Very high | 23 Ų | 23 | 33.4 Ų | 33.4 | 15% | 0.149 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -20.8 | -179.3 | 32 | -37.8 | 0 | 0 | 0 | 113.1 | D73 V131 K135 | P71-D73 VanDerWaalsContact C-N 3.33Å; P71-V131 HydrophobicContact CB-CG1 3.7Å; P71-V131 HydrophobicContact CB-CG2 4.28Å; P71-V131 HydrophobicContact CG-CG2 4.49Å; P71-K135 WeakPolarHBondContact O-CE 3.21Å; P71-K135 PolarHBondContact O-NZ 3.06Å |
| 72 | D | 92.3 | Very high | 93.9 | Very high | 146 Ų | 146 | 32.8 Ų | 32.8 | 78% | 0.781 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -10.6 | -176 | -60.1 | -40.5 | 0 | 0 | 0 | 113.8 | Y70 P74 | Y70-D72 PolarHBondContact O-N 3.44Å; D72-P74 VanDerWaalsContact O-CD 3.29Å; D72-P74 WeakPolarHBondContact O-CD 3.31Å |
| 73 | D | 93.3 | Very high | 93.9 | Very high | 46 Ų | 46 | 32 Ų | 32 | 25% | 0.246 | 18% | 0.175 | C | C | . | . | trans | -92.4 | 98.3 | 176.7 | -175.3 | -23.1 | 0 | 0 | 0 | 108.5 | K25 Y70 P71 D75 L76 F77 | K25-D73 IonicContact NZ-OD2 3.12Å; K25-D73 PolarHBondContact NZ-OD2 2.74Å; Y70-D73 PolarHBondContact O-N 3.4Å; P71-D73 VanDerWaalsContact C-N 3.33Å; D73-D75 PolarHBondContact O-N 3.08Å; D73-L76 HydrophobicContact CB-CB 3.94Å; D73-L76 HydrophobicContact CB-CD2 4.46Å; D73-L76 VanDerWaalsContact OD1-CB 3.29Å; D73-L76 WeakPolarHBondContact OD1-CB 3.38Å; D73-L76 PolarHBondContact OD1-N 3.29Å; D73-L76 WeakPolarHBondContact OD2-CB 3.45Å; D73-F77 VanDerWaalsContact O-CB 3.25Å; D73-F77 WeakPolarHBondContact O-CB 3.5Å; D73-F77 PolarHBondContact O-N 2.82Å | ||
| 74 | P | 91 | Very high | 94 | Very high | 85 Ų | 85 | 32 Ų | 32 | 55% | 0.552 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -68.2 | -39 | -166.8 | 28 | -34.7 | 0 | 0 | 0 | 112.2 | D72 D78 | D72-P74 VanDerWaalsContact O-CD 3.29Å; D72-P74 WeakPolarHBondContact O-CD 3.31Å; P74-D78 VanDerWaalsContact O-CB 3.3Å; P74-D78 WeakPolarHBondContact O-CB 3.39Å; P74-D78 PolarHBondContact O-N 2.96Å |
| 75 | D | 92.8 | Very high | 94 | Very high | 106 Ų | 106 | 33 Ų | 33 | 57% | 0.567 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -70.6 | -42.1 | -179.1 | -64.2 | -57.4 | 0 | 0 | 0 | 111 | H30 D73 D78 S79 | H30-D75 PolarHBondContact CE1-O 2.93Å; H30-D75 PolarHBondContact ND1-O 2.68Å; D73-D75 PolarHBondContact O-N 3.08Å; D75-D78 PolarHBondContact O-N 2.64Å; D75-S79 PolarHBondContact O-N 3.35Å; D75-S79 PolarHBondContact O-OG 3.44Å |
| 76 | L | 94.5 | Very high | 94 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.6 | -48.2 | 173.1 | -178.4 | 58.3 | 0 | 0 | 0 | 111.5 | K25 H30 L33 I66 Y70 D73 D78 S79 V80 | K25-L76 HydrophobicContact CD-CD2 3.61Å; H30-L76 HydrophobicContact CB-CD1 4.26Å; L33-L76 HydrophobicContact CD1-CD1 3.47Å; L33-L76 VanDerWaalsContact CD1-CD1 3.47Å; I66-L76 HydrophobicContact CG2-CD1 4.21Å; I66-L76 HydrophobicContact CG2-CD2 3.9Å; I66-L76 HydrophobicContact CG2-CG 3.97Å; Y70-L76 HydrophobicContact CG-CD2 4.31Å; D73-L76 HydrophobicContact CB-CB 3.94Å; D73-L76 HydrophobicContact CB-CD2 4.46Å; D73-L76 VanDerWaalsContact OD1-CB 3.29Å; D73-L76 WeakPolarHBondContact OD1-CB 3.38Å; D73-L76 PolarHBondContact OD1-N 3.29Å; D73-L76 WeakPolarHBondContact OD2-CB 3.45Å; L76-D78 VanDerWaalsContact C-N 3.29Å; L76-D78 PolarHBondContact O-N 3.33Å; L76-S79 PolarHBondContact O-N 3.41Å; L76-V80 HydrophobicContact CD1-CG2 4.39Å; L76-V80 WeakPolarHBondContact O-CG2 3.39Å; L76-V80 PolarHBondContact O-N 3.21Å |
| 77 | F | 94.8 | Very high | 93.9 | Very high | 7 Ų | 7 | 34.8 Ų | 34.8 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.2 | -39.9 | 178.4 | -171.2 | -97 | 0 | 0 | 0 | 111.7 | A67 D73 V80 M81 V131 L132 K135 L154 | A67-F77 HydrophobicContact CB-CE2 4.28Å; D73-F77 VanDerWaalsContact O-CB 3.25Å; D73-F77 WeakPolarHBondContact O-CB 3.5Å; D73-F77 PolarHBondContact O-N 2.82Å; F77-V80 PolarHBondContact O-N 2.87Å; F77-M81 HydrophobicContact CD1-CG 3.95Å; F77-M81 HydrophobicContact CE1-CG 3.58Å; F77-M81 HydrophobicContact CE1-SD 4.33Å; F77-M81 HydrophobicContact CZ-CG 3.91Å; F77-M81 HydrophobicContact CZ-SD 4.09Å; F77-M81 WeakPolarHBondContact O-CB 3.28Å; F77-M81 WeakPolarHBondContact O-CG 3.47Å; F77-M81 PolarHBondContact O-N 3.08Å; F77-V131 HydrophobicContact CE2-CG1 3.72Å; F77-V131 HydrophobicContact CZ-CG1 4.11Å; F77-L132 HydrophobicContact CZ-CD2 4.23Å; F77-K135 HydrophobicContact CE1-CG 4.29Å; F77-K135 HydrophobicContact CZ-CG 4.33Å; F77-L154 HydrophobicContact CD1-CD1 4.35Å; F77-L154 HydrophobicContact CE1-CD1 4.14Å |
| 78 | D | 93.9 | Very high | 93.8 | Very high | 35 Ų | 35 | 34.8 Ų | 34.8 | 19% | 0.187 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.1 | -40.9 | 177.8 | -164.4 | 61.4 | 0 | 0 | 0 | 112.8 | P74 D75 L76 M81 K82 R157 | P74-D78 VanDerWaalsContact O-CB 3.3Å; P74-D78 WeakPolarHBondContact O-CB 3.39Å; P74-D78 PolarHBondContact O-N 2.96Å; D75-D78 PolarHBondContact O-N 2.64Å; L76-D78 VanDerWaalsContact C-N 3.29Å; L76-D78 PolarHBondContact O-N 3.33Å; D78-M81 PolarHBondContact O-N 3.26Å; D78-K82 WeakPolarHBondContact O-CB 3.33Å; D78-K82 WeakPolarHBondContact O-CD 3.5Å; D78-K82 VanDerWaalsContact O-CG 3.26Å; D78-K82 WeakPolarHBondContact O-CG 3.1Å; D78-K82 PolarHBondContact O-N 3.25Å; D78-K82 WeakPolarHBondContact OD2-CE 3.37Å; D78-K82 IonicContact OD2-NZ 3.58Å; D78-K82 PolarHBondContact OD2-NZ 3.43Å; D78-R157 IonicContact OD1-CZ 3.57Å; D78-R157 IonicContact OD1-NH1 1.79Å; D78-R157 PolarHBondContact OD1-NH1 3.02Å; D78-R157 IonicContact OD2-CZ 3.78Å; D78-R157 IonicContact OD2-NH1 3.61Å; D78-R157 PolarHBondContact OD2-NH1 2.62Å |
| 79 | S | 94.7 | Very high | 93.6 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.028 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.9 | -42.9 | 171.4 | -77.3 | 0 | 0 | 0 | 0 | 112.4 | H30 D75 L76 K82 L83 | H30-S79 PolarHBondContact CE1-OG 3.22Å; D75-S79 PolarHBondContact O-N 3.35Å; D75-S79 PolarHBondContact O-OG 3.44Å; L76-S79 PolarHBondContact O-N 3.41Å; S79-K82 PolarHBondContact O-N 3.13Å; S79-L83 WeakPolarHBondContact O-CB 3.26Å; S79-L83 PolarHBondContact O-N 3.14Å |
| 80 | V | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -45.6 | 175.5 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L33 L63 I66 A67 L76 F77 K82 L83 L84 | L33-V80 HydrophobicContact CD1-CG2 3.7Å; L63-V80 HydrophobicContact CB-CG1 4.18Å; L63-V80 WeakPolarHBondContact O-CG1 3.26Å; I66-V80 HydrophobicContact CB-CG2 4.28Å; I66-V80 HydrophobicContact CG2-CG2 3.73Å; A67-V80 HydrophobicContact CB-CG1 4.03Å; L76-V80 HydrophobicContact CD1-CG2 4.39Å; L76-V80 WeakPolarHBondContact O-CG2 3.39Å; L76-V80 PolarHBondContact O-N 3.21Å; F77-V80 PolarHBondContact O-N 2.87Å; V80-K82 PolarHBondContact O-N 2.93Å; V80-L83 PolarHBondContact O-N 3.21Å; V80-L84 HydrophobicContact CG1-CD1 3.9Å; V80-L84 HydrophobicContact CG1-CG 4.24Å; V80-L84 WeakPolarHBondContact O-CB 3.27Å; V80-L84 WeakPolarHBondContact O-CG 3.32Å; V80-L84 PolarHBondContact O-N 2.97Å |
| 81 | M | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.3 | -38.5 | 178.1 | -73.7 | -56.1 | -53.7 | 0 | 0 | 112.9 | F77 D78 L83 L84 V85 L132 I158 F161 | F77-M81 HydrophobicContact CD1-CG 3.95Å; F77-M81 HydrophobicContact CE1-CG 3.58Å; F77-M81 HydrophobicContact CE1-SD 4.33Å; F77-M81 HydrophobicContact CZ-CG 3.91Å; F77-M81 HydrophobicContact CZ-SD 4.09Å; F77-M81 WeakPolarHBondContact O-CB 3.28Å; F77-M81 WeakPolarHBondContact O-CG 3.47Å; F77-M81 PolarHBondContact O-N 3.08Å; D78-M81 PolarHBondContact O-N 3.26Å; M81-L83 VanDerWaalsContact C-N 3.32Å; M81-L83 PolarHBondContact O-N 3.47Å; M81-L84 HydrophobicContact SD-CD1 4.1Å; M81-V85 VanDerWaalsContact O-CG2 3.31Å; M81-V85 WeakPolarHBondContact O-CG2 3.33Å; M81-V85 PolarHBondContact O-N 3.38Å; M81-V85 VanDerWaalsContact O-N 3.09Å; M81-L132 HydrophobicContact CE-CD2 4.12Å; M81-L132 HydrophobicContact SD-CD2 3.88Å; M81-I158 HydrophobicContact CE-CG1 4.05Å; M81-F161 HydrophobicContact CE-CB 3.98Å; M81-F161 HydrophobicContact CE-CD1 4.23Å; M81-F161 HydrophobicContact CE-CG 4.16Å |
| 82 | K | 94.9 | Very high | 92.3 | Very high | 70 Ų | 70 | 38.9 Ų | 38.9 | 30% | 0.304 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -56.8 | -46.7 | 170.7 | -78.1 | 161.2 | 174.4 | 143.4 | 0 | 111.3 | I37 D78 S79 V80 N86 R157 | I37-K82 HydrophobicContact CD1-CB 3.92Å; I37-K82 HydrophobicContact CD1-CD 4.28Å; D78-K82 WeakPolarHBondContact O-CB 3.33Å; D78-K82 WeakPolarHBondContact O-CD 3.5Å; D78-K82 VanDerWaalsContact O-CG 3.26Å; D78-K82 WeakPolarHBondContact O-CG 3.1Å; D78-K82 PolarHBondContact O-N 3.25Å; D78-K82 WeakPolarHBondContact OD2-CE 3.37Å; D78-K82 IonicContact OD2-NZ 3.58Å; D78-K82 PolarHBondContact OD2-NZ 3.43Å; S79-K82 PolarHBondContact O-N 3.13Å; V80-K82 PolarHBondContact O-N 2.93Å; K82-N86 WeakPolarHBondContact O-CB 3.29Å; K82-N86 PolarHBondContact O-N 3.01Å; K82-N86 VanDerWaalsContact O-N 3.13Å; K82-R157 VanDerWaalsContact CG-CZ 3.49Å |
| 83 | L | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -72.7 | -39.9 | -176.1 | -175 | 56.8 | 0 | 0 | 0 | 112 | L33 I36 I37 L40 L63 S79 V80 M81 N86 L87 | L33-L83 HydrophobicContact CD2-CD2 3.61Å; I36-L83 HydrophobicContact CB-CD2 4.39Å; I36-L83 HydrophobicContact CG2-CD1 3.77Å; I36-L83 HydrophobicContact CG2-CD2 3.8Å; I36-L83 HydrophobicContact CG2-CG 4.48Å; I37-L83 HydrophobicContact CD1-CB 4.4Å; I37-L83 HydrophobicContact CG1-CB 4.19Å; I37-L83 HydrophobicContact CG1-CD1 4.21Å; L40-L83 HydrophobicContact CD1-CD1 3.29Å; L63-L83 HydrophobicContact CD1-CB 4.3Å; L63-L83 HydrophobicContact CD1-CD2 3.72Å; L63-L83 HydrophobicContact CD1-CG 3.71Å; L63-L83 HydrophobicContact CD2-CD2 3.74Å; L63-L83 HydrophobicContact CG-CD2 4.38Å; S79-L83 WeakPolarHBondContact O-CB 3.26Å; S79-L83 PolarHBondContact O-N 3.14Å; V80-L83 PolarHBondContact O-N 3.21Å; M81-L83 VanDerWaalsContact C-N 3.32Å; M81-L83 PolarHBondContact O-N 3.47Å; L83-N86 PolarHBondContact O-N 3.31Å; L83-L87 HydrophobicContact CD1-CD1 3.89Å; L83-L87 HydrophobicContact CD1-CG 3.94Å; L83-L87 HydrophobicContact CG-CD1 3.88Å; L83-L87 HydrophobicContact CG-CG 4.33Å; L83-L87 WeakPolarHBondContact O-CB 3.33Å; L83-L87 WeakPolarHBondContact O-CG 3.49Å; L83-L87 PolarHBondContact O-N 3.39Å |
| 84 | L | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.9 | -55.4 | 172.7 | -75.4 | 174.3 | 0 | 0 | 0 | 111.1 | I59 L63 V80 M81 N86 L87 T88 F123 F161 | I59-L84 HydrophobicContact CG2-CD2 4.23Å; L63-L84 HydrophobicContact CB-CD2 3.82Å; L63-L84 HydrophobicContact CB-CG 4.25Å; L63-L84 HydrophobicContact CD1-CD2 4Å; L63-L84 HydrophobicContact CD1-CG 4.37Å; V80-L84 HydrophobicContact CG1-CD1 3.9Å; V80-L84 HydrophobicContact CG1-CG 4.24Å; V80-L84 WeakPolarHBondContact O-CB 3.27Å; V80-L84 WeakPolarHBondContact O-CG 3.32Å; V80-L84 PolarHBondContact O-N 2.97Å; M81-L84 HydrophobicContact SD-CD1 4.1Å; L84-N86 PolarHBondContact O-N 3.38Å; L84-L87 PolarHBondContact O-N 2.77Å; L84-L87 VanDerWaalsContact O-N 3.11Å; L84-T88 PolarHBondContact O-N 3.2Å; L84-T88 PolarHBondContact O-OG1 3.33Å; L84-F123 HydrophobicContact CD2-CE1 4.19Å; L84-F161 HydrophobicContact CB-CD2 3.88Å; L84-F161 HydrophobicContact CB-CE2 3.88Å; L84-F161 HydrophobicContact CD1-CE2 4.17Å; L84-F161 HydrophobicContact CD1-CZ 4.25Å; L84-F161 HydrophobicContact CD2-CE2 4.16Å; L84-F161 HydrophobicContact CG-CE2 4.3Å |
| 85 | V | 94.7 | Very high | 90.1 | Very high | 26 Ų | 26 | 32 Ų | 32 | 16% | 0.158 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.3 | -33 | 178.5 | 172.7 | 0 | 0 | 0 | 0 | 112.8 | M81 R157 T160 F161 Q164 | M81-V85 VanDerWaalsContact O-CG2 3.31Å; M81-V85 WeakPolarHBondContact O-CG2 3.33Å; M81-V85 PolarHBondContact O-N 3.38Å; M81-V85 VanDerWaalsContact O-N 3.09Å; V85-R157 HydrophobicContact CG2-CB 4.13Å; V85-R157 HydrophobicContact CG2-CG 4.45Å; V85-R157 VanDerWaalsContact CG2-O 3.29Å; V85-R157 WeakPolarHBondContact CG2-O 3.28Å; V85-T160 HydrophobicContact CG1-CG2 3.87Å; V85-F161 HydrophobicContact CG2-CB 3.81Å; V85-Q164 PolarHBondContact O-NE2 3.41Å; V85-Q164 PolarHBondContact O-OE1 2.99Å |
| 86 | N | 93.3 | Very high | 88.6 | Confident | 43 Ų | 43 | 31.5 Ų | 31.5 | 23% | 0.23 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.5 | -47.5 | 175.4 | -171.6 | -68.7 | 0 | 0 | 0 | 111.4 | R50 K82 L83 L84 Q89 | R50-N86 PolarHBondContact NH1-O 2.66Å; R50-N86 PolarHBondContact NH1-OD1 3.02Å; R50-N86 PolarHBondContact NH2-OD1 2.96Å; K82-N86 WeakPolarHBondContact O-CB 3.29Å; K82-N86 PolarHBondContact O-N 3.01Å; K82-N86 VanDerWaalsContact O-N 3.13Å; L83-N86 PolarHBondContact O-N 3.31Å; L84-N86 PolarHBondContact O-N 3.38Å; N86-Q89 WeakPolarHBondContact O-CB 3.29Å; N86-Q89 PolarHBondContact O-N 2.92Å |
| 87 | L | 92.9 | Very high | 86.8 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 8% | 0.084 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.3 | -26.8 | -176.7 | -68 | 176.2 | 0 | 0 | 0 | 113.4 | L40 I53 I59 L63 L83 L84 Q89 | L40-L87 HydrophobicContact CD1-CD2 3.82Å; L40-L87 HydrophobicContact CD1-CG 4.32Å; L40-L87 HydrophobicContact CD2-CD2 4.23Å; I53-L87 HydrophobicContact CG2-CD1 3.9Å; I53-L87 HydrophobicContact CG2-CD2 3.91Å; I59-L87 HydrophobicContact CD1-CB 3.98Å; I59-L87 HydrophobicContact CG1-CB 4.27Å; I59-L87 HydrophobicContact CG1-CD1 3.98Å; L63-L87 HydrophobicContact CD1-CD1 3.85Å; L83-L87 HydrophobicContact CD1-CD1 3.89Å; L83-L87 HydrophobicContact CD1-CG 3.94Å; L83-L87 HydrophobicContact CG-CD1 3.88Å; L83-L87 HydrophobicContact CG-CG 4.33Å; L83-L87 WeakPolarHBondContact O-CB 3.33Å; L83-L87 WeakPolarHBondContact O-CG 3.49Å; L83-L87 PolarHBondContact O-N 3.39Å; L84-L87 PolarHBondContact O-N 2.77Å; L84-L87 VanDerWaalsContact O-N 3.11Å; L87-Q89 VanDerWaalsContact C-N 3.34Å |
| 88 | T | 93.3 | Very high | 84.6 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 6.9 | 175.3 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | L84 L116 F123 F161 Q164 V165 | L84-T88 PolarHBondContact O-N 3.2Å; L84-T88 PolarHBondContact O-OG1 3.33Å; T88-L116 HydrophobicContact CG2-CD1 4.1Å; T88-F123 HydrophobicContact CG2-CE1 4.5Å; T88-F123 HydrophobicContact CG2-CE2 3.81Å; T88-F123 HydrophobicContact CG2-CZ 3.46Å; T88-F123 VanDerWaalsContact CG2-CZ 3.46Å; T88-F161 HydrophobicContact CG2-CD2 4.45Å; T88-F161 HydrophobicContact CG2-CE2 4.2Å; T88-Q164 WeakPolarHBondContact O-CB 3.39Å; T88-Q164 PolarHBondContact O-OE1 3.39Å; T88-Q164 PolarHBondContact OG1-OE1 2.83Å; T88-V165 HydrophobicContact CG2-CG2 4.3Å |
| 89 | Q | 90.5 | Very high | 82.5 | Confident | 55 Ų | 55 | 43.7 Ų | 43.7 | 26% | 0.257 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -57.7 | 134.1 | 177.1 | -174.7 | 172.5 | -10.1 | 0 | 0 | 112 | N86 L87 V91 I93 L94 | N86-Q89 WeakPolarHBondContact O-CB 3.29Å; N86-Q89 PolarHBondContact O-N 2.92Å; L87-Q89 VanDerWaalsContact C-N 3.34Å; Q89-V91 PolarHBondContact O-N 3.04Å; Q89-I93 VanDerWaalsContact NE2-CG2 3.33Å; Q89-L94 HydrophobicContact CB-CD2 4.39Å; Q89-L94 HydrophobicContact CB-CG 4.48Å; Q89-L94 HydrophobicContact CG-CD2 4.11Å; Q89-L94 HydrophobicContact CG-CG 4.2Å |
| 90 | P | 87.9 | Confident | 80.4 | Confident | 44 Ų | 44 | 50.9 Ų | 50.9 | 29% | 0.286 | 25% | 0.25 | S | C | . | . | trans | -56.9 | 132.3 | 179 | -26.6 | 35.1 | 0 | 0 | 0 | 112.3 | D92 I93 L94 | P90-D92 PolarHBondContact O-N 3.47Å; P90-I93 HydrophobicContact CB-CD1 4.21Å; P90-I93 HydrophobicContact CB-CG1 4.29Å; P90-I93 HydrophobicContact CG-CD1 4.12Å; P90-I93 PolarHBondContact O-N 3.46Å; P90-L94 PolarHBondContact O-N 3.24Å | ||
| 91 | V | 85.4 | Confident | 78.2 | Confident | 14 Ų | 14 | 60.5 Ų | 60.5 | 9% | 0.085 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.7 | -31.1 | -173.5 | -176.6 | 0 | 0 | 0 | 0 | 112.5 | Q89 I93 L94 T95 A109 L112 L113 | Q89-V91 PolarHBondContact O-N 3.04Å; V91-I93 VanDerWaalsContact C-N 3.28Å; V91-I93 PolarHBondContact O-N 3.02Å; V91-L94 PolarHBondContact O-N 3.27Å; V91-T95 HydrophobicContact CG1-CG2 4.34Å; V91-T95 PolarHBondContact O-N 3.32Å; V91-T95 VanDerWaalsContact O-N 3.12Å; V91-T95 PolarHBondContact O-OG1 2.87Å; V91-A109 HydrophobicContact CG1-CB 3.87Å; V91-L112 HydrophobicContact CG1-CB 4.09Å; V91-L112 HydrophobicContact CG1-CD1 4.46Å; V91-L112 HydrophobicContact CG2-CB 4.13Å; V91-L113 HydrophobicContact CG2-CB 4.17Å |
| 92 | D | 77.2 | Confident | 76 | Confident | 117 Ų | 117 | 64.7 Ų | 64.7 | 63% | 0.626 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -60.3 | -38.2 | 175.7 | -58.1 | -46.2 | 0 | 0 | 0 | 111.9 | P90 T95 E96 | P90-D92 PolarHBondContact O-N 3.47Å; D92-T95 PolarHBondContact O-N 3.05Å; D92-T95 PolarHBondContact O-OG1 3.47Å; D92-E96 WeakPolarHBondContact O-CB 3.48Å; D92-E96 PolarHBondContact O-N 3Å |
| 93 | I | 79.7 | Confident | 73.5 | Confident | 84 Ų | 84 | 69.2 Ų | 69.2 | 43% | 0.431 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.9 | -37.3 | 178.9 | -54.4 | 176.9 | 0 | 0 | 0 | 110.6 | Q89 P90 V91 T95 | Q89-I93 VanDerWaalsContact NE2-CG2 3.33Å; P90-I93 HydrophobicContact CB-CD1 4.21Å; P90-I93 HydrophobicContact CB-CG1 4.29Å; P90-I93 HydrophobicContact CG-CD1 4.12Å; P90-I93 PolarHBondContact O-N 3.46Å; V91-I93 VanDerWaalsContact C-N 3.28Å; V91-I93 PolarHBondContact O-N 3.02Å; I93-T95 PolarHBondContact O-N 2.92Å |
| 94 | L | 79 | Confident | 71.5 | Confident | 25 Ų | 25 | 76.7 Ų | 76.7 | 13% | 0.131 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.9 | -20.5 | 176.3 | -63.2 | 173.3 | 0 | 0 | 0 | 112.9 | Q89 P90 V91 | Q89-L94 HydrophobicContact CB-CD2 4.39Å; Q89-L94 HydrophobicContact CB-CG 4.48Å; Q89-L94 HydrophobicContact CG-CD2 4.11Å; Q89-L94 HydrophobicContact CG-CG 4.2Å; P90-L94 PolarHBondContact O-N 3.24Å; V91-L94 PolarHBondContact O-N 3.27Å |
| 95 | T | 71.2 | Confident | 69.7 | Low | 25 Ų | 25 | 77.5 Ų | 77.5 | 15% | 0.153 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -116.3 | -3.2 | -174.5 | 55 | 0 | 0 | 0 | 0 | 114.1 | V91 D92 I93 H97 N98 A109 | V91-T95 HydrophobicContact CG1-CG2 4.34Å; V91-T95 PolarHBondContact O-N 3.32Å; V91-T95 VanDerWaalsContact O-N 3.12Å; V91-T95 PolarHBondContact O-OG1 2.87Å; D92-T95 PolarHBondContact O-N 3.05Å; D92-T95 PolarHBondContact O-OG1 3.47Å; I93-T95 PolarHBondContact O-N 2.92Å; T95-H97 PolarHBondContact O-N 3.46Å; T95-H97 VanDerWaalsContact O-N 3.12Å; T95-N98 PolarHBondContact O-N 3.34Å; T95-A109 HydrophobicContact CG2-CB 4.16Å |
| 96 | E | 62.1 | Low | 68.4 | Low | 95 Ų | 95 | 80.3 Ų | 80.3 | 44% | 0.444 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.1 | -177.3 | -175.2 | 153.6 | -139.9 | 0 | 0 | 114.1 | D92 N98 R434 | D92-E96 WeakPolarHBondContact O-CB 3.48Å; D92-E96 PolarHBondContact O-N 3Å; E96-N98 VanDerWaalsContact C-N 3.26Å; E96-N98 PolarHBondContact O-N 3.3Å; E96-R434 IonicContact OE1-CZ 2.69Å; E96-R434 IonicContact OE1-NH1 3.38Å; E96-R434 PolarHBondContact OE1-NH1 3.16Å; E96-R434 IonicContact OE1-NH2 3.28Å; E96-R434 PolarHBondContact OE1-NH2 3.06Å |
| 97 | H | 55.6 | Low | 67.5 | Low | 181 Ų | 181 | 80.9 Ų | 80.9 | 84% | 0.838 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -11.4 | 177.2 | -68.7 | 65.2 | 0 | 0 | 0 | 113.5 | T95 | T95-H97 PolarHBondContact O-N 3.46Å; T95-H97 VanDerWaalsContact O-N 3.12Å |
| 98 | N | 49.5 | Very low | 66.5 | Low | 34 Ų | 34 | 82.1 Ų | 82.1 | 18% | 0.182 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -102.8 | 136 | -176.5 | -70.7 | -26 | 0 | 0 | 0 | 111.1 | V45 T95 E96 R100 T105 | V45-N98 WeakPolarHBondContact CG1-OD1 3.15Å; T95-N98 PolarHBondContact O-N 3.34Å; E96-N98 VanDerWaalsContact C-N 3.26Å; E96-N98 PolarHBondContact O-N 3.3Å; N98-R100 PolarHBondContact O-N 2.83Å; N98-T105 HydrophobicContact CB-CG2 3.64Å |
| 99 | D | 49.1 | Very low | 65.8 | Low | 84 Ų | 84 | 83 Ų | 83 | 45% | 0.449 | 41% | 0.41 | S | S | . | . | trans | -58 | 113.2 | 179.9 | -175.8 | -0.8 | 0 | 0 | 0 | 110.5 | R101 L102 | D99-R101 PolarHBondContact O-N 3.35Å; D99-R101 WeakPolarHBondContact OD1-CB 3.07Å; D99-R101 WeakPolarHBondContact OD1-CD 3.37Å; D99-R101 WeakPolarHBondContact OD1-CG 3.35Å; D99-R101 PolarHBondContact OD1-N 3.46Å; D99-R101 IonicContact OD1-NE 3.48Å; D99-L102 HydrophobicContact CB-CD1 4.18Å; D99-L102 HydrophobicContact CB-CG 4.31Å; D99-L102 WeakPolarHBondContact O-CB 3.13Å; D99-L102 PolarHBondContact O-N 3.47Å | ||
| 100 | R | 51.6 | Low | 65.4 | Low | 154 Ų | 154 | 84 Ų | 84 | 58% | 0.581 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -15.5 | -177.9 | -72.4 | 179.9 | 169 | 160.7 | 0.4 | 113.6 | N98 L102 | N98-R100 PolarHBondContact O-N 2.83Å; R100-L102 VanDerWaalsContact C-N 3.33Å |
| 101 | R | 49 | Very low | 65.3 | Low | 203 Ų | 203 | 85.3 Ų | 85.3 | 77% | 0.766 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -19.2 | 176.5 | -58.8 | 170.6 | -162.7 | -160.6 | 5.2 | 113.4 | D99 | D99-R101 PolarHBondContact O-N 3.35Å; D99-R101 WeakPolarHBondContact OD1-CB 3.07Å; D99-R101 WeakPolarHBondContact OD1-CD 3.37Å; D99-R101 WeakPolarHBondContact OD1-CG 3.35Å; D99-R101 PolarHBondContact OD1-N 3.46Å; D99-R101 IonicContact OD1-NE 3.48Å |
| 102 | L | 48.6 | Very low | 65.4 | Low | 88 Ų | 88 | 85.1 Ų | 85.1 | 46% | 0.461 | 43% | 0.429 | S | S | . | . | trans | -79.4 | 126.2 | -176 | -65.2 | 170.9 | 0 | 0 | 0 | 111.7 | D99 R100 H104 T105 N106 | D99-L102 HydrophobicContact CB-CD1 4.18Å; D99-L102 HydrophobicContact CB-CG 4.31Å; D99-L102 WeakPolarHBondContact O-CB 3.13Å; D99-L102 PolarHBondContact O-N 3.47Å; R100-L102 VanDerWaalsContact C-N 3.33Å; L102-H104 VanDerWaalsContact C-N 3.28Å; L102-H104 PolarHBondContact O-N 3.18Å; L102-T105 HydrophobicContact CB-CG2 3.82Å; L102-T105 HydrophobicContact CD1-CG2 4.2Å; L102-T105 PolarHBondContact O-OG1 3.25Å; L102-N106 PolarHBondContact O-ND2 3.47Å | ||
| 103 | M | 44.1 | Very low | 65.9 | Low | 165 Ų | 165 | 81.9 Ų | 81.9 | 81% | 0.813 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68.6 | -26.4 | -179.5 | -61.9 | -151.3 | 79.5 | 0 | 0 | 113.4 | ||
| 104 | H | 51.4 | Low | 66.2 | Low | 156 Ų | 156 | 82.1 Ų | 82.1 | 72% | 0.722 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -66.8 | -45.4 | -179.6 | -62.4 | -74.1 | 0 | 0 | 0 | 112 | L102 N106 A107 E108 | L102-H104 VanDerWaalsContact C-N 3.28Å; L102-H104 PolarHBondContact O-N 3.18Å; H104-N106 VanDerWaalsContact C-N 3.25Å; H104-N106 PolarHBondContact O-N 2.84Å; H104-A107 WeakPolarHBondContact O-CB 3.38Å; H104-A107 PolarHBondContact O-N 2.84Å; H104-E108 PolarHBondContact O-N 3.13Å |
| 105 | T | 58.2 | Low | 66.6 | Low | 17 Ų | 17 | 81.6 Ų | 81.6 | 10% | 0.104 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.6 | -36.9 | -178.1 | 64.4 | 0 | 0 | 0 | 0 | 111.6 | N98 L102 A107 E108 A109 | N98-T105 HydrophobicContact CB-CG2 3.64Å; L102-T105 HydrophobicContact CB-CG2 3.82Å; L102-T105 HydrophobicContact CD1-CG2 4.2Å; L102-T105 PolarHBondContact O-OG1 3.25Å; T105-A107 PolarHBondContact O-N 3.34Å; T105-E108 PolarHBondContact O-N 3.36Å; T105-A109 WeakPolarHBondContact O-CB 3.39Å; T105-A109 PolarHBondContact O-N 2.99Å |
| 106 | N | 67.2 | Low | 67.5 | Low | 85 Ų | 85 | 81 Ų | 81 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.9 | -33.5 | 175.5 | -73 | -76.7 | 0 | 0 | 0 | 113.3 | L102 H104 S110 | L102-N106 PolarHBondContact O-ND2 3.47Å; H104-N106 VanDerWaalsContact C-N 3.25Å; H104-N106 PolarHBondContact O-N 2.84Å; N106-S110 WeakPolarHBondContact O-CB 3.46Å; N106-S110 PolarHBondContact O-N 3.42Å; N106-S110 VanDerWaalsContact O-N 3.09Å; N106-S110 PolarHBondContact O-OG 2.96Å |
| 107 | A | 73.5 | Confident | 68.8 | Low | 56 Ų | 56 | 78.1 Ų | 78.1 | 46% | 0.463 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -74.1 | -37.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | H104 T105 S110 T111 | H104-A107 WeakPolarHBondContact O-CB 3.38Å; H104-A107 PolarHBondContact O-N 2.84Å; T105-A107 PolarHBondContact O-N 3.34Å; A107-S110 PolarHBondContact O-N 2.69Å; A107-T111 PolarHBondContact O-N 3.03Å; A107-T111 PolarHBondContact O-OG1 2.74Å |
| 108 | E | 72.6 | Confident | 70.2 | Confident | 41 Ų | 41 | 74.7 Ų | 74.7 | 19% | 0.192 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.9 | -44.8 | 177 | -60.7 | -171.7 | 125.7 | 0 | 0 | 111.7 | K51 H104 T105 S110 T111 L112 | K51-E108 IonicContact NZ-OE1 2.65Å; K51-E108 PolarHBondContact NZ-OE1 3.48Å; H104-E108 PolarHBondContact O-N 3.13Å; T105-E108 PolarHBondContact O-N 3.36Å; E108-S110 VanDerWaalsContact C-N 3.29Å; E108-S110 PolarHBondContact O-N 3.1Å; E108-T111 WeakPolarHBondContact O-CB 3.45Å; E108-T111 PolarHBondContact O-N 3Å; E108-L112 PolarHBondContact O-N 3.2Å |
| 109 | A | 79.3 | Confident | 72 | Confident | 20 Ų | 20 | 73.3 Ų | 73.3 | 17% | 0.165 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -54.3 | -46.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V91 T95 T105 T111 L112 L113 | V91-A109 HydrophobicContact CG1-CB 3.87Å; T95-A109 HydrophobicContact CG2-CB 4.16Å; T105-A109 WeakPolarHBondContact O-CB 3.39Å; T105-A109 PolarHBondContact O-N 2.99Å; A109-T111 VanDerWaalsContact C-N 3.28Å; A109-T111 PolarHBondContact O-N 3.06Å; A109-L112 PolarHBondContact O-N 3.49Å; A109-L113 VanDerWaalsContact O-CB 3.27Å; A109-L113 WeakPolarHBondContact O-CB 3.43Å; A109-L113 PolarHBondContact O-N 2.84Å |
| 110 | S | 81.7 | Confident | 74 | Confident | 77 Ų | 77 | 69.8 Ų | 69.8 | 54% | 0.538 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.7 | -35.3 | 176.7 | -61.1 | 0 | 0 | 0 | 0 | 112.8 | N106 A107 E108 H114 | N106-S110 WeakPolarHBondContact O-CB 3.46Å; N106-S110 PolarHBondContact O-N 3.42Å; N106-S110 VanDerWaalsContact O-N 3.09Å; N106-S110 PolarHBondContact O-OG 2.96Å; A107-S110 PolarHBondContact O-N 2.69Å; E108-S110 VanDerWaalsContact C-N 3.29Å; E108-S110 PolarHBondContact O-N 3.1Å; S110-H114 WeakPolarHBondContact O-CB 3.38Å; S110-H114 PolarHBondContact O-N 2.79Å |
| 111 | T | 85.4 | Confident | 75.8 | Confident | 71 Ų | 71 | 65.5 Ų | 65.5 | 44% | 0.436 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -72.5 | -46.3 | 179.3 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | A107 E108 A109 H114 C115 | A107-T111 PolarHBondContact O-N 3.03Å; A107-T111 PolarHBondContact O-OG1 2.74Å; E108-T111 WeakPolarHBondContact O-CB 3.45Å; E108-T111 PolarHBondContact O-N 3Å; A109-T111 VanDerWaalsContact C-N 3.28Å; A109-T111 PolarHBondContact O-N 3.06Å; T111-H114 PolarHBondContact O-N 2.75Å; T111-C115 PolarHBondContact O-N 3.12Å; T111-C115 VanDerWaalsContact O-N 3.08Å; T111-C115 PolarHBondContact O-SG 3.3Å |
| 112 | L | 87 | Confident | 77.8 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 174.8 | -73.4 | 173.5 | 0 | 0 | 0 | 111.3 | N47 R50 K51 V91 E108 A109 H114 C115 L116 | N47-L112 HydrophobicContact CB-CD1 4.14Å; R50-L112 HydrophobicContact CB-CD2 4.47Å; R50-L112 HydrophobicContact CG-CD2 3.76Å; K51-L112 HydrophobicContact CG-CD2 3.65Å; K51-L112 HydrophobicContact CG-CG 4.06Å; V91-L112 HydrophobicContact CG1-CB 4.09Å; V91-L112 HydrophobicContact CG1-CD1 4.46Å; V91-L112 HydrophobicContact CG2-CB 4.13Å; E108-L112 PolarHBondContact O-N 3.2Å; A109-L112 PolarHBondContact O-N 3.49Å; L112-H114 PolarHBondContact O-N 2.91Å; L112-C115 PolarHBondContact O-N 2.78Å; L112-L116 WeakPolarHBondContact O-CB 3.35Å; L112-L116 PolarHBondContact O-N 3.32Å |
| 113 | L | 87.4 | Confident | 80 | Confident | 48 Ų | 48 | 52.7 Ų | 52.7 | 25% | 0.251 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 176.6 | 178.3 | 60.3 | 0 | 0 | 0 | 111.7 | V91 A109 L116 Q117 P169 | V91-L113 HydrophobicContact CG2-CB 4.17Å; A109-L113 VanDerWaalsContact O-CB 3.27Å; A109-L113 WeakPolarHBondContact O-CB 3.43Å; A109-L113 PolarHBondContact O-N 2.84Å; L113-L116 PolarHBondContact O-N 3.01Å; L113-Q117 HydrophobicContact CD1-CG 4.2Å; L113-Q117 HydrophobicContact CG-CG 4.44Å; L113-Q117 WeakPolarHBondContact O-CB 3.12Å; L113-Q117 VanDerWaalsContact O-CG 3.27Å; L113-Q117 WeakPolarHBondContact O-CG 3.42Å; L113-Q117 PolarHBondContact O-N 2.92Å; L113-P169 HydrophobicContact CD1-CB 4.42Å; L113-P169 HydrophobicContact CD1-CG 4.14Å |
| 114 | H | 87.5 | Confident | 82.3 | Confident | 90 Ų | 90 | 46 Ų | 46 | 42% | 0.417 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 176.9 | -179.3 | -83.4 | 0 | 0 | 0 | 112.3 | S110 T111 L112 L116 Q117 Q118 | S110-H114 WeakPolarHBondContact O-CB 3.38Å; S110-H114 PolarHBondContact O-N 2.79Å; T111-H114 PolarHBondContact O-N 2.75Å; L112-H114 PolarHBondContact O-N 2.91Å; H114-L116 VanDerWaalsContact C-N 3.33Å; H114-L116 PolarHBondContact O-N 3.42Å; H114-Q117 PolarHBondContact O-N 3.47Å; H114-Q118 PolarHBondContact O-N 2.82Å |
| 115 | C | 87.2 | Confident | 84.3 | Confident | 14 Ų | 14 | 40.5 Ų | 40.5 | 10% | 0.095 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.5 | -35.7 | 177.6 | -58.5 | 0 | 0 | 0 | 0 | 112 | A54 T111 L112 Q118 S119 | A54-C115 HydrophobicContact CB-CB 3.63Å; T111-C115 PolarHBondContact O-N 3.12Å; T111-C115 VanDerWaalsContact O-N 3.08Å; T111-C115 PolarHBondContact O-SG 3.3Å; L112-C115 PolarHBondContact O-N 2.78Å; C115-Q118 PolarHBondContact O-N 3.06Å; C115-S119 PolarHBondContact O-N 3.07Å; C115-S119 PolarHBondContact O-OG 3.29Å |
| 116 | L | 89.8 | Confident | 86 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.2 | -39.1 | 174.4 | -173.1 | 57.7 | 0 | 0 | 0 | 111.9 | T88 L112 L113 H114 S119 Q120 I168 | T88-L116 HydrophobicContact CG2-CD1 4.1Å; L112-L116 WeakPolarHBondContact O-CB 3.35Å; L112-L116 PolarHBondContact O-N 3.32Å; L113-L116 PolarHBondContact O-N 3.01Å; H114-L116 VanDerWaalsContact C-N 3.33Å; H114-L116 PolarHBondContact O-N 3.42Å; L116-S119 WeakPolarHBondContact CA-OG 3.36Å; L116-S119 PolarHBondContact O-OG 3.47Å; L116-S119 VanDerWaalsContact O-OG 3.1Å; L116-Q120 PolarHBondContact O-N 2.89Å; L116-I168 HydrophobicContact CD1-CD1 3.75Å; L116-I168 HydrophobicContact CD1-CG1 4.28Å; L116-I168 HydrophobicContact CD2-CD1 4.33Å; L116-I168 HydrophobicContact CD2-CG1 3.94Å; L116-I168 HydrophobicContact CG-CD1 3.76Å; L116-I168 HydrophobicContact CG-CG1 3.86Å; L116-I168 HydrophobicContact CG-CG2 4.17Å |
| 117 | Q | 88.7 | Confident | 87.3 | Confident | 34 Ų | 34 | 44.9 Ų | 44.9 | 16% | 0.159 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.6 | -38 | 173.5 | -75.6 | 171.3 | -13.7 | 0 | 0 | 112.4 | L113 H114 Q120 I168 P169 P170 | L113-Q117 HydrophobicContact CD1-CG 4.2Å; L113-Q117 HydrophobicContact CG-CG 4.44Å; L113-Q117 WeakPolarHBondContact O-CB 3.12Å; L113-Q117 VanDerWaalsContact O-CG 3.27Å; L113-Q117 WeakPolarHBondContact O-CG 3.42Å; L113-Q117 PolarHBondContact O-N 2.92Å; H114-Q117 PolarHBondContact O-N 3.47Å; Q117-Q120 WeakPolarHBondContact O-CB 3.1Å; Q117-I168 HydrophobicContact CG-CG2 4.08Å; Q117-P169 WeakPolarHBondContact CG-O 3.45Å; Q117-P169 PolarHBondContact NE2-O 2.96Å; Q117-P170 PolarHBondContact NE2-O 3.16Å |
| 118 | Q | 86.2 | Confident | 88.4 | Confident | 109 Ų | 109 | 42.2 Ų | 42.2 | 51% | 0.509 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.3 | -48.7 | 175.9 | -178.2 | 176.9 | -14.8 | 0 | 0 | 111.7 | H114 C115 Q120 S121 | H114-Q118 PolarHBondContact O-N 2.82Å; C115-Q118 PolarHBondContact O-N 3.06Å; Q118-Q120 VanDerWaalsContact C-N 3.28Å; Q118-Q120 PolarHBondContact O-N 3.2Å; Q118-S121 PolarHBondContact O-OG 3.03Å |
| 119 | S | 87.4 | Confident | 89.5 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.028 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.2 | -22.2 | 178.9 | 53.6 | 0 | 0 | 0 | 0 | 113.7 | N57 C115 L116 S121 A122 | N57-S119 WeakPolarHBondContact OD1-CA 3.31Å; N57-S119 VanDerWaalsContact OD1-CB 3.29Å; N57-S119 WeakPolarHBondContact OD1-CB 3.48Å; C115-S119 PolarHBondContact O-N 3.07Å; C115-S119 PolarHBondContact O-OG 3.29Å; L116-S119 WeakPolarHBondContact CA-OG 3.36Å; L116-S119 PolarHBondContact O-OG 3.47Å; L116-S119 VanDerWaalsContact O-OG 3.1Å; S119-S121 PolarHBondContact O-N 3.48Å; S119-A122 WeakPolarHBondContact O-CB 3.34Å; S119-A122 PolarHBondContact O-N 3.31Å |
| 120 | Q | 90.1 | Very high | 90.3 | Very high | 11 Ų | 11 | 42.4 Ų | 42.4 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -50.9 | -32 | 176.5 | -165.4 | -174.7 | 33 | 0 | 0 | 112.9 | L116 Q117 Q118 A122 F123 V165 I168 V183 I187 | L116-Q120 PolarHBondContact O-N 2.89Å; Q117-Q120 WeakPolarHBondContact O-CB 3.1Å; Q118-Q120 VanDerWaalsContact C-N 3.28Å; Q118-Q120 PolarHBondContact O-N 3.2Å; Q120-A122 PolarHBondContact O-N 2.92Å; Q120-F123 HydrophobicContact CG-CD2 4.46Å; Q120-F123 PolarHBondContact O-N 3.44Å; Q120-F123 VanDerWaalsContact O-N 3.17Å; Q120-V165 PolarHBondContact NE2-O 3.43Å; Q120-I168 HydrophobicContact CB-CD1 4.16Å; Q120-I168 HydrophobicContact CG-CD1 3.9Å; Q120-V183 HydrophobicContact CB-CG1 4.12Å; Q120-V183 HydrophobicContact CG-CB 4.26Å; Q120-V183 HydrophobicContact CG-CG1 3.7Å; Q120-V183 WeakPolarHBondContact O-CG1 3.38Å; Q120-I187 HydrophobicContact CG-CD1 3.87Å |
| 121 | S | 89 | Confident | 91 | Very high | 64 Ų | 64 | 39.7 Ų | 39.7 | 45% | 0.448 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -60.4 | -28.5 | 179.1 | 62.4 | 0 | 0 | 0 | 0 | 114.4 | Q118 S119 F123 A124 | Q118-S121 PolarHBondContact O-OG 3.03Å; S119-S121 PolarHBondContact O-N 3.48Å; S121-F123 VanDerWaalsContact C-N 3.34Å; S121-A124 PolarHBondContact O-N 2.64Å |
| 122 | A | 92.2 | Very high | 91.5 | Very high | 21 Ų | 21 | 36.3 Ų | 36.3 | 17% | 0.174 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -71.3 | -27.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | G60 V64 S119 Q120 A124 D125 | G60-A122 VanDerWaalsContact CA-CB 3.49Å; V64-A122 HydrophobicContact CG2-CB 4.36Å; S119-A122 WeakPolarHBondContact O-CB 3.34Å; S119-A122 PolarHBondContact O-N 3.31Å; Q120-A122 PolarHBondContact O-N 2.92Å; A122-A124 PolarHBondContact O-N 2.76Å; A122-D125 PolarHBondContact O-N 3.02Å |
| 123 | F | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -73.5 | -9.1 | 178.5 | -53.3 | -48.3 | 0 | 0 | 0 | 113.4 | I59 V64 L84 T88 Q120 S121 D125 L128 F129 F161 V165 I168 I187 | I59-F123 HydrophobicContact CD1-CZ 4.4Å; I59-F123 HydrophobicContact CG2-CD1 4.46Å; I59-F123 HydrophobicContact CG2-CE1 3.43Å; I59-F123 VanDerWaalsContact CG2-CE1 3.43Å; I59-F123 HydrophobicContact CG2-CE2 4.3Å; I59-F123 HydrophobicContact CG2-CZ 3.33Å; V64-F123 HydrophobicContact CG2-CD1 3.93Å; V64-F123 HydrophobicContact CG2-CE1 3.92Å; L84-F123 HydrophobicContact CD2-CE1 4.19Å; T88-F123 HydrophobicContact CG2-CE1 4.5Å; T88-F123 HydrophobicContact CG2-CE2 3.81Å; T88-F123 HydrophobicContact CG2-CZ 3.46Å; T88-F123 VanDerWaalsContact CG2-CZ 3.46Å; Q120-F123 HydrophobicContact CG-CD2 4.46Å; Q120-F123 PolarHBondContact O-N 3.44Å; Q120-F123 VanDerWaalsContact O-N 3.17Å; S121-F123 VanDerWaalsContact C-N 3.34Å; F123-D125 PolarHBondContact O-N 3.31Å; F123-L128 HydrophobicContact CD1-CD2 4.14Å; F123-F129 VanDerWaalsContact O-CE2 3.25Å; F123-F129 WeakPolarHBondContact O-CE2 3.41Å; F123-F161 HydrophobicContact CD1-CE2 4.1Å; F123-F161 AromaticContact CD1-CZ 3.6Å; F123-F161 HydrophobicContact CD1-CZ 3.6Å; F123-F161 AromaticContact CE1-CE2 3.59Å; F123-F161 HydrophobicContact CE1-CE2 3.59Å; F123-F161 AromaticContact CE1-CZ 3.53Å; F123-F161 HydrophobicContact CE1-CZ 3.53Å; F123-F161 HydrophobicContact CG-CZ 4.42Å; F123-F161 AromaticContact CZ-CE2 3.98Å; F123-F161 HydrophobicContact CZ-CE2 3.98Å; F123-F161 HydrophobicContact CZ-CZ 4.32Å; F123-V165 HydrophobicContact CB-CG1 3.71Å; F123-V165 HydrophobicContact CD1-CG2 4.25Å; F123-V165 HydrophobicContact CD2-CB 4.25Å; F123-V165 HydrophobicContact CD2-CG1 3.69Å; F123-V165 HydrophobicContact CD2-CG2 3.66Å; F123-V165 HydrophobicContact CE1-CG2 4.33Å; F123-V165 HydrophobicContact CE2-CG2 3.77Å; F123-V165 HydrophobicContact CG-CG1 3.85Å; F123-V165 HydrophobicContact CG-CG2 3.91Å; F123-V165 HydrophobicContact CZ-CG2 4.09Å; F123-I168 HydrophobicContact CE2-CD1 4.25Å; F123-I187 HydrophobicContact CB-CD1 4.08Å; F123-I187 HydrophobicContact CB-CG1 4.24Å |
| 124 | A | 92.7 | Very high | 92.4 | Very high | 24 Ų | 24 | 38.3 Ų | 38.3 | 20% | 0.198 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -78.2 | 5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S121 A122 R186 I187 | S121-A124 PolarHBondContact O-N 2.64Å; A122-A124 PolarHBondContact O-N 2.76Å; A124-R186 HydrophobicContact CB-CB 3.88Å; A124-I187 HydrophobicContact CB-CG1 4.21Å |
| 125 | D | 92.5 | Very high | 92.7 | Very high | 42 Ų | 42 | 37 Ų | 37 | 23% | 0.225 | 20% | 0.198 | C | C | . | . | trans | -77 | 119.5 | 174.6 | -165.8 | -30.7 | 0 | 0 | 0 | 111.4 | I68 A122 F123 R127 L128 | I68-D125 HydrophobicContact CD1-CB 4.38Å; A122-D125 PolarHBondContact O-N 3.02Å; F123-D125 PolarHBondContact O-N 3.31Å; D125-R127 PolarHBondContact O-N 3.49Å; D125-R127 VanDerWaalsContact OD1-CB 3.26Å; D125-R127 WeakPolarHBondContact OD1-CB 3.43Å; D125-R127 WeakPolarHBondContact OD1-CG 3.35Å; D125-R127 PolarHBondContact OD1-N 3.28Å; D125-R127 IonicContact OD1-NE 2.99Å; D125-R127 PolarHBondContact OD1-NE 3.37Å; D125-R127 VanDerWaalsContact OD1-NE 3.11Å; D125-R127 IonicContact OD2-CZ 2.69Å; D125-R127 VanDerWaalsContact OD2-CZ 3.29Å; D125-R127 IonicContact OD2-NE 2.89Å; D125-R127 PolarHBondContact OD2-NE 3.49Å; D125-R127 IonicContact OD2-NH2 2.64Å; D125-R127 PolarHBondContact OD2-NH2 2.82Å; D125-L128 WeakPolarHBondContact O-CB 3.49Å; D125-L128 PolarHBondContact O-N 3Å | ||
| 126 | E | 94.4 | Very high | 93.1 | Very high | 76 Ų | 76 | 36.4 Ų | 36.4 | 36% | 0.355 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56.6 | -34.5 | 177.3 | -167.9 | 174.3 | 147.9 | 0 | 0 | 112.7 | L128 F129 V130 K193 | E126-L128 VanDerWaalsContact C-N 3.31Å; E126-L128 PolarHBondContact O-N 3.41Å; E126-F129 PolarHBondContact O-N 3.06Å; E126-V130 WeakPolarHBondContact O-CG2 3.48Å; E126-V130 PolarHBondContact O-N 3.46Å; E126-K193 HydrophobicContact CG-CB 4.17Å; E126-K193 HydrophobicContact CG-CD 4.31Å; E126-K193 WeakPolarHBondContact OE2-CD 3.37Å; E126-K193 IonicContact OE2-NZ 2.61Å; E126-K193 PolarHBondContact OE2-NZ 3.07Å |
| 127 | R | 94.6 | Very high | 93.3 | Very high | 117 Ų | 117 | 38.7 Ų | 38.7 | 44% | 0.442 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.7 | -34.5 | -178.3 | -60 | 175.3 | -68.4 | -179.7 | 0.8 | 112.3 | I68 D125 V130 V131 | I68-R127 HydrophobicContact CD1-CB 4.13Å; I68-R127 HydrophobicContact CG1-CB 4.2Å; I68-R127 HydrophobicContact CG2-CB 3.91Å; D125-R127 PolarHBondContact O-N 3.49Å; D125-R127 VanDerWaalsContact OD1-CB 3.26Å; D125-R127 WeakPolarHBondContact OD1-CB 3.43Å; D125-R127 WeakPolarHBondContact OD1-CG 3.35Å; D125-R127 PolarHBondContact OD1-N 3.28Å; D125-R127 IonicContact OD1-NE 2.99Å; D125-R127 PolarHBondContact OD1-NE 3.37Å; D125-R127 VanDerWaalsContact OD1-NE 3.11Å; D125-R127 IonicContact OD2-CZ 2.69Å; D125-R127 VanDerWaalsContact OD2-CZ 3.29Å; D125-R127 IonicContact OD2-NE 2.89Å; D125-R127 PolarHBondContact OD2-NE 3.49Å; D125-R127 IonicContact OD2-NH2 2.64Å; D125-R127 PolarHBondContact OD2-NH2 2.82Å; R127-V130 PolarHBondContact O-N 3.22Å; R127-V131 PolarHBondContact O-N 3.07Å |
| 128 | L | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.5 | -49.9 | 176.4 | 179 | 63.5 | 0 | 0 | 0 | 110.2 | V64 A67 I68 F123 D125 E126 V130 V131 L132 F161 | V64-L128 HydrophobicContact CG1-CD2 4.17Å; V64-L128 HydrophobicContact CG2-CD2 4.13Å; A67-L128 HydrophobicContact CB-CD1 4.01Å; I68-L128 HydrophobicContact CD1-CB 4.25Å; I68-L128 HydrophobicContact CG1-CB 4.26Å; F123-L128 HydrophobicContact CD1-CD2 4.14Å; D125-L128 WeakPolarHBondContact O-CB 3.49Å; D125-L128 PolarHBondContact O-N 3Å; E126-L128 VanDerWaalsContact C-N 3.31Å; E126-L128 PolarHBondContact O-N 3.41Å; L128-V130 PolarHBondContact O-N 2.84Å; L128-V131 PolarHBondContact O-N 3.21Å; L128-L132 HydrophobicContact CD1-CD1 4.49Å; L128-L132 HydrophobicContact CG-CD1 4.16Å; L128-L132 WeakPolarHBondContact O-CG 3.44Å; L128-L132 PolarHBondContact O-N 2.9Å; L128-F161 HydrophobicContact CD2-CE1 4.23Å; L128-F161 HydrophobicContact CD2-CZ 4.21Å |
| 129 | F | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.5 | -27.4 | 179.7 | -71.3 | -76.6 | 0 | 0 | 0 | 113.5 | F123 E126 L132 T133 I187 A190 M191 S194 F196 | F123-F129 VanDerWaalsContact O-CE2 3.25Å; F123-F129 WeakPolarHBondContact O-CE2 3.41Å; E126-F129 PolarHBondContact O-N 3.06Å; F129-L132 HydrophobicContact CD1-CD1 3.99Å; F129-L132 HydrophobicContact CE1-CD1 4.27Å; F129-L132 PolarHBondContact O-N 2.58Å; F129-T133 VanDerWaalsContact O-CB 3.24Å; F129-T133 WeakPolarHBondContact O-CB 3.34Å; F129-T133 PolarHBondContact O-N 3.13Å; F129-T133 PolarHBondContact O-OG1 3.26Å; F129-I187 HydrophobicContact CE2-CG2 3.96Å; F129-I187 HydrophobicContact CZ-CG2 3.8Å; F129-A190 HydrophobicContact CD2-CB 3.9Å; F129-A190 HydrophobicContact CE2-CB 4.3Å; F129-M191 HydrophobicContact CD1-CG 3.64Å; F129-M191 HydrophobicContact CD2-CG 4.13Å; F129-M191 HydrophobicContact CE1-CE 4.36Å; F129-M191 HydrophobicContact CE1-CG 3.39Å; F129-M191 HydrophobicContact CE1-SD 3.95Å; F129-M191 HydrophobicContact CE2-CG 3.88Å; F129-M191 HydrophobicContact CG-CG 4Å; F129-M191 HydrophobicContact CZ-CG 3.52Å; F129-M191 HydrophobicContact CZ-SD 3.97Å; F129-S194 WeakPolarHBondContact CB-OG 3.46Å; F129-F196 HydrophobicContact CD1-CD2 4.2Å; F129-F196 HydrophobicContact CD1-CG 4.26Å |
| 130 | V | 96.5 | Very high | 94.2 | Very high | 66 Ų | 66 | 36.1 Ų | 36.1 | 40% | 0.4 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.2 | -45.3 | 169.5 | 171 | 0 | 0 | 0 | 0 | 110.8 | E126 R127 L128 T134 | E126-V130 WeakPolarHBondContact O-CG2 3.48Å; E126-V130 PolarHBondContact O-N 3.46Å; R127-V130 PolarHBondContact O-N 3.22Å; L128-V130 PolarHBondContact O-N 2.84Å; V130-T134 WeakPolarHBondContact O-CB 3.48Å; V130-T134 PolarHBondContact O-N 3.14Å; V130-T134 PolarHBondContact O-OG1 3.09Å |
| 131 | V | 96.3 | Very high | 94.3 | Very high | 20 Ų | 20 | 41.7 Ų | 41.7 | 12% | 0.121 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.8 | -50.1 | 174.5 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | P71 F77 R127 L128 T133 T134 K135 | P71-V131 HydrophobicContact CB-CG1 3.7Å; P71-V131 HydrophobicContact CB-CG2 4.28Å; P71-V131 HydrophobicContact CG-CG2 4.49Å; F77-V131 HydrophobicContact CE2-CG1 3.72Å; F77-V131 HydrophobicContact CZ-CG1 4.11Å; R127-V131 PolarHBondContact O-N 3.07Å; L128-V131 PolarHBondContact O-N 3.21Å; V131-T133 VanDerWaalsContact C-N 3.34Å; V131-T133 PolarHBondContact O-N 3.35Å; V131-T134 PolarHBondContact O-N 2.83Å; V131-K135 PolarHBondContact O-N 3.17Å |
| 132 | L | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.4 | -44.8 | 179.4 | -66.3 | 171.8 | 0 | 0 | 0 | 111.7 | F77 M81 L128 F129 K135 L136 I158 F161 F196 | F77-L132 HydrophobicContact CZ-CD2 4.23Å; M81-L132 HydrophobicContact CE-CD2 4.12Å; M81-L132 HydrophobicContact SD-CD2 3.88Å; L128-L132 HydrophobicContact CD1-CD1 4.49Å; L128-L132 HydrophobicContact CG-CD1 4.16Å; L128-L132 WeakPolarHBondContact O-CG 3.44Å; L128-L132 PolarHBondContact O-N 2.9Å; F129-L132 HydrophobicContact CD1-CD1 3.99Å; F129-L132 HydrophobicContact CE1-CD1 4.27Å; F129-L132 PolarHBondContact O-N 2.58Å; L132-K135 PolarHBondContact O-N 2.97Å; L132-L136 WeakPolarHBondContact O-CB 3.44Å; L132-L136 PolarHBondContact O-N 3.33Å; L132-I158 HydrophobicContact CB-CG2 4.34Å; L132-I158 HydrophobicContact CD2-CD1 4.46Å; L132-I158 HydrophobicContact CD2-CG1 4.02Å; L132-I158 HydrophobicContact CD2-CG2 4.19Å; L132-F161 HydrophobicContact CD1-CD1 4.11Å; L132-F161 HydrophobicContact CD1-CE1 3.94Å; L132-F196 HydrophobicContact CB-CD2 4.48Å; L132-F196 HydrophobicContact CB-CE2 4.37Å |
| 133 | T | 96.5 | Very high | 94.4 | Very high | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.6 | -40.5 | 178.1 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | F129 V131 L136 K137 S194 K195 F196 | F129-T133 VanDerWaalsContact O-CB 3.24Å; F129-T133 WeakPolarHBondContact O-CB 3.34Å; F129-T133 PolarHBondContact O-N 3.13Å; F129-T133 PolarHBondContact O-OG1 3.26Å; V131-T133 VanDerWaalsContact C-N 3.34Å; V131-T133 PolarHBondContact O-N 3.35Å; T133-L136 PolarHBondContact O-N 3.01Å; T133-K137 HydrophobicContact CG2-CD 3.75Å; T133-K137 VanDerWaalsContact CG2-CE 3.47Å; T133-K137 HydrophobicContact CG2-CG 4.02Å; T133-K137 PolarHBondContact O-N 3.49Å; T133-S194 PolarHBondContact OG1-O 3.18Å; T133-K195 WeakPolarHBondContact CG2-O 3.35Å; T133-F196 WeakPolarHBondContact OG1-CA 3.37Å; T133-F196 WeakPolarHBondContact OG1-CB 3.48Å |
| 134 | T | 95.9 | Very high | 94.2 | Very high | 94 Ų | 94 | 53.1 Ų | 53.1 | 58% | 0.577 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66 | -37 | 178.8 | -56.7 | 0 | 0 | 0 | 0 | 112 | V130 V131 P138 | V130-T134 WeakPolarHBondContact O-CB 3.48Å; V130-T134 PolarHBondContact O-N 3.14Å; V130-T134 PolarHBondContact O-OG1 3.09Å; V131-T134 PolarHBondContact O-N 2.83Å; T134-P138 WeakPolarHBondContact O-CD 3.46Å |
| 135 | K | 94.4 | Very high | 94.1 | Very high | 63 Ų | 63 | 57.3 Ų | 57.3 | 27% | 0.274 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -74.2 | -35.3 | 172.8 | -67.1 | -67.2 | -172.7 | 178.8 | 0 | 112.6 | P71 F77 V131 L132 L139 I158 | P71-K135 WeakPolarHBondContact O-CE 3.21Å; P71-K135 PolarHBondContact O-NZ 3.06Å; F77-K135 HydrophobicContact CE1-CG 4.29Å; F77-K135 HydrophobicContact CZ-CG 4.33Å; V131-K135 PolarHBondContact O-N 3.17Å; L132-K135 PolarHBondContact O-N 2.97Å; K135-L139 WeakPolarHBondContact O-CD1 3.3Å; K135-L139 WeakPolarHBondContact O-CG 3.32Å; K135-I158 HydrophobicContact CB-CD1 4.35Å |
| 136 | L | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -79.7 | -44.5 | -172.6 | -178.2 | 62.9 | 0 | 0 | 0 | 113.5 | L132 T133 L139 I140 I155 I158 L159 F196 A199 | L132-L136 WeakPolarHBondContact O-CB 3.44Å; L132-L136 PolarHBondContact O-N 3.33Å; T133-L136 PolarHBondContact O-N 3.01Å; L136-L139 PolarHBondContact O-N 3.45Å; L136-L139 VanDerWaalsContact O-N 3.1Å; L136-I140 HydrophobicContact CD1-CD1 4.21Å; L136-I140 HydrophobicContact CD1-CG1 4.26Å; L136-I140 HydrophobicContact CD2-CD1 4.18Å; L136-I140 HydrophobicContact CG-CD1 3.71Å; L136-I140 HydrophobicContact CG-CG1 4.23Å; L136-I140 PolarHBondContact O-N 3.04Å; L136-I140 VanDerWaalsContact O-N 3.09Å; L136-I155 HydrophobicContact CD1-CB 4.38Å; L136-I155 HydrophobicContact CD1-CG1 4.15Å; L136-I155 HydrophobicContact CD1-CG2 3.97Å; L136-I158 HydrophobicContact CB-CD1 4.42Å; L136-I158 HydrophobicContact CD2-CG2 4.16Å; L136-L159 HydrophobicContact CD2-CD2 4.27Å; L136-F196 HydrophobicContact CD2-CE2 3.78Å; L136-F196 HydrophobicContact CD2-CZ 4.11Å; L136-A199 HydrophobicContact CD2-CB 4.3Å |
| 137 | K | 94.3 | Very high | 94 | Very high | 62 Ų | 62 | 56.9 Ų | 56.9 | 27% | 0.27 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56 | -50 | -174.5 | -79.4 | -176.3 | 174.6 | 173.4 | 0 | 114.1 | T133 L139 I140 D141 K195 A199 | T133-K137 HydrophobicContact CG2-CD 3.75Å; T133-K137 VanDerWaalsContact CG2-CE 3.47Å; T133-K137 HydrophobicContact CG2-CG 4.02Å; T133-K137 PolarHBondContact O-N 3.49Å; K137-L139 PolarHBondContact O-N 3.2Å; K137-L139 VanDerWaalsContact O-N 3.14Å; K137-I140 WeakPolarHBondContact O-CB 3.46Å; K137-I140 PolarHBondContact O-N 3.17Å; K137-D141 PolarHBondContact O-N 3.5Å; K137-D141 VanDerWaalsContact O-N 3.12Å; K137-K195 WeakPolarHBondContact CE-O 3.22Å; K137-K195 PolarHBondContact NZ-O 3.29Å; K137-A199 HydrophobicContact CG-CB 4.14Å |
| 138 | P | 94 | Very high | 94 | Very high | 72 Ų | 72 | 59.6 Ų | 59.6 | 47% | 0.468 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.9 | -31.3 | 178.3 | -23.9 | 34.6 | 0 | 0 | 0 | 113.4 | T134 M142 | T134-P138 WeakPolarHBondContact O-CD 3.46Å; P138-M142 WeakPolarHBondContact O-CG 3.33Å; P138-M142 PolarHBondContact O-N 3.22Å |
| 139 | L | 94.1 | Very high | 93.8 | Very high | 15 Ų | 15 | 67.4 Ų | 67.4 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -78.3 | -29.2 | 179.8 | -55 | 179.8 | 0 | 0 | 0 | 112.4 | K135 L136 K137 M142 R147 Q151 L154 I155 | K135-L139 WeakPolarHBondContact O-CD1 3.3Å; K135-L139 WeakPolarHBondContact O-CG 3.32Å; L136-L139 PolarHBondContact O-N 3.45Å; L136-L139 VanDerWaalsContact O-N 3.1Å; K137-L139 PolarHBondContact O-N 3.2Å; K137-L139 VanDerWaalsContact O-N 3.14Å; L139-M142 HydrophobicContact CD2-SD 4.03Å; L139-R147 PolarHBondContact O-NE 2.79Å; L139-R147 PolarHBondContact O-NH2 3.42Å; L139-Q151 HydrophobicContact CD1-CB 4.48Å; L139-Q151 HydrophobicContact CD2-CB 4.08Å; L139-Q151 HydrophobicContact CD2-CG 3.99Å; L139-L154 HydrophobicContact CD1-CD2 4.16Å; L139-I155 HydrophobicContact CB-CD1 3.86Å; L139-I155 HydrophobicContact CB-CG1 3.91Å; L139-I155 HydrophobicContact CD1-CG1 3.99Å |
| 140 | I | 93.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 74.3 Ų | 74.3 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.7 | -44.7 | 170.6 | -68.8 | 165.7 | 0 | 0 | 0 | 110.1 | L136 K137 M142 R147 A199 D202 I203 | L136-I140 HydrophobicContact CD1-CD1 4.21Å; L136-I140 HydrophobicContact CD1-CG1 4.26Å; L136-I140 HydrophobicContact CD2-CD1 4.18Å; L136-I140 HydrophobicContact CG-CD1 3.71Å; L136-I140 HydrophobicContact CG-CG1 4.23Å; L136-I140 PolarHBondContact O-N 3.04Å; L136-I140 VanDerWaalsContact O-N 3.09Å; K137-I140 WeakPolarHBondContact O-CB 3.46Å; K137-I140 PolarHBondContact O-N 3.17Å; I140-M142 VanDerWaalsContact C-N 3.33Å; I140-M142 PolarHBondContact O-N 3.45Å; I140-R147 PolarHBondContact O-NH2 2.96Å; I140-A199 HydrophobicContact CD1-CB 4.01Å; I140-D202 HydrophobicContact CG2-CB 3.93Å; I140-I203 HydrophobicContact CD1-CD1 3.86Å; I140-I203 HydrophobicContact CD1-CG1 3.68Å; I140-I203 HydrophobicContact CG1-CD1 4.29Å; I140-I203 HydrophobicContact CG1-CG1 3.87Å |
| 141 | D | 92.4 | Very high | 93.5 | Very high | 129 Ų | 129 | 73.3 Ų | 73.3 | 69% | 0.69 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67.5 | -28.3 | -177 | -67.1 | -31 | 0 | 0 | 0 | 113.5 | K137 | K137-D141 PolarHBondContact O-N 3.5Å; K137-D141 VanDerWaalsContact O-N 3.12Å |
| 142 | M | 92.6 | Very high | 93.4 | Very high | 48 Ų | 48 | 74.2 Ų | 74.2 | 24% | 0.236 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -60.8 | 143.4 | 171.8 | -71.7 | 175.6 | 73.7 | 0 | 0 | 112 | P138 L139 I140 E146 R147 | P138-M142 WeakPolarHBondContact O-CG 3.33Å; P138-M142 PolarHBondContact O-N 3.22Å; L139-M142 HydrophobicContact CD2-SD 4.03Å; I140-M142 VanDerWaalsContact C-N 3.33Å; I140-M142 PolarHBondContact O-N 3.45Å; M142-E146 HydrophobicContact CE-CB 4.1Å; M142-E146 WeakPolarHBondContact CE-O 3.45Å; M142-R147 HydrophobicContact CB-CG 3.96Å; M142-R147 HydrophobicContact CE-CG 4.43Å; M142-R147 PolarHBondContact O-NE 3.19Å; M142-R147 PolarHBondContact O-NH2 2.9Å |
| 143 | K | 91.1 | Very high | 93.3 | Very high | 106 Ų | 106 | 76 Ų | 76 | 46% | 0.461 | 36% | 0.359 | S | S | . | . | trans | -68.4 | 151.8 | 172.7 | -55 | -168.1 | -158.8 | 98 | 0 | 110.6 | H145 E146 R147 | K143-H145 PolarHBondContact O-N 3.06Å; K143-H145 VanDerWaalsContact O-N 3.1Å; K143-E146 HydrophobicContact CB-CG 4.06Å; K143-E146 WeakPolarHBondContact CB-OE2 3.18Å; K143-E146 WeakPolarHBondContact CG-OE2 3.38Å; K143-E146 PolarHBondContact N-OE2 3.45Å; K143-E146 IonicContact NZ-OE1 2.8Å; K143-E146 PolarHBondContact NZ-OE1 3.44Å; K143-E146 WeakPolarHBondContact O-CB 3.3Å; K143-E146 PolarHBondContact O-N 3.4Å; K143-R147 PolarHBondContact O-N 3.09Å | ||
| 144 | W | 89.7 | Confident | 93.2 | Very high | 170 Ų | 170 | 77 Ų | 77 | 64% | 0.644 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -36.1 | -175.3 | 69.1 | -93.8 | 0 | 0 | 0 | 114.2 | ||
| 145 | H | 90.8 | Very high | 93.2 | Very high | 112 Ų | 112 | 72.6 Ų | 72.6 | 52% | 0.519 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -9.3 | 179.3 | 55.3 | -96.3 | 0 | 0 | 0 | 114.5 | K143 | K143-H145 PolarHBondContact O-N 3.06Å; K143-H145 VanDerWaalsContact O-N 3.1Å |
| 146 | E | 92.1 | Very high | 93.2 | Very high | 88 Ų | 88 | 73.9 Ų | 73.9 | 41% | 0.411 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -16.5 | 175.6 | -65.8 | 164.4 | 178.5 | 0 | 0 | 111.4 | M142 K143 | M142-E146 HydrophobicContact CE-CB 4.1Å; M142-E146 WeakPolarHBondContact CE-O 3.45Å; K143-E146 HydrophobicContact CB-CG 4.06Å; K143-E146 WeakPolarHBondContact CB-OE2 3.18Å; K143-E146 WeakPolarHBondContact CG-OE2 3.38Å; K143-E146 PolarHBondContact N-OE2 3.45Å; K143-E146 IonicContact NZ-OE1 2.8Å; K143-E146 PolarHBondContact NZ-OE1 3.44Å; K143-E146 WeakPolarHBondContact O-CB 3.3Å; K143-E146 PolarHBondContact O-N 3.4Å |
| 147 | R | 92.5 | Very high | 93.2 | Very high | 22 Ų | 22 | 76.5 Ų | 76.5 | 8% | 0.083 | 35% | 0.354 | C | S | . | . | trans | -78.1 | 129.4 | -178.6 | -63 | 175.3 | -170.8 | 143.7 | 1.8 | 111.1 | L139 I140 M142 K143 V152 S208 C209 | L139-R147 PolarHBondContact O-NE 2.79Å; L139-R147 PolarHBondContact O-NH2 3.42Å; I140-R147 PolarHBondContact O-NH2 2.96Å; M142-R147 HydrophobicContact CB-CG 3.96Å; M142-R147 HydrophobicContact CE-CG 4.43Å; M142-R147 PolarHBondContact O-NE 3.19Å; M142-R147 PolarHBondContact O-NH2 2.9Å; K143-R147 PolarHBondContact O-N 3.09Å; R147-V152 HydrophobicContact CB-CG2 3.98Å; R147-S208 PolarHBondContact NH1-O 2.93Å; R147-C209 PolarHBondContact NH2-SG 3.4Å | ||
| 148 | R | 93.2 | Very high | 93.4 | Very high | 174 Ų | 174 | 73.5 Ų | 73.5 | 66% | 0.657 | 34% | 0.341 | S | S | * | . | trans | -74.7 | 156.7 | 169.4 | -58 | -177.9 | -173.3 | 174.3 | 2.1 | 110.6 | E150 Q151 V152 | R148-E150 VanDerWaalsContact C-N 3.29Å; R148-E150 PolarHBondContact O-N 2.59Å; R148-Q151 HydrophobicContact CB-CG 4.34Å; R148-Q151 WeakPolarHBondContact O-CA 3.48Å; R148-Q151 WeakPolarHBondContact O-CB 3.41Å; R148-Q151 PolarHBondContact O-N 3.36Å; R148-V152 PolarHBondContact O-N 2.9Å | ||
| 149 | E | 92.7 | Very high | 93.5 | Very high | 163 Ų | 163 | 70.1 Ų | 70.1 | 76% | 0.762 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -54.2 | -44.1 | 177 | -172.1 | 177.8 | 179.4 | 0 | 0 | 112.3 | Q151 V152 V153 | E149-Q151 VanDerWaalsContact C-N 3.25Å; E149-Q151 PolarHBondContact O-N 2.64Å; E149-V152 PolarHBondContact O-N 3.15Å; E149-V152 VanDerWaalsContact O-N 3.14Å; E149-V153 HydrophobicContact CG-CG2 4.41Å; E149-V153 WeakPolarHBondContact O-CB 3.22Å; E149-V153 WeakPolarHBondContact O-CG2 3.43Å; E149-V153 PolarHBondContact O-N 3.09Å |
| 150 | E | 92.7 | Very high | 93.5 | Very high | 146 Ų | 146 | 71.3 Ų | 71.3 | 68% | 0.682 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -52.4 | -41.4 | 173.6 | -63.2 | 167.7 | 170.7 | 0 | 0 | 112.7 | R148 L154 | R148-E150 VanDerWaalsContact C-N 3.29Å; R148-E150 PolarHBondContact O-N 2.59Å; E150-L154 WeakPolarHBondContact O-CB 3.19Å; E150-L154 PolarHBondContact O-N 2.73Å |
| 151 | Q | 94.1 | Very high | 93.6 | Very high | 45 Ų | 45 | 71.1 Ų | 71.1 | 21% | 0.21 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -73.9 | -40.2 | 179.8 | -63.3 | 174 | -54.6 | 0 | 0 | 111.5 | L139 R148 E149 V153 L154 I155 | L139-Q151 HydrophobicContact CD1-CB 4.48Å; L139-Q151 HydrophobicContact CD2-CB 4.08Å; L139-Q151 HydrophobicContact CD2-CG 3.99Å; R148-Q151 HydrophobicContact CB-CG 4.34Å; R148-Q151 WeakPolarHBondContact O-CA 3.48Å; R148-Q151 WeakPolarHBondContact O-CB 3.41Å; R148-Q151 PolarHBondContact O-N 3.36Å; E149-Q151 VanDerWaalsContact C-N 3.25Å; E149-Q151 PolarHBondContact O-N 2.64Å; Q151-V153 VanDerWaalsContact C-N 3.34Å; Q151-L154 PolarHBondContact O-N 3.46Å; Q151-I155 VanDerWaalsContact O-CG1 3.32Å; Q151-I155 WeakPolarHBondContact O-CG1 3.35Å; Q151-I155 PolarHBondContact O-N 2.85Å |
| 152 | V | 94.2 | Very high | 93.8 | Very high | 39 Ų | 39 | 65 Ų | 65 | 24% | 0.236 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 174 | 173 | 0 | 0 | 0 | 0 | 110.4 | R147 R148 E149 L154 I155 Q156 F212 | R147-V152 HydrophobicContact CB-CG2 3.98Å; R148-V152 PolarHBondContact O-N 2.9Å; E149-V152 PolarHBondContact O-N 3.15Å; E149-V152 VanDerWaalsContact O-N 3.14Å; V152-L154 VanDerWaalsContact C-N 3.33Å; V152-L154 PolarHBondContact O-N 3.17Å; V152-I155 PolarHBondContact O-N 3.1Å; V152-Q156 WeakPolarHBondContact O-CG 3.49Å; V152-Q156 PolarHBondContact O-N 2.93Å; V152-F212 HydrophobicContact CG1-CE1 4.16Å; V152-F212 HydrophobicContact CG1-CZ 4.08Å |
| 153 | V | 94.4 | Very high | 93.8 | Very high | 36 Ų | 36 | 65 Ų | 65 | 22% | 0.218 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -37.5 | 177.2 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | E149 Q151 Q156 R157 | E149-V153 HydrophobicContact CG-CG2 4.41Å; E149-V153 WeakPolarHBondContact O-CB 3.22Å; E149-V153 WeakPolarHBondContact O-CG2 3.43Å; E149-V153 PolarHBondContact O-N 3.09Å; Q151-V153 VanDerWaalsContact C-N 3.34Å; V153-Q156 PolarHBondContact O-N 3.4Å; V153-R157 WeakPolarHBondContact O-CG 3.21Å; V153-R157 PolarHBondContact O-N 3.2Å |
| 154 | L | 94.8 | Very high | 93.9 | Very high | 29 Ų | 29 | 60.8 Ų | 60.8 | 15% | 0.152 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 174.6 | -174.4 | 60.1 | 0 | 0 | 0 | 112 | F77 L139 E150 Q151 V152 Q156 R157 I158 | F77-L154 HydrophobicContact CD1-CD1 4.35Å; F77-L154 HydrophobicContact CE1-CD1 4.14Å; L139-L154 HydrophobicContact CD1-CD2 4.16Å; E150-L154 WeakPolarHBondContact O-CB 3.19Å; E150-L154 PolarHBondContact O-N 2.73Å; Q151-L154 PolarHBondContact O-N 3.46Å; V152-L154 VanDerWaalsContact C-N 3.33Å; V152-L154 PolarHBondContact O-N 3.17Å; L154-Q156 VanDerWaalsContact C-N 3.35Å; L154-Q156 PolarHBondContact O-N 3.5Å; L154-R157 PolarHBondContact O-N 2.84Å; L154-I158 HydrophobicContact CD1-CD1 4.28Å; L154-I158 HydrophobicContact CD1-CG1 4.42Å; L154-I158 HydrophobicContact CG-CD1 4.08Å; L154-I158 WeakPolarHBondContact O-CG1 3.15Å; L154-I158 PolarHBondContact O-N 2.8Å |
| 155 | I | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.4 | -49.4 | 173.6 | -62.8 | 162.7 | 0 | 0 | 0 | 110 | L136 L139 Q151 V152 R157 I158 L159 F212 | L136-I155 HydrophobicContact CD1-CB 4.38Å; L136-I155 HydrophobicContact CD1-CG1 4.15Å; L136-I155 HydrophobicContact CD1-CG2 3.97Å; L139-I155 HydrophobicContact CB-CD1 3.86Å; L139-I155 HydrophobicContact CB-CG1 3.91Å; L139-I155 HydrophobicContact CD1-CG1 3.99Å; Q151-I155 VanDerWaalsContact O-CG1 3.32Å; Q151-I155 WeakPolarHBondContact O-CG1 3.35Å; Q151-I155 PolarHBondContact O-N 2.85Å; V152-I155 PolarHBondContact O-N 3.1Å; I155-R157 VanDerWaalsContact C-N 3.32Å; I155-R157 PolarHBondContact O-N 2.9Å; I155-I158 PolarHBondContact O-N 3.27Å; I155-L159 HydrophobicContact CG2-CD1 3.7Å; I155-L159 HydrophobicContact CG2-CG 4.25Å; I155-L159 WeakPolarHBondContact O-CG 3.39Å; I155-L159 PolarHBondContact O-N 2.99Å; I155-F212 HydrophobicContact CB-CE1 4.09Å; I155-F212 HydrophobicContact CB-CE2 4.24Å; I155-F212 HydrophobicContact CB-CZ 3.91Å; I155-F212 HydrophobicContact CD1-CD2 4.44Å; I155-F212 HydrophobicContact CD1-CE2 3.51Å; I155-F212 HydrophobicContact CD1-CZ 3.62Å; I155-F212 HydrophobicContact CG1-CE2 4.46Å; I155-F212 HydrophobicContact CG1-CZ 4.4Å; I155-F212 HydrophobicContact CG2-CD1 3.78Å; I155-F212 HydrophobicContact CG2-CD2 3.74Å; I155-F212 HydrophobicContact CG2-CE1 3.77Å; I155-F212 HydrophobicContact CG2-CE2 3.72Å; I155-F212 HydrophobicContact CG2-CG 3.77Å; I155-F212 HydrophobicContact CG2-CZ 3.74Å |
| 156 | Q | 94.8 | Very high | 94.1 | Very high | 91 Ų | 91 | 48.1 Ų | 48.1 | 43% | 0.425 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.5 | -43.5 | 178.7 | -72.3 | 174.6 | -7.6 | 0 | 0 | 112.1 | V152 V153 L154 T160 F212 | V152-Q156 WeakPolarHBondContact O-CG 3.49Å; V152-Q156 PolarHBondContact O-N 2.93Å; V153-Q156 PolarHBondContact O-N 3.4Å; L154-Q156 VanDerWaalsContact C-N 3.35Å; L154-Q156 PolarHBondContact O-N 3.5Å; Q156-T160 WeakPolarHBondContact O-CB 3.39Å; Q156-T160 PolarHBondContact O-N 2.86Å; Q156-T160 PolarHBondContact O-OG1 2.94Å; Q156-F212 HydrophobicContact CG-CD1 4.28Å; Q156-F212 HydrophobicContact CG-CE1 3.87Å |
| 157 | R | 95.3 | Very high | 93.9 | Very high | 54 Ų | 54 | 46.6 Ų | 46.6 | 20% | 0.204 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.6 | -45 | 178.2 | -74.4 | 174.7 | -172 | 153.5 | 5.9 | 112.4 | D78 K82 V85 V153 L154 I155 T160 F161 | D78-R157 IonicContact OD1-CZ 3.57Å; D78-R157 IonicContact OD1-NH1 1.79Å; D78-R157 PolarHBondContact OD1-NH1 3.02Å; D78-R157 IonicContact OD2-CZ 3.78Å; D78-R157 IonicContact OD2-NH1 3.61Å; D78-R157 PolarHBondContact OD2-NH1 2.62Å; K82-R157 VanDerWaalsContact CG-CZ 3.49Å; V85-R157 HydrophobicContact CG2-CB 4.13Å; V85-R157 HydrophobicContact CG2-CG 4.45Å; V85-R157 VanDerWaalsContact CG2-O 3.29Å; V85-R157 WeakPolarHBondContact CG2-O 3.28Å; V153-R157 WeakPolarHBondContact O-CG 3.21Å; V153-R157 PolarHBondContact O-N 3.2Å; L154-R157 PolarHBondContact O-N 2.84Å; I155-R157 VanDerWaalsContact C-N 3.32Å; I155-R157 PolarHBondContact O-N 2.9Å; R157-T160 PolarHBondContact O-N 2.99Å; R157-F161 VanDerWaalsContact O-CB 3.23Å; R157-F161 WeakPolarHBondContact O-CB 3.34Å; R157-F161 PolarHBondContact O-N 3.37Å |
| 158 | I | 96.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.1 | -49.1 | 177.4 | -67.4 | 171.4 | 0 | 0 | 0 | 110.3 | M81 L132 K135 L136 L154 I155 F161 C162 F196 | M81-I158 HydrophobicContact CE-CG1 4.05Å; L132-I158 HydrophobicContact CB-CG2 4.34Å; L132-I158 HydrophobicContact CD2-CD1 4.46Å; L132-I158 HydrophobicContact CD2-CG1 4.02Å; L132-I158 HydrophobicContact CD2-CG2 4.19Å; K135-I158 HydrophobicContact CB-CD1 4.35Å; L136-I158 HydrophobicContact CB-CD1 4.42Å; L136-I158 HydrophobicContact CD2-CG2 4.16Å; L154-I158 HydrophobicContact CD1-CD1 4.28Å; L154-I158 HydrophobicContact CD1-CG1 4.42Å; L154-I158 HydrophobicContact CG-CD1 4.08Å; L154-I158 WeakPolarHBondContact O-CG1 3.15Å; L154-I158 PolarHBondContact O-N 2.8Å; I155-I158 PolarHBondContact O-N 3.27Å; I158-F161 PolarHBondContact O-N 2.95Å; I158-C162 PolarHBondContact O-N 2.91Å; I158-C162 PolarHBondContact O-SG 3.28Å; I158-F196 HydrophobicContact CG2-CE2 4.01Å; I158-F196 HydrophobicContact CG2-CZ 4.36Å |
| 159 | L | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.3 | -41.3 | -179.3 | -63.9 | 176.6 | 0 | 0 | 0 | 112.4 | L136 I155 C162 K163 F196 L200 I203 F212 V215 I219 | L136-L159 HydrophobicContact CD2-CD2 4.27Å; I155-L159 HydrophobicContact CG2-CD1 3.7Å; I155-L159 HydrophobicContact CG2-CG 4.25Å; I155-L159 WeakPolarHBondContact O-CG 3.39Å; I155-L159 PolarHBondContact O-N 2.99Å; L159-C162 PolarHBondContact O-N 3.33Å; L159-K163 WeakPolarHBondContact O-CB 3.44Å; L159-K163 PolarHBondContact O-N 3.2Å; L159-F196 HydrophobicContact CD2-CZ 4.43Å; L159-L200 HydrophobicContact CD2-CD2 4.09Å; L159-I203 HydrophobicContact CD1-CD1 3.99Å; L159-I203 HydrophobicContact CD2-CD1 3.78Å; L159-I203 HydrophobicContact CG-CD1 4.49Å; L159-F212 HydrophobicContact CD1-CB 3.74Å; L159-F212 HydrophobicContact CD1-CD1 4.44Å; L159-F212 HydrophobicContact CD1-CG 4.18Å; L159-V215 HydrophobicContact CB-CG1 3.79Å; L159-I219 HydrophobicContact CB-CD1 4Å; L159-I219 HydrophobicContact CD2-CD1 3.76Å; L159-I219 HydrophobicContact CG-CD1 4.46Å; L159-I219 WeakPolarHBondContact O-CD1 3.22Å |
| 160 | T | 94.7 | Very high | 92.3 | Very high | 41 Ų | 41 | 37 Ų | 37 | 25% | 0.252 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.2 | -42.6 | 176.4 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | V85 Q156 R157 K163 Q164 | V85-T160 HydrophobicContact CG1-CG2 3.87Å; Q156-T160 WeakPolarHBondContact O-CB 3.39Å; Q156-T160 PolarHBondContact O-N 2.86Å; Q156-T160 PolarHBondContact O-OG1 2.94Å; R157-T160 PolarHBondContact O-N 2.99Å; T160-K163 PolarHBondContact O-N 2.97Å; T160-Q164 HydrophobicContact CG2-CG 4.4Å; T160-Q164 WeakPolarHBondContact O-CB 3.04Å; T160-Q164 VanDerWaalsContact O-CG 3.22Å; T160-Q164 WeakPolarHBondContact O-CG 3.43Å; T160-Q164 PolarHBondContact O-N 2.98Å |
| 161 | F | 96.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.8 | -50.9 | 174 | 171.8 | -110.5 | 0 | 0 | 0 | 111.4 | M81 L84 V85 T88 F123 L128 L132 R157 I158 K163 Q164 V165 | M81-F161 HydrophobicContact CE-CB 3.98Å; M81-F161 HydrophobicContact CE-CD1 4.23Å; M81-F161 HydrophobicContact CE-CG 4.16Å; L84-F161 HydrophobicContact CB-CD2 3.88Å; L84-F161 HydrophobicContact CB-CE2 3.88Å; L84-F161 HydrophobicContact CD1-CE2 4.17Å; L84-F161 HydrophobicContact CD1-CZ 4.25Å; L84-F161 HydrophobicContact CD2-CE2 4.16Å; L84-F161 HydrophobicContact CG-CE2 4.3Å; V85-F161 HydrophobicContact CG2-CB 3.81Å; T88-F161 HydrophobicContact CG2-CD2 4.45Å; T88-F161 HydrophobicContact CG2-CE2 4.2Å; F123-F161 HydrophobicContact CD1-CE2 4.1Å; F123-F161 AromaticContact CD1-CZ 3.6Å; F123-F161 HydrophobicContact CD1-CZ 3.6Å; F123-F161 AromaticContact CE1-CE2 3.59Å; F123-F161 HydrophobicContact CE1-CE2 3.59Å; F123-F161 AromaticContact CE1-CZ 3.53Å; F123-F161 HydrophobicContact CE1-CZ 3.53Å; F123-F161 HydrophobicContact CG-CZ 4.42Å; F123-F161 AromaticContact CZ-CE2 3.98Å; F123-F161 HydrophobicContact CZ-CE2 3.98Å; F123-F161 HydrophobicContact CZ-CZ 4.32Å; L128-F161 HydrophobicContact CD2-CE1 4.23Å; L128-F161 HydrophobicContact CD2-CZ 4.21Å; L132-F161 HydrophobicContact CD1-CD1 4.11Å; L132-F161 HydrophobicContact CD1-CE1 3.94Å; R157-F161 VanDerWaalsContact O-CB 3.23Å; R157-F161 WeakPolarHBondContact O-CB 3.34Å; R157-F161 PolarHBondContact O-N 3.37Å; I158-F161 PolarHBondContact O-N 2.95Å; F161-K163 PolarHBondContact O-N 3.39Å; F161-Q164 PolarHBondContact O-N 3.18Å; F161-Q164 VanDerWaalsContact O-N 3.17Å; F161-V165 HydrophobicContact CD1-CG2 4.48Å; F161-V165 HydrophobicContact CD2-CG2 3.83Å; F161-V165 HydrophobicContact CE1-CG2 4.15Å; F161-V165 HydrophobicContact CE2-CG2 3.45Å; F161-V165 VanDerWaalsContact CE2-CG2 3.45Å; F161-V165 HydrophobicContact CG-CG2 4.34Å; F161-V165 HydrophobicContact CZ-CG2 3.64Å; F161-V165 WeakPolarHBondContact O-CB 3.12Å; F161-V165 VanDerWaalsContact O-CG2 3.3Å; F161-V165 WeakPolarHBondContact O-CG2 3.12Å; F161-V165 PolarHBondContact O-N 2.89Å |
| 162 | C | 95.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.2 | -40.2 | -179.9 | -65 | 0 | 0 | 0 | 0 | 112.9 | I158 L159 L166 F196 I219 | I158-C162 PolarHBondContact O-N 2.91Å; I158-C162 PolarHBondContact O-SG 3.28Å; L159-C162 PolarHBondContact O-N 3.33Å; C162-L166 WeakPolarHBondContact O-CG 3.45Å; C162-L166 PolarHBondContact O-N 3.13Å; C162-F196 HydrophobicContact CB-CE1 4.2Å; C162-F196 HydrophobicContact CB-CZ 4.01Å; C162-F196 WeakPolarHBondContact SG-CZ 3.16Å; C162-I219 HydrophobicContact CB-CD1 4.39Å |
| 163 | K | 93.3 | Very high | 87.5 | Confident | 47 Ų | 47 | 45.8 Ų | 45.8 | 20% | 0.204 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.9 | -55.1 | 170.7 | 173.9 | -162.7 | 178 | 175 | 0 | 110.6 | L159 T160 F161 V165 L166 S167 E218 I219 | L159-K163 WeakPolarHBondContact O-CB 3.44Å; L159-K163 PolarHBondContact O-N 3.2Å; T160-K163 PolarHBondContact O-N 2.97Å; F161-K163 PolarHBondContact O-N 3.39Å; K163-V165 PolarHBondContact O-N 3.19Å; K163-L166 PolarHBondContact O-N 3.11Å; K163-S167 WeakPolarHBondContact O-CB 3.49Å; K163-S167 PolarHBondContact O-N 3.23Å; K163-S167 PolarHBondContact O-OG 3.34Å; K163-E218 HydrophobicContact CD-CB 3.96Å; K163-E218 VanDerWaalsContact CD-OE2 3.3Å; K163-E218 WeakPolarHBondContact CD-OE2 3.44Å; K163-E218 VanDerWaalsContact CE-CD 3.48Å; K163-E218 WeakPolarHBondContact CE-OE1 3.36Å; K163-E218 VanDerWaalsContact CE-OE2 3.27Å; K163-E218 WeakPolarHBondContact CE-OE2 3.42Å; K163-E218 HydrophobicContact CG-CB 4.14Å; K163-E218 IonicContact NZ-OE1 3.94Å; K163-E218 PolarHBondContact NZ-OE1 2.97Å; K163-E218 IonicContact NZ-OE2 2.63Å; K163-E218 PolarHBondContact NZ-OE2 3.5Å; K163-I219 HydrophobicContact CB-CG1 3.84Å |
| 164 | Q | 93.8 | Very high | 85 | Confident | 19 Ų | 19 | 51.3 Ų | 51.3 | 9% | 0.089 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.9 | -47.2 | -176.3 | -76.9 | 177.6 | -9.1 | 0 | 0 | 112.3 | V85 T88 T160 F161 L166 S167 I168 | V85-Q164 PolarHBondContact O-NE2 3.41Å; V85-Q164 PolarHBondContact O-OE1 2.99Å; T88-Q164 WeakPolarHBondContact O-CB 3.39Å; T88-Q164 PolarHBondContact O-OE1 3.39Å; T88-Q164 PolarHBondContact OG1-OE1 2.83Å; T160-Q164 HydrophobicContact CG2-CG 4.4Å; T160-Q164 WeakPolarHBondContact O-CB 3.04Å; T160-Q164 VanDerWaalsContact O-CG 3.22Å; T160-Q164 WeakPolarHBondContact O-CG 3.43Å; T160-Q164 PolarHBondContact O-N 2.98Å; F161-Q164 PolarHBondContact O-N 3.18Å; F161-Q164 VanDerWaalsContact O-N 3.17Å; Q164-L166 VanDerWaalsContact C-N 3.32Å; Q164-L166 PolarHBondContact O-N 3.42Å; Q164-S167 PolarHBondContact O-N 3.29Å; Q164-S167 VanDerWaalsContact O-N 3.14Å; Q164-I168 WeakPolarHBondContact O-CG1 3.37Å; Q164-I168 PolarHBondContact O-N 2.61Å |
| 165 | V | 93 | Very high | 82.8 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.4 | -40.1 | 179.1 | 166 | 0 | 0 | 0 | 0 | 112.8 | T88 Q120 F123 F161 K163 I187 | T88-V165 HydrophobicContact CG2-CG2 4.3Å; Q120-V165 PolarHBondContact NE2-O 3.43Å; F123-V165 HydrophobicContact CB-CG1 3.71Å; F123-V165 HydrophobicContact CD1-CG2 4.25Å; F123-V165 HydrophobicContact CD2-CB 4.25Å; F123-V165 HydrophobicContact CD2-CG1 3.69Å; F123-V165 HydrophobicContact CD2-CG2 3.66Å; F123-V165 HydrophobicContact CE1-CG2 4.33Å; F123-V165 HydrophobicContact CE2-CG2 3.77Å; F123-V165 HydrophobicContact CG-CG1 3.85Å; F123-V165 HydrophobicContact CG-CG2 3.91Å; F123-V165 HydrophobicContact CZ-CG2 4.09Å; F161-V165 HydrophobicContact CD1-CG2 4.48Å; F161-V165 HydrophobicContact CD2-CG2 3.83Å; F161-V165 HydrophobicContact CE1-CG2 4.15Å; F161-V165 HydrophobicContact CE2-CG2 3.45Å; F161-V165 VanDerWaalsContact CE2-CG2 3.45Å; F161-V165 HydrophobicContact CG-CG2 4.34Å; F161-V165 HydrophobicContact CZ-CG2 3.64Å; F161-V165 WeakPolarHBondContact O-CB 3.12Å; F161-V165 VanDerWaalsContact O-CG2 3.3Å; F161-V165 WeakPolarHBondContact O-CG2 3.12Å; F161-V165 PolarHBondContact O-N 2.89Å; K163-V165 PolarHBondContact O-N 3.19Å; V165-I187 HydrophobicContact CG1-CD1 3.85Å; V165-I187 HydrophobicContact CG1-CG2 4.12Å |
| 166 | L | 90.9 | Very high | 80.8 | Confident | 14 Ų | 14 | 56.8 Ų | 56.8 | 7% | 0.073 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -75.1 | -31.9 | 176.8 | -69.8 | 169 | 0 | 0 | 0 | 112.6 | C162 K163 Q164 I168 I187 I188 M191 I219 A222 L223 | C162-L166 WeakPolarHBondContact O-CG 3.45Å; C162-L166 PolarHBondContact O-N 3.13Å; K163-L166 PolarHBondContact O-N 3.11Å; Q164-L166 VanDerWaalsContact C-N 3.32Å; Q164-L166 PolarHBondContact O-N 3.42Å; L166-I168 VanDerWaalsContact C-N 3.29Å; L166-I168 PolarHBondContact O-N 3.41Å; L166-I187 HydrophobicContact CD2-CG2 3.86Å; L166-I188 HydrophobicContact CD2-CG1 4.08Å; L166-M191 HydrophobicContact CD1-CE 4.05Å; L166-M191 HydrophobicContact CD1-SD 4.04Å; L166-M191 HydrophobicContact CD2-SD 4.07Å; L166-M191 HydrophobicContact CG-SD 4.32Å; L166-I219 HydrophobicContact CD1-CG2 3.96Å; L166-A222 HydrophobicContact CB-CB 3.6Å; L166-A222 HydrophobicContact CD1-CB 4.39Å; L166-L223 HydrophobicContact CD1-CD2 3.56Å; L166-L223 HydrophobicContact CD1-CG 3.78Å; L166-L223 HydrophobicContact CD2-CD2 3.98Å; L166-L223 HydrophobicContact CG-CD2 4.44Å |
| 167 | S | 87.6 | Confident | 78.8 | Confident | 56 Ų | 56 | 57 Ų | 57 | 39% | 0.392 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -1.8 | -179.9 | -63.8 | 0 | 0 | 0 | 0 | 115 | K163 Q164 P169 | K163-S167 WeakPolarHBondContact O-CB 3.49Å; K163-S167 PolarHBondContact O-N 3.23Å; K163-S167 PolarHBondContact O-OG 3.34Å; Q164-S167 PolarHBondContact O-N 3.29Å; Q164-S167 VanDerWaalsContact O-N 3.14Å; S167-P169 VanDerWaalsContact O-CD 3.23Å; S167-P169 WeakPolarHBondContact O-CD 3.49Å |
| 168 | I | 88.1 | Confident | 77 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 6% | 0.056 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -64.8 | 116.9 | 178.3 | -63 | 167 | 0 | 0 | 0 | 109.3 | L116 Q117 Q120 F123 Q164 L166 | L116-I168 HydrophobicContact CD1-CD1 3.75Å; L116-I168 HydrophobicContact CD1-CG1 4.28Å; L116-I168 HydrophobicContact CD2-CD1 4.33Å; L116-I168 HydrophobicContact CD2-CG1 3.94Å; L116-I168 HydrophobicContact CG-CD1 3.76Å; L116-I168 HydrophobicContact CG-CG1 3.86Å; L116-I168 HydrophobicContact CG-CG2 4.17Å; Q117-I168 HydrophobicContact CG-CG2 4.08Å; Q120-I168 HydrophobicContact CB-CD1 4.16Å; Q120-I168 HydrophobicContact CG-CD1 3.9Å; F123-I168 HydrophobicContact CE2-CD1 4.25Å; Q164-I168 WeakPolarHBondContact O-CG1 3.37Å; Q164-I168 PolarHBondContact O-N 2.61Å; L166-I168 VanDerWaalsContact C-N 3.29Å; L166-I168 PolarHBondContact O-N 3.41Å |
| 169 | P | 80.8 | Confident | 75.4 | Confident | 64 Ų | 64 | 57.9 Ų | 57.9 | 42% | 0.416 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 139.3 | -179.2 | -24.6 | 34 | 0 | 0 | 0 | 111.7 | L113 Q117 S167 | L113-P169 HydrophobicContact CD1-CB 4.42Å; L113-P169 HydrophobicContact CD1-CG 4.14Å; Q117-P169 WeakPolarHBondContact CG-O 3.45Å; Q117-P169 PolarHBondContact NE2-O 2.96Å; S167-P169 VanDerWaalsContact O-CD 3.23Å; S167-P169 WeakPolarHBondContact O-CD 3.49Å |
| 170 | P | 75.3 | Confident | 74.2 | Confident | 83 Ų | 83 | 59.5 Ų | 59.5 | 54% | 0.539 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 147.2 | 178.2 | 27.6 | -34.5 | 0 | 0 | 0 | 111.3 | Q117 | Q117-P170 PolarHBondContact NE2-O 3.16Š|
| 171 | M | 69.9 | Low | 73.5 | Confident | 115 Ų | 115 | 63.8 Ų | 63.8 | 57% | 0.567 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 141.8 | 167.5 | -162.2 | -179.3 | -166.3 | 0 | 0 | 109 | T173 | M171-T173 VanDerWaalsContact C-N 3.28Å; M171-T173 PolarHBondContact O-N 3.46Å; M171-T173 PolarHBondContact O-OG1 3.07Å; M171-T173 VanDerWaalsContact O-OG1 3.07Å |
| 172 | K | 62.5 | Low | 72.9 | Confident | 211 Ų | 211 | 65.9 Ų | 65.9 | 92% | 0.917 | 36% | 0.36 | S | S | * | . | trans | -67.3 | 81.9 | -176.4 | -71.2 | 177.9 | 179.6 | 169.8 | 0 | 111.3 | ||||
| 173 | T | 48.1 | Very low | 72.4 | Confident | 88 Ų | 88 | 67.4 Ų | 67.4 | 54% | 0.54 | 37% | 0.369 | S | S | . | . | trans | -103.9 | 128.4 | -174.8 | -47.9 | 0 | 0 | 0 | 0 | 110.8 | M171 S175 | M171-T173 VanDerWaalsContact C-N 3.28Å; M171-T173 PolarHBondContact O-N 3.46Å; M171-T173 PolarHBondContact O-OG1 3.07Å; M171-T173 VanDerWaalsContact O-OG1 3.07Å; T173-S175 PolarHBondContact O-N 3.45Å | ||
| 174 | T | 43.3 | Very low | 72.1 | Confident | 153 Ų | 153 | 66.5 Ų | 66.5 | 94% | 0.939 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -79.1 | 50.8 | -169.5 | -34.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 175 | S | 47.4 | Very low | 71.9 | Confident | 56 Ų | 56 | 65.8 Ų | 65.8 | 39% | 0.392 | 37% | 0.367 | S | S | . | . | trans | -147.4 | 44.5 | -173.2 | 69.1 | 0 | 0 | 0 | 0 | 114.5 | T173 L177 | T173-S175 PolarHBondContact O-N 3.45Å; S175-L177 PolarHBondContact O-N 2.94Å | ||
| 176 | L | 53.4 | Low | 71.8 | Confident | 87 Ų | 87 | 71.2 Ų | 71.2 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -12.1 | -172.1 | -65.6 | 175.3 | 0 | 0 | 0 | 115.9 | P332 | L176-P332 HydrophobicContact CD1-CB 3.5Å; L176-P332 VanDerWaalsContact CD1-CB 3.5Å; L176-P332 HydrophobicContact CD1-CG 4.48Å; L176-P332 HydrophobicContact CD2-CB 3.64Å; L176-P332 HydrophobicContact CD2-CG 4.02Å; L176-P332 HydrophobicContact CG-CB 4.16Å |
| 177 | L | 53.2 | Low | 71.9 | Confident | 95 Ų | 95 | 70.5 Ų | 70.5 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 13.3 | -167.2 | -62.4 | 173.4 | 0 | 0 | 0 | 114.3 | S175 L255 | S175-L177 PolarHBondContact O-N 2.94Å; L177-L255 HydrophobicContact CB-CD1 3.93Å; L177-L255 HydrophobicContact CB-CD2 3.54Å; L177-L255 HydrophobicContact CB-CG 4.39Å; L177-L255 HydrophobicContact CD1-CD1 3.65Å; L177-L255 HydrophobicContact CG-CD1 4.45Å |
| 178 | V | 57.3 | Low | 72.2 | Confident | 51 Ų | 51 | 68.2 Ų | 68.2 | 31% | 0.309 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -124.1 | 134.8 | 175.4 | 179.7 | 0 | 0 | 0 | 0 | 109.7 | S180 K252 L255 | V178-S180 WeakPolarHBondContact O-CB 3.27Å; V178-S180 PolarHBondContact O-N 3.34Å; V178-S180 PolarHBondContact O-OG 3.25Å; V178-K252 HydrophobicContact CG1-CD 4.3Å; V178-K252 HydrophobicContact CG1-CG 4Å; V178-L255 HydrophobicContact CG2-CD2 3.77Å |
| 179 | S | 63.3 | Low | 72.4 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 15% | 0.154 | 38% | 0.375 | C | S | . | . | trans | -55.5 | 96.1 | 174.5 | 54 | 0 | 0 | 0 | 0 | 111.5 | D248 K252 | S179-D248 WeakPolarHBondContact CB-OD1 3.44Å; S179-D248 WeakPolarHBondContact CB-OD2 3.44Å; S179-D248 PolarHBondContact OG-OD1 3.08Å; S179-D248 VanDerWaalsContact OG-OD1 3.11Å; S179-D248 PolarHBondContact OG-OD2 2.87Å; S179-K252 WeakPolarHBondContact OG-CE 3.36Å; S179-K252 PolarHBondContact OG-NZ 3.01Å | ||
| 180 | S | 71.1 | Confident | 73.1 | Confident | 35 Ų | 35 | 66.8 Ų | 66.8 | 25% | 0.245 | 36% | 0.356 | C | S | . | . | trans | -135.9 | 133.5 | -169.3 | 50.6 | 0 | 0 | 0 | 0 | 111 | V178 T182 D185 K334 | V178-S180 WeakPolarHBondContact O-CB 3.27Å; V178-S180 PolarHBondContact O-N 3.34Å; V178-S180 PolarHBondContact O-OG 3.25Å; S180-T182 PolarHBondContact O-N 3.18Å; S180-D185 VanDerWaalsContact O-OD2 3.06Å; S180-K334 WeakPolarHBondContact O-CE 3.49Å; S180-K334 PolarHBondContact O-NZ 3.26Å | ||
| 181 | W | 80.7 | Confident | 74.1 | Confident | 131 Ų | 131 | 62.8 Ų | 62.8 | 50% | 0.496 | 33% | 0.331 | S | S | . | . | trans | -66.5 | 110 | 178.9 | -69.6 | 94.4 | 0 | 0 | 0 | 110.6 | D185 R186 L189 P337 P339 V340 | W181-D185 WeakPolarHBondContact CA-OD2 3.09Å; W181-D185 HydrophobicContact CE3-CB 3.9Å; W181-D185 HydrophobicContact CZ3-CB 4.37Å; W181-R186 HydrophobicContact CE3-CG 3.95Å; W181-L189 HydrophobicContact CH2-CD2 3.86Å; W181-L189 HydrophobicContact CZ3-CD2 3.95Å; W181-P337 HydrophobicContact CD2-CB 4.16Å; W181-P337 HydrophobicContact CD2-CG 3.63Å; W181-P337 HydrophobicContact CE3-CB 4.46Å; W181-P337 HydrophobicContact CE3-CG 3.96Å; W181-P337 HydrophobicContact CG-CG 3.89Å; W181-P337 HydrophobicContact CH2-CB 4.18Å; W181-P337 HydrophobicContact CZ2-CB 3.87Å; W181-P337 HydrophobicContact CZ2-CG 4.29Å; W181-P337 HydrophobicContact CZ3-CB 4.47Å; W181-P337 HydrophobicContact CZ3-CG 4.4Å; W181-P339 HydrophobicContact CH2-CG 4.43Å; W181-V340 HydrophobicContact CH2-CG2 4.33Å; W181-V340 HydrophobicContact CZ3-CG2 3.88Å | ||
| 182 | T | 82.2 | Confident | 75.3 | Confident | 44 Ų | 44 | 59.6 Ų | 59.6 | 27% | 0.27 | 31% | 0.314 | S | S | . | . | trans | -84.1 | 170.5 | 164.4 | 56.6 | 0 | 0 | 0 | 0 | 110.8 | S180 A184 D185 R186 K334 | S180-T182 PolarHBondContact O-N 3.18Å; T182-A184 VanDerWaalsContact C-N 3.3Å; T182-D185 PolarHBondContact N-OD2 2.99Å; T182-D185 PolarHBondContact O-N 3.35Å; T182-D185 VanDerWaalsContact OG1-CG 3.28Å; T182-D185 PolarHBondContact OG1-N 3.33Å; T182-D185 PolarHBondContact OG1-OD2 2.94Å; T182-R186 PolarHBondContact O-N 3.46Å; T182-K334 HydrophobicContact CG2-CD 4.12Å; T182-K334 PolarHBondContact OG1-NZ 2.98Å | ||
| 183 | V | 86.1 | Confident | 76.8 | Confident | 33 Ų | 33 | 55 Ų | 55 | 20% | 0.2 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 171 | -169.8 | 0 | 0 | 0 | 0 | 110.3 | Q120 D185 R186 I187 | Q120-V183 HydrophobicContact CB-CG1 4.12Å; Q120-V183 HydrophobicContact CG-CB 4.26Å; Q120-V183 HydrophobicContact CG-CG1 3.7Å; Q120-V183 WeakPolarHBondContact O-CG1 3.38Å; V183-D185 PolarHBondContact O-N 3.49Å; V183-R186 PolarHBondContact O-N 2.93Å; V183-R186 VanDerWaalsContact O-N 3.12Å; V183-I187 HydrophobicContact CG1-CD1 4.04Å; V183-I187 WeakPolarHBondContact O-CG1 3.34Å; V183-I187 PolarHBondContact O-N 3.33Å |
| 184 | A | 86.6 | Confident | 79.1 | Confident | 28 Ų | 28 | 51.3 Ų | 51.3 | 23% | 0.231 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.9 | -43.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T182 R186 I187 I188 | T182-A184 VanDerWaalsContact C-N 3.3Å; A184-R186 VanDerWaalsContact C-N 3.29Å; A184-R186 PolarHBondContact O-N 3.5Å; A184-I187 WeakPolarHBondContact O-CB 3.49Å; A184-I187 PolarHBondContact O-N 2.97Å; A184-I188 VanDerWaalsContact O-CG1 3.29Å; A184-I188 WeakPolarHBondContact O-CG1 3.34Å; A184-I188 PolarHBondContact O-N 2.9Å |
| 185 | D | 88.6 | Confident | 81.6 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.8 | -41.3 | 175.6 | -68.8 | -26.7 | 0 | 0 | 0 | 112.8 | S180 W181 T182 V183 I188 L189 K334 S336 P337 V340 | S180-D185 VanDerWaalsContact O-OD2 3.06Å; W181-D185 WeakPolarHBondContact CA-OD2 3.09Å; W181-D185 HydrophobicContact CE3-CB 3.9Å; W181-D185 HydrophobicContact CZ3-CB 4.37Å; T182-D185 PolarHBondContact N-OD2 2.99Å; T182-D185 PolarHBondContact O-N 3.35Å; T182-D185 VanDerWaalsContact OG1-CG 3.28Å; T182-D185 PolarHBondContact OG1-N 3.33Å; T182-D185 PolarHBondContact OG1-OD2 2.94Å; V183-D185 PolarHBondContact O-N 3.49Å; D185-I188 PolarHBondContact O-N 3.11Å; D185-L189 WeakPolarHBondContact O-CB 3.38Å; D185-L189 PolarHBondContact O-N 2.98Å; D185-K334 IonicContact OD1-NZ 3.25Å; D185-K334 PolarHBondContact OD1-NZ 3.46Å; D185-K334 IonicContact OD2-NZ 3.79Å; D185-K334 PolarHBondContact OD2-NZ 2.94Å; D185-S336 WeakPolarHBondContact OD1-CB 3.03Å; D185-S336 PolarHBondContact OD1-OG 3.11Å; D185-P337 VanDerWaalsContact CG-CD 3.48Å; D185-P337 WeakPolarHBondContact OD2-CD 3.4Å; D185-V340 HydrophobicContact CB-CG2 4.04Å |
| 186 | R | 91.6 | Very high | 83.9 | Confident | 115 Ų | 115 | 45.2 Ų | 45.2 | 43% | 0.434 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.6 | -36.5 | 179.3 | -66.2 | -172.9 | -71.9 | 155.7 | -3.4 | 111.4 | A124 W181 T182 V183 A184 L189 A190 | A124-R186 HydrophobicContact CB-CB 3.88Å; W181-R186 HydrophobicContact CE3-CG 3.95Å; T182-R186 PolarHBondContact O-N 3.46Å; V183-R186 PolarHBondContact O-N 2.93Å; V183-R186 VanDerWaalsContact O-N 3.12Å; A184-R186 VanDerWaalsContact C-N 3.29Å; A184-R186 PolarHBondContact O-N 3.5Å; R186-L189 PolarHBondContact O-N 3.19Å; R186-A190 WeakPolarHBondContact O-CB 3.3Å; R186-A190 PolarHBondContact O-N 3.09Å |
| 187 | I | 93.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.2 | -48.4 | 172.1 | -67.7 | 162.5 | 0 | 0 | 0 | 110.4 | Q120 F123 A124 F129 V165 L166 V183 A184 L189 A190 M191 | Q120-I187 HydrophobicContact CG-CD1 3.87Å; F123-I187 HydrophobicContact CB-CD1 4.08Å; F123-I187 HydrophobicContact CB-CG1 4.24Å; A124-I187 HydrophobicContact CB-CG1 4.21Å; F129-I187 HydrophobicContact CE2-CG2 3.96Å; F129-I187 HydrophobicContact CZ-CG2 3.8Å; V165-I187 HydrophobicContact CG1-CD1 3.85Å; V165-I187 HydrophobicContact CG1-CG2 4.12Å; L166-I187 HydrophobicContact CD2-CG2 3.86Å; V183-I187 HydrophobicContact CG1-CD1 4.04Å; V183-I187 WeakPolarHBondContact O-CG1 3.34Å; V183-I187 PolarHBondContact O-N 3.33Å; A184-I187 WeakPolarHBondContact O-CB 3.49Å; A184-I187 PolarHBondContact O-N 2.97Å; I187-L189 VanDerWaalsContact C-N 3.31Å; I187-L189 PolarHBondContact O-N 2.62Å; I187-A190 WeakPolarHBondContact O-CB 3.49Å; I187-A190 PolarHBondContact O-N 3.32Å; I187-A190 VanDerWaalsContact O-N 3.12Å; I187-M191 HydrophobicContact CG2-CG 4.47Å; I187-M191 HydrophobicContact CG2-SD 3.98Å; I187-M191 WeakPolarHBondContact O-CG 3.31Å; I187-M191 PolarHBondContact O-N 3.13Å |
| 188 | I | 92.7 | Very high | 87.9 | Confident | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.9 | -43.4 | 177.6 | -65.3 | 164.6 | 0 | 0 | 0 | 110.7 | L166 A184 D185 M191 E192 L223 V340 L344 | L166-I188 HydrophobicContact CD2-CG1 4.08Å; A184-I188 VanDerWaalsContact O-CG1 3.29Å; A184-I188 WeakPolarHBondContact O-CG1 3.34Å; A184-I188 PolarHBondContact O-N 2.9Å; D185-I188 PolarHBondContact O-N 3.11Å; I188-M191 PolarHBondContact O-N 3.12Å; I188-E192 PolarHBondContact O-N 3.38Å; I188-L223 HydrophobicContact CG1-CD2 3.85Å; I188-L223 HydrophobicContact CG2-CD2 4.49Å; I188-V340 HydrophobicContact CB-CG1 4.22Å; I188-V340 HydrophobicContact CD1-CG1 4.31Å; I188-V340 HydrophobicContact CG2-CG1 3.85Å; I188-L344 HydrophobicContact CD1-CD1 4.49Å; I188-L344 HydrophobicContact CG2-CD2 3.87Å; I188-L344 HydrophobicContact CG2-CG 4.14Å |
| 189 | L | 93.3 | Very high | 89.7 | Confident | 41 Ų | 41 | 36.5 Ų | 36.5 | 22% | 0.215 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.9 | -37.6 | 176.6 | -170.6 | 68 | 0 | 0 | 0 | 112.5 | W181 D185 R186 I187 E192 K193 P339 | W181-L189 HydrophobicContact CH2-CD2 3.86Å; W181-L189 HydrophobicContact CZ3-CD2 3.95Å; D185-L189 WeakPolarHBondContact O-CB 3.38Å; D185-L189 PolarHBondContact O-N 2.98Å; R186-L189 PolarHBondContact O-N 3.19Å; I187-L189 VanDerWaalsContact C-N 3.31Å; I187-L189 PolarHBondContact O-N 2.62Å; L189-E192 PolarHBondContact O-N 2.97Å; L189-K193 WeakPolarHBondContact O-CG 3.46Å; L189-K193 PolarHBondContact O-N 2.96Å; L189-P339 HydrophobicContact CD1-CB 4.43Å |
| 190 | A | 95.1 | Very high | 91.3 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.033 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.7 | -38.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | F129 R186 I187 S194 | F129-A190 HydrophobicContact CD2-CB 3.9Å; F129-A190 HydrophobicContact CE2-CB 4.3Å; R186-A190 WeakPolarHBondContact O-CB 3.3Å; R186-A190 PolarHBondContact O-N 3.09Å; I187-A190 WeakPolarHBondContact O-CB 3.49Å; I187-A190 PolarHBondContact O-N 3.32Å; I187-A190 VanDerWaalsContact O-N 3.12Å; A190-S194 VanDerWaalsContact O-CB 3.28Å; A190-S194 WeakPolarHBondContact O-CB 3.03Å; A190-S194 PolarHBondContact O-N 3.3Å; A190-S194 VanDerWaalsContact O-N 3.08Å; A190-S194 PolarHBondContact O-OG 2.91Å |
| 191 | M | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66 | -36.9 | 174.5 | -69.3 | 173.1 | 77.1 | 0 | 0 | 112.9 | F129 L166 I187 I188 S194 K195 F196 L197 L223 | F129-M191 HydrophobicContact CD1-CG 3.64Å; F129-M191 HydrophobicContact CD2-CG 4.13Å; F129-M191 HydrophobicContact CE1-CE 4.36Å; F129-M191 HydrophobicContact CE1-CG 3.39Å; F129-M191 HydrophobicContact CE1-SD 3.95Å; F129-M191 HydrophobicContact CE2-CG 3.88Å; F129-M191 HydrophobicContact CG-CG 4Å; F129-M191 HydrophobicContact CZ-CG 3.52Å; F129-M191 HydrophobicContact CZ-SD 3.97Å; L166-M191 HydrophobicContact CD1-CE 4.05Å; L166-M191 HydrophobicContact CD1-SD 4.04Å; L166-M191 HydrophobicContact CD2-SD 4.07Å; L166-M191 HydrophobicContact CG-SD 4.32Å; I187-M191 HydrophobicContact CG2-CG 4.47Å; I187-M191 HydrophobicContact CG2-SD 3.98Å; I187-M191 WeakPolarHBondContact O-CG 3.31Å; I187-M191 PolarHBondContact O-N 3.13Å; I188-M191 PolarHBondContact O-N 3.12Å; M191-S194 WeakPolarHBondContact CA-OG 3.27Å; M191-S194 PolarHBondContact O-OG 3.23Å; M191-K195 PolarHBondContact O-N 3.49Å; M191-F196 HydrophobicContact CB-CB 4.25Å; M191-F196 HydrophobicContact CE-CD1 3.37Å; M191-F196 HydrophobicContact CE-CE1 3.58Å; M191-F196 HydrophobicContact CE-CG 4.36Å; M191-F196 WeakPolarHBondContact O-CB 3.5Å; M191-F196 PolarHBondContact O-N 3.34Å; M191-L197 HydrophobicContact CB-CD2 4.06Å; M191-L197 HydrophobicContact CB-CG 4.22Å; M191-L197 HydrophobicContact CE-CD2 4.19Å; M191-L197 PolarHBondContact O-N 3.1Å; M191-L223 HydrophobicContact CE-CD2 4.28Å; M191-L223 HydrophobicContact SD-CD2 4.19Å |
| 192 | E | 95.4 | Very high | 93.1 | Very high | 47 Ų | 47 | 30 Ų | 30 | 22% | 0.22 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.9 | -53.7 | 173.6 | 174 | 49.9 | -142.6 | 0 | 0 | 110.9 | I188 L189 S194 K195 L197 A343 | I188-E192 PolarHBondContact O-N 3.38Å; L189-E192 PolarHBondContact O-N 2.97Å; E192-S194 VanDerWaalsContact C-N 3.32Å; E192-S194 PolarHBondContact O-N 2.96Å; E192-K195 WeakPolarHBondContact O-CA 3.44Å; E192-K195 WeakPolarHBondContact O-CD 3.29Å; E192-K195 PolarHBondContact O-N 3.04Å; E192-K195 IonicContact OE1-NZ 3.16Å; E192-K195 PolarHBondContact OE1-NZ 3.47Å; E192-L197 HydrophobicContact CB-CD1 4.04Å; E192-A343 HydrophobicContact CB-CB 4.2Å; E192-A343 HydrophobicContact CG-CB 4.01Å |
| 193 | K | 95.3 | Very high | 93.8 | Very high | 114 Ų | 114 | 27.9 Ų | 27.9 | 50% | 0.496 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -59.8 | -39.8 | -176.7 | -71 | -178.6 | -177.1 | -172.6 | 0 | 113.7 | E126 L189 K195 | E126-K193 HydrophobicContact CG-CB 4.17Å; E126-K193 HydrophobicContact CG-CD 4.31Å; E126-K193 WeakPolarHBondContact OE2-CD 3.37Å; E126-K193 IonicContact OE2-NZ 2.61Å; E126-K193 PolarHBondContact OE2-NZ 3.07Å; L189-K193 WeakPolarHBondContact O-CG 3.46Å; L189-K193 PolarHBondContact O-N 2.96Å; K193-K195 PolarHBondContact O-N 3.47Å |
| 194 | S | 95.3 | Very high | 94.2 | Very high | 12 Ų | 12 | 26.3 Ų | 26.3 | 8% | 0.084 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -5.6 | 176.3 | 57.5 | 0 | 0 | 0 | 0 | 114.2 | F129 T133 A190 M191 E192 F196 | F129-S194 WeakPolarHBondContact CB-OG 3.46Å; T133-S194 PolarHBondContact OG1-O 3.18Å; A190-S194 VanDerWaalsContact O-CB 3.28Å; A190-S194 WeakPolarHBondContact O-CB 3.03Å; A190-S194 PolarHBondContact O-N 3.3Å; A190-S194 VanDerWaalsContact O-N 3.08Å; A190-S194 PolarHBondContact O-OG 2.91Å; M191-S194 WeakPolarHBondContact CA-OG 3.27Å; M191-S194 PolarHBondContact O-OG 3.23Å; E192-S194 VanDerWaalsContact C-N 3.32Å; E192-S194 PolarHBondContact O-N 2.96Å; S194-F196 VanDerWaalsContact C-N 3.26Å; S194-F196 PolarHBondContact O-N 3.26Å |
| 195 | K | 95.6 | Very high | 94.5 | Very high | 80 Ų | 80 | 30.3 Ų | 30.3 | 35% | 0.348 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 33.9 | -174.5 | -48.5 | -44.9 | -106.4 | 130.6 | 0 | 113.7 | T133 K137 M191 E192 K193 D198 A199 | T133-K195 WeakPolarHBondContact CG2-O 3.35Å; K137-K195 WeakPolarHBondContact CE-O 3.22Å; K137-K195 PolarHBondContact NZ-O 3.29Å; M191-K195 PolarHBondContact O-N 3.49Å; E192-K195 WeakPolarHBondContact O-CA 3.44Å; E192-K195 WeakPolarHBondContact O-CD 3.29Å; E192-K195 PolarHBondContact O-N 3.04Å; E192-K195 IonicContact OE1-NZ 3.16Å; E192-K195 PolarHBondContact OE1-NZ 3.47Å; K193-K195 PolarHBondContact O-N 3.47Å; K195-D198 HydrophobicContact CB-CB 4.33Å; K195-D198 VanDerWaalsContact CB-OD2 3.27Å; K195-D198 WeakPolarHBondContact CB-OD2 3.37Å; K195-D198 WeakPolarHBondContact CD-OD2 3.19Å; K195-D198 WeakPolarHBondContact CE-OD2 3.43Å; K195-D198 IonicContact NZ-OD1 3.29Å; K195-D198 IonicContact NZ-OD2 3.66Å; K195-D198 PolarHBondContact NZ-OD2 2.91Å; K195-A199 PolarHBondContact O-N 3.37Å |
| 196 | F | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -72.5 | -36.7 | 167.6 | -169.2 | -84.8 | 0 | 0 | 0 | 111.2 | F129 L132 T133 L136 I158 L159 C162 M191 S194 D198 A199 L200 | F129-F196 HydrophobicContact CD1-CD2 4.2Å; F129-F196 HydrophobicContact CD1-CG 4.26Å; L132-F196 HydrophobicContact CB-CD2 4.48Å; L132-F196 HydrophobicContact CB-CE2 4.37Å; T133-F196 WeakPolarHBondContact OG1-CA 3.37Å; T133-F196 WeakPolarHBondContact OG1-CB 3.48Å; L136-F196 HydrophobicContact CD2-CE2 3.78Å; L136-F196 HydrophobicContact CD2-CZ 4.11Å; I158-F196 HydrophobicContact CG2-CE2 4.01Å; I158-F196 HydrophobicContact CG2-CZ 4.36Å; L159-F196 HydrophobicContact CD2-CZ 4.43Å; C162-F196 HydrophobicContact CB-CE1 4.2Å; C162-F196 HydrophobicContact CB-CZ 4.01Å; C162-F196 WeakPolarHBondContact SG-CZ 3.16Å; M191-F196 HydrophobicContact CB-CB 4.25Å; M191-F196 HydrophobicContact CE-CD1 3.37Å; M191-F196 HydrophobicContact CE-CE1 3.58Å; M191-F196 HydrophobicContact CE-CG 4.36Å; M191-F196 WeakPolarHBondContact O-CB 3.5Å; M191-F196 PolarHBondContact O-N 3.34Å; S194-F196 VanDerWaalsContact C-N 3.26Å; S194-F196 PolarHBondContact O-N 3.26Å; F196-D198 VanDerWaalsContact C-N 3.28Å; F196-D198 PolarHBondContact O-N 3.3Å; F196-A199 WeakPolarHBondContact O-CB 3.45Å; F196-A199 PolarHBondContact O-N 3.03Å; F196-L200 HydrophobicContact CD1-CD1 4.17Å; F196-L200 HydrophobicContact CD1-CG 4.11Å; F196-L200 HydrophobicContact CE1-CD1 4.05Å; F196-L200 HydrophobicContact CE1-CD2 3.88Å; F196-L200 HydrophobicContact CE1-CG 3.89Å; F196-L200 PolarHBondContact O-N 3.35Å; F196-L200 VanDerWaalsContact O-N 3.1Å |
| 197 | L | 95.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.5 | -37.2 | 174.6 | -62.9 | -167.8 | 0 | 0 | 0 | 111.8 | M191 E192 A199 L200 L201 L223 F347 | M191-L197 HydrophobicContact CB-CD2 4.06Å; M191-L197 HydrophobicContact CB-CG 4.22Å; M191-L197 HydrophobicContact CE-CD2 4.19Å; M191-L197 PolarHBondContact O-N 3.1Å; E192-L197 HydrophobicContact CB-CD1 4.04Å; L197-A199 VanDerWaalsContact C-N 3.32Å; L197-A199 PolarHBondContact O-N 3.17Å; L197-L200 HydrophobicContact CD2-CD1 3.99Å; L197-L200 WeakPolarHBondContact O-CB 3.16Å; L197-L200 PolarHBondContact O-N 2.8Å; L197-L201 PolarHBondContact O-N 3.4Å; L197-L201 VanDerWaalsContact O-N 3.15Å; L197-L223 HydrophobicContact CD2-CD1 3.75Å; L197-L223 HydrophobicContact CD2-CD2 4.28Å; L197-F347 HydrophobicContact CB-CD2 3.89Å; L197-F347 HydrophobicContact CB-CE2 4.27Å; L197-F347 HydrophobicContact CD1-CB 4.42Å; L197-F347 HydrophobicContact CD1-CD2 4.47Å; L197-F347 HydrophobicContact CD1-CG 4.48Å; L197-F347 WeakPolarHBondContact O-CE2 3.25Å |
| 198 | D | 95.2 | Very high | 94.3 | Very high | 50 Ų | 50 | 34 Ų | 34 | 27% | 0.267 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -61.5 | -39.8 | 172.2 | -60.8 | -33 | 0 | 0 | 0 | 111.5 | K195 F196 L200 L201 D202 | K195-D198 HydrophobicContact CB-CB 4.33Å; K195-D198 VanDerWaalsContact CB-OD2 3.27Å; K195-D198 WeakPolarHBondContact CB-OD2 3.37Å; K195-D198 WeakPolarHBondContact CD-OD2 3.19Å; K195-D198 WeakPolarHBondContact CE-OD2 3.43Å; K195-D198 IonicContact NZ-OD1 3.29Å; K195-D198 IonicContact NZ-OD2 3.66Å; K195-D198 PolarHBondContact NZ-OD2 2.91Å; F196-D198 VanDerWaalsContact C-N 3.28Å; F196-D198 PolarHBondContact O-N 3.3Å; D198-L200 VanDerWaalsContact C-N 3.3Å; D198-L200 PolarHBondContact O-N 3.39Å; D198-L201 WeakPolarHBondContact O-CB 3.33Å; D198-L201 PolarHBondContact O-N 2.97Å; D198-L201 VanDerWaalsContact O-N 3.1Å; D198-D202 VanDerWaalsContact O-CG 3.25Å; D198-D202 PolarHBondContact O-N 2.9Å |
| 199 | A | 95 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.5 | -29.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L136 K137 I140 K195 F196 L197 D202 I203 | L136-A199 HydrophobicContact CD2-CB 4.3Å; K137-A199 HydrophobicContact CG-CB 4.14Å; I140-A199 HydrophobicContact CD1-CB 4.01Å; K195-A199 PolarHBondContact O-N 3.37Å; F196-A199 WeakPolarHBondContact O-CB 3.45Å; F196-A199 PolarHBondContact O-N 3.03Å; L197-A199 VanDerWaalsContact C-N 3.32Å; L197-A199 PolarHBondContact O-N 3.17Å; A199-D202 PolarHBondContact O-N 3.26Å; A199-I203 WeakPolarHBondContact O-CG1 3.46Å; A199-I203 PolarHBondContact O-N 2.84Å |
| 200 | L | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.2 | -37.6 | 171 | -64.2 | 175.6 | 0 | 0 | 0 | 111.7 | L159 F196 L197 D198 D202 I203 A204 I219 L223 F347 | L159-L200 HydrophobicContact CD2-CD2 4.09Å; F196-L200 HydrophobicContact CD1-CD1 4.17Å; F196-L200 HydrophobicContact CD1-CG 4.11Å; F196-L200 HydrophobicContact CE1-CD1 4.05Å; F196-L200 HydrophobicContact CE1-CD2 3.88Å; F196-L200 HydrophobicContact CE1-CG 3.89Å; F196-L200 PolarHBondContact O-N 3.35Å; F196-L200 VanDerWaalsContact O-N 3.1Å; L197-L200 HydrophobicContact CD2-CD1 3.99Å; L197-L200 WeakPolarHBondContact O-CB 3.16Å; L197-L200 PolarHBondContact O-N 2.8Å; D198-L200 VanDerWaalsContact C-N 3.3Å; D198-L200 PolarHBondContact O-N 3.39Å; L200-D202 VanDerWaalsContact C-N 3.3Å; L200-I203 PolarHBondContact O-N 3.27Å; L200-A204 WeakPolarHBondContact O-CB 3.46Å; L200-A204 PolarHBondContact O-N 3.25Å; L200-I219 HydrophobicContact CD1-CG2 3.64Å; L200-I219 HydrophobicContact CD2-CD1 3.93Å; L200-I219 HydrophobicContact CD2-CG2 4.27Å; L200-L223 HydrophobicContact CD1-CD1 4.1Å; L200-F347 HydrophobicContact CB-CE2 4.14Å; L200-F347 HydrophobicContact CB-CZ 4.33Å |
| 201 | L | 95.5 | Very high | 93.8 | Very high | 18 Ų | 18 | 41.5 Ų | 41.5 | 9% | 0.094 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.3 | -38.5 | 171.5 | -61.3 | 174.3 | 0 | 0 | 0 | 111.1 | L197 D198 I203 A204 K205 F347 L351 | L197-L201 PolarHBondContact O-N 3.4Å; L197-L201 VanDerWaalsContact O-N 3.15Å; D198-L201 WeakPolarHBondContact O-CB 3.33Å; D198-L201 PolarHBondContact O-N 2.97Å; D198-L201 VanDerWaalsContact O-N 3.1Å; L201-I203 PolarHBondContact O-N 3.18Å; L201-A204 PolarHBondContact O-N 2.96Å; L201-K205 WeakPolarHBondContact O-CG 3.45Å; L201-K205 PolarHBondContact O-N 2.66Å; L201-F347 HydrophobicContact CD1-CD2 4.31Å; L201-F347 HydrophobicContact CD2-CD2 3.9Å; L201-F347 HydrophobicContact CD2-CE2 3.65Å; L201-F347 HydrophobicContact CD2-CZ 4.36Å; L201-F347 HydrophobicContact CG-CD2 3.99Å; L201-F347 HydrophobicContact CG-CE2 3.8Å; L201-L351 HydrophobicContact CD2-CB 3.71Å; L201-L351 HydrophobicContact CD2-CD1 4.19Å |
| 202 | D | 95 | Very high | 93.6 | Very high | 33 Ų | 33 | 41.6 Ų | 41.6 | 18% | 0.176 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.9 | -37.6 | 175.6 | -61.4 | -33.3 | 0 | 0 | 0 | 112.5 | I140 D198 A199 L200 K205 S206 | I140-D202 HydrophobicContact CG2-CB 3.93Å; D198-D202 VanDerWaalsContact O-CG 3.25Å; D198-D202 PolarHBondContact O-N 2.9Å; A199-D202 PolarHBondContact O-N 3.26Å; L200-D202 VanDerWaalsContact C-N 3.3Å; D202-K205 VanDerWaalsContact OD1-CE 3.29Å; D202-K205 WeakPolarHBondContact OD1-CE 3.39Å; D202-K205 IonicContact OD1-NZ 3.93Å; D202-K205 PolarHBondContact OD1-NZ 3.26Å; D202-S206 WeakPolarHBondContact O-CB 3.28Å; D202-S206 PolarHBondContact O-N 3.47Å |
| 203 | I | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.5 | -44 | 171.8 | -71 | 162.5 | 0 | 0 | 0 | 111.5 | I140 L159 A199 L200 L201 K205 C209 F212 Q213 C216 | I140-I203 HydrophobicContact CD1-CD1 3.86Å; I140-I203 HydrophobicContact CD1-CG1 3.68Å; I140-I203 HydrophobicContact CG1-CD1 4.29Å; I140-I203 HydrophobicContact CG1-CG1 3.87Å; L159-I203 HydrophobicContact CD1-CD1 3.99Å; L159-I203 HydrophobicContact CD2-CD1 3.78Å; L159-I203 HydrophobicContact CG-CD1 4.49Å; A199-I203 WeakPolarHBondContact O-CG1 3.46Å; A199-I203 PolarHBondContact O-N 2.84Å; L200-I203 PolarHBondContact O-N 3.27Å; L201-I203 PolarHBondContact O-N 3.18Å; I203-K205 PolarHBondContact O-N 3.02Å; I203-C209 HydrophobicContact CB-CB 4.38Å; I203-C209 HydrophobicContact CG1-CB 4.44Å; I203-C209 HydrophobicContact CG2-CB 4.08Å; I203-F212 HydrophobicContact CG2-CB 4.15Å; I203-Q213 HydrophobicContact CG2-CG 4.25Å; I203-Q213 WeakPolarHBondContact O-CG 3.28Å; I203-Q213 PolarHBondContact O-NE2 3.43Å; I203-C216 HydrophobicContact CG2-CB 3.76Å |
| 204 | A | 94.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.7 | -39.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L200 L201 Q213 L351 L359 | L200-A204 WeakPolarHBondContact O-CB 3.46Å; L200-A204 PolarHBondContact O-N 3.25Å; L201-A204 PolarHBondContact O-N 2.96Å; A204-Q213 PolarHBondContact O-NE2 3.43Å; A204-L351 HydrophobicContact CB-CD1 3.65Å; A204-L359 HydrophobicContact CB-CB 4.45Å; A204-L359 HydrophobicContact CB-CD2 4.49Å |
| 205 | K | 92.8 | Very high | 93 | Very high | 111 Ų | 111 | 36.1 Ų | 36.1 | 48% | 0.483 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -80 | -25.8 | 179.8 | 81.3 | -165.3 | -169.6 | -166.3 | 0 | 114.1 | L201 D202 I203 | L201-K205 WeakPolarHBondContact O-CG 3.45Å; L201-K205 PolarHBondContact O-N 2.66Å; D202-K205 VanDerWaalsContact OD1-CE 3.29Å; D202-K205 WeakPolarHBondContact OD1-CE 3.39Å; D202-K205 IonicContact OD1-NZ 3.93Å; D202-K205 PolarHBondContact OD1-NZ 3.26Å; I203-K205 PolarHBondContact O-N 3.02Å |
| 206 | S | 91.4 | Very high | 93 | Very high | 29 Ų | 29 | 32.3 Ų | 32.3 | 20% | 0.203 | 16% | 0.16 | C | C | . | . | trans | -87.9 | 118.5 | -170.6 | -177.3 | 0 | 0 | 0 | 0 | 113.4 | D202 S208 C209 Q213 | D202-S206 WeakPolarHBondContact O-CB 3.28Å; D202-S206 PolarHBondContact O-N 3.47Å; S206-S208 PolarHBondContact O-N 2.99Å; S206-S208 PolarHBondContact OG-N 2.79Å; S206-C209 PolarHBondContact O-N 3.39Å; S206-Q213 PolarHBondContact O-NE2 2.89Å | ||
| 207 | H | 89.3 | Confident | 92.9 | Very high | 138 Ų | 138 | 32.4 Ų | 32.4 | 64% | 0.639 | 16% | 0.16 | S | C | * | . | G | 310 helix | trans | -58.8 | -29.5 | 170.8 | -62.1 | -64.4 | 0 | 0 | 0 | 112.9 | C209 R210 Q358 | H207-C209 PolarHBondContact O-N 2.84Å; H207-R210 PolarHBondContact O-N 2.94Å; H207-Q358 PolarHBondContact CE1-OE1 3.23Å; H207-Q358 VanDerWaalsContact ND1-CD 3.25Å; H207-Q358 PolarHBondContact ND1-NE2 3.23Å; H207-Q358 PolarHBondContact ND1-OE1 3.4Å |
| 208 | S | 89.2 | Confident | 92.7 | Very high | 30 Ų | 30 | 33 Ų | 33 | 21% | 0.21 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -65.7 | -15 | 175.3 | -64.1 | 0 | 0 | 0 | 0 | 113.2 | R147 S206 | R147-S208 PolarHBondContact NH1-O 2.93Å; S206-S208 PolarHBondContact O-N 2.99Å; S206-S208 PolarHBondContact OG-N 2.79Å |
| 209 | C | 90.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -106 | 18.1 | -177.2 | -64.4 | 0 | 0 | 0 | 0 | 113.2 | R147 I203 S206 H207 D211 F212 Q213 | R147-C209 PolarHBondContact NH2-SG 3.4Å; I203-C209 HydrophobicContact CB-CB 4.38Å; I203-C209 HydrophobicContact CG1-CB 4.44Å; I203-C209 HydrophobicContact CG2-CB 4.08Å; S206-C209 PolarHBondContact O-N 3.39Å; H207-C209 PolarHBondContact O-N 2.84Å; C209-D211 PolarHBondContact O-N 3.07Å; C209-D211 VanDerWaalsContact O-N 3.15Å; C209-F212 HydrophobicContact CB-CD2 4.17Å; C209-F212 PolarHBondContact O-N 2.83Å; C209-Q213 PolarHBondContact O-N 3.35Å; C209-Q213 VanDerWaalsContact O-N 3.15Å |
| 210 | R | 90.5 | Very high | 92.6 | Very high | 95 Ų | 95 | 30.7 Ų | 30.7 | 36% | 0.358 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -45.6 | -46.1 | -178.9 | -172.1 | -173.4 | 177.3 | 167.4 | 2.3 | 113.4 | H207 F212 Q213 T362 | H207-R210 PolarHBondContact O-N 2.94Å; R210-F212 PolarHBondContact O-N 3.03Å; R210-Q213 WeakPolarHBondContact O-CB 3.35Å; R210-Q213 PolarHBondContact O-N 2.86Å; R210-T362 HydrophobicContact CG-CG2 3.52Å; R210-T362 WeakPolarHBondContact O-CG2 3.32Å |
| 211 | D | 89.2 | Confident | 92.4 | Very high | 113 Ų | 113 | 31.6 Ų | 31.6 | 60% | 0.604 | 15% | 0.154 | S | C | * | . | H | α-helix | trans | -67.7 | -18.8 | -175.7 | -48.2 | -38.7 | 0 | 0 | 0 | 113 | C209 | C209-D211 PolarHBondContact O-N 3.07Å; C209-D211 VanDerWaalsContact O-N 3.15Å |
| 212 | F | 92.8 | Very high | 92.2 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 1% | 0.013 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -101.2 | -13.5 | 178.9 | -48.4 | -50.3 | 0 | 0 | 0 | 113.2 | V152 I155 Q156 L159 I203 C209 R210 F214 V215 C216 | V152-F212 HydrophobicContact CG1-CE1 4.16Å; V152-F212 HydrophobicContact CG1-CZ 4.08Å; I155-F212 HydrophobicContact CB-CE1 4.09Å; I155-F212 HydrophobicContact CB-CE2 4.24Å; I155-F212 HydrophobicContact CB-CZ 3.91Å; I155-F212 HydrophobicContact CD1-CD2 4.44Å; I155-F212 HydrophobicContact CD1-CE2 3.51Å; I155-F212 HydrophobicContact CD1-CZ 3.62Å; I155-F212 HydrophobicContact CG1-CE2 4.46Å; I155-F212 HydrophobicContact CG1-CZ 4.4Å; I155-F212 HydrophobicContact CG2-CD1 3.78Å; I155-F212 HydrophobicContact CG2-CD2 3.74Å; I155-F212 HydrophobicContact CG2-CE1 3.77Å; I155-F212 HydrophobicContact CG2-CE2 3.72Å; I155-F212 HydrophobicContact CG2-CG 3.77Å; I155-F212 HydrophobicContact CG2-CZ 3.74Å; Q156-F212 HydrophobicContact CG-CD1 4.28Å; Q156-F212 HydrophobicContact CG-CE1 3.87Å; L159-F212 HydrophobicContact CD1-CB 3.74Å; L159-F212 HydrophobicContact CD1-CD1 4.44Å; L159-F212 HydrophobicContact CD1-CG 4.18Å; I203-F212 HydrophobicContact CG2-CB 4.15Å; C209-F212 HydrophobicContact CB-CD2 4.17Å; C209-F212 PolarHBondContact O-N 2.83Å; R210-F212 PolarHBondContact O-N 3.03Å; F212-F214 VanDerWaalsContact C-N 3.25Å; F212-F214 PolarHBondContact O-N 3.23Å; F212-V215 PolarHBondContact O-N 3.02Å; F212-C216 WeakPolarHBondContact O-CB 3.44Å; F212-C216 PolarHBondContact O-N 3.13Å |
| 213 | Q | 92.5 | Very high | 92 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.1 | -33.7 | -177.4 | -81.9 | 171.7 | -7.2 | 0 | 0 | 112.2 | I203 A204 S206 C209 R210 C216 L217 L359 T362 | I203-Q213 HydrophobicContact CG2-CG 4.25Å; I203-Q213 WeakPolarHBondContact O-CG 3.28Å; I203-Q213 PolarHBondContact O-NE2 3.43Å; A204-Q213 PolarHBondContact O-NE2 3.43Å; S206-Q213 PolarHBondContact O-NE2 2.89Å; C209-Q213 PolarHBondContact O-N 3.35Å; C209-Q213 VanDerWaalsContact O-N 3.15Å; R210-Q213 WeakPolarHBondContact O-CB 3.35Å; R210-Q213 PolarHBondContact O-N 2.86Å; Q213-C216 WeakPolarHBondContact O-CB 3.36Å; Q213-C216 PolarHBondContact O-N 3.48Å; Q213-L217 PolarHBondContact O-N 3.11Å; Q213-L359 HydrophobicContact CB-CD1 3.89Å; Q213-L359 HydrophobicContact CG-CD1 4.24Å; Q213-L359 WeakPolarHBondContact O-CD1 3.46Å; Q213-T362 HydrophobicContact CB-CG2 3.99Å; Q213-T362 VanDerWaalsContact OE1-CB 3.26Å; Q213-T362 PolarHBondContact OE1-OG1 3.18Å |
| 214 | F | 89.3 | Confident | 91.6 | Very high | 30 Ų | 30 | 30.1 Ų | 30.1 | 13% | 0.132 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.1 | -51.3 | 174 | -177.3 | -110.7 | 0 | 0 | 0 | 112.3 | F212 C216 L217 E218 W376 A377 C380 | F212-F214 VanDerWaalsContact C-N 3.25Å; F212-F214 PolarHBondContact O-N 3.23Å; F214-C216 PolarHBondContact O-N 3.31Å; F214-L217 WeakPolarHBondContact O-CB 3.42Å; F214-L217 PolarHBondContact O-N 2.87Å; F214-E218 HydrophobicContact CD1-CG 4.48Å; F214-E218 HydrophobicContact CE1-CG 3.97Å; F214-E218 WeakPolarHBondContact CE1-OE1 3.49Å; F214-E218 HydrophobicContact CE2-CG 4.48Å; F214-E218 HydrophobicContact CZ-CG 3.95Å; F214-E218 WeakPolarHBondContact O-CG 3.44Å; F214-E218 PolarHBondContact O-N 3.35Å; F214-E218 VanDerWaalsContact O-N 3.13Å; F214-W376 AromaticContact CZ-CD1 3.99Å; F214-A377 HydrophobicContact CD2-CB 4.18Å; F214-A377 HydrophobicContact CE1-CB 4.43Å; F214-A377 VanDerWaalsContact CE2-CA 3.42Å; F214-A377 HydrophobicContact CE2-CB 3.39Å; F214-A377 VanDerWaalsContact CZ-CA 3.46Å; F214-A377 HydrophobicContact CZ-CB 3.53Å; F214-C380 HydrophobicContact CE2-CB 4.39Å |
| 215 | V | 92 | Very high | 90.8 | Very high | 28 Ų | 28 | 32.2 Ų | 32.2 | 17% | 0.17 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63 | -33.6 | 177.3 | -172.7 | 0 | 0 | 0 | 0 | 111.2 | L159 F212 L217 E218 I219 | L159-V215 HydrophobicContact CB-CG1 3.79Å; F212-V215 PolarHBondContact O-N 3.02Å; V215-L217 VanDerWaalsContact C-N 3.34Å; V215-L217 PolarHBondContact O-N 3.18Å; V215-E218 WeakPolarHBondContact O-CB 3.24Å; V215-E218 PolarHBondContact O-N 3.24Å; V215-I219 HydrophobicContact CG1-CD1 4.45Å; V215-I219 WeakPolarHBondContact O-CG1 3.46Å; V215-I219 PolarHBondContact O-N 3.34Å |
| 216 | C | 94.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.3 | -42.4 | 171.5 | -168.5 | 0 | 0 | 0 | 0 | 112 | I203 F212 Q213 F214 E218 I219 I220 L359 | I203-C216 HydrophobicContact CG2-CB 3.76Å; F212-C216 WeakPolarHBondContact O-CB 3.44Å; F212-C216 PolarHBondContact O-N 3.13Å; Q213-C216 WeakPolarHBondContact O-CB 3.36Å; Q213-C216 PolarHBondContact O-N 3.48Å; F214-C216 PolarHBondContact O-N 3.31Å; C216-E218 VanDerWaalsContact C-N 3.32Å; C216-E218 PolarHBondContact O-N 3.5Å; C216-I219 PolarHBondContact O-N 2.9Å; C216-I220 WeakPolarHBondContact O-CB 3.45Å; C216-I220 WeakPolarHBondContact O-CD1 3.31Å; C216-I220 WeakPolarHBondContact O-CG1 3.35Å; C216-I220 PolarHBondContact O-N 3.19Å; C216-L359 HydrophobicContact CB-CD1 4.28Å |
| 217 | L | 93.5 | Very high | 88.7 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.8 | -35.8 | 174.9 | -173.6 | 62.7 | 0 | 0 | 0 | 112 | Q213 F214 V215 I220 R221 L359 M360 C363 C380 A384 | Q213-L217 PolarHBondContact O-N 3.11Å; F214-L217 WeakPolarHBondContact O-CB 3.42Å; F214-L217 PolarHBondContact O-N 2.87Å; V215-L217 VanDerWaalsContact C-N 3.34Å; V215-L217 PolarHBondContact O-N 3.18Å; L217-I220 PolarHBondContact O-N 2.94Å; L217-R221 PolarHBondContact O-N 3.34Å; L217-L359 HydrophobicContact CB-CD1 4.23Å; L217-L359 HydrophobicContact CB-CG 4.48Å; L217-L359 HydrophobicContact CD1-CD2 4.04Å; L217-L359 HydrophobicContact CD1-CG 4.46Å; L217-M360 HydrophobicContact CD1-SD 4.17Å; L217-M360 HydrophobicContact CD2-SD 4.1Å; L217-C363 HydrophobicContact CD2-CB 4.19Å; L217-C380 HydrophobicContact CD2-CB 4.15Å; L217-C380 HydrophobicContact CG-CB 4.42Å; L217-A384 HydrophobicContact CD1-CB 4.02Å |
| 218 | E | 92.1 | Very high | 87.6 | Confident | 15 Ų | 15 | 24 Ų | 24 | 7% | 0.07 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.5 | -40.3 | 174.7 | -56.7 | -179.1 | 120.1 | 0 | 0 | 112.5 | K163 F214 V215 C216 R221 A222 W376 | K163-E218 HydrophobicContact CD-CB 3.96Å; K163-E218 VanDerWaalsContact CD-OE2 3.3Å; K163-E218 WeakPolarHBondContact CD-OE2 3.44Å; K163-E218 VanDerWaalsContact CE-CD 3.48Å; K163-E218 WeakPolarHBondContact CE-OE1 3.36Å; K163-E218 VanDerWaalsContact CE-OE2 3.27Å; K163-E218 WeakPolarHBondContact CE-OE2 3.42Å; K163-E218 HydrophobicContact CG-CB 4.14Å; K163-E218 IonicContact NZ-OE1 3.94Å; K163-E218 PolarHBondContact NZ-OE1 2.97Å; K163-E218 IonicContact NZ-OE2 2.63Å; K163-E218 PolarHBondContact NZ-OE2 3.5Å; F214-E218 HydrophobicContact CD1-CG 4.48Å; F214-E218 HydrophobicContact CE1-CG 3.97Å; F214-E218 WeakPolarHBondContact CE1-OE1 3.49Å; F214-E218 HydrophobicContact CE2-CG 4.48Å; F214-E218 HydrophobicContact CZ-CG 3.95Å; F214-E218 WeakPolarHBondContact O-CG 3.44Å; F214-E218 PolarHBondContact O-N 3.35Å; F214-E218 VanDerWaalsContact O-N 3.13Å; V215-E218 WeakPolarHBondContact O-CB 3.24Å; V215-E218 PolarHBondContact O-N 3.24Å; C216-E218 VanDerWaalsContact C-N 3.32Å; C216-E218 PolarHBondContact O-N 3.5Å; E218-R221 PolarHBondContact O-N 2.86Å; E218-A222 PolarHBondContact O-N 3.34Å; E218-W376 PolarHBondContact OE1-NE1 2.87Å |
| 219 | I | 94.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.5 | -44.9 | 173 | -64.3 | 165.7 | 0 | 0 | 0 | 109.9 | L159 C162 K163 L166 L200 V215 C216 R221 A222 L223 | L159-I219 HydrophobicContact CB-CD1 4Å; L159-I219 HydrophobicContact CD2-CD1 3.76Å; L159-I219 HydrophobicContact CG-CD1 4.46Å; L159-I219 WeakPolarHBondContact O-CD1 3.22Å; C162-I219 HydrophobicContact CB-CD1 4.39Å; K163-I219 HydrophobicContact CB-CG1 3.84Å; L166-I219 HydrophobicContact CD1-CG2 3.96Å; L200-I219 HydrophobicContact CD1-CG2 3.64Å; L200-I219 HydrophobicContact CD2-CD1 3.93Å; L200-I219 HydrophobicContact CD2-CG2 4.27Å; V215-I219 HydrophobicContact CG1-CD1 4.45Å; V215-I219 WeakPolarHBondContact O-CG1 3.46Å; V215-I219 PolarHBondContact O-N 3.34Å; C216-I219 PolarHBondContact O-N 2.9Å; I219-R221 VanDerWaalsContact C-N 3.32Å; I219-R221 PolarHBondContact O-N 2.7Å; I219-A222 PolarHBondContact O-N 2.76Å; I219-A222 VanDerWaalsContact O-N 3.16Å; I219-L223 HydrophobicContact CG2-CD1 4.23Å; I219-L223 HydrophobicContact CG2-CG 4.36Å; I219-L223 WeakPolarHBondContact O-CG 3.36Å; I219-L223 PolarHBondContact O-N 2.85Å |
| 220 | I | 94.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.7 | -40.9 | 177.4 | -69.7 | 161.8 | 0 | 0 | 0 | 111.2 | C216 L217 L223 L224 F347 L351 L359 W383 F388 | C216-I220 WeakPolarHBondContact O-CB 3.45Å; C216-I220 WeakPolarHBondContact O-CD1 3.31Å; C216-I220 WeakPolarHBondContact O-CG1 3.35Å; C216-I220 PolarHBondContact O-N 3.19Å; L217-I220 PolarHBondContact O-N 2.94Å; I220-L223 PolarHBondContact O-N 3.1Å; I220-L224 HydrophobicContact CG2-CD1 3.92Å; I220-L224 WeakPolarHBondContact O-CB 3.09Å; I220-L224 WeakPolarHBondContact O-CG 3.27Å; I220-L224 PolarHBondContact O-N 3.27Å; I220-F347 HydrophobicContact CD1-CZ 4.28Å; I220-F347 HydrophobicContact CG1-CE1 3.96Å; I220-F347 HydrophobicContact CG1-CZ 3.85Å; I220-F347 HydrophobicContact CG2-CE1 4.5Å; I220-L351 HydrophobicContact CD1-CD1 4.32Å; I220-L351 HydrophobicContact CD1-CD2 3.84Å; I220-L351 HydrophobicContact CG2-CD2 4.21Å; I220-L359 HydrophobicContact CD1-CD2 3.63Å; I220-W383 HydrophobicContact CG2-CZ3 4.49Å; I220-F388 HydrophobicContact CG2-CE2 4.01Å; I220-F388 HydrophobicContact CG2-CZ 3.75Å |
| 221 | R | 91.7 | Very high | 82.7 | Confident | 20 Ų | 20 | 22.4 Ų | 22.4 | 8% | 0.075 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.7 | -54.2 | 171 | -177.9 | 172.1 | 175.1 | -171.1 | -1.8 | 110.2 | L217 E218 I219 L223 L224 T225 W376 E379 C380 W383 | L217-R221 PolarHBondContact O-N 3.34Å; E218-R221 PolarHBondContact O-N 2.86Å; I219-R221 VanDerWaalsContact C-N 3.32Å; I219-R221 PolarHBondContact O-N 2.7Å; R221-L223 VanDerWaalsContact C-N 3.32Å; R221-L223 PolarHBondContact O-N 3.31Å; R221-L224 CarbonylContact O-C 3.3Å; R221-L224 PolarHBondContact O-N 2.89Å; R221-T225 PolarHBondContact O-N 3.31Å; R221-T225 PolarHBondContact O-OG1 3.08Å; R221-W376 VanDerWaalsContact NH1-CH2 3.34Å; R221-E379 IonicContact CZ-OE2 3.54Å; R221-E379 IonicContact NH1-OE2 3.09Å; R221-E379 IonicContact NH2-OE2 3.69Å; R221-E379 PolarHBondContact NH2-OE2 3.19Å; R221-C380 PolarHBondContact NH1-SG 3.47Å; R221-W383 HydrophobicContact CB-CD2 4.2Å; R221-W383 HydrophobicContact CB-CE3 3.78Å; R221-W383 HydrophobicContact CB-CH2 4.24Å; R221-W383 HydrophobicContact CB-CZ3 3.81Å; R221-W383 HydrophobicContact CG-CD2 3.72Å; R221-W383 HydrophobicContact CG-CE3 3.82Å; R221-W383 HydrophobicContact CG-CG 4.19Å; R221-W383 HydrophobicContact CG-CZ2 4.42Å; R221-W383 HydrophobicContact CG-CZ3 4.26Å |
| 222 | A | 90 | Very high | 80.8 | Confident | 13 Ų | 13 | 17.4 Ų | 17.4 | 11% | 0.107 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.3 | -33.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L166 E218 I219 L224 | L166-A222 HydrophobicContact CB-CB 3.6Å; L166-A222 HydrophobicContact CD1-CB 4.39Å; E218-A222 PolarHBondContact O-N 3.34Å; I219-A222 PolarHBondContact O-N 2.76Å; I219-A222 VanDerWaalsContact O-N 3.16Å; A222-L224 VanDerWaalsContact C-N 3.26Å; A222-L224 PolarHBondContact O-N 3.29Å |
| 223 | L | 91.2 | Very high | 78.7 | Confident | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.9 | -29.9 | 172.8 | -73.8 | 172.5 | 0 | 0 | 0 | 113 | L166 I188 M191 L197 L200 I219 I220 R221 L344 F347 | L166-L223 HydrophobicContact CD1-CD2 3.56Å; L166-L223 HydrophobicContact CD1-CG 3.78Å; L166-L223 HydrophobicContact CD2-CD2 3.98Å; L166-L223 HydrophobicContact CG-CD2 4.44Å; I188-L223 HydrophobicContact CG1-CD2 3.85Å; I188-L223 HydrophobicContact CG2-CD2 4.49Å; M191-L223 HydrophobicContact CE-CD2 4.28Å; M191-L223 HydrophobicContact SD-CD2 4.19Å; L197-L223 HydrophobicContact CD2-CD1 3.75Å; L197-L223 HydrophobicContact CD2-CD2 4.28Å; L200-L223 HydrophobicContact CD1-CD1 4.1Å; I219-L223 HydrophobicContact CG2-CD1 4.23Å; I219-L223 HydrophobicContact CG2-CG 4.36Å; I219-L223 WeakPolarHBondContact O-CG 3.36Å; I219-L223 PolarHBondContact O-N 2.85Å; I220-L223 PolarHBondContact O-N 3.1Å; R221-L223 VanDerWaalsContact C-N 3.32Å; R221-L223 PolarHBondContact O-N 3.31Å; L223-L344 HydrophobicContact CB-CD2 4.28Å; L223-F347 HydrophobicContact CD1-CE1 4.25Å; L223-F347 HydrophobicContact CD1-CZ 4.47Å |
| 224 | L | 88.2 | Confident | 76.7 | Confident | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -113.7 | -9.7 | -167 | -64.8 | 169.6 | 0 | 0 | 0 | 113.8 | I220 R221 A222 S226 Q227 L344 W383 F387 F388 | I220-L224 HydrophobicContact CG2-CD1 3.92Å; I220-L224 WeakPolarHBondContact O-CB 3.09Å; I220-L224 WeakPolarHBondContact O-CG 3.27Å; I220-L224 PolarHBondContact O-N 3.27Å; R221-L224 CarbonylContact O-C 3.3Å; R221-L224 PolarHBondContact O-N 2.89Å; A222-L224 VanDerWaalsContact C-N 3.26Å; A222-L224 PolarHBondContact O-N 3.29Å; L224-S226 VanDerWaalsContact C-N 3.29Å; L224-S226 PolarHBondContact O-N 3Å; L224-S226 VanDerWaalsContact O-N 3.09Å; L224-Q227 PolarHBondContact O-N 2.73Å; L224-L344 HydrophobicContact CD2-CB 4.28Å; L224-L344 HydrophobicContact CD2-CD1 4.36Å; L224-L344 HydrophobicContact CD2-CD2 4.12Å; L224-L344 HydrophobicContact CD2-CG 4.49Å; L224-W383 HydrophobicContact CB-CH2 3.86Å; L224-W383 HydrophobicContact CB-CZ2 3.77Å; L224-W383 HydrophobicContact CD1-CH2 3.97Å; L224-F387 HydrophobicContact CB-CE2 4.33Å; L224-F387 HydrophobicContact CB-CZ 4.17Å; L224-F387 HydrophobicContact CD1-CD1 4.28Å; L224-F387 HydrophobicContact CD1-CE1 3.74Å; L224-F387 HydrophobicContact CD1-CZ 4.1Å; L224-F387 HydrophobicContact CD2-CE1 4.39Å; L224-F387 HydrophobicContact CD2-CZ 4.01Å; L224-F387 HydrophobicContact CG-CE1 4.44Å; L224-F387 HydrophobicContact CG-CZ 4.32Å; L224-F388 HydrophobicContact CD1-CZ 3.93Å |
| 225 | T | 77.5 | Confident | 74.8 | Confident | 43 Ų | 43 | 28 Ų | 28 | 26% | 0.264 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -44 | -45.6 | -175.9 | -60.2 | 0 | 0 | 0 | 0 | 114.7 | R221 E331 | R221-T225 PolarHBondContact O-N 3.31Å; R221-T225 PolarHBondContact O-OG1 3.08Å; T225-E331 VanDerWaalsContact CG2-CD 3.44Å; T225-E331 HydrophobicContact CG2-CG 4.41Å; T225-E331 WeakPolarHBondContact CG2-OE1 3.41Å |
| 226 | S | 67.9 | Low | 72.8 | Confident | 47 Ų | 47 | 34.1 Ų | 34.1 | 33% | 0.329 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -0.5 | -175.9 | -51.5 | 0 | 0 | 0 | 0 | 114.8 | L224 K334 | L224-S226 VanDerWaalsContact C-N 3.29Å; L224-S226 PolarHBondContact O-N 3Å; L224-S226 VanDerWaalsContact O-N 3.09Å; S226-K334 PolarHBondContact O-N 3.32Å |
| 227 | Q | 71.3 | Confident | 70.6 | Confident | 19 Ų | 19 | 41.6 Ų | 41.6 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | trans | -92.1 | 129.5 | -174.8 | -53.7 | -57.2 | -44.8 | 0 | 0 | 111.3 | L224 S336 L344 | L224-Q227 PolarHBondContact O-N 2.73Å; Q227-S336 PolarHBondContact NE2-OG 3.12Å; Q227-L344 HydrophobicContact CG-CD1 3.82Å | ||
| 228 | V | 66.3 | Low | 68.3 | Low | 39 Ų | 39 | 46 Ų | 46 | 24% | 0.236 | 25% | 0.248 | C | C | . | . | trans | -89.6 | 132.8 | 167 | -164.5 | 0 | 0 | 0 | 0 | 108.5 | C230 D231 E333 | V228-C230 WeakPolarHBondContact CG1-SG 3.48Å; V228-C230 PolarHBondContact O-N 3.03Å; V228-D231 PolarHBondContact O-N 3.33Å; V228-E333 HydrophobicContact CG2-CB 3.94Å; V228-E333 HydrophobicContact CG2-CG 3.79Å | ||
| 229 | T | 59.6 | Low | 66.3 | Low | 12 Ų | 12 | 51.4 Ų | 51.4 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -56.8 | -24.8 | -176.5 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | F387 R390 F391 Y394 | T229-F387 HydrophobicContact CG2-CD2 4.14Å; T229-F387 HydrophobicContact CG2-CE2 3.83Å; T229-F387 HydrophobicContact CG2-CZ 4.1Å; T229-R390 HydrophobicContact CG2-CB 4.42Å; T229-R390 HydrophobicContact CG2-CG 4.24Å; T229-R390 WeakPolarHBondContact OG1-CD 3.48Å; T229-F391 HydrophobicContact CG2-CB 4.23Å; T229-Y394 WeakPolarHBondContact O-CD1 3.45Å; T229-Y394 VanDerWaalsContact O-CE1 3.31Å; T229-Y394 WeakPolarHBondContact O-CE1 3.35Å |
| 230 | C | 54 | Low | 64.7 | Low | 63 Ų | 63 | 53.6 Ų | 53.6 | 43% | 0.426 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -83.1 | -12.8 | -179.9 | 63.2 | 0 | 0 | 0 | 0 | 115.6 | V228 C232 Y394 | V228-C230 WeakPolarHBondContact CG1-SG 3.48Å; V228-C230 PolarHBondContact O-N 3.03Å; C230-C232 PolarHBondContact O-N 2.92Å; C230-Y394 WeakPolarHBondContact CA-OH 3.31Å; C230-Y394 HydrophobicContact CB-CE2 3.91Å; C230-Y394 PolarHBondContact O-OH 3.06Å |
| 231 | D | 53.4 | Low | 63.3 | Low | 17 Ų | 17 | 56.7 Ų | 56.7 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -81.5 | 1 | 178.8 | -82.1 | -39.9 | 0 | 0 | 0 | 112.6 | V228 R251 L335 R341 | V228-D231 PolarHBondContact O-N 3.33Å; D231-R251 IonicContact OD1-CZ 2.8Å; D231-R251 IonicContact OD1-NH1 3.39Å; D231-R251 PolarHBondContact OD1-NH1 3.42Å; D231-R251 IonicContact OD1-NH2 2.66Å; D231-L335 HydrophobicContact CB-CD1 3.64Å; D231-R341 WeakPolarHBondContact O-CD 3.47Å; D231-R341 PolarHBondContact O-NE 2.84Å; D231-R341 PolarHBondContact O-NH2 3.34Å |
| 232 | C | 50 | Low | 62.1 | Low | 9 Ų | 9 | 61.9 Ų | 61.9 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -105.9 | 14.1 | -174.4 | -55.7 | 0 | 0 | 0 | 0 | 113.4 | C230 F234 Y395 | C230-C232 PolarHBondContact O-N 2.92Å; C232-F234 PolarHBondContact O-N 3.48Å; C232-Y395 VanDerWaalsContact C-OH 3.24Å; C232-Y395 WeakPolarHBondContact CB-OH 3.35Å; C232-Y395 PolarHBondContact O-OH 2.98Å |
| 233 | Q | 48.4 | Very low | 61 | Low | 105 Ų | 105 | 65.7 Ų | 65.7 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | trans | -68.3 | 118.9 | 177.2 | -132.4 | 169.3 | 8.3 | 0 | 0 | 111.1 | Y394 | Q233-Y394 HydrophobicContact CB-CE1 4.35Å; Q233-Y394 VanDerWaalsContact CB-OH 3.22Å; Q233-Y394 WeakPolarHBondContact CB-OH 3.4Å; Q233-Y394 HydrophobicContact CG-CE1 4.09Å; Q233-Y394 WeakPolarHBondContact CG-OH 3.23Å; Q233-Y394 PolarHBondContact NE2-OH 2.63Å; Q233-Y394 PolarHBondContact OE1-OH 2.73Å | ||
| 234 | F | 51.2 | Low | 59.9 | Low | 29 Ų | 29 | 66.4 Ų | 66.4 | 13% | 0.127 | 36% | 0.361 | C | S | . | . | trans | -141.4 | 127.3 | 169 | -52.1 | -58.8 | 0 | 0 | 0 | 108.1 | C232 E236 E244 F338 R341 V342 | C232-F234 PolarHBondContact O-N 3.48Å; F234-E236 PolarHBondContact O-N 3.19Å; F234-E244 WeakPolarHBondContact CE1-OE2 3.37Å; F234-F338 HydrophobicContact CD1-CD2 4.01Å; F234-F338 AromaticContact CD1-CE2 3.61Å; F234-F338 HydrophobicContact CD1-CE2 3.61Å; F234-F338 HydrophobicContact CD2-CE2 4.18Å; F234-F338 AromaticContact CE1-CD2 3.3Å; F234-F338 HydrophobicContact CE1-CD2 3.3Å; F234-F338 AromaticContact CE1-CE2 3.4Å; F234-F338 HydrophobicContact CE1-CE2 3.4Å; F234-F338 VanDerWaalsContact CE1-CE2 3.4Å; F234-F338 HydrophobicContact CE2-CD2 4.09Å; F234-F338 AromaticContact CE2-CE2 3.98Å; F234-F338 HydrophobicContact CE2-CE2 3.98Å; F234-F338 HydrophobicContact CG-CE2 4.02Å; F234-F338 AromaticContact CZ-CD2 3.34Å; F234-F338 HydrophobicContact CZ-CD2 3.34Å; F234-F338 AromaticContact CZ-CE2 3.59Å; F234-F338 HydrophobicContact CZ-CE2 3.59Å; F234-F338 HydrophobicContact CZ-CG 4.46Å; F234-R341 VanDerWaalsContact CE1-NH2 3.34Å; F234-R341 HydrophobicContact CE2-CB 4.22Å; F234-R341 HydrophobicContact CZ-CB 4.11Å; F234-V342 HydrophobicContact CD2-CG2 4.08Å; F234-V342 HydrophobicContact CE2-CG2 3.7Å; F234-V342 HydrophobicContact CZ-CG2 4.39Å | ||
| 235 | D | 48.4 | Very low | 59.1 | Low | 122 Ų | 122 | 68.9 Ų | 68.9 | 65% | 0.652 | 38% | 0.382 | S | S | * | . | trans | -68.9 | 116 | 166.4 | -84.2 | -24.8 | 0 | 0 | 0 | 108.7 | N237 | D235-N237 PolarHBondContact O-N 3.18Å; D235-N237 VanDerWaalsContact O-N 3.13Å | ||
| 236 | E | 50.1 | Low | 58.9 | Low | 156 Ų | 156 | 72 Ų | 72 | 73% | 0.729 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -10.1 | -175.5 | -65.6 | -178.6 | 173 | 0 | 0 | 113.3 | F234 K345 | F234-E236 PolarHBondContact O-N 3.19Å; E236-K345 WeakPolarHBondContact OE1-CE 3.49Å; E236-K345 IonicContact OE1-NZ 2.67Å; E236-K345 PolarHBondContact OE1-NZ 3Å |
| 237 | N | 49.8 | Very low | 59.1 | Low | 157 Ų | 157 | 74 Ų | 74 | 84% | 0.84 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 2.1 | -170.9 | -72.7 | -15.8 | 0 | 0 | 0 | 115.4 | D235 | D235-N237 PolarHBondContact O-N 3.18Å; D235-N237 VanDerWaalsContact O-N 3.13Å |
| 238 | N | 44.2 | Very low | 59.1 | Low | 94 Ų | 94 | 74 Ų | 74 | 50% | 0.503 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -131.1 | 160.4 | 177.1 | -85 | -43.2 | 0 | 0 | 0 | 111.5 | S240 | N238-S240 VanDerWaalsContact C-N 3.28Å; N238-S240 WeakPolarHBondContact O-CA 3.18Å; N238-S240 PolarHBondContact O-N 2.94Å |
| 239 | N | 49.4 | Very low | 59.4 | Low | 127 Ų | 127 | 77.9 Ų | 77.9 | 68% | 0.679 | 41% | 0.411 | S | S | * | . | trans | -58.5 | 80.7 | -174.7 | -70.6 | -15.2 | 0 | 0 | 0 | 113.1 | A241 E242 | N239-A241 VanDerWaalsContact C-N 3.31Å; N239-A241 PolarHBondContact O-N 3.39Å; N239-E242 PolarHBondContact O-N 3.4Å | ||
| 240 | S | 63 | Low | 60.2 | Low | 47 Ų | 47 | 81.9 Ų | 81.9 | 33% | 0.329 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.2 | -26.3 | -159.7 | 53.7 | 0 | 0 | 0 | 0 | 114.6 | N238 E244 | N238-S240 VanDerWaalsContact C-N 3.28Å; N238-S240 WeakPolarHBondContact O-CA 3.18Å; N238-S240 PolarHBondContact O-N 2.94Å; S240-E244 WeakPolarHBondContact O-CB 3.39Å; S240-E244 PolarHBondContact O-N 2.92Å |
| 241 | A | 64.3 | Low | 61 | Low | 64 Ų | 64 | 82.3 Ų | 82.3 | 53% | 0.529 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -70 | -35.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | N239 A245 | N239-A241 VanDerWaalsContact C-N 3.31Å; N239-A241 PolarHBondContact O-N 3.39Å; A241-A245 VanDerWaalsContact O-CB 3.29Å; A241-A245 WeakPolarHBondContact O-CB 3.44Å; A241-A245 PolarHBondContact O-N 2.81Å |
| 242 | E | 66.4 | Low | 61.9 | Low | 129 Ų | 129 | 85.5 Ų | 85.5 | 60% | 0.603 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -80.1 | -43.8 | -178.6 | -68.2 | -178.1 | 163.9 | 0 | 0 | 111.4 | N239 E244 A245 Q246 | N239-E242 PolarHBondContact O-N 3.4Å; E242-E244 VanDerWaalsContact C-N 3.33Å; E242-A245 PolarHBondContact O-N 3.33Å; E242-Q246 WeakPolarHBondContact O-CG 3.33Å; E242-Q246 PolarHBondContact O-N 2.86Å |
| 243 | Q | 66.9 | Low | 63.2 | Low | 94 Ų | 94 | 89.9 Ų | 89.9 | 44% | 0.439 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 175 | -68 | -178.5 | -13.2 | 0 | 0 | 111.4 | Q246 W247 | Q243-Q246 PolarHBondContact O-N 3.01Å; Q243-W247 WeakPolarHBondContact O-CB 3.41Å; Q243-W247 PolarHBondContact O-N 2.64Å |
| 244 | E | 68 | Low | 64.5 | Low | 17 Ų | 17 | 90.6 Ų | 90.6 | 8% | 0.079 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 172.6 | 177.3 | 62.9 | -165.4 | 0 | 0 | 111.6 | F234 S240 E242 Q246 W247 D248 F338 R341 | F234-E244 WeakPolarHBondContact CE1-OE2 3.37Å; S240-E244 WeakPolarHBondContact O-CB 3.39Å; S240-E244 PolarHBondContact O-N 2.92Å; E242-E244 VanDerWaalsContact C-N 3.33Å; E244-Q246 VanDerWaalsContact C-N 3.27Å; E244-Q246 PolarHBondContact O-N 3.33Å; E244-W247 PolarHBondContact O-N 3.47Å; E244-W247 VanDerWaalsContact O-N 3.13Å; E244-D248 WeakPolarHBondContact O-CB 2.97Å; E244-D248 PolarHBondContact O-N 3.3Å; E244-F338 HydrophobicContact CB-CD2 4.13Å; E244-F338 HydrophobicContact CB-CE2 4.39Å; E244-F338 HydrophobicContact CG-CB 4.05Å; E244-F338 HydrophobicContact CG-CD2 3.64Å; E244-F338 HydrophobicContact CG-CE2 4.37Å; E244-F338 HydrophobicContact CG-CG 4.07Å; E244-R341 IonicContact OE1-CZ 2.72Å; E244-R341 IonicContact OE1-NH1 3.38Å; E244-R341 PolarHBondContact OE1-NH1 3.46Å; E244-R341 IonicContact OE1-NH2 2.76Å; E244-R341 PolarHBondContact OE1-NH2 2.9Å; E244-R341 IonicContact OE2-NH2 2.8Å; E244-R341 PolarHBondContact OE2-NH2 3.01Å |
| 245 | A | 71.2 | Confident | 65.4 | Low | 56 Ų | 56 | 91.4 Ų | 91.4 | 46% | 0.463 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.4 | -40.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A241 E242 E249 | A241-A245 VanDerWaalsContact O-CB 3.29Å; A241-A245 WeakPolarHBondContact O-CB 3.44Å; A241-A245 PolarHBondContact O-N 2.81Å; E242-A245 PolarHBondContact O-N 3.33Å; A245-E249 VanDerWaalsContact O-CB 3.28Å; A245-E249 WeakPolarHBondContact O-CB 3.38Å; A245-E249 PolarHBondContact O-N 3.04Å |
| 246 | Q | 73.4 | Confident | 66.6 | Low | 109 Ų | 109 | 91.3 Ų | 91.3 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 173.2 | -70.7 | 172.5 | 13.7 | 0 | 0 | 112.2 | E242 Q243 E244 E249 Q250 | E242-Q246 WeakPolarHBondContact O-CG 3.33Å; E242-Q246 PolarHBondContact O-N 2.86Å; Q243-Q246 PolarHBondContact O-N 3.01Å; E244-Q246 VanDerWaalsContact C-N 3.27Å; E244-Q246 PolarHBondContact O-N 3.33Å; Q246-E249 PolarHBondContact O-N 3.19Å; Q246-Q250 WeakPolarHBondContact O-CB 3.42Å; Q246-Q250 VanDerWaalsContact O-CG 3.25Å; Q246-Q250 WeakPolarHBondContact O-CG 3.43Å; Q246-Q250 PolarHBondContact O-N 2.97Å |
| 247 | W | 70.9 | Confident | 67.9 | Low | 90 Ų | 90 | 86.4 Ų | 86.4 | 34% | 0.341 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.2 | -42.7 | 177.1 | 179.1 | 90.1 | 0 | 0 | 0 | 112.2 | Q243 E244 E249 Q250 R251 L335 | Q243-W247 WeakPolarHBondContact O-CB 3.41Å; Q243-W247 PolarHBondContact O-N 2.64Å; E244-W247 PolarHBondContact O-N 3.47Å; E244-W247 VanDerWaalsContact O-N 3.13Å; W247-E249 VanDerWaalsContact C-N 3.32Å; W247-E249 PolarHBondContact O-N 2.92Å; W247-Q250 PolarHBondContact O-N 2.86Å; W247-R251 VanDerWaalsContact O-CB 3.27Å; W247-R251 WeakPolarHBondContact O-CB 3.27Å; W247-R251 PolarHBondContact O-N 3.09Å; W247-L335 HydrophobicContact CH2-CD1 4.25Å; W247-L335 HydrophobicContact CH2-CD2 4.29Å; W247-L335 HydrophobicContact CZ3-CD1 4.26Å; W247-L335 HydrophobicContact CZ3-CD2 3.89Å |
| 248 | D | 71.8 | Confident | 68.9 | Low | 19 Ų | 19 | 83.7 Ų | 83.7 | 10% | 0.102 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 173.8 | -114.1 | -2.2 | 0 | 0 | 0 | 111.2 | S179 E244 K252 | S179-D248 WeakPolarHBondContact CB-OD1 3.44Å; S179-D248 WeakPolarHBondContact CB-OD2 3.44Å; S179-D248 PolarHBondContact OG-OD1 3.08Å; S179-D248 VanDerWaalsContact OG-OD1 3.11Å; S179-D248 PolarHBondContact OG-OD2 2.87Å; E244-D248 WeakPolarHBondContact O-CB 2.97Å; E244-D248 PolarHBondContact O-N 3.3Å; D248-K252 WeakPolarHBondContact O-CB 3.43Å; D248-K252 VanDerWaalsContact O-CD 3.25Å; D248-K252 WeakPolarHBondContact O-CD 3.36Å; D248-K252 WeakPolarHBondContact O-CG 3.22Å; D248-K252 PolarHBondContact O-N 3.23Å; D248-K252 IonicContact OD2-NZ 3.11Å |
| 249 | E | 73.9 | Confident | 70.3 | Confident | 119 Ų | 119 | 83.9 Ų | 83.9 | 56% | 0.556 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -68.4 | -46.2 | 174.8 | -177.1 | 164.5 | -153.4 | 0 | 0 | 111.9 | A245 Q246 W247 R251 K252 L253 | A245-E249 VanDerWaalsContact O-CB 3.28Å; A245-E249 WeakPolarHBondContact O-CB 3.38Å; A245-E249 PolarHBondContact O-N 3.04Å; Q246-E249 PolarHBondContact O-N 3.19Å; W247-E249 VanDerWaalsContact C-N 3.32Å; W247-E249 PolarHBondContact O-N 2.92Å; E249-R251 VanDerWaalsContact C-N 3.32Å; E249-R251 PolarHBondContact O-N 3.36Å; E249-K252 WeakPolarHBondContact O-CB 3.4Å; E249-K252 PolarHBondContact O-N 2.99Å; E249-L253 HydrophobicContact CG-CD1 4.07Å; E249-L253 HydrophobicContact CG-CG 4.49Å; E249-L253 WeakPolarHBondContact O-CB 3.47Å; E249-L253 VanDerWaalsContact O-CG 3.31Å; E249-L253 WeakPolarHBondContact O-CG 3.37Å; E249-L253 PolarHBondContact O-N 3.28Å |
| 250 | Q | 75.6 | Confident | 71.6 | Confident | 97 Ų | 97 | 81.7 Ų | 81.7 | 45% | 0.453 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.4 | -41 | 173.3 | -74.2 | 175.2 | 16.7 | 0 | 0 | 111.7 | Q246 W247 L253 M254 | Q246-Q250 WeakPolarHBondContact O-CB 3.42Å; Q246-Q250 VanDerWaalsContact O-CG 3.25Å; Q246-Q250 WeakPolarHBondContact O-CG 3.43Å; Q246-Q250 PolarHBondContact O-N 2.97Å; W247-Q250 PolarHBondContact O-N 2.86Å; Q250-L253 PolarHBondContact O-N 3.36Å; Q250-M254 VanDerWaalsContact O-CB 3.3Å; Q250-M254 WeakPolarHBondContact O-CB 3.49Å; Q250-M254 PolarHBondContact O-N 3.21Å |
| 251 | R | 70.9 | Confident | 72.2 | Confident | 71 Ų | 71 | 82.7 Ų | 82.7 | 27% | 0.268 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.5 | -40.8 | 176.3 | -169.8 | 169.8 | 178.9 | 165.6 | -3.7 | 111.3 | D231 W247 E249 L255 | D231-R251 IonicContact OD1-CZ 2.8Å; D231-R251 IonicContact OD1-NH1 3.39Å; D231-R251 PolarHBondContact OD1-NH1 3.42Å; D231-R251 IonicContact OD1-NH2 2.66Å; W247-R251 VanDerWaalsContact O-CB 3.27Å; W247-R251 WeakPolarHBondContact O-CB 3.27Å; W247-R251 PolarHBondContact O-N 3.09Å; E249-R251 VanDerWaalsContact C-N 3.32Å; E249-R251 PolarHBondContact O-N 3.36Å; R251-L255 WeakPolarHBondContact O-CB 3.21Å; R251-L255 PolarHBondContact O-N 2.9Å |
| 252 | K | 72.8 | Confident | 72.5 | Confident | 84 Ų | 84 | 86 Ų | 86 | 37% | 0.365 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 171.9 | -74.9 | 158.7 | -169 | 151.2 | 0 | 111.8 | V178 S179 D248 E249 K256 | V178-K252 HydrophobicContact CG1-CD 4.3Å; V178-K252 HydrophobicContact CG1-CG 4Å; S179-K252 WeakPolarHBondContact OG-CE 3.36Å; S179-K252 PolarHBondContact OG-NZ 3.01Å; D248-K252 WeakPolarHBondContact O-CB 3.43Å; D248-K252 VanDerWaalsContact O-CD 3.25Å; D248-K252 WeakPolarHBondContact O-CD 3.36Å; D248-K252 WeakPolarHBondContact O-CG 3.22Å; D248-K252 PolarHBondContact O-N 3.23Å; D248-K252 IonicContact OD2-NZ 3.11Å; E249-K252 WeakPolarHBondContact O-CB 3.4Å; E249-K252 PolarHBondContact O-N 2.99Å; K252-K256 VanDerWaalsContact O-CB 3.27Å; K252-K256 WeakPolarHBondContact O-CB 3.33Å; K252-K256 PolarHBondContact O-N 2.97Å |
| 253 | L | 77.5 | Confident | 72.9 | Confident | 102 Ų | 102 | 85.6 Ų | 85.6 | 53% | 0.534 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 177.3 | -73 | 168.9 | 0 | 0 | 0 | 111.8 | E249 Q250 K256 S257 | E249-L253 HydrophobicContact CG-CD1 4.07Å; E249-L253 HydrophobicContact CG-CG 4.49Å; E249-L253 WeakPolarHBondContact O-CB 3.47Å; E249-L253 VanDerWaalsContact O-CG 3.31Å; E249-L253 WeakPolarHBondContact O-CG 3.37Å; E249-L253 PolarHBondContact O-N 3.28Å; Q250-L253 PolarHBondContact O-N 3.36Å; L253-K256 PolarHBondContact O-N 2.96Å; L253-S257 WeakPolarHBondContact O-CB 3.47Å; L253-S257 PolarHBondContact O-N 3.46Å |
| 254 | M | 74.5 | Confident | 73.4 | Confident | 119 Ų | 119 | 86.1 Ų | 86.1 | 59% | 0.586 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.8 | -46.4 | 176.2 | -172.9 | -168.1 | -60.6 | 0 | 0 | 111.3 | Q250 S257 Q258 | Q250-M254 VanDerWaalsContact O-CB 3.3Å; Q250-M254 WeakPolarHBondContact O-CB 3.49Å; Q250-M254 PolarHBondContact O-N 3.21Å; M254-S257 WeakPolarHBondContact O-CB 3.37Å; M254-S257 PolarHBondContact O-N 2.92Å; M254-Q258 WeakPolarHBondContact O-CG 3.49Å; M254-Q258 PolarHBondContact O-N 3.47Å |
| 255 | L | 70.6 | Confident | 73.5 | Confident | 46 Ų | 46 | 90 Ų | 90 | 24% | 0.241 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.5 | -40.6 | 177.1 | -176.6 | 71.1 | 0 | 0 | 0 | 111.8 | L177 V178 R251 S257 Q258 L259 | L177-L255 HydrophobicContact CB-CD1 3.93Å; L177-L255 HydrophobicContact CB-CD2 3.54Å; L177-L255 HydrophobicContact CB-CG 4.39Å; L177-L255 HydrophobicContact CD1-CD1 3.65Å; L177-L255 HydrophobicContact CG-CD1 4.45Å; V178-L255 HydrophobicContact CG2-CD2 3.77Å; R251-L255 WeakPolarHBondContact O-CB 3.21Å; R251-L255 PolarHBondContact O-N 2.9Å; L255-S257 VanDerWaalsContact C-N 3.35Å; L255-Q258 PolarHBondContact O-N 3.15Å; L255-L259 WeakPolarHBondContact O-CB 3.35Å; L255-L259 PolarHBondContact O-N 3.05Å |
| 256 | K | 74.3 | Confident | 73.5 | Confident | 120 Ų | 120 | 90.2 Ų | 90.2 | 52% | 0.522 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 174.4 | -170.3 | -173.1 | -178.1 | -112.5 | 0 | 110.8 | K252 L253 L259 E260 | K252-K256 VanDerWaalsContact O-CB 3.27Å; K252-K256 WeakPolarHBondContact O-CB 3.33Å; K252-K256 PolarHBondContact O-N 2.97Å; L253-K256 PolarHBondContact O-N 2.96Å; K256-L259 PolarHBondContact O-N 3.49Å; K256-E260 WeakPolarHBondContact CE-OE1 3.45Å; K256-E260 IonicContact NZ-OE1 2.97Å; K256-E260 PolarHBondContact NZ-OE1 3.47Å; K256-E260 WeakPolarHBondContact O-CB 3.49Å; K256-E260 VanDerWaalsContact O-CG 3.3Å; K256-E260 WeakPolarHBondContact O-CG 3.45Å; K256-E260 PolarHBondContact O-N 2.98Å |
| 257 | S | 75.7 | Confident | 73.5 | Confident | 53 Ų | 53 | 89.3 Ų | 89.3 | 37% | 0.371 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 175.3 | -169.5 | 0 | 0 | 0 | 0 | 111.7 | L253 M254 L255 L259 E260 D261 | L253-S257 WeakPolarHBondContact O-CB 3.47Å; L253-S257 PolarHBondContact O-N 3.46Å; M254-S257 WeakPolarHBondContact O-CB 3.37Å; M254-S257 PolarHBondContact O-N 2.92Å; L255-S257 VanDerWaalsContact C-N 3.35Å; S257-L259 PolarHBondContact O-N 3.47Å; S257-E260 CarbonylContact O-C 3.37Å; S257-E260 PolarHBondContact O-N 3.15Å; S257-D261 WeakPolarHBondContact O-CB 3.32Å; S257-D261 PolarHBondContact O-N 3.07Å |
| 258 | Q | 70.8 | Confident | 73.5 | Confident | 100 Ų | 100 | 89.7 Ų | 89.7 | 47% | 0.467 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 175 | -73.3 | 174.3 | 10.7 | 0 | 0 | 112.3 | M254 L255 D261 E262 | M254-Q258 WeakPolarHBondContact O-CG 3.49Å; M254-Q258 PolarHBondContact O-N 3.47Å; L255-Q258 PolarHBondContact O-N 3.15Å; Q258-D261 WeakPolarHBondContact O-CB 3.24Å; Q258-D261 PolarHBondContact O-N 3.09Å; Q258-E262 WeakPolarHBondContact O-CG 3.41Å; Q258-E262 PolarHBondContact O-N 3.43Å |
| 259 | L | 74.9 | Confident | 73.2 | Confident | 99 Ų | 99 | 94.8 Ų | 94.8 | 52% | 0.518 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 175.9 | -172.3 | 70 | 0 | 0 | 0 | 111.5 | L255 K256 S257 E262 M263 | L255-L259 WeakPolarHBondContact O-CB 3.35Å; L255-L259 PolarHBondContact O-N 3.05Å; K256-L259 PolarHBondContact O-N 3.49Å; S257-L259 PolarHBondContact O-N 3.47Å; L259-E262 PolarHBondContact O-N 2.88Å; L259-M263 WeakPolarHBondContact O-CB 3.33Å; L259-M263 VanDerWaalsContact O-CG 3.26Å; L259-M263 WeakPolarHBondContact O-CG 3.33Å; L259-M263 PolarHBondContact O-N 3.49Å |
| 260 | E | 75.4 | Confident | 72.7 | Confident | 80 Ų | 80 | 97.8 Ų | 97.8 | 37% | 0.374 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67 | -35.1 | 174.1 | -73.6 | 176 | -168 | 0 | 0 | 112.1 | K256 S257 R264 | K256-E260 WeakPolarHBondContact CE-OE1 3.45Å; K256-E260 IonicContact NZ-OE1 2.97Å; K256-E260 PolarHBondContact NZ-OE1 3.47Å; K256-E260 WeakPolarHBondContact O-CB 3.49Å; K256-E260 VanDerWaalsContact O-CG 3.3Å; K256-E260 WeakPolarHBondContact O-CG 3.45Å; K256-E260 PolarHBondContact O-N 2.98Å; S257-E260 CarbonylContact O-C 3.37Å; S257-E260 PolarHBondContact O-N 3.15Å; E260-R264 VanDerWaalsContact O-CB 3.29Å; E260-R264 WeakPolarHBondContact O-CB 3.24Å; E260-R264 VanDerWaalsContact O-CG 3.27Å; E260-R264 WeakPolarHBondContact O-CG 3.45Å; E260-R264 PolarHBondContact O-N 3.03Å; E260-R264 PolarHBondContact O-NE 3.12Å |
| 261 | D | 75.4 | Confident | 72.1 | Confident | 68 Ų | 68 | 98.8 Ų | 98.8 | 36% | 0.364 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.8 | -48 | 171.4 | -83.4 | -42.2 | 0 | 0 | 0 | 111.2 | S257 Q258 M263 R264 E265 | S257-D261 WeakPolarHBondContact O-CB 3.32Å; S257-D261 PolarHBondContact O-N 3.07Å; Q258-D261 WeakPolarHBondContact O-CB 3.24Å; Q258-D261 PolarHBondContact O-N 3.09Å; D261-M263 PolarHBondContact O-N 3.37Å; D261-R264 CarbonylContact O-C 3.59Å; D261-R264 PolarHBondContact O-N 3.26Å; D261-R264 IonicContact OD1-CZ 2.77Å; D261-R264 IonicContact OD1-NH1 3.17Å; D261-R264 PolarHBondContact OD1-NH1 2.84Å; D261-R264 IonicContact OD1-NH2 3.87Å; D261-R264 PolarHBondContact OD1-NH2 3.37Å; D261-E265 PolarHBondContact O-N 3.49Å |
| 262 | E | 72.2 | Confident | 71.5 | Confident | 133 Ų | 133 | 102.8 Ų | 102.8 | 62% | 0.621 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.9 | -41.3 | 175.3 | -74.3 | -173.3 | 168.7 | 0 | 0 | 111.8 | Q258 L259 E265 T266 | Q258-E262 WeakPolarHBondContact O-CG 3.41Å; Q258-E262 PolarHBondContact O-N 3.43Å; L259-E262 PolarHBondContact O-N 2.88Å; E262-E265 PolarHBondContact O-N 2.75Å; E262-T266 WeakPolarHBondContact O-CB 3.48Å; E262-T266 WeakPolarHBondContact O-CG2 3.38Å; E262-T266 PolarHBondContact O-N 3.15Å; E262-T266 PolarHBondContact O-OG1 3.2Å |
| 263 | M | 73.9 | Confident | 70.7 | Confident | 122 Ų | 122 | 103.4 Ų | 103.4 | 60% | 0.601 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.3 | -42.3 | 172.6 | -75.4 | -176.2 | 67 | 0 | 0 | 111.4 | L259 D261 T266 E267 | L259-M263 WeakPolarHBondContact O-CB 3.33Å; L259-M263 VanDerWaalsContact O-CG 3.26Å; L259-M263 WeakPolarHBondContact O-CG 3.33Å; L259-M263 PolarHBondContact O-N 3.49Å; D261-M263 PolarHBondContact O-N 3.37Å; M263-T266 PolarHBondContact O-OG1 3.16Å; M263-T266 VanDerWaalsContact O-OG1 3.1Å; M263-E267 VanDerWaalsContact O-CB 3.27Å; M263-E267 WeakPolarHBondContact O-CB 3.49Å; M263-E267 PolarHBondContact O-N 3.4Å |
| 264 | R | 77.9 | Confident | 69.7 | Low | 105 Ų | 105 | 102 Ų | 102 | 40% | 0.396 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66 | -40 | 176.2 | -80.2 | -175.9 | -81.7 | 104.1 | -5.4 | 112.4 | E260 D261 E267 K268 | E260-R264 VanDerWaalsContact O-CB 3.29Å; E260-R264 WeakPolarHBondContact O-CB 3.24Å; E260-R264 VanDerWaalsContact O-CG 3.27Å; E260-R264 WeakPolarHBondContact O-CG 3.45Å; E260-R264 PolarHBondContact O-N 3.03Å; E260-R264 PolarHBondContact O-NE 3.12Å; D261-R264 CarbonylContact O-C 3.59Å; D261-R264 PolarHBondContact O-N 3.26Å; D261-R264 IonicContact OD1-CZ 2.77Å; D261-R264 IonicContact OD1-NH1 3.17Å; D261-R264 PolarHBondContact OD1-NH1 2.84Å; D261-R264 IonicContact OD1-NH2 3.87Å; D261-R264 PolarHBondContact OD1-NH2 3.37Å; R264-E267 PolarHBondContact O-N 2.63Å; R264-K268 VanDerWaalsContact O-CG 3.28Å; R264-K268 WeakPolarHBondContact O-CG 3.2Å; R264-K268 PolarHBondContact O-N 2.93Å |
| 265 | E | 70.5 | Confident | 68.9 | Low | 97 Ų | 97 | 101 Ų | 101 | 45% | 0.453 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.1 | -47.4 | 175.6 | -74.8 | -55 | 142 | 0 | 0 | 112 | D261 E262 E267 K268 E269 | D261-E265 PolarHBondContact O-N 3.49Å; E262-E265 PolarHBondContact O-N 2.75Å; E265-E267 PolarHBondContact O-N 3.06Å; E265-K268 WeakPolarHBondContact O-CB 3.3Å; E265-K268 PolarHBondContact O-N 3.34Å; E265-K268 WeakPolarHBondContact OE1-CD 3.4Å; E265-K268 IonicContact OE1-NZ 2.73Å; E265-K268 PolarHBondContact OE1-NZ 2.98Å; E265-E269 WeakPolarHBondContact O-CG 3.18Å; E265-E269 PolarHBondContact O-N 3.25Å |
| 266 | T | 71.4 | Confident | 68.2 | Low | 62 Ų | 62 | 105.8 Ų | 105.8 | 38% | 0.38 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.5 | -29.4 | 174.9 | 56.5 | 0 | 0 | 0 | 0 | 112.4 | E262 M263 R270 | E262-T266 WeakPolarHBondContact O-CB 3.48Å; E262-T266 WeakPolarHBondContact O-CG2 3.38Å; E262-T266 PolarHBondContact O-N 3.15Å; E262-T266 PolarHBondContact O-OG1 3.2Å; M263-T266 PolarHBondContact O-OG1 3.16Å; M263-T266 VanDerWaalsContact O-OG1 3.1Å; T266-R270 WeakPolarHBondContact O-CD 3.33Å; T266-R270 WeakPolarHBondContact O-CG 3.25Å; T266-R270 PolarHBondContact O-N 2.85Å; T266-R270 VanDerWaalsContact O-N 3.1Å |
| 267 | E | 72.2 | Confident | 67.5 | Low | 89 Ų | 89 | 105.7 Ų | 105.7 | 42% | 0.416 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -74.1 | -37.9 | 171.4 | -153.7 | -157.7 | 178.1 | 0 | 0 | 112.8 | M263 R264 E265 R270 K271 | M263-E267 VanDerWaalsContact O-CB 3.27Å; M263-E267 WeakPolarHBondContact O-CB 3.49Å; M263-E267 PolarHBondContact O-N 3.4Å; R264-E267 PolarHBondContact O-N 2.63Å; E265-E267 PolarHBondContact O-N 3.06Å; E267-R270 PolarHBondContact O-N 2.92Å; E267-K271 VanDerWaalsContact CD-CE 3.43Å; E267-K271 HydrophobicContact CG-CD 4.31Å; E267-K271 WeakPolarHBondContact O-CB 3.35Å; E267-K271 VanDerWaalsContact O-CG 3.31Å; E267-K271 WeakPolarHBondContact O-CG 3.28Å; E267-K271 PolarHBondContact O-N 3.44Å; E267-K271 WeakPolarHBondContact OE1-CE 3.17Å; E267-K271 IonicContact OE1-NZ 3.07Å; E267-K271 PolarHBondContact OE1-NZ 3.07Å; E267-K271 IonicContact OE2-NZ 3.2Å; E267-K271 PolarHBondContact OE2-NZ 2.81Å |
| 268 | K | 71.2 | Confident | 66.7 | Low | 99 Ų | 99 | 111.8 Ų | 111.8 | 43% | 0.43 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 171.1 | -74.6 | 168.8 | -169.4 | 174.3 | 0 | 111.3 | R264 E265 K271 M272 | R264-K268 VanDerWaalsContact O-CG 3.28Å; R264-K268 WeakPolarHBondContact O-CG 3.2Å; R264-K268 PolarHBondContact O-N 2.93Å; E265-K268 WeakPolarHBondContact O-CB 3.3Å; E265-K268 PolarHBondContact O-N 3.34Å; E265-K268 WeakPolarHBondContact OE1-CD 3.4Å; E265-K268 IonicContact OE1-NZ 2.73Å; E265-K268 PolarHBondContact OE1-NZ 2.98Å; K268-K271 PolarHBondContact O-N 3.22Å; K268-M272 PolarHBondContact O-N 2.86Å |
| 269 | E | 64.4 | Low | 66.1 | Low | 125 Ų | 125 | 117.8 Ų | 117.8 | 58% | 0.584 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59.3 | -47.4 | 174.1 | -70.9 | -171.3 | 149.7 | 0 | 0 | 111.4 | E265 K271 M272 V273 | E265-E269 WeakPolarHBondContact O-CG 3.18Å; E265-E269 PolarHBondContact O-N 3.25Å; E269-K271 PolarHBondContact O-N 3.36Å; E269-M272 PolarHBondContact O-N 3.09Å; E269-V273 WeakPolarHBondContact O-CG2 3.43Å; E269-V273 PolarHBondContact O-N 3.2Å; E269-V273 VanDerWaalsContact O-N 3.15Å |
| 270 | R | 63.5 | Low | 65.5 | Low | 183 Ų | 183 | 120 Ų | 120 | 69% | 0.691 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59.1 | -45.1 | 174.5 | -71.9 | 167.7 | -171.9 | -166 | 4.7 | 111.9 | T266 E267 V273 A274 | T266-R270 WeakPolarHBondContact O-CD 3.33Å; T266-R270 WeakPolarHBondContact O-CG 3.25Å; T266-R270 PolarHBondContact O-N 2.85Å; T266-R270 VanDerWaalsContact O-N 3.1Å; E267-R270 PolarHBondContact O-N 2.92Å; R270-V273 PolarHBondContact O-N 2.88Å; R270-A274 VanDerWaalsContact O-CB 3.29Å; R270-A274 WeakPolarHBondContact O-CB 3.45Å; R270-A274 PolarHBondContact O-N 3.32Å |
| 271 | K | 63 | Low | 64.9 | Low | 117 Ų | 117 | 119.2 Ų | 119.2 | 51% | 0.509 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.2 | -41.5 | 179.2 | -77.6 | 167.7 | 174.7 | 163.7 | 0 | 112.1 | E267 K268 E269 V273 A274 A275 | E267-K271 VanDerWaalsContact CD-CE 3.43Å; E267-K271 HydrophobicContact CG-CD 4.31Å; E267-K271 WeakPolarHBondContact O-CB 3.35Å; E267-K271 VanDerWaalsContact O-CG 3.31Å; E267-K271 WeakPolarHBondContact O-CG 3.28Å; E267-K271 PolarHBondContact O-N 3.44Å; E267-K271 WeakPolarHBondContact OE1-CE 3.17Å; E267-K271 IonicContact OE1-NZ 3.07Å; E267-K271 PolarHBondContact OE1-NZ 3.07Å; E267-K271 IonicContact OE2-NZ 3.2Å; E267-K271 PolarHBondContact OE2-NZ 2.81Å; K268-K271 PolarHBondContact O-N 3.22Å; E269-K271 PolarHBondContact O-N 3.36Å; K271-V273 VanDerWaalsContact C-N 3.29Å; K271-V273 PolarHBondContact O-N 3.08Å; K271-A274 PolarHBondContact O-N 3.34Å; K271-A274 VanDerWaalsContact O-N 3.13Å; K271-A275 PolarHBondContact O-N 3.44Å |
| 272 | M | 58.8 | Low | 64.6 | Low | 156 Ų | 156 | 117.6 Ų | 117.6 | 77% | 0.768 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.5 | -30.7 | 174.7 | -76.6 | -157.2 | -78.2 | 0 | 0 | 113.2 | K268 E269 | K268-M272 PolarHBondContact O-N 2.86Å; E269-M272 PolarHBondContact O-N 3.09Å |
| 273 | V | 57 | Low | 64.7 | Low | 96 Ų | 96 | 116 Ų | 116 | 58% | 0.582 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -79.8 | -21.7 | 174 | 175.1 | 0 | 0 | 0 | 0 | 112.6 | E269 R270 K271 | E269-V273 WeakPolarHBondContact O-CG2 3.43Å; E269-V273 PolarHBondContact O-N 3.2Å; E269-V273 VanDerWaalsContact O-N 3.15Å; R270-V273 PolarHBondContact O-N 2.88Å; K271-V273 VanDerWaalsContact C-N 3.29Å; K271-V273 PolarHBondContact O-N 3.08Å |
| 274 | A | 55.1 | Low | 64.8 | Low | 74 Ų | 74 | 114.7 Ų | 114.7 | 61% | 0.612 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -92.1 | -12.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R270 K271 R276 | R270-A274 VanDerWaalsContact O-CB 3.29Å; R270-A274 WeakPolarHBondContact O-CB 3.45Å; R270-A274 PolarHBondContact O-N 3.32Å; K271-A274 PolarHBondContact O-N 3.34Å; K271-A274 VanDerWaalsContact O-N 3.13Å; A274-R276 PolarHBondContact O-N 3.37Å |
| 275 | A | 58 | Low | 64.9 | Low | 96 Ų | 96 | 113.3 Ų | 113.3 | 79% | 0.793 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -62.1 | -9.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | K271 | K271-A275 PolarHBondContact O-N 3.44Š|
| 276 | R | 56.3 | Low | 65.1 | Low | 147 Ų | 147 | 110.4 Ų | 110.4 | 56% | 0.555 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -149.6 | 136.2 | 172.6 | -157.8 | 171.7 | 179.9 | 126.8 | 3.1 | 109 | A274 K278 F280 S282 | A274-R276 PolarHBondContact O-N 3.37Å; R276-K278 PolarHBondContact O-N 2.9Å; R276-F280 PolarHBondContact NE-O 2.99Å; R276-S282 PolarHBondContact NH1-OG 2.93Å |
| 277 | N | 59.3 | Low | 65.3 | Low | 119 Ų | 119 | 118.1 Ų | 118.1 | 64% | 0.636 | 58% | 0.578 | S | S | * | * | trans | -60.5 | 132.5 | -177.6 | -170.4 | -18 | 0 | 0 | 0 | 110.7 | R279 F280 | N277-R279 PolarHBondContact O-N 3.07Å; N277-F280 PolarHBondContact O-N 3.49Å | ||
| 278 | K | 60.5 | Low | 65.3 | Low | 180 Ų | 180 | 118 Ų | 118 | 78% | 0.783 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | -19.4 | -176.4 | -71.6 | -174.8 | 177.5 | 179.5 | 0 | 114.4 | R276 F280 | R276-K278 PolarHBondContact O-N 2.9Å; K278-F280 VanDerWaalsContact C-N 3.34Å |
| 279 | R | 56.4 | Low | 65.3 | Low | 226 Ų | 226 | 116.7 Ų | 116.7 | 85% | 0.853 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -8.2 | 175.8 | -68.5 | -175.7 | 174.4 | -178.5 | -1.6 | 115.1 | N277 | N277-R279 PolarHBondContact O-N 3.07Š|
| 280 | F | 63.6 | Low | 66 | Low | 146 Ų | 146 | 115.9 Ų | 115.9 | 64% | 0.64 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -134.6 | 64 | -175.5 | -143.1 | -82.6 | 0 | 0 | 0 | 113.4 | R276 N277 K278 | R276-F280 PolarHBondContact NE-O 2.99Å; N277-F280 PolarHBondContact O-N 3.49Å; K278-F280 VanDerWaalsContact C-N 3.34Å |
| 281 | P | 62.1 | Low | 66.4 | Low | 63 Ų | 63 | 108.8 Ų | 108.8 | 41% | 0.409 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -69.4 | 139.4 | -179.7 | 30.5 | -35.3 | 0 | 0 | 0 | 111.8 | L301 | P281-L301 HydrophobicContact CB-CB 4.06Å; P281-L301 HydrophobicContact CB-CD1 4.29Å; P281-L301 HydrophobicContact CB-CD2 4.06Å; P281-L301 HydrophobicContact CB-CG 4.36Å; P281-L301 HydrophobicContact CG-CD1 4.46Å; P281-L301 HydrophobicContact CG-CD2 4.24Å |
| 282 | S | 68.9 | Low | 66.4 | Low | 34 Ų | 34 | 110.6 Ų | 110.6 | 24% | 0.238 | 58% | 0.583 | C | S | . | * | P | Polyproline II helix | trans | -76.4 | 131.8 | 166.3 | -69.2 | 0 | 0 | 0 | 0 | 109.6 | R276 Y284 L301 | R276-S282 PolarHBondContact NH1-OG 2.93Å; S282-Y284 WeakPolarHBondContact O-CD2 3.3Å; S282-Y284 WeakPolarHBondContact O-CE2 3.45Å; S282-L301 CarbonylContact O-C 3.6Å; S282-L301 WeakPolarHBondContact O-CA 3.44Å |
| 283 | V | 75.3 | Confident | 66.8 | Low | 100 Ų | 100 | 106.4 Ų | 106.4 | 61% | 0.606 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 124.8 | -176.5 | 172.1 | 0 | 0 | 0 | 0 | 109.6 | I299 L301 | V283-I299 HydrophobicContact CG1-CG2 3.72Å; V283-L301 HydrophobicContact CG2-CD2 4.2Å |
| 284 | Y | 75.3 | Confident | 67.5 | Low | 94 Ų | 94 | 104 Ų | 104 | 37% | 0.369 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.1 | 133.8 | -179.7 | -58.2 | -89.1 | 0 | 0 | 0 | 110.2 | S282 I299 S300 P303 | S282-Y284 WeakPolarHBondContact O-CD2 3.3Å; S282-Y284 WeakPolarHBondContact O-CE2 3.45Å; Y284-I299 CarbonylContact O-C 3.54Å; Y284-I299 WeakPolarHBondContact O-CA 3.37Å; Y284-S300 PolarHBondContact N-O 3.02Å; Y284-S300 PolarHBondContact O-N 3.25Å; Y284-P303 HydrophobicContact CD1-CB 4.49Å; Y284-P303 HydrophobicContact CE1-CB 3.91Å; Y284-P303 HydrophobicContact CE2-CB 4.08Å; Y284-P303 HydrophobicContact CE2-CG 4.39Å |
| 285 | A | 79.5 | Confident | 68.3 | Low | 76 Ų | 76 | 105.8 Ų | 105.8 | 63% | 0.628 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.1 | 127.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | R287 | A285-R287 PolarHBondContact O-N 3.36Å |
| 286 | I | 75.8 | Confident | 69.2 | Low | 36 Ų | 36 | 106.7 Ų | 106.7 | 19% | 0.185 | 57% | 0.569 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.4 | 95.7 | -179.7 | -58.2 | 148.7 | 0 | 0 | 0 | 108.6 | K289 A298 L310 | I286-K289 HydrophobicContact CG2-CB 4.07Å; I286-K289 PolarHBondContact O-N 2.85Å; I286-A298 HydrophobicContact CB-CB 4.41Å; I286-A298 WeakPolarHBondContact CB-O 3.37Å; I286-A298 HydrophobicContact CD1-CB 4.12Å; I286-A298 PolarHBondContact N-O 3.14Å; I286-L310 HydrophobicContact CD1-CD2 3.34Å; I286-L310 HydrophobicContact CG1-CD2 4.26Å; I286-L310 HydrophobicContact CG2-CD2 4.35Å |
| 287 | R | 75.1 | Confident | 70.3 | Confident | 225 Ų | 225 | 102.2 Ų | 102.2 | 85% | 0.849 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -57.6 | 139 | 175.8 | -71.2 | -174.5 | 176.6 | -178.1 | -0.7 | 111.1 | A285 K289 | A285-R287 PolarHBondContact O-N 3.36Å; R287-K289 VanDerWaalsContact C-N 3.33Å; R287-K289 PolarHBondContact O-N 2.87Å |
| 288 | G | 72 | Confident | 71 | Confident | 86 Ų | 86 | 97.2 Ų | 97.2 | 89% | 0.887 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 84.4 | -5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 289 | K | 72.3 | Confident | 71.7 | Confident | 71 Ų | 71 | 94.4 Ų | 94.4 | 31% | 0.309 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 120.8 | 170.2 | -172 | -175.4 | 178.2 | 89.9 | 0 | 109.7 | I286 R287 D297 A298 L310 | I286-K289 HydrophobicContact CG2-CB 4.07Å; I286-K289 PolarHBondContact O-N 2.85Å; R287-K289 VanDerWaalsContact C-N 3.33Å; R287-K289 PolarHBondContact O-N 2.87Å; K289-D297 CarbonylContact O-C 3.44Å; K289-D297 WeakPolarHBondContact O-CA 3.35Å; K289-A298 HydrophobicContact CB-CB 4.2Å; K289-A298 HydrophobicContact CD-CB 4.05Å; K289-A298 HydrophobicContact CG-CB 4.06Å; K289-A298 WeakPolarHBondContact O-CB 3.43Å; K289-A298 PolarHBondContact O-N 3.28Å; K289-L310 HydrophobicContact CD-CB 4.1Å; K289-L310 HydrophobicContact CD-CD2 4.15Å; K289-L310 WeakPolarHBondContact CE-O 3.41Å; K289-L310 PolarHBondContact NZ-O 3.09Å |
| 290 | K | 78.3 | Confident | 72.4 | Confident | 109 Ų | 109 | 84.1 Ų | 84.1 | 47% | 0.474 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 144.1 | 175.8 | -66.4 | -54.9 | -167.5 | -178 | 0 | 112.7 | G294 V295 N296 D297 | K290-G294 WeakPolarHBondContact CD-O 3.36Å; K290-G294 WeakPolarHBondContact CE-O 3.46Å; K290-G294 VanDerWaalsContact CG-O 3.31Å; K290-G294 WeakPolarHBondContact CG-O 3.42Å; K290-V295 PolarHBondContact NZ-O 3.21Å; K290-N296 WeakPolarHBondContact CA-O 3.25Å; K290-N296 WeakPolarHBondContact CD-O 3.47Å; K290-D297 IonicContact NZ-OD1 3.53Å; K290-D297 PolarHBondContact NZ-OD1 3.1Å |
| 291 | A | 70.9 | Confident | 72.6 | Confident | 33 Ų | 33 | 82.2 Ų | 82.2 | 27% | 0.273 | 48% | 0.482 | S | S | . | . | trans | -69.9 | 169 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G293 G294 N296 | A291-G293 PolarHBondContact O-N 3.4Å; A291-G293 VanDerWaalsContact O-N 3.1Å; A291-G294 PolarHBondContact O-N 2.88Å; A291-N296 HydrophobicContact CB-CB 4.44Å; A291-N296 WeakPolarHBondContact CB-O 3.32Å; A291-N296 PolarHBondContact N-O 2.98Å | ||
| 292 | I | 63.8 | Low | 72.8 | Confident | 155 Ų | 155 | 82.3 Ų | 82.3 | 80% | 0.795 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 114.7 | 171.2 | -57.5 | 172.3 | 0 | 0 | 0 | 107.5 | ||
| 293 | G | 67.8 | Low | 72.6 | Confident | 69 Ų | 69 | 85.2 Ų | 85.2 | 71% | 0.711 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.3 | -5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A291 V295 | A291-G293 PolarHBondContact O-N 3.4Å; A291-G293 VanDerWaalsContact O-N 3.1Å; G293-V295 PolarHBondContact O-N 2.69Å |
| 294 | G | 71.4 | Confident | 72.1 | Confident | 45 Ų | 45 | 89.2 Ų | 89.2 | 46% | 0.464 | 51% | 0.509 | S | S | . | . | S | Bend | trans | 75.4 | -25.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | K290 A291 | K290-G294 WeakPolarHBondContact CD-O 3.36Å; K290-G294 WeakPolarHBondContact CE-O 3.46Å; K290-G294 VanDerWaalsContact CG-O 3.31Å; K290-G294 WeakPolarHBondContact CG-O 3.42Å; A291-G294 PolarHBondContact O-N 2.88Å |
| 295 | V | 72.6 | Confident | 71.5 | Confident | 112 Ų | 112 | 86.9 Ų | 86.9 | 68% | 0.679 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -72.2 | -59.8 | -176.4 | -175.6 | 0 | 0 | 0 | 0 | 111.7 | K290 G293 | K290-V295 PolarHBondContact NZ-O 3.21Å; G293-V295 PolarHBondContact O-N 2.69Å |
| 296 | N | 75.7 | Confident | 70.6 | Confident | 114 Ų | 114 | 87.4 Ų | 87.4 | 61% | 0.61 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -88.2 | 157.4 | -171.1 | -65.3 | -20.3 | 0 | 0 | 0 | 112.4 | K290 A291 | K290-N296 WeakPolarHBondContact CA-O 3.25Å; K290-N296 WeakPolarHBondContact CD-O 3.47Å; A291-N296 HydrophobicContact CB-CB 4.44Å; A291-N296 WeakPolarHBondContact CB-O 3.32Å; A291-N296 PolarHBondContact N-O 2.98Å |
| 297 | D | 79.8 | Confident | 69.8 | Low | 54 Ų | 54 | 89.4 Ų | 89.4 | 29% | 0.289 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 149.4 | 170.3 | -72.5 | 5 | 0 | 0 | 0 | 110.6 | K289 K290 | K289-D297 CarbonylContact O-C 3.44Å; K289-D297 WeakPolarHBondContact O-CA 3.35Å; K290-D297 IonicContact NZ-OD1 3.53Å; K290-D297 PolarHBondContact NZ-OD1 3.1Å |
| 298 | A | 74.4 | Confident | 69.1 | Low | 13 Ų | 13 | 80.5 Ų | 80.5 | 11% | 0.107 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 137.9 | -176 | 0 | 0 | 0 | 0 | 0 | 110.9 | I286 K289 | I286-A298 HydrophobicContact CB-CB 4.41Å; I286-A298 WeakPolarHBondContact CB-O 3.37Å; I286-A298 HydrophobicContact CD1-CB 4.12Å; I286-A298 PolarHBondContact N-O 3.14Å; K289-A298 HydrophobicContact CB-CB 4.2Å; K289-A298 HydrophobicContact CD-CB 4.05Å; K289-A298 HydrophobicContact CG-CB 4.06Å; K289-A298 WeakPolarHBondContact O-CB 3.43Å; K289-A298 PolarHBondContact O-N 3.28Å |
| 299 | I | 74.1 | Confident | 68.5 | Low | 121 Ų | 121 | 79.7 Ų | 79.7 | 62% | 0.621 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 135.9 | -177.6 | -68.6 | 171 | 0 | 0 | 0 | 110.3 | V283 Y284 | V283-I299 HydrophobicContact CG1-CG2 3.72Å; Y284-I299 CarbonylContact O-C 3.54Å; Y284-I299 WeakPolarHBondContact O-CA 3.37Å |
| 300 | S | 70.7 | Confident | 67.9 | Low | 11 Ų | 11 | 78.2 Ų | 78.2 | 8% | 0.077 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 150 | 169.3 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | Y284 T302 V305 | Y284-S300 PolarHBondContact N-O 3.02Å; Y284-S300 PolarHBondContact O-N 3.25Å; S300-T302 PolarHBondContact OG-N 2.89Å; S300-T302 PolarHBondContact OG-O 3.38Å; S300-T302 PolarHBondContact OG-OG1 3.33Å; S300-V305 WeakPolarHBondContact OG-CG2 3.48Å |
| 301 | L | 69.7 | Low | 67.1 | Low | 106 Ų | 106 | 75.2 Ų | 75.2 | 56% | 0.555 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -97 | 0.2 | 170.9 | -52.7 | -177.4 | 0 | 0 | 0 | 112.6 | P281 S282 V283 | P281-L301 HydrophobicContact CB-CB 4.06Å; P281-L301 HydrophobicContact CB-CD1 4.29Å; P281-L301 HydrophobicContact CB-CD2 4.06Å; P281-L301 HydrophobicContact CB-CG 4.36Å; P281-L301 HydrophobicContact CG-CD1 4.46Å; P281-L301 HydrophobicContact CG-CD2 4.24Å; S282-L301 CarbonylContact O-C 3.6Å; S282-L301 WeakPolarHBondContact O-CA 3.44Å; V283-L301 HydrophobicContact CG2-CD2 4.2Å |
| 302 | T | 66.3 | Low | 66.5 | Low | 64 Ų | 64 | 80.2 Ų | 80.2 | 39% | 0.393 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -128.2 | 142.4 | 178.2 | 62 | 0 | 0 | 0 | 0 | 111.3 | S300 K304 V305 | S300-T302 PolarHBondContact OG-N 2.89Å; S300-T302 PolarHBondContact OG-O 3.38Å; S300-T302 PolarHBondContact OG-OG1 3.33Å; T302-K304 VanDerWaalsContact C-N 3.32Å; T302-K304 PolarHBondContact OG1-O 3.09Å; T302-V305 WeakPolarHBondContact O-CG2 3.25Å |
| 303 | P | 64.2 | Low | 66.4 | Low | 96 Ų | 96 | 77.3 Ų | 77.3 | 62% | 0.623 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -73.7 | -23.3 | 178.6 | 28 | -33.9 | 0 | 0 | 0 | 113.2 | Y284 | Y284-P303 HydrophobicContact CD1-CB 4.49Å; Y284-P303 HydrophobicContact CE1-CB 3.91Å; Y284-P303 HydrophobicContact CE2-CB 4.08Å; Y284-P303 HydrophobicContact CE2-CG 4.39Å |
| 304 | K | 64.6 | Low | 66 | Low | 184 Ų | 184 | 80.3 Ų | 80.3 | 80% | 0.8 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -112.8 | 97.8 | 176.5 | -69.7 | 179.7 | -180 | 172.9 | 0 | 108.6 | T302 | T302-K304 VanDerWaalsContact C-N 3.32Å; T302-K304 PolarHBondContact OG1-O 3.09Å |
| 305 | V | 61.7 | Low | 65.3 | Low | 44 Ų | 44 | 85.7 Ų | 85.7 | 27% | 0.267 | 47% | 0.468 | S | S | . | . | trans | -102.3 | 116.8 | 177.9 | -156.4 | 0 | 0 | 0 | 0 | 108.7 | S300 T302 Q309 L310 | S300-V305 WeakPolarHBondContact OG-CG2 3.48Å; T302-V305 WeakPolarHBondContact O-CG2 3.25Å; V305-Q309 HydrophobicContact CG1-CB 3.68Å; V305-L310 HydrophobicContact CB-CD2 4.05Å; V305-L310 HydrophobicContact CB-CG 4.33Å; V305-L310 HydrophobicContact CG1-CD2 3.51Å; V305-L310 HydrophobicContact CG1-CG 3.76Å | ||
| 306 | T | 60.8 | Low | 64.7 | Low | 87 Ų | 87 | 86.8 Ų | 86.8 | 53% | 0.534 | 46% | 0.464 | S | S | . | . | trans | -69.6 | 147.4 | 172.9 | -55 | 0 | 0 | 0 | 0 | 109 | G308 Q309 L310 | T306-G308 PolarHBondContact O-N 3.23Å; T306-Q309 WeakPolarHBondContact O-CA 3.45Å; T306-Q309 WeakPolarHBondContact O-CB 3.43Å; T306-Q309 PolarHBondContact O-N 2.96Å; T306-L310 PolarHBondContact O-N 2.89Å | ||
| 307 | T | 59.3 | Low | 63.7 | Low | 78 Ų | 78 | 90.7 Ų | 90.7 | 48% | 0.479 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -29.6 | 179.9 | 45 | 0 | 0 | 0 | 0 | 113.8 | L310 R778 | T307-L310 WeakPolarHBondContact O-CB 3.19Å; T307-L310 PolarHBondContact O-N 3.27Å; T307-R778 PolarHBondContact OG1-NH1 3.41Å; T307-R778 VanDerWaalsContact OG1-NH1 3.12Å |
| 308 | G | 60.5 | Low | 62.6 | Low | 38 Ų | 38 | 93.6 Ų | 93.6 | 39% | 0.392 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -31.8 | 171 | 0 | 0 | 0 | 0 | 0 | 114.5 | T306 L310 A311 | T306-G308 PolarHBondContact O-N 3.23Å; G308-L310 VanDerWaalsContact C-N 3.25Å; G308-L310 PolarHBondContact O-N 2.85Å; G308-A311 VanDerWaalsContact O-CB 3.29Å; G308-A311 WeakPolarHBondContact O-CB 3.33Å; G308-A311 PolarHBondContact O-N 3.43Å |
| 309 | Q | 60.5 | Low | 61.6 | Low | 70 Ų | 70 | 101 Ų | 101 | 33% | 0.327 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -19 | 175.2 | -62.7 | 174.8 | -40.5 | 0 | 0 | 112.5 | V305 T306 A311 Y314 | V305-Q309 HydrophobicContact CG1-CB 3.68Å; T306-Q309 WeakPolarHBondContact O-CA 3.45Å; T306-Q309 WeakPolarHBondContact O-CB 3.43Å; T306-Q309 PolarHBondContact O-N 2.96Å; Q309-A311 VanDerWaalsContact C-N 3.33Å; Q309-Y314 HydrophobicContact CB-CD1 4.39Å; Q309-Y314 HydrophobicContact CB-CD2 4.38Å; Q309-Y314 HydrophobicContact CB-CE1 4.35Å; Q309-Y314 HydrophobicContact CB-CE2 4.33Å; Q309-Y314 HydrophobicContact CB-CG 4.41Å; Q309-Y314 HydrophobicContact CG-CD2 4.13Å; Q309-Y314 HydrophobicContact CG-CE1 4.09Å; Q309-Y314 HydrophobicContact CG-CE2 3.63Å; Q309-Y314 PolarHBondContact NE2-OH 3.34Å |
| 310 | L | 58.8 | Low | 60.1 | Low | 40 Ų | 40 | 105 Ų | 105 | 21% | 0.209 | 54% | 0.539 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -10 | 171.1 | -62 | 174.9 | 0 | 0 | 0 | 112.9 | I286 K289 V305 T306 T307 G308 | I286-L310 HydrophobicContact CD1-CD2 3.34Å; I286-L310 HydrophobicContact CG1-CD2 4.26Å; I286-L310 HydrophobicContact CG2-CD2 4.35Å; K289-L310 HydrophobicContact CD-CB 4.1Å; K289-L310 HydrophobicContact CD-CD2 4.15Å; K289-L310 WeakPolarHBondContact CE-O 3.41Å; K289-L310 PolarHBondContact NZ-O 3.09Å; V305-L310 HydrophobicContact CB-CD2 4.05Å; V305-L310 HydrophobicContact CB-CG 4.33Å; V305-L310 HydrophobicContact CG1-CD2 3.51Å; V305-L310 HydrophobicContact CG1-CG 3.76Å; T306-L310 PolarHBondContact O-N 2.89Å; T307-L310 WeakPolarHBondContact O-CB 3.19Å; T307-L310 PolarHBondContact O-N 3.27Å; G308-L310 VanDerWaalsContact C-N 3.25Å; G308-L310 PolarHBondContact O-N 2.85Å |
| 311 | A | 61.1 | Low | 58.9 | Low | 45 Ų | 45 | 112.4 Ų | 112.4 | 37% | 0.372 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -66.3 | 136.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | G308 Q309 D313 Y314 | G308-A311 VanDerWaalsContact O-CB 3.29Å; G308-A311 WeakPolarHBondContact O-CB 3.33Å; G308-A311 PolarHBondContact O-N 3.43Å; Q309-A311 VanDerWaalsContact C-N 3.33Å; A311-D313 PolarHBondContact O-N 3.38Å; A311-D313 VanDerWaalsContact O-N 3.1Å; A311-Y314 VanDerWaalsContact O-CB 3.29Å; A311-Y314 WeakPolarHBondContact O-CB 3.24Å; A311-Y314 PolarHBondContact O-N 3.28Å |
| 312 | Q | 58.9 | Low | 57.5 | Low | 138 Ų | 138 | 111.4 Ų | 111.4 | 65% | 0.645 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -22.4 | 175.4 | -69.4 | 176 | -10.3 | 0 | 0 | 111.7 | ||
| 313 | D | 62.5 | Low | 56.7 | Low | 94 Ų | 94 | 114.5 Ų | 114.5 | 50% | 0.503 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.1 | -4.2 | 176.9 | -54.2 | -40.6 | 0 | 0 | 0 | 114.2 | A311 L315 K316 | A311-D313 PolarHBondContact O-N 3.38Å; A311-D313 VanDerWaalsContact O-N 3.1Å; D313-L315 PolarHBondContact O-N 3.03Å; D313-K316 HydrophobicContact CB-CB 4.48Å; D313-K316 HydrophobicContact CB-CD 4.23Å; D313-K316 WeakPolarHBondContact O-CA 3.44Å; D313-K316 WeakPolarHBondContact O-CB 3.24Å; D313-K316 PolarHBondContact O-N 2.87Å; D313-K316 VanDerWaalsContact OD1-CD 3.23Å; D313-K316 WeakPolarHBondContact OD1-CD 3.28Å; D313-K316 WeakPolarHBondContact OD1-CE 3.48Å; D313-K316 IonicContact OD1-NZ 2.76Å; D313-K316 PolarHBondContact OD1-NZ 3.11Å |
| 314 | Y | 58.4 | Low | 56.1 | Low | 132 Ų | 132 | 119.6 Ų | 119.6 | 52% | 0.518 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.1 | -31.6 | -178.7 | -179.4 | -104.9 | 0 | 0 | 0 | 113.4 | Q309 A311 | Q309-Y314 HydrophobicContact CB-CD1 4.39Å; Q309-Y314 HydrophobicContact CB-CD2 4.38Å; Q309-Y314 HydrophobicContact CB-CE1 4.35Å; Q309-Y314 HydrophobicContact CB-CE2 4.33Å; Q309-Y314 HydrophobicContact CB-CG 4.41Å; Q309-Y314 HydrophobicContact CG-CD2 4.13Å; Q309-Y314 HydrophobicContact CG-CE1 4.09Å; Q309-Y314 HydrophobicContact CG-CE2 3.63Å; Q309-Y314 PolarHBondContact NE2-OH 3.34Å; A311-Y314 VanDerWaalsContact O-CB 3.29Å; A311-Y314 WeakPolarHBondContact O-CB 3.24Å; A311-Y314 PolarHBondContact O-N 3.28Å |
| 315 | L | 56.7 | Low | 55.6 | Low | 159 Ų | 159 | 115.3 Ų | 115.3 | 83% | 0.832 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -12.5 | 174.5 | -64.5 | 177.7 | 0 | 0 | 0 | 113.2 | D313 K317 | D313-L315 PolarHBondContact O-N 3.03Å; L315-K317 PolarHBondContact O-N 3.48Å |
| 316 | K | 60.9 | Low | 55.5 | Low | 134 Ų | 134 | 114.2 Ų | 114.2 | 58% | 0.583 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -73 | 120.8 | 170.7 | -64.2 | -176.7 | -169.9 | 163.8 | 0 | 106.9 | D313 P318 | D313-K316 HydrophobicContact CB-CB 4.48Å; D313-K316 HydrophobicContact CB-CD 4.23Å; D313-K316 WeakPolarHBondContact O-CA 3.44Å; D313-K316 WeakPolarHBondContact O-CB 3.24Å; D313-K316 PolarHBondContact O-N 2.87Å; D313-K316 VanDerWaalsContact OD1-CD 3.23Å; D313-K316 WeakPolarHBondContact OD1-CD 3.28Å; D313-K316 WeakPolarHBondContact OD1-CE 3.48Å; D313-K316 IonicContact OD1-NZ 2.76Å; D313-K316 PolarHBondContact OD1-NZ 3.11Å; K316-P318 VanDerWaalsContact O-N 3.15Å |
| 317 | K | 54.2 | Low | 55.3 | Low | 196 Ų | 196 | 118.7 Ų | 118.7 | 85% | 0.852 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 125.3 | 162.8 | -65.9 | 178 | -178.2 | 175.6 | 0 | 106.1 | L315 K319 | L315-K317 PolarHBondContact O-N 3.48Å; K317-K319 PolarHBondContact O-N 3.27Å |
| 318 | P | 55.7 | Low | 55 | Low | 115 Ų | 115 | 116.7 Ų | 116.7 | 75% | 0.747 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 135.1 | 178.2 | 21.9 | -32.3 | 0 | 0 | 0 | 108 | K316 K320 | K316-P318 VanDerWaalsContact O-N 3.15Å; P318-K320 PolarHBondContact O-N 3.14Å |
| 319 | K | 53.3 | Low | 54.5 | Low | 169 Ų | 169 | 123.3 Ų | 123.3 | 74% | 0.735 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 119.2 | 167.6 | -85.4 | -171.5 | 174.7 | -175.4 | 0 | 105.2 | K317 F321 | K317-K319 PolarHBondContact O-N 3.27Å; K319-F321 PolarHBondContact O-N 2.92Å |
| 320 | K | 44.4 | Very low | 54.1 | Low | 204 Ų | 204 | 125.1 Ų | 125.1 | 89% | 0.887 | 62% | 0.618 | S | S | * | * | trans | -57.5 | 110.9 | 174.7 | -75.3 | -176.1 | 177.3 | -178.9 | 0 | 105.3 | P318 G322 | P318-K320 PolarHBondContact O-N 3.14Å; K320-G322 PolarHBondContact O-N 3.32Å | ||
| 321 | F | 43.6 | Very low | 53.9 | Low | 168 Ų | 168 | 127.5 Ų | 127.5 | 74% | 0.737 | 63% | 0.628 | S | S | * | * | trans | -57.5 | 117.3 | 174.2 | -100.1 | -85.8 | 0 | 0 | 0 | 107 | K319 K323 | K319-F321 PolarHBondContact O-N 2.92Å; F321-K323 PolarHBondContact O-N 3.4Å | ||
| 322 | G | 42.1 | Very low | 53.7 | Low | 84 Ų | 84 | 128.2 Ų | 128.2 | 87% | 0.866 | 63% | 0.629 | S | S | * | * | trans | -73.1 | 60 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | K320 | K320-G322 PolarHBondContact O-N 3.32Š| ||
| 323 | K | 48.8 | Very low | 53.9 | Low | 129 Ų | 129 | 128.4 Ų | 128.4 | 56% | 0.561 | 63% | 0.63 | S | S | * | * | trans | -118 | 105 | 175.9 | -63.4 | -160.9 | 174.4 | -163 | 0 | 107.7 | F321 Q325 | F321-K323 PolarHBondContact O-N 3.4Å; K323-Q325 HydrophobicContact CB-CG 4.38Å; K323-Q325 PolarHBondContact O-N 3.26Å | ||
| 324 | K | 51.3 | Low | 54.2 | Low | 203 Ų | 203 | 124.9 Ų | 124.9 | 88% | 0.883 | 61% | 0.61 | S | S | * | * | trans | -65.2 | 73.8 | 162.3 | -69 | 179.6 | -179.6 | 176.7 | 0 | 107.4 | V326 | K324-V326 PolarHBondContact O-N 2.88Š| ||
| 325 | Q | 55.1 | Low | 54.8 | Low | 94 Ų | 94 | 118.8 Ų | 118.8 | 44% | 0.439 | 59% | 0.586 | S | S | . | * | trans | -60.1 | 131.1 | 170.6 | -65.5 | -167 | -43.5 | 0 | 0 | 107.4 | K323 K327 P494 | K323-Q325 HydrophobicContact CB-CG 4.38Å; K323-Q325 PolarHBondContact O-N 3.26Å; Q325-K327 PolarHBondContact O-N 3.24Å; Q325-P494 WeakPolarHBondContact CA-O 3.3Å | ||
| 326 | V | 58 | Low | 55.8 | Low | 22 Ų | 22 | 111.2 Ų | 111.2 | 13% | 0.133 | 55% | 0.547 | C | S | . | . | trans | -62.1 | 105 | 171.6 | -178.6 | 0 | 0 | 0 | 0 | 106.9 | K324 A328 I432 H496 | K324-V326 PolarHBondContact O-N 2.88Å; V326-A328 PolarHBondContact O-N 3.16Å; V326-I432 HydrophobicContact CG2-CG2 3.88Å; V326-H496 WeakPolarHBondContact CG2-O 3.27Å | ||
| 327 | K | 56.8 | Low | 56.8 | Low | 181 Ų | 181 | 105.2 Ų | 105.2 | 79% | 0.787 | 52% | 0.522 | S | S | * | . | trans | -67.7 | 117.9 | 170 | -70.6 | -176.8 | -179.3 | 177.5 | 0 | 105.7 | Q325 E329 | Q325-K327 PolarHBondContact O-N 3.24Å; K327-E329 PolarHBondContact O-N 3.09Å | ||
| 328 | A | 52.6 | Low | 58.1 | Low | 36 Ų | 36 | 98.2 Ų | 98.2 | 30% | 0.298 | 49% | 0.491 | S | S | . | . | trans | -60.3 | 113.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | V326 L330 S500 | V326-A328 PolarHBondContact O-N 3.16Å; A328-L330 HydrophobicContact CB-CG 4.06Å; A328-L330 PolarHBondContact O-N 3.33Å; A328-S500 WeakPolarHBondContact CB-OG 3.49Å | ||
| 329 | E | 49.9 | Very low | 59.6 | Low | 176 Ų | 176 | 95.6 Ų | 95.6 | 82% | 0.822 | 47% | 0.474 | S | S | * | . | trans | -70.6 | 76.2 | 154.5 | -65 | -171.9 | 160.2 | 0 | 0 | 106.2 | K327 E331 | K327-E329 PolarHBondContact O-N 3.09Å; E329-E331 PolarHBondContact O-N 3.39Å; E329-E331 VanDerWaalsContact O-N 3.11Å | ||
| 330 | L | 52.5 | Low | 61.2 | Low | 108 Ų | 108 | 87.5 Ų | 87.5 | 57% | 0.565 | 44% | 0.439 | S | S | * | . | trans | -62.1 | 110.4 | 162.8 | -78.6 | 165.5 | 0 | 0 | 0 | 105.7 | A328 | A328-L330 HydrophobicContact CB-CG 4.06Å; A328-L330 PolarHBondContact O-N 3.33Å | ||
| 331 | E | 55.5 | Low | 63.2 | Low | 90 Ų | 90 | 77.9 Ų | 77.9 | 42% | 0.421 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 127.7 | 170.1 | -72.2 | 161.1 | 136.1 | 0 | 0 | 107.5 | T225 E329 E333 R437 | T225-E331 VanDerWaalsContact CG2-CD 3.44Å; T225-E331 HydrophobicContact CG2-CG 4.41Å; T225-E331 WeakPolarHBondContact CG2-OE1 3.41Å; E329-E331 PolarHBondContact O-N 3.39Å; E329-E331 VanDerWaalsContact O-N 3.11Å; E331-E333 PolarHBondContact O-N 3.05Å; E331-E333 VanDerWaalsContact O-N 3.14Å; E331-R437 IonicContact OE2-NH2 3.86Å; E331-R437 PolarHBondContact OE2-NH2 3.32Å |
| 332 | P | 56.3 | Low | 65.2 | Low | 61 Ų | 61 | 71.9 Ų | 71.9 | 40% | 0.396 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 120.6 | -170.8 | 25.9 | -33.8 | 0 | 0 | 0 | 109.7 | L176 K334 | L176-P332 HydrophobicContact CD1-CB 3.5Å; L176-P332 VanDerWaalsContact CD1-CB 3.5Å; L176-P332 HydrophobicContact CD1-CG 4.48Å; L176-P332 HydrophobicContact CD2-CB 3.64Å; L176-P332 HydrophobicContact CD2-CG 4.02Å; L176-P332 HydrophobicContact CG-CB 4.16Å; P332-K334 PolarHBondContact O-N 2.92Å |
| 333 | E | 63.9 | Low | 67.5 | Low | 142 Ų | 142 | 68.2 Ų | 68.2 | 66% | 0.664 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 128.9 | 172.5 | -64.7 | 173.9 | -172.5 | 0 | 0 | 109.3 | V228 E331 | V228-E333 HydrophobicContact CG2-CB 3.94Å; V228-E333 HydrophobicContact CG2-CG 3.79Å; E331-E333 PolarHBondContact O-N 3.05Å; E331-E333 VanDerWaalsContact O-N 3.14Å |
| 334 | K | 67.5 | Low | 69.5 | Low | 20 Ų | 20 | 62.3 Ų | 62.3 | 9% | 0.087 | 31% | 0.31 | C | S | . | . | trans | -139.2 | 124.5 | -176.8 | -174 | -142.6 | 160.5 | -157.5 | 0 | 110.7 | S180 T182 D185 S226 P332 S336 | S180-K334 WeakPolarHBondContact O-CE 3.49Å; S180-K334 PolarHBondContact O-NZ 3.26Å; T182-K334 HydrophobicContact CG2-CD 4.12Å; T182-K334 PolarHBondContact OG1-NZ 2.98Å; D185-K334 IonicContact OD1-NZ 3.25Å; D185-K334 PolarHBondContact OD1-NZ 3.46Å; D185-K334 IonicContact OD2-NZ 3.79Å; D185-K334 PolarHBondContact OD2-NZ 2.94Å; S226-K334 PolarHBondContact O-N 3.32Å; P332-K334 PolarHBondContact O-N 2.92Å; K334-S336 PolarHBondContact NZ-OG 3.42Å; K334-S336 PolarHBondContact O-N 3.45Å | ||
| 335 | L | 71.8 | Confident | 71.2 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | trans | -73.4 | 107 | 168 | -177.3 | 67.4 | 0 | 0 | 0 | 110.3 | D231 W247 | D231-L335 HydrophobicContact CB-CD1 3.64Å; W247-L335 HydrophobicContact CH2-CD1 4.25Å; W247-L335 HydrophobicContact CH2-CD2 4.29Å; W247-L335 HydrophobicContact CZ3-CD1 4.26Å; W247-L335 HydrophobicContact CZ3-CD2 3.89Å | ||
| 336 | S | 78.7 | Confident | 72.9 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.007 | 27% | 0.272 | C | S | . | . | trans | -73.7 | 157.1 | 170.3 | -79.9 | 0 | 0 | 0 | 0 | 112.4 | D185 Q227 K334 R341 | D185-S336 WeakPolarHBondContact OD1-CB 3.03Å; D185-S336 PolarHBondContact OD1-OG 3.11Å; Q227-S336 PolarHBondContact NE2-OG 3.12Å; K334-S336 PolarHBondContact NZ-OG 3.42Å; K334-S336 PolarHBondContact O-N 3.45Å; S336-R341 WeakPolarHBondContact O-CD 3.47Å; S336-R341 WeakPolarHBondContact O-CG 3.27Å; S336-R341 PolarHBondContact O-NH1 3.04Å | ||
| 337 | P | 81.2 | Confident | 74.5 | Confident | 8 Ų | 8 | 52 Ų | 52 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | trans | -58.9 | 146.3 | 177.5 | -25.4 | 35.2 | 0 | 0 | 0 | 113.3 | W181 D185 P339 V340 R341 | W181-P337 HydrophobicContact CD2-CB 4.16Å; W181-P337 HydrophobicContact CD2-CG 3.63Å; W181-P337 HydrophobicContact CE3-CB 4.46Å; W181-P337 HydrophobicContact CE3-CG 3.96Å; W181-P337 HydrophobicContact CG-CG 3.89Å; W181-P337 HydrophobicContact CH2-CB 4.18Å; W181-P337 HydrophobicContact CZ2-CB 3.87Å; W181-P337 HydrophobicContact CZ2-CG 4.29Å; W181-P337 HydrophobicContact CZ3-CB 4.47Å; W181-P337 HydrophobicContact CZ3-CG 4.4Å; D185-P337 VanDerWaalsContact CG-CD 3.48Å; D185-P337 WeakPolarHBondContact OD2-CD 3.4Å; P337-P339 VanDerWaalsContact C-CD 3.48Å; P337-P339 VanDerWaalsContact O-N 3.16Å; P337-V340 WeakPolarHBondContact O-CB 3.42Å; P337-V340 PolarHBondContact O-N 3.37Å; P337-R341 PolarHBondContact O-N 3.28Å | ||
| 338 | F | 81 | Confident | 76.2 | Confident | 48 Ų | 48 | 43.5 Ų | 43.5 | 21% | 0.211 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -43.2 | -49.6 | -176.7 | 172 | -97.7 | 0 | 0 | 0 | 115.3 | F234 E244 V340 R341 V342 | F234-F338 HydrophobicContact CD1-CD2 4.01Å; F234-F338 AromaticContact CD1-CE2 3.61Å; F234-F338 HydrophobicContact CD1-CE2 3.61Å; F234-F338 HydrophobicContact CD2-CE2 4.18Å; F234-F338 AromaticContact CE1-CD2 3.3Å; F234-F338 HydrophobicContact CE1-CD2 3.3Å; F234-F338 AromaticContact CE1-CE2 3.4Å; F234-F338 HydrophobicContact CE1-CE2 3.4Å; F234-F338 VanDerWaalsContact CE1-CE2 3.4Å; F234-F338 HydrophobicContact CE2-CD2 4.09Å; F234-F338 AromaticContact CE2-CE2 3.98Å; F234-F338 HydrophobicContact CE2-CE2 3.98Å; F234-F338 HydrophobicContact CG-CE2 4.02Å; F234-F338 AromaticContact CZ-CD2 3.34Å; F234-F338 HydrophobicContact CZ-CD2 3.34Å; F234-F338 AromaticContact CZ-CE2 3.59Å; F234-F338 HydrophobicContact CZ-CE2 3.59Å; F234-F338 HydrophobicContact CZ-CG 4.46Å; E244-F338 HydrophobicContact CB-CD2 4.13Å; E244-F338 HydrophobicContact CB-CE2 4.39Å; E244-F338 HydrophobicContact CG-CB 4.05Å; E244-F338 HydrophobicContact CG-CD2 3.64Å; E244-F338 HydrophobicContact CG-CE2 4.37Å; E244-F338 HydrophobicContact CG-CG 4.07Å; F338-V340 PolarHBondContact O-N 3.37Å; F338-R341 PolarHBondContact O-N 3.35Å; F338-R341 VanDerWaalsContact O-N 3.1Å; F338-V342 HydrophobicContact CD1-CG2 4.38Å; F338-V342 HydrophobicContact CD2-CG2 4.18Å; F338-V342 HydrophobicContact CE1-CG2 3.98Å; F338-V342 HydrophobicContact CE2-CG2 3.78Å; F338-V342 HydrophobicContact CG-CG2 4.47Å; F338-V342 HydrophobicContact CZ-CG2 3.67Å; F338-V342 WeakPolarHBondContact O-CG2 3.47Å; F338-V342 PolarHBondContact O-N 3.07Å |
| 339 | P | 86.7 | Confident | 77.9 | Confident | 60 Ų | 60 | 42.6 Ų | 42.6 | 39% | 0.39 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.7 | -32.8 | -179.2 | -23.5 | 35 | 0 | 0 | 0 | 113.6 | W181 L189 P337 A343 | W181-P339 HydrophobicContact CH2-CG 4.43Å; L189-P339 HydrophobicContact CD1-CB 4.43Å; P337-P339 VanDerWaalsContact C-CD 3.48Å; P337-P339 VanDerWaalsContact O-N 3.16Å; P339-A343 WeakPolarHBondContact O-CB 3.15Å; P339-A343 PolarHBondContact O-N 3.03Å; P339-A343 VanDerWaalsContact O-N 3.07Å |
| 340 | V | 87.9 | Confident | 79.9 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -72.7 | -41.1 | 177.6 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | W181 D185 I188 P337 F338 V342 A343 L344 | W181-V340 HydrophobicContact CH2-CG2 4.33Å; W181-V340 HydrophobicContact CZ3-CG2 3.88Å; D185-V340 HydrophobicContact CB-CG2 4.04Å; I188-V340 HydrophobicContact CB-CG1 4.22Å; I188-V340 HydrophobicContact CD1-CG1 4.31Å; I188-V340 HydrophobicContact CG2-CG1 3.85Å; P337-V340 WeakPolarHBondContact O-CB 3.42Å; P337-V340 PolarHBondContact O-N 3.37Å; F338-V340 PolarHBondContact O-N 3.37Å; V340-V342 PolarHBondContact O-N 3.35Å; V340-A343 PolarHBondContact O-N 3.35Å; V340-L344 HydrophobicContact CG1-CD1 3.96Å; V340-L344 HydrophobicContact CG1-CG 4.37Å; V340-L344 WeakPolarHBondContact O-CB 3.46Å; V340-L344 WeakPolarHBondContact O-CG 3.33Å; V340-L344 PolarHBondContact O-N 2.99Å |
| 341 | R | 85.4 | Confident | 81.8 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.2 | -38.7 | 177.2 | -51.7 | -159 | -49 | -92.6 | 7.2 | 111.8 | D231 F234 E244 S336 P337 F338 K345 | D231-R341 WeakPolarHBondContact O-CD 3.47Å; D231-R341 PolarHBondContact O-NE 2.84Å; D231-R341 PolarHBondContact O-NH2 3.34Å; F234-R341 VanDerWaalsContact CE1-NH2 3.34Å; F234-R341 HydrophobicContact CE2-CB 4.22Å; F234-R341 HydrophobicContact CZ-CB 4.11Å; E244-R341 IonicContact OE1-CZ 2.72Å; E244-R341 IonicContact OE1-NH1 3.38Å; E244-R341 PolarHBondContact OE1-NH1 3.46Å; E244-R341 IonicContact OE1-NH2 2.76Å; E244-R341 PolarHBondContact OE1-NH2 2.9Å; E244-R341 IonicContact OE2-NH2 2.8Å; E244-R341 PolarHBondContact OE2-NH2 3.01Å; S336-R341 WeakPolarHBondContact O-CD 3.47Å; S336-R341 WeakPolarHBondContact O-CG 3.27Å; S336-R341 PolarHBondContact O-NH1 3.04Å; P337-R341 PolarHBondContact O-N 3.28Å; F338-R341 PolarHBondContact O-N 3.35Å; F338-R341 VanDerWaalsContact O-N 3.1Å; R341-K345 VanDerWaalsContact O-CB 3.28Å; R341-K345 WeakPolarHBondContact O-CB 3.43Å; R341-K345 PolarHBondContact O-N 2.89Å |
| 342 | V | 85.9 | Confident | 83.5 | Confident | 41 Ų | 41 | 27 Ų | 27 | 25% | 0.248 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.4 | -46.8 | 172.7 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | F234 F338 V340 K345 N346 | F234-V342 HydrophobicContact CD2-CG2 4.08Å; F234-V342 HydrophobicContact CE2-CG2 3.7Å; F234-V342 HydrophobicContact CZ-CG2 4.39Å; F338-V342 HydrophobicContact CD1-CG2 4.38Å; F338-V342 HydrophobicContact CD2-CG2 4.18Å; F338-V342 HydrophobicContact CE1-CG2 3.98Å; F338-V342 HydrophobicContact CE2-CG2 3.78Å; F338-V342 HydrophobicContact CG-CG2 4.47Å; F338-V342 HydrophobicContact CZ-CG2 3.67Å; F338-V342 WeakPolarHBondContact O-CG2 3.47Å; F338-V342 PolarHBondContact O-N 3.07Å; V340-V342 PolarHBondContact O-N 3.35Å; V342-K345 PolarHBondContact O-N 3.49Å; V342-N346 WeakPolarHBondContact O-CB 3.39Å; V342-N346 VanDerWaalsContact O-CG 3.24Å; V342-N346 PolarHBondContact O-N 3.42Å; V342-N346 PolarHBondContact O-ND2 2.76Å |
| 343 | A | 90.4 | Very high | 85 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 7% | 0.066 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.4 | -48.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | E192 P339 V340 N346 F347 | E192-A343 HydrophobicContact CB-CB 4.2Å; E192-A343 HydrophobicContact CG-CB 4.01Å; P339-A343 WeakPolarHBondContact O-CB 3.15Å; P339-A343 PolarHBondContact O-N 3.03Å; P339-A343 VanDerWaalsContact O-N 3.07Å; V340-A343 PolarHBondContact O-N 3.35Å; A343-N346 PolarHBondContact O-N 1.79Å; A343-F347 WeakPolarHBondContact O-CB 3.35Å; A343-F347 PolarHBondContact O-N 3.08Å |
| 344 | L | 91.1 | Very high | 86.1 | Confident | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66 | -38.7 | 178.9 | -67.7 | 175.2 | 0 | 0 | 0 | 112.6 | I188 L223 L224 Q227 V340 F347 C348 | I188-L344 HydrophobicContact CD1-CD1 4.49Å; I188-L344 HydrophobicContact CG2-CD2 3.87Å; I188-L344 HydrophobicContact CG2-CG 4.14Å; L223-L344 HydrophobicContact CB-CD2 4.28Å; L224-L344 HydrophobicContact CD2-CB 4.28Å; L224-L344 HydrophobicContact CD2-CD1 4.36Å; L224-L344 HydrophobicContact CD2-CD2 4.12Å; L224-L344 HydrophobicContact CD2-CG 4.49Å; Q227-L344 HydrophobicContact CG-CD1 3.82Å; V340-L344 HydrophobicContact CG1-CD1 3.96Å; V340-L344 HydrophobicContact CG1-CG 4.37Å; V340-L344 WeakPolarHBondContact O-CB 3.46Å; V340-L344 WeakPolarHBondContact O-CG 3.33Å; V340-L344 PolarHBondContact O-N 2.99Å; L344-F347 PolarHBondContact O-N 3.28Å; L344-C348 WeakPolarHBondContact O-CB 3.47Å; L344-C348 PolarHBondContact O-N 3.18Å; L344-C348 PolarHBondContact O-SG 3.07Å |
| 345 | K | 87.8 | Confident | 87.1 | Confident | 13 Ų | 13 | 29.2 Ų | 29.2 | 6% | 0.057 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.9 | -52 | 171.9 | 176.7 | -172 | 172.1 | -171.9 | 0 | 110.7 | E236 R341 V342 F347 C348 C349 Y395 | E236-K345 WeakPolarHBondContact OE1-CE 3.49Å; E236-K345 IonicContact OE1-NZ 2.67Å; E236-K345 PolarHBondContact OE1-NZ 3Å; R341-K345 VanDerWaalsContact O-CB 3.28Å; R341-K345 WeakPolarHBondContact O-CB 3.43Å; R341-K345 PolarHBondContact O-N 2.89Å; V342-K345 PolarHBondContact O-N 3.49Å; K345-F347 VanDerWaalsContact C-N 3.34Å; K345-F347 PolarHBondContact O-N 3.48Å; K345-C348 PolarHBondContact O-N 3.42Å; K345-C349 WeakPolarHBondContact O-CB 3.39Å; K345-C349 PolarHBondContact O-N 3.22Å; K345-C349 PolarHBondContact O-SG 3.41Å; K345-C349 VanDerWaalsContact O-SG 3.36Å; K345-Y395 HydrophobicContact CD-CE1 3.94Å; K345-Y395 WeakPolarHBondContact CD-OH 3.33Å; K345-Y395 HydrophobicContact CG-CE1 4.3Å; K345-Y395 HydrophobicContact CG-CE2 4.49Å; K345-Y395 WeakPolarHBondContact CG-OH 3.38Å |
| 346 | N | 89.8 | Confident | 88 | Confident | 85 Ų | 85 | 29.1 Ų | 29.1 | 46% | 0.455 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -62.6 | -41.2 | -178 | -70.1 | -12.9 | 0 | 0 | 0 | 111.9 | V342 A343 S350 | V342-N346 WeakPolarHBondContact O-CB 3.39Å; V342-N346 VanDerWaalsContact O-CG 3.24Å; V342-N346 PolarHBondContact O-N 3.42Å; V342-N346 PolarHBondContact O-ND2 2.76Å; A343-N346 PolarHBondContact O-N 1.79Å; N346-S350 WeakPolarHBondContact O-CB 3.35Å; N346-S350 PolarHBondContact O-N 2.79Å; N346-S350 PolarHBondContact O-OG 3.08Å |
| 347 | F | 92.8 | Very high | 88.6 | Confident | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.026 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61 | -49.8 | 173.6 | 175.4 | -101.8 | 0 | 0 | 0 | 111.9 | L197 L200 L201 I220 L223 A343 L344 K345 C349 S350 L351 | L197-F347 HydrophobicContact CB-CD2 3.89Å; L197-F347 HydrophobicContact CB-CE2 4.27Å; L197-F347 HydrophobicContact CD1-CB 4.42Å; L197-F347 HydrophobicContact CD1-CD2 4.47Å; L197-F347 HydrophobicContact CD1-CG 4.48Å; L197-F347 WeakPolarHBondContact O-CE2 3.25Å; L200-F347 HydrophobicContact CB-CE2 4.14Å; L200-F347 HydrophobicContact CB-CZ 4.33Å; L201-F347 HydrophobicContact CD1-CD2 4.31Å; L201-F347 HydrophobicContact CD2-CD2 3.9Å; L201-F347 HydrophobicContact CD2-CE2 3.65Å; L201-F347 HydrophobicContact CD2-CZ 4.36Å; L201-F347 HydrophobicContact CG-CD2 3.99Å; L201-F347 HydrophobicContact CG-CE2 3.8Å; I220-F347 HydrophobicContact CD1-CZ 4.28Å; I220-F347 HydrophobicContact CG1-CE1 3.96Å; I220-F347 HydrophobicContact CG1-CZ 3.85Å; I220-F347 HydrophobicContact CG2-CE1 4.5Å; L223-F347 HydrophobicContact CD1-CE1 4.25Å; L223-F347 HydrophobicContact CD1-CZ 4.47Å; A343-F347 WeakPolarHBondContact O-CB 3.35Å; A343-F347 PolarHBondContact O-N 3.08Å; L344-F347 PolarHBondContact O-N 3.28Å; K345-F347 VanDerWaalsContact C-N 3.34Å; K345-F347 PolarHBondContact O-N 3.48Å; F347-C349 PolarHBondContact O-N 3.04Å; F347-S350 PolarHBondContact O-N 2.84Å; F347-L351 HydrophobicContact CE1-CD2 4.34Å; F347-L351 WeakPolarHBondContact O-CB 3.47Å; F347-L351 PolarHBondContact O-N 3.49Å |
| 348 | C | 91.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.1 | -45.5 | 179 | -68.6 | 0 | 0 | 0 | 0 | 112.2 | L344 K345 S350 L351 L352 F388 F391 | L344-C348 WeakPolarHBondContact O-CB 3.47Å; L344-C348 PolarHBondContact O-N 3.18Å; L344-C348 PolarHBondContact O-SG 3.07Å; K345-C348 PolarHBondContact O-N 3.42Å; C348-S350 VanDerWaalsContact C-N 3.3Å; C348-S350 PolarHBondContact O-N 3.35Å; C348-L351 PolarHBondContact O-N 2.83Å; C348-L352 WeakPolarHBondContact O-CB 3.44Å; C348-L352 WeakPolarHBondContact O-CD1 3.4Å; C348-L352 VanDerWaalsContact O-CG 3.27Å; C348-L352 WeakPolarHBondContact O-CG 3.26Å; C348-L352 PolarHBondContact O-N 2.99Å; C348-F388 HydrophobicContact CB-CE1 4.35Å; C348-F391 HydrophobicContact CB-CD1 4.45Å; C348-F391 HydrophobicContact CB-CD2 4.34Å; C348-F391 HydrophobicContact CB-CE1 3.79Å; C348-F391 HydrophobicContact CB-CE2 3.66Å; C348-F391 HydrophobicContact CB-CZ 3.35Å |
| 349 | C | 89.4 | Confident | 89.6 | Confident | 17 Ų | 17 | 30.4 Ų | 30.4 | 12% | 0.115 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.1 | -38.7 | 175.2 | -72.1 | 0 | 0 | 0 | 0 | 112.5 | K345 F347 R353 | K345-C349 WeakPolarHBondContact O-CB 3.39Å; K345-C349 PolarHBondContact O-N 3.22Å; K345-C349 PolarHBondContact O-SG 3.41Å; K345-C349 VanDerWaalsContact O-SG 3.36Å; F347-C349 PolarHBondContact O-N 3.04Å; C349-R353 WeakPolarHBondContact O-CD 3.46Å; C349-R353 VanDerWaalsContact O-CG 3.24Å; C349-R353 WeakPolarHBondContact O-CG 3.29Å; C349-R353 PolarHBondContact O-N 3.28Å |
| 350 | S | 91.4 | Very high | 89.8 | Confident | 43 Ų | 43 | 27.6 Ų | 27.6 | 30% | 0.301 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -72.3 | -41.3 | 178.9 | -57.1 | 0 | 0 | 0 | 0 | 112 | N346 F347 C348 R353 T354 | N346-S350 WeakPolarHBondContact O-CB 3.35Å; N346-S350 PolarHBondContact O-N 2.79Å; N346-S350 PolarHBondContact O-OG 3.08Å; F347-S350 PolarHBondContact O-N 2.84Å; C348-S350 VanDerWaalsContact C-N 3.3Å; C348-S350 PolarHBondContact O-N 3.35Å; S350-R353 PolarHBondContact O-N 3.44Å; S350-T354 PolarHBondContact O-N 3.16Å; S350-T354 PolarHBondContact O-OG1 3.46Å |
| 351 | L | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.6 | -50.8 | 175.5 | 178.6 | 64 | 0 | 0 | 0 | 111.2 | L201 A204 I220 F347 C348 R353 T354 G355 F356 L359 F388 | L201-L351 HydrophobicContact CD2-CB 3.71Å; L201-L351 HydrophobicContact CD2-CD1 4.19Å; A204-L351 HydrophobicContact CB-CD1 3.65Å; I220-L351 HydrophobicContact CD1-CD1 4.32Å; I220-L351 HydrophobicContact CD1-CD2 3.84Å; I220-L351 HydrophobicContact CG2-CD2 4.21Å; F347-L351 HydrophobicContact CE1-CD2 4.34Å; F347-L351 WeakPolarHBondContact O-CB 3.47Å; F347-L351 PolarHBondContact O-N 3.49Å; C348-L351 PolarHBondContact O-N 2.83Å; L351-R353 VanDerWaalsContact C-N 3.26Å; L351-R353 PolarHBondContact O-N 3.46Å; L351-T354 PolarHBondContact O-N 3.15Å; L351-G355 PolarHBondContact O-N 3.2Å; L351-F356 HydrophobicContact CD2-CD2 4.36Å; L351-F356 HydrophobicContact CG-CB 4.3Å; L351-F356 HydrophobicContact CG-CD2 4.35Å; L351-F356 WeakPolarHBondContact O-CB 3.45Å; L351-F356 PolarHBondContact O-N 2.95Å; L351-L359 HydrophobicContact CD1-CD2 4.13Å; L351-F388 HydrophobicContact CD2-CE1 3.99Å; L351-F388 HydrophobicContact CD2-CZ 3.73Å |
| 352 | L | 91 | Very high | 90 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.6 | -33.4 | 179.2 | -75.6 | 166.9 | 0 | 0 | 0 | 113.4 | C348 F356 F388 F391 C392 L397 L402 | C348-L352 WeakPolarHBondContact O-CB 3.44Å; C348-L352 WeakPolarHBondContact O-CD1 3.4Å; C348-L352 VanDerWaalsContact O-CG 3.27Å; C348-L352 WeakPolarHBondContact O-CG 3.26Å; C348-L352 PolarHBondContact O-N 2.99Å; L352-F356 HydrophobicContact CD2-CB 4.34Å; L352-F356 HydrophobicContact CD2-CD1 3.93Å; L352-F356 HydrophobicContact CD2-CD2 4.34Å; L352-F356 HydrophobicContact CD2-CE1 4.3Å; L352-F356 HydrophobicContact CD2-CG 3.94Å; L352-F388 HydrophobicContact CD1-CD1 4.25Å; L352-F388 HydrophobicContact CD2-CB 4.31Å; L352-F388 HydrophobicContact CD2-CD1 3.92Å; L352-F388 HydrophobicContact CD2-CG 4.44Å; L352-F388 HydrophobicContact CG-CD1 4.08Å; L352-F391 HydrophobicContact CD1-CD1 3.61Å; L352-F391 HydrophobicContact CD1-CE1 3.85Å; L352-C392 WeakPolarHBondContact CD1-SG 3.45Å; L352-L397 HydrophobicContact CD1-CD1 4.05Å; L352-L402 HydrophobicContact CD2-CD2 4.14Å |
| 353 | R | 87.9 | Confident | 90.2 | Very high | 183 Ų | 183 | 28.9 Ų | 28.9 | 69% | 0.691 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -79.4 | -26.3 | 178.5 | -73.5 | 171.8 | -178.2 | 169.1 | 1.4 | 114.4 | C349 S350 L351 | C349-R353 WeakPolarHBondContact O-CD 3.46Å; C349-R353 VanDerWaalsContact O-CG 3.24Å; C349-R353 WeakPolarHBondContact O-CG 3.29Å; C349-R353 PolarHBondContact O-N 3.28Å; S350-R353 PolarHBondContact O-N 3.44Å; L351-R353 VanDerWaalsContact C-N 3.26Å; L351-R353 PolarHBondContact O-N 3.46Å |
| 354 | T | 87.3 | Confident | 90.1 | Very high | 85 Ų | 85 | 30.6 Ų | 30.6 | 52% | 0.521 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -130.5 | -29.5 | -162.5 | 62 | 0 | 0 | 0 | 0 | 116.5 | S350 L351 | S350-T354 PolarHBondContact O-N 3.16Å; S350-T354 PolarHBondContact O-OG1 3.46Å; L351-T354 PolarHBondContact O-N 3.15Å |
| 355 | G | 87.3 | Confident | 89.8 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.3 | -16.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L351 C357 Q358 L359 | L351-G355 PolarHBondContact O-N 3.2Å; G355-C357 PolarHBondContact O-N 2.95Å; G355-Q358 PolarHBondContact O-N 2.85Å; G355-L359 WeakPolarHBondContact O-CB 3.39Å; G355-L359 PolarHBondContact O-N 3.05Å |
| 356 | F | 92 | Very high | 89.6 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | -171.6 | -173.9 | -106.9 | 0 | 0 | 0 | 113.9 | L351 L352 Q358 L359 M360 F388 L402 L405 | L351-F356 HydrophobicContact CD2-CD2 4.36Å; L351-F356 HydrophobicContact CG-CB 4.3Å; L351-F356 HydrophobicContact CG-CD2 4.35Å; L351-F356 WeakPolarHBondContact O-CB 3.45Å; L351-F356 PolarHBondContact O-N 2.95Å; L352-F356 HydrophobicContact CD2-CB 4.34Å; L352-F356 HydrophobicContact CD2-CD1 3.93Å; L352-F356 HydrophobicContact CD2-CD2 4.34Å; L352-F356 HydrophobicContact CD2-CE1 4.3Å; L352-F356 HydrophobicContact CD2-CG 3.94Å; F356-Q358 PolarHBondContact O-N 2.68Å; F356-L359 PolarHBondContact O-N 3.19Å; F356-M360 HydrophobicContact CD1-CG 4.24Å; F356-M360 HydrophobicContact CD2-CG 4.1Å; F356-M360 HydrophobicContact CE1-CG 3.85Å; F356-M360 HydrophobicContact CE2-CG 3.68Å; F356-M360 HydrophobicContact CE2-SD 4.01Å; F356-M360 HydrophobicContact CG-CG 4.36Å; F356-M360 HydrophobicContact CZ-CG 3.55Å; F356-M360 HydrophobicContact CZ-SD 4.13Å; F356-M360 WeakPolarHBondContact O-CB 3.49Å; F356-M360 WeakPolarHBondContact O-CG 3.44Å; F356-M360 PolarHBondContact O-N 2.96Å; F356-F388 HydrophobicContact CD2-CD2 4.33Å; F356-F388 HydrophobicContact CD2-CG 4.31Å; F356-F388 HydrophobicContact CE1-CB 4.37Å; F356-F388 HydrophobicContact CE2-CB 3.92Å; F356-F388 HydrophobicContact CE2-CD1 4.15Å; F356-F388 AromaticContact CE2-CD2 3.38Å; F356-F388 HydrophobicContact CE2-CD2 3.38Å; F356-F388 AromaticContact CE2-CE2 3.88Å; F356-F388 HydrophobicContact CE2-CE2 3.88Å; F356-F388 AromaticContact CE2-CG 3.53Å; F356-F388 HydrophobicContact CE2-CG 3.53Å; F356-F388 HydrophobicContact CE2-CZ 4.46Å; F356-F388 HydrophobicContact CZ-CB 3.62Å; F356-F388 AromaticContact CZ-CD2 3.89Å; F356-F388 HydrophobicContact CZ-CD2 3.89Å; F356-F388 AromaticContact CZ-CG 3.81Å; F356-F388 HydrophobicContact CZ-CG 3.81Å; F356-L402 HydrophobicContact CD1-CD2 4.36Å; F356-L402 HydrophobicContact CE1-CD2 4.11Å; F356-L405 HydrophobicContact CE1-CD1 3.68Å; F356-L405 HydrophobicContact CE1-CG 4.4Å; F356-L405 HydrophobicContact CZ-CD1 3.72Å |
| 357 | C | 90.5 | Very high | 89.4 | Confident | 41 Ų | 41 | 32 Ų | 32 | 28% | 0.277 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62 | -43.9 | -179.2 | -42.3 | 0 | 0 | 0 | 0 | 111.6 | G355 N361 N401 I404 | G355-C357 PolarHBondContact O-N 2.95Å; C357-N361 VanDerWaalsContact O-CB 3.28Å; C357-N361 WeakPolarHBondContact O-CB 3.45Å; C357-N361 PolarHBondContact O-N 2.84Å; C357-N401 PolarHBondContact SG-O 3.01Å; C357-I404 WeakPolarHBondContact O-CD1 3.39Å |
| 358 | Q | 90.9 | Very high | 89 | Confident | 43 Ų | 43 | 36 Ų | 36 | 20% | 0.201 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.6 | -44.3 | 179.1 | 179.2 | 58 | 30.4 | 0 | 0 | 111.2 | H207 G355 F356 N361 T362 | H207-Q358 PolarHBondContact CE1-OE1 3.23Å; H207-Q358 VanDerWaalsContact ND1-CD 3.25Å; H207-Q358 PolarHBondContact ND1-NE2 3.23Å; H207-Q358 PolarHBondContact ND1-OE1 3.4Å; G355-Q358 PolarHBondContact O-N 2.85Å; F356-Q358 PolarHBondContact O-N 2.68Å; Q358-N361 PolarHBondContact O-N 3.02Å; Q358-T362 PolarHBondContact NE2-OG1 3.23Å; Q358-T362 PolarHBondContact O-N 3Å; Q358-T362 PolarHBondContact O-OG1 2.98Å |
| 359 | L | 91.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -55.6 | -52 | 175.1 | -179.2 | 67 | 0 | 0 | 0 | 111.5 | A204 Q213 C216 L217 I220 L351 G355 F356 T362 C363 | A204-L359 HydrophobicContact CB-CB 4.45Å; A204-L359 HydrophobicContact CB-CD2 4.49Å; Q213-L359 HydrophobicContact CB-CD1 3.89Å; Q213-L359 HydrophobicContact CG-CD1 4.24Å; Q213-L359 WeakPolarHBondContact O-CD1 3.46Å; C216-L359 HydrophobicContact CB-CD1 4.28Å; L217-L359 HydrophobicContact CB-CD1 4.23Å; L217-L359 HydrophobicContact CB-CG 4.48Å; L217-L359 HydrophobicContact CD1-CD2 4.04Å; L217-L359 HydrophobicContact CD1-CG 4.46Å; I220-L359 HydrophobicContact CD1-CD2 3.63Å; L351-L359 HydrophobicContact CD1-CD2 4.13Å; G355-L359 WeakPolarHBondContact O-CB 3.39Å; G355-L359 PolarHBondContact O-N 3.05Å; F356-L359 PolarHBondContact O-N 3.19Å; L359-T362 PolarHBondContact O-N 2.94Å; L359-C363 PolarHBondContact O-N 3.04Å; L359-C363 VanDerWaalsContact O-N 3.08Å; L359-C363 PolarHBondContact O-SG 2.92Å |
| 360 | M | 92.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.9 | -36.1 | -179.2 | -65.7 | -54.3 | -74.6 | 0 | 0 | 112.4 | L217 F356 C363 Y364 Y381 A384 I404 L405 | L217-M360 HydrophobicContact CD1-SD 4.17Å; L217-M360 HydrophobicContact CD2-SD 4.1Å; F356-M360 HydrophobicContact CD1-CG 4.24Å; F356-M360 HydrophobicContact CD2-CG 4.1Å; F356-M360 HydrophobicContact CE1-CG 3.85Å; F356-M360 HydrophobicContact CE2-CG 3.68Å; F356-M360 HydrophobicContact CE2-SD 4.01Å; F356-M360 HydrophobicContact CG-CG 4.36Å; F356-M360 HydrophobicContact CZ-CG 3.55Å; F356-M360 HydrophobicContact CZ-SD 4.13Å; F356-M360 WeakPolarHBondContact O-CB 3.49Å; F356-M360 WeakPolarHBondContact O-CG 3.44Å; F356-M360 PolarHBondContact O-N 2.96Å; M360-C363 PolarHBondContact O-N 3.39Å; M360-Y364 WeakPolarHBondContact O-CB 3.46Å; M360-Y364 PolarHBondContact O-N 3.43Å; M360-Y381 HydrophobicContact CE-CD2 3.44Å; M360-Y381 VanDerWaalsContact CE-CD2 3.44Å; M360-Y381 HydrophobicContact CE-CE2 3.61Å; M360-Y381 HydrophobicContact CE-CG 4.01Å; M360-A384 HydrophobicContact CE-CB 3.68Å; M360-A384 HydrophobicContact SD-CB 3.89Å; M360-I404 HydrophobicContact CB-CD1 4.32Å; M360-I404 HydrophobicContact CB-CG2 4.23Å; M360-L405 HydrophobicContact CE-CD2 3.85Å |
| 361 | N | 89.6 | Confident | 85.5 | Confident | 65 Ų | 65 | 51.8 Ų | 51.8 | 35% | 0.348 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 176 | -168.3 | 20.9 | 0 | 0 | 0 | 111.8 | C357 Q358 C363 Y364 Q365 I404 | C357-N361 VanDerWaalsContact O-CB 3.28Å; C357-N361 WeakPolarHBondContact O-CB 3.45Å; C357-N361 PolarHBondContact O-N 2.84Å; Q358-N361 PolarHBondContact O-N 3.02Å; N361-C363 VanDerWaalsContact C-N 3.32Å; N361-C363 PolarHBondContact O-N 3.15Å; N361-Y364 PolarHBondContact O-N 3.41Å; N361-Q365 VanDerWaalsContact O-CB 3.32Å; N361-Q365 WeakPolarHBondContact O-CB 3.46Å; N361-Q365 VanDerWaalsContact O-CG 3.22Å; N361-Q365 WeakPolarHBondContact O-CG 3.39Å; N361-Q365 PolarHBondContact O-N 2.89Å; N361-I404 HydrophobicContact CB-CD1 3.4Å; N361-I404 VanDerWaalsContact N-CD1 3.34Å |
| 362 | T | 88 | Confident | 83.6 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 175.4 | -66.7 | 0 | 0 | 0 | 0 | 111.1 | R210 Q213 Q358 L359 Q365 T366 | R210-T362 HydrophobicContact CG-CG2 3.52Å; R210-T362 WeakPolarHBondContact O-CG2 3.32Å; Q213-T362 HydrophobicContact CB-CG2 3.99Å; Q213-T362 VanDerWaalsContact OE1-CB 3.26Å; Q213-T362 PolarHBondContact OE1-OG1 3.18Å; Q358-T362 PolarHBondContact NE2-OG1 3.23Å; Q358-T362 PolarHBondContact O-N 3Å; Q358-T362 PolarHBondContact O-OG1 2.98Å; L359-T362 PolarHBondContact O-N 2.94Å; T362-Q365 PolarHBondContact O-N 3.31Å; T362-T366 PolarHBondContact O-N 2.95Å; T362-T366 PolarHBondContact O-OG1 2.87Å |
| 363 | C | 88.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 178.2 | -65.1 | 0 | 0 | 0 | 0 | 112.3 | L217 L359 M360 N361 Q365 T366 I367 Y381 | L217-C363 HydrophobicContact CD2-CB 4.19Å; L359-C363 PolarHBondContact O-N 3.04Å; L359-C363 VanDerWaalsContact O-N 3.08Å; L359-C363 PolarHBondContact O-SG 2.92Å; M360-C363 PolarHBondContact O-N 3.39Å; N361-C363 VanDerWaalsContact C-N 3.32Å; N361-C363 PolarHBondContact O-N 3.15Å; C363-Q365 PolarHBondContact O-N 3.48Å; C363-T366 PolarHBondContact O-N 3.47Å; C363-I367 WeakPolarHBondContact O-CG1 3.44Å; C363-I367 PolarHBondContact O-N 3.14Å; C363-Y381 HydrophobicContact CB-CD2 4.5Å |
| 364 | Y | 88.8 | Confident | 81.5 | Confident | 44 Ų | 44 | 58 Ų | 58 | 17% | 0.173 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.1 | -47.2 | 174.7 | -179.3 | -99 | 0 | 0 | 0 | 111.7 | M360 N361 T366 I367 M368 Y381 F413 | M360-Y364 WeakPolarHBondContact O-CB 3.46Å; M360-Y364 PolarHBondContact O-N 3.43Å; N361-Y364 PolarHBondContact O-N 3.41Å; Y364-T366 VanDerWaalsContact C-N 3.31Å; Y364-T366 PolarHBondContact O-N 3Å; Y364-I367 PolarHBondContact O-N 3.43Å; Y364-M368 HydrophobicContact CD1-CG 4.12Å; Y364-M368 HydrophobicContact CD2-CE 4.43Å; Y364-M368 HydrophobicContact CE1-CG 3.75Å; Y364-M368 HydrophobicContact CE2-CE 3.72Å; Y364-M368 HydrophobicContact CE2-CG 4.19Å; Y364-M368 HydrophobicContact CG-CG 4.49Å; Y364-M368 WeakPolarHBondContact O-CB 3.39Å; Y364-M368 WeakPolarHBondContact O-CG 3.07Å; Y364-M368 PolarHBondContact O-N 2.86Å; Y364-Y381 HydrophobicContact CD2-CE2 4.24Å; Y364-F413 HydrophobicContact CD2-CD1 4.25Å; Y364-F413 HydrophobicContact CD2-CE1 4.43Å; Y364-F413 HydrophobicContact CE2-CB 4.24Å; Y364-F413 AromaticContact CE2-CD1 3.96Å; Y364-F413 HydrophobicContact CE2-CD1 3.96Å; Y364-F413 HydrophobicContact CE2-CD2 4.45Å; Y364-F413 HydrophobicContact CE2-CE1 4.47Å; Y364-F413 AromaticContact CE2-CG 3.94Å; Y364-F413 HydrophobicContact CE2-CG 3.94Å |
| 365 | Q | 86.4 | Confident | 81 | Confident | 59 Ų | 59 | 62 Ų | 62 | 28% | 0.276 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.5 | -36 | 176 | -73.9 | -73.7 | -41.3 | 0 | 0 | 112.8 | N361 T362 C363 R369 | N361-Q365 VanDerWaalsContact O-CB 3.32Å; N361-Q365 WeakPolarHBondContact O-CB 3.46Å; N361-Q365 VanDerWaalsContact O-CG 3.22Å; N361-Q365 WeakPolarHBondContact O-CG 3.39Å; N361-Q365 PolarHBondContact O-N 2.89Å; T362-Q365 PolarHBondContact O-N 3.31Å; C363-Q365 PolarHBondContact O-N 3.48Å; Q365-R369 WeakPolarHBondContact O-CB 3.48Å; Q365-R369 VanDerWaalsContact O-CD 3.24Å; Q365-R369 WeakPolarHBondContact O-CD 3.35Å; Q365-R369 WeakPolarHBondContact O-CG 3.45Å; Q365-R369 PolarHBondContact O-N 3.49Å; Q365-R369 VanDerWaalsContact O-N 3.11Å; Q365-R369 VanDerWaalsContact OE1-NE 3.15Å |
| 366 | T | 82.8 | Confident | 80.9 | Confident | 57 Ų | 57 | 66.6 Ų | 66.6 | 35% | 0.35 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.5 | -37.7 | 175.1 | -62.8 | 0 | 0 | 0 | 0 | 111.9 | T362 C363 Y364 G370 | T362-T366 PolarHBondContact O-N 2.95Å; T362-T366 PolarHBondContact O-OG1 2.87Å; C363-T366 PolarHBondContact O-N 3.47Å; Y364-T366 VanDerWaalsContact C-N 3.31Å; Y364-T366 PolarHBondContact O-N 3Å; T366-G370 PolarHBondContact O-N 3.07Å |
| 367 | I | 86.1 | Confident | 80.5 | Confident | 15 Ų | 15 | 66.5 Ų | 66.5 | 8% | 0.077 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.6 | -46.8 | 174.9 | -65.3 | 159.5 | 0 | 0 | 0 | 110.4 | C363 Y364 R369 G370 A377 Y381 F413 | C363-I367 WeakPolarHBondContact O-CG1 3.44Å; C363-I367 PolarHBondContact O-N 3.14Å; Y364-I367 PolarHBondContact O-N 3.43Å; I367-R369 VanDerWaalsContact C-N 3.33Å; I367-R369 PolarHBondContact O-N 3.03Å; I367-G370 PolarHBondContact O-N 3.42Å; I367-A377 HydrophobicContact CD1-CB 4.41Å; I367-A377 HydrophobicContact CG1-CB 3.88Å; I367-Y381 HydrophobicContact CD1-CD2 4.31Å; I367-Y381 HydrophobicContact CD1-CG 4.1Å; I367-F413 HydrophobicContact CG2-CE2 4.38Å; I367-F413 HydrophobicContact CG2-CZ 4.01Å |
| 368 | M | 83.6 | Confident | 80.5 | Confident | 91 Ų | 91 | 64.6 Ų | 64.6 | 45% | 0.448 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.2 | -26.5 | -178.4 | -69.9 | -66.4 | 137.2 | 0 | 0 | 114.4 | Y364 F413 | Y364-M368 HydrophobicContact CD1-CG 4.12Å; Y364-M368 HydrophobicContact CD2-CE 4.43Å; Y364-M368 HydrophobicContact CE1-CG 3.75Å; Y364-M368 HydrophobicContact CE2-CE 3.72Å; Y364-M368 HydrophobicContact CE2-CG 4.19Å; Y364-M368 HydrophobicContact CG-CG 4.49Å; Y364-M368 WeakPolarHBondContact O-CB 3.39Å; Y364-M368 WeakPolarHBondContact O-CG 3.07Å; Y364-M368 PolarHBondContact O-N 2.86Å; M368-F413 HydrophobicContact CE-CD2 3.26Å; M368-F413 HydrophobicContact CE-CE2 3.25Å; M368-F413 HydrophobicContact CE-CG 4.07Å; M368-F413 HydrophobicContact CE-CZ 4.04Å |
| 369 | R | 80.9 | Confident | 80.4 | Confident | 156 Ų | 156 | 63.8 Ų | 63.8 | 59% | 0.589 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -90.9 | -9.8 | 178.5 | -67.8 | 167.4 | -168.4 | -135.9 | -4.6 | 113.8 | Q365 I367 E371 | Q365-R369 WeakPolarHBondContact O-CB 3.48Å; Q365-R369 VanDerWaalsContact O-CD 3.24Å; Q365-R369 WeakPolarHBondContact O-CD 3.35Å; Q365-R369 WeakPolarHBondContact O-CG 3.45Å; Q365-R369 PolarHBondContact O-N 3.49Å; Q365-R369 VanDerWaalsContact O-N 3.11Å; Q365-R369 VanDerWaalsContact OE1-NE 3.15Å; I367-R369 VanDerWaalsContact C-N 3.33Å; I367-R369 PolarHBondContact O-N 3.03Å; R369-E371 PolarHBondContact O-N 3.47Å |
| 370 | G | 65.4 | Low | 80.3 | Confident | 32 Ų | 32 | 63.8 Ų | 63.8 | 33% | 0.33 | 30% | 0.299 | S | S | . | . | trans | -73.9 | 105.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T366 I367 T372 | T366-G370 PolarHBondContact O-N 3.07Å; I367-G370 PolarHBondContact O-N 3.42Å; G370-T372 CarbonylContact O-C 3.53Å; G370-T372 PolarHBondContact O-N 3.28Å; G370-T372 VanDerWaalsContact O-N 3.11Å | ||
| 371 | E | 51.5 | Low | 80.3 | Confident | 204 Ų | 204 | 64 Ų | 64 | 95% | 0.953 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -51.2 | -32.3 | 169.5 | -64.5 | 176.4 | 171.9 | 0 | 0 | 112 | R369 | R369-E371 PolarHBondContact O-N 3.47Š|
| 372 | T | 53.2 | Low | 80.5 | Confident | 113 Ų | 113 | 60.9 Ų | 60.9 | 69% | 0.693 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -106.8 | 122.9 | 162.3 | 48 | 0 | 0 | 0 | 0 | 109 | G370 N374 | G370-T372 CarbonylContact O-C 3.53Å; G370-T372 PolarHBondContact O-N 3.28Å; G370-T372 VanDerWaalsContact O-N 3.11Å; T372-N374 PolarHBondContact O-N 3.01Å |
| 373 | R | 61.5 | Low | 80.8 | Confident | 143 Ų | 143 | 61.8 Ų | 61.8 | 54% | 0.54 | 29% | 0.286 | S | S | . | . | trans | -57 | 100.1 | 173.7 | -80.4 | 179.2 | 165.4 | 175.9 | -7 | 109.1 | W375 | R373-W375 VanDerWaalsContact C-N 3.33Å; R373-W375 VanDerWaalsContact O-CD1 3.28Å; R373-W375 PolarHBondContact O-N 3.19Å; R373-W375 PolarHBondContact O-NE1 2.83Å | ||
| 374 | N | 72.7 | Confident | 81 | Confident | 63 Ų | 63 | 61.8 Ų | 61.8 | 34% | 0.337 | 29% | 0.286 | S | S | . | . | trans | -67.8 | 93.3 | 176.4 | -177.8 | -20.7 | 0 | 0 | 0 | 109.1 | T372 W376 A377 T378 | T372-N374 PolarHBondContact O-N 3.01Å; N374-W376 PolarHBondContact O-N 3.12Å; N374-W376 PolarHBondContact OD1-N 3.28Å; N374-A377 HydrophobicContact CB-CB 3.84Å; N374-A377 WeakPolarHBondContact O-CB 3.37Å; N374-A377 PolarHBondContact O-N 3.14Å; N374-A377 PolarHBondContact OD1-N 3.11Å; N374-T378 PolarHBondContact O-N 3.11Å; N374-T378 VanDerWaalsContact O-N 3.13Å | ||
| 375 | W | 77.8 | Confident | 81.1 | Confident | 169 Ų | 169 | 59.9 Ų | 59.9 | 64% | 0.64 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -58.5 | -39.5 | -170.6 | -39.2 | -79.1 | 0 | 0 | 0 | 112.2 | R373 T378 E379 | R373-W375 VanDerWaalsContact C-N 3.33Å; R373-W375 VanDerWaalsContact O-CD1 3.28Å; R373-W375 PolarHBondContact O-N 3.19Å; R373-W375 PolarHBondContact O-NE1 2.83Å; W375-T378 PolarHBondContact O-N 3.14Å; W375-E379 PolarHBondContact O-N 3.02Å |
| 376 | W | 84.1 | Confident | 81.4 | Confident | 97 Ų | 97 | 57.3 Ų | 57.3 | 37% | 0.367 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.3 | -34.1 | 178.1 | -178.8 | -105.4 | 0 | 0 | 0 | 112.3 | F214 E218 R221 N374 E379 C380 | F214-W376 AromaticContact CZ-CD1 3.99Å; E218-W376 PolarHBondContact OE1-NE1 2.87Å; R221-W376 VanDerWaalsContact NH1-CH2 3.34Å; N374-W376 PolarHBondContact O-N 3.12Å; N374-W376 PolarHBondContact OD1-N 3.28Å; W376-E379 WeakPolarHBondContact CZ3-OE2 3.41Å; W376-E379 PolarHBondContact O-N 2.89Å; W376-C380 PolarHBondContact O-N 2.94Å; W376-C380 PolarHBondContact O-SG 3.05Å; W376-C380 VanDerWaalsContact O-SG 3.35Å |
| 377 | A | 85.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F214 I367 N374 C380 Y381 | F214-A377 HydrophobicContact CD2-CB 4.18Å; F214-A377 HydrophobicContact CE1-CB 4.43Å; F214-A377 VanDerWaalsContact CE2-CA 3.42Å; F214-A377 HydrophobicContact CE2-CB 3.39Å; F214-A377 VanDerWaalsContact CZ-CA 3.46Å; F214-A377 HydrophobicContact CZ-CB 3.53Å; I367-A377 HydrophobicContact CD1-CB 4.41Å; I367-A377 HydrophobicContact CG1-CB 3.88Å; N374-A377 HydrophobicContact CB-CB 3.84Å; N374-A377 WeakPolarHBondContact O-CB 3.37Å; N374-A377 PolarHBondContact O-N 3.14Å; N374-A377 PolarHBondContact OD1-N 3.11Å; A377-C380 PolarHBondContact O-N 3.39Å; A377-Y381 PolarHBondContact O-N 3.48Å |
| 378 | T | 88.8 | Confident | 82.1 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 174.1 | -48.1 | 0 | 0 | 0 | 0 | 111.6 | N374 W375 C380 Y381 L382 F413 E417 R438 | N374-T378 PolarHBondContact O-N 3.11Å; N374-T378 VanDerWaalsContact O-N 3.13Å; W375-T378 PolarHBondContact O-N 3.14Å; T378-C380 PolarHBondContact O-N 3.17Å; T378-Y381 PolarHBondContact O-N 2.8Å; T378-L382 HydrophobicContact CG2-CD1 3.98Å; T378-L382 HydrophobicContact CG2-CG 4.21Å; T378-L382 VanDerWaalsContact O-CG 3.27Å; T378-L382 WeakPolarHBondContact O-CG 3.27Å; T378-L382 PolarHBondContact O-N 3.24Å; T378-F413 HydrophobicContact CG2-CZ 4.1Å; T378-E417 HydrophobicContact CG2-CG 4.18Å; T378-R438 PolarHBondContact OG1-NH2 3.35Å |
| 379 | E | 89.4 | Confident | 82.5 | Confident | 26 Ų | 26 | 50.4 Ų | 50.4 | 12% | 0.121 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.3 | -44.1 | 174.2 | -77.3 | -168.8 | -163.8 | 0 | 0 | 113.2 | R221 W375 W376 Y381 L382 W383 R438 L441 | R221-E379 IonicContact CZ-OE2 3.54Å; R221-E379 IonicContact NH1-OE2 3.09Å; R221-E379 IonicContact NH2-OE2 3.69Å; R221-E379 PolarHBondContact NH2-OE2 3.19Å; W375-E379 PolarHBondContact O-N 3.02Å; W376-E379 WeakPolarHBondContact CZ3-OE2 3.41Å; W376-E379 PolarHBondContact O-N 2.89Å; E379-Y381 VanDerWaalsContact C-N 3.32Å; E379-Y381 PolarHBondContact O-N 3.35Å; E379-L382 PolarHBondContact O-N 2.93Å; E379-W383 VanDerWaalsContact O-CB 3.24Å; E379-W383 WeakPolarHBondContact O-CB 3.02Å; E379-W383 PolarHBondContact O-N 3.33Å; E379-R438 HydrophobicContact CG-CB 4.39Å; E379-R438 HydrophobicContact CG-CG 4.16Å; E379-L441 HydrophobicContact CB-CD1 4.16Å; E379-L441 HydrophobicContact CG-CD1 4.18Å |
| 380 | C | 90.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.4 | -38.7 | 177.2 | -73.2 | 0 | 0 | 0 | 0 | 111.9 | F214 L217 R221 W376 A377 T378 A384 | F214-C380 HydrophobicContact CE2-CB 4.39Å; L217-C380 HydrophobicContact CD2-CB 4.15Å; L217-C380 HydrophobicContact CG-CB 4.42Å; R221-C380 PolarHBondContact NH1-SG 3.47Å; W376-C380 PolarHBondContact O-N 2.94Å; W376-C380 PolarHBondContact O-SG 3.05Å; W376-C380 VanDerWaalsContact O-SG 3.35Å; A377-C380 PolarHBondContact O-N 3.39Å; T378-C380 PolarHBondContact O-N 3.17Å; C380-A384 VanDerWaalsContact O-CB 3.25Å; C380-A384 WeakPolarHBondContact O-CB 3.36Å; C380-A384 PolarHBondContact O-N 3.01Å |
| 381 | Y | 92.3 | Very high | 84 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65 | -47.7 | 175.5 | -176 | -86.7 | 0 | 0 | 0 | 112 | M360 C363 Y364 I367 A377 T378 E379 A384 G385 L405 F413 | M360-Y381 HydrophobicContact CE-CD2 3.44Å; M360-Y381 VanDerWaalsContact CE-CD2 3.44Å; M360-Y381 HydrophobicContact CE-CE2 3.61Å; M360-Y381 HydrophobicContact CE-CG 4.01Å; C363-Y381 HydrophobicContact CB-CD2 4.5Å; Y364-Y381 HydrophobicContact CD2-CE2 4.24Å; I367-Y381 HydrophobicContact CD1-CD2 4.31Å; I367-Y381 HydrophobicContact CD1-CG 4.1Å; A377-Y381 PolarHBondContact O-N 3.48Å; T378-Y381 PolarHBondContact O-N 2.8Å; E379-Y381 VanDerWaalsContact C-N 3.32Å; E379-Y381 PolarHBondContact O-N 3.35Å; Y381-A384 PolarHBondContact O-N 3.46Å; Y381-G385 PolarHBondContact O-N 2.68Å; Y381-L405 HydrophobicContact CE1-CD2 4.3Å; Y381-L405 HydrophobicContact CE2-CD2 4.38Å; Y381-F413 HydrophobicContact CD1-CD1 4.31Å; Y381-F413 AromaticContact CD1-CE1 3.71Å; Y381-F413 HydrophobicContact CD1-CE1 3.71Å; Y381-F413 AromaticContact CE1-CD1 3.82Å; Y381-F413 HydrophobicContact CE1-CD1 3.82Å; Y381-F413 AromaticContact CE1-CE1 3.68Å; Y381-F413 HydrophobicContact CE1-CE1 3.68Å |
| 382 | L | 93.5 | Very high | 85.7 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65 | -43 | 178.5 | -65.6 | 173.1 | 0 | 0 | 0 | 111.9 | T378 E379 A384 G385 S386 V414 R438 L441 A442 A445 | T378-L382 HydrophobicContact CG2-CD1 3.98Å; T378-L382 HydrophobicContact CG2-CG 4.21Å; T378-L382 VanDerWaalsContact O-CG 3.27Å; T378-L382 WeakPolarHBondContact O-CG 3.27Å; T378-L382 PolarHBondContact O-N 3.24Å; E379-L382 PolarHBondContact O-N 2.93Å; L382-A384 VanDerWaalsContact C-N 3.35Å; L382-A384 PolarHBondContact O-N 2.92Å; L382-G385 PolarHBondContact O-N 3.28Å; L382-S386 PolarHBondContact O-N 2.87Å; L382-V414 HydrophobicContact CD2-CB 4.47Å; L382-V414 HydrophobicContact CD2-CG1 4.18Å; L382-V414 HydrophobicContact CD2-CG2 3.9Å; L382-R438 HydrophobicContact CD1-CG 4.23Å; L382-L441 HydrophobicContact CB-CB 4.06Å; L382-A442 HydrophobicContact CD1-CB 3.82Å; L382-A442 HydrophobicContact CD2-CB 4.3Å; L382-A445 HydrophobicContact CD2-CB 4.26Å |
| 383 | W | 93.2 | Very high | 87.3 | Confident | 24 Ų | 24 | 34 Ų | 34 | 9% | 0.091 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.8 | -45.9 | 173.1 | 171.1 | 87 | 0 | 0 | 0 | 111.4 | I220 R221 L224 E379 G385 S386 F387 F388 L441 | I220-W383 HydrophobicContact CG2-CZ3 4.49Å; R221-W383 HydrophobicContact CB-CD2 4.2Å; R221-W383 HydrophobicContact CB-CE3 3.78Å; R221-W383 HydrophobicContact CB-CH2 4.24Å; R221-W383 HydrophobicContact CB-CZ3 3.81Å; R221-W383 HydrophobicContact CG-CD2 3.72Å; R221-W383 HydrophobicContact CG-CE3 3.82Å; R221-W383 HydrophobicContact CG-CG 4.19Å; R221-W383 HydrophobicContact CG-CZ2 4.42Å; R221-W383 HydrophobicContact CG-CZ3 4.26Å; L224-W383 HydrophobicContact CB-CH2 3.86Å; L224-W383 HydrophobicContact CB-CZ2 3.77Å; L224-W383 HydrophobicContact CD1-CH2 3.97Å; E379-W383 VanDerWaalsContact O-CB 3.24Å; E379-W383 WeakPolarHBondContact O-CB 3.02Å; E379-W383 PolarHBondContact O-N 3.33Å; W383-G385 VanDerWaalsContact C-N 3.34Å; W383-G385 PolarHBondContact O-N 3.11Å; W383-S386 PolarHBondContact O-N 3.45Å; W383-F387 HydrophobicContact CH2-CB 4.3Å; W383-F387 HydrophobicContact CH2-CD1 4.34Å; W383-F387 HydrophobicContact CH2-CG 4.2Å; W383-F387 HydrophobicContact CZ2-CB 3.98Å; W383-F387 HydrophobicContact CZ2-CD1 4.43Å; W383-F387 HydrophobicContact CZ2-CD2 4.03Å; W383-F387 AromaticContact CZ2-CG 3.88Å; W383-F387 HydrophobicContact CZ2-CG 3.88Å; W383-F387 WeakPolarHBondContact O-CB 3.49Å; W383-F387 PolarHBondContact O-N 2.93Å; W383-F388 HydrophobicContact CH2-CE2 4.28Å; W383-F388 HydrophobicContact CZ3-CE2 4.12Å; W383-L441 HydrophobicContact CB-CD2 4.27Å |
| 384 | A | 92.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.6 | -38.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L217 M360 C380 Y381 L382 F388 | L217-A384 HydrophobicContact CD1-CB 4.02Å; M360-A384 HydrophobicContact CE-CB 3.68Å; M360-A384 HydrophobicContact SD-CB 3.89Å; C380-A384 VanDerWaalsContact O-CB 3.25Å; C380-A384 WeakPolarHBondContact O-CB 3.36Å; C380-A384 PolarHBondContact O-N 3.01Å; Y381-A384 PolarHBondContact O-N 3.46Å; L382-A384 VanDerWaalsContact C-N 3.35Å; L382-A384 PolarHBondContact O-N 2.92Å; A384-F388 HydrophobicContact CB-CD2 4.1Å; A384-F388 HydrophobicContact CB-CE2 4.43Å; A384-F388 WeakPolarHBondContact O-CB 3.41Å; A384-F388 WeakPolarHBondContact O-CD2 3.36Å; A384-F388 PolarHBondContact O-N 3.5Å |
| 385 | G | 91.7 | Very high | 88.6 | Confident | 4 Ų | 4 | 29.4 Ų | 29.4 | 4% | 0.041 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -55.8 | -54.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y381 L382 W383 L389 | Y381-G385 PolarHBondContact O-N 2.68Å; L382-G385 PolarHBondContact O-N 3.28Å; W383-G385 VanDerWaalsContact C-N 3.34Å; W383-G385 PolarHBondContact O-N 3.11Å; G385-L389 VanDerWaalsContact O-CB 3.24Å; G385-L389 WeakPolarHBondContact O-CB 3.5Å; G385-L389 WeakPolarHBondContact O-CD1 3.43Å; G385-L389 WeakPolarHBondContact O-CG 3.4Å; G385-L389 PolarHBondContact O-N 2.94Å |
| 386 | S | 92 | Very high | 88.7 | Confident | 5 Ų | 5 | 24.4 Ų | 24.4 | 4% | 0.035 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.6 | -50.5 | 176.4 | 176.7 | 0 | 0 | 0 | 0 | 112.7 | L382 W383 R390 | L382-S386 PolarHBondContact O-N 2.87Å; W383-S386 PolarHBondContact O-N 3.45Å; S386-R390 VanDerWaalsContact O-CB 3.3Å; S386-R390 WeakPolarHBondContact O-CB 3.46Å; S386-R390 PolarHBondContact O-N 2.93Å |
| 387 | F | 91.5 | Very high | 88.4 | Confident | 18 Ų | 18 | 21.4 Ų | 21.4 | 8% | 0.079 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -69.5 | -53.1 | -174.1 | -176.1 | -86.9 | 0 | 0 | 0 | 112.8 | L224 T229 W383 R390 F391 | L224-F387 HydrophobicContact CB-CE2 4.33Å; L224-F387 HydrophobicContact CB-CZ 4.17Å; L224-F387 HydrophobicContact CD1-CD1 4.28Å; L224-F387 HydrophobicContact CD1-CE1 3.74Å; L224-F387 HydrophobicContact CD1-CZ 4.1Å; L224-F387 HydrophobicContact CD2-CE1 4.39Å; L224-F387 HydrophobicContact CD2-CZ 4.01Å; L224-F387 HydrophobicContact CG-CE1 4.44Å; L224-F387 HydrophobicContact CG-CZ 4.32Å; T229-F387 HydrophobicContact CG2-CD2 4.14Å; T229-F387 HydrophobicContact CG2-CE2 3.83Å; T229-F387 HydrophobicContact CG2-CZ 4.1Å; W383-F387 HydrophobicContact CH2-CB 4.3Å; W383-F387 HydrophobicContact CH2-CD1 4.34Å; W383-F387 HydrophobicContact CH2-CG 4.2Å; W383-F387 HydrophobicContact CZ2-CB 3.98Å; W383-F387 HydrophobicContact CZ2-CD1 4.43Å; W383-F387 HydrophobicContact CZ2-CD2 4.03Å; W383-F387 AromaticContact CZ2-CG 3.88Å; W383-F387 HydrophobicContact CZ2-CG 3.88Å; W383-F387 WeakPolarHBondContact O-CB 3.49Å; W383-F387 PolarHBondContact O-N 2.93Å; F387-R390 PolarHBondContact O-N 2.92Å; F387-F391 HydrophobicContact CE1-CB 4.38Å; F387-F391 HydrophobicContact CE1-CD2 4.11Å; F387-F391 HydrophobicContact CZ-CD2 4.34Å; F387-F391 WeakPolarHBondContact O-CB 3.48Å; F387-F391 PolarHBondContact O-N 3.46Å |
| 388 | F | 91.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -74.8 | -32.3 | -171.1 | -75.6 | -76.5 | 0 | 0 | 0 | 113 | I220 L224 C348 L351 L352 F356 W383 A384 F391 C392 | I220-F388 HydrophobicContact CG2-CE2 4.01Å; I220-F388 HydrophobicContact CG2-CZ 3.75Å; L224-F388 HydrophobicContact CD1-CZ 3.93Å; C348-F388 HydrophobicContact CB-CE1 4.35Å; L351-F388 HydrophobicContact CD2-CE1 3.99Å; L351-F388 HydrophobicContact CD2-CZ 3.73Å; L352-F388 HydrophobicContact CD1-CD1 4.25Å; L352-F388 HydrophobicContact CD2-CB 4.31Å; L352-F388 HydrophobicContact CD2-CD1 3.92Å; L352-F388 HydrophobicContact CD2-CG 4.44Å; L352-F388 HydrophobicContact CG-CD1 4.08Å; F356-F388 HydrophobicContact CD2-CD2 4.33Å; F356-F388 HydrophobicContact CD2-CG 4.31Å; F356-F388 HydrophobicContact CE1-CB 4.37Å; F356-F388 HydrophobicContact CE2-CB 3.92Å; F356-F388 HydrophobicContact CE2-CD1 4.15Å; F356-F388 AromaticContact CE2-CD2 3.38Å; F356-F388 HydrophobicContact CE2-CD2 3.38Å; F356-F388 AromaticContact CE2-CE2 3.88Å; F356-F388 HydrophobicContact CE2-CE2 3.88Å; F356-F388 AromaticContact CE2-CG 3.53Å; F356-F388 HydrophobicContact CE2-CG 3.53Å; F356-F388 HydrophobicContact CE2-CZ 4.46Å; F356-F388 HydrophobicContact CZ-CB 3.62Å; F356-F388 AromaticContact CZ-CD2 3.89Å; F356-F388 HydrophobicContact CZ-CD2 3.89Å; F356-F388 AromaticContact CZ-CG 3.81Å; F356-F388 HydrophobicContact CZ-CG 3.81Å; W383-F388 HydrophobicContact CH2-CE2 4.28Å; W383-F388 HydrophobicContact CZ3-CE2 4.12Å; A384-F388 HydrophobicContact CB-CD2 4.1Å; A384-F388 HydrophobicContact CB-CE2 4.43Å; A384-F388 WeakPolarHBondContact O-CB 3.41Å; A384-F388 WeakPolarHBondContact O-CD2 3.36Å; A384-F388 PolarHBondContact O-N 3.5Å; F388-F391 PolarHBondContact O-N 3.35Å; F388-C392 WeakPolarHBondContact O-CB 3.34Å; F388-C392 PolarHBondContact O-N 3.32Å; F388-C392 PolarHBondContact O-SG 3.12Å |
| 389 | L | 91.5 | Very high | 86 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 172 | -67.6 | 178.9 | 0 | 0 | 0 | 111.4 | G385 C392 R393 L402 L405 T406 E448 Q449 A452 | G385-L389 VanDerWaalsContact O-CB 3.24Å; G385-L389 WeakPolarHBondContact O-CB 3.5Å; G385-L389 WeakPolarHBondContact O-CD1 3.43Å; G385-L389 WeakPolarHBondContact O-CG 3.4Å; G385-L389 PolarHBondContact O-N 2.94Å; L389-C392 PolarHBondContact O-N 3.22Å; L389-R393 WeakPolarHBondContact O-CG 3.48Å; L389-R393 PolarHBondContact O-N 2.8Å; L389-R393 VanDerWaalsContact O-N 3.08Å; L389-L402 HydrophobicContact CD2-CB 4.34Å; L389-L402 HydrophobicContact CD2-CD1 4.17Å; L389-L402 HydrophobicContact CD2-CD2 4.35Å; L389-L405 HydrophobicContact CD1-CB 4.28Å; L389-L405 HydrophobicContact CD2-CB 4.08Å; L389-L405 HydrophobicContact CD2-CD1 4.12Å; L389-L405 HydrophobicContact CG-CB 4.42Å; L389-L405 HydrophobicContact CG-CD1 4.04Å; L389-T406 HydrophobicContact CD2-CG2 4.01Å; L389-E448 HydrophobicContact CB-CB 4.09Å; L389-Q449 HydrophobicContact CD1-CB 4.35Å; L389-Q449 HydrophobicContact CD1-CG 3.7Å; L389-A452 HydrophobicContact CB-CB 4.05Å; L389-A452 HydrophobicContact CD1-CB 4.37Å; L389-A452 HydrophobicContact CD2-CB 3.86Å; L389-A452 HydrophobicContact CG-CB 4.32Å |
| 390 | R | 89.3 | Confident | 84.9 | Confident | 81 Ų | 81 | 34.2 Ų | 34.2 | 31% | 0.306 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.8 | -42.9 | 174.1 | -172.1 | 178 | -67.3 | 146.9 | 3.3 | 112.1 | T229 S386 F387 R393 Y394 E448 | T229-R390 HydrophobicContact CG2-CB 4.42Å; T229-R390 HydrophobicContact CG2-CG 4.24Å; T229-R390 WeakPolarHBondContact OG1-CD 3.48Å; S386-R390 VanDerWaalsContact O-CB 3.3Å; S386-R390 WeakPolarHBondContact O-CB 3.46Å; S386-R390 PolarHBondContact O-N 2.93Å; F387-R390 PolarHBondContact O-N 2.92Å; R390-R393 PolarHBondContact O-N 3Å; R390-Y394 WeakPolarHBondContact O-CB 3.42Å; R390-Y394 PolarHBondContact O-N 2.76Å; R390-E448 HydrophobicContact CB-CG 4.3Å; R390-E448 IonicContact CZ-OE1 2.6Å; R390-E448 IonicContact NE-OE1 3.86Å; R390-E448 PolarHBondContact NE-OE1 3.14Å; R390-E448 IonicContact NE-OE2 2.88Å; R390-E448 IonicContact NH2-OE1 2.91Å; R390-E448 PolarHBondContact NH2-OE1 3.14Å |
| 391 | F | 88.7 | Confident | 83.9 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 2% | 0.022 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.9 | -46.3 | 175.8 | -174.6 | -81 | 0 | 0 | 0 | 111.6 | T229 C348 L352 F387 F388 Y394 Y395 L397 | T229-F391 HydrophobicContact CG2-CB 4.23Å; C348-F391 HydrophobicContact CB-CD1 4.45Å; C348-F391 HydrophobicContact CB-CD2 4.34Å; C348-F391 HydrophobicContact CB-CE1 3.79Å; C348-F391 HydrophobicContact CB-CE2 3.66Å; C348-F391 HydrophobicContact CB-CZ 3.35Å; L352-F391 HydrophobicContact CD1-CD1 3.61Å; L352-F391 HydrophobicContact CD1-CE1 3.85Å; F387-F391 HydrophobicContact CE1-CB 4.38Å; F387-F391 HydrophobicContact CE1-CD2 4.11Å; F387-F391 HydrophobicContact CZ-CD2 4.34Å; F387-F391 WeakPolarHBondContact O-CB 3.48Å; F387-F391 PolarHBondContact O-N 3.46Å; F388-F391 PolarHBondContact O-N 3.35Å; F391-Y394 PolarHBondContact O-N 3.31Å; F391-Y395 AromaticContact CD1-CD2 3.84Å; F391-Y395 HydrophobicContact CD1-CD2 3.84Å; F391-Y395 HydrophobicContact CD1-CE2 4.39Å; F391-Y395 HydrophobicContact CD2-CD2 4.11Å; F391-Y395 AromaticContact CD2-CE2 3.9Å; F391-Y395 HydrophobicContact CD2-CE2 3.9Å; F391-Y395 AromaticContact CE1-CD2 3.54Å; F391-Y395 HydrophobicContact CE1-CD2 3.54Å; F391-Y395 AromaticContact CE1-CE2 3.92Å; F391-Y395 HydrophobicContact CE1-CE2 3.92Å; F391-Y395 HydrophobicContact CE1-CG 4.44Å; F391-Y395 AromaticContact CE2-CD2 3.84Å; F391-Y395 HydrophobicContact CE2-CD2 3.84Å; F391-Y395 AromaticContact CE2-CE2 3.38Å; F391-Y395 HydrophobicContact CE2-CE2 3.38Å; F391-Y395 HydrophobicContact CG-CD2 4.11Å; F391-Y395 HydrophobicContact CG-CE2 4.37Å; F391-Y395 AromaticContact CZ-CD2 3.52Å; F391-Y395 HydrophobicContact CZ-CD2 3.52Å; F391-Y395 AromaticContact CZ-CE2 3.37Å; F391-Y395 HydrophobicContact CZ-CE2 3.37Å; F391-Y395 PolarHBondContact O-N 3Å; F391-L397 HydrophobicContact CD1-CD1 4.21Å; F391-L397 HydrophobicContact CE1-CD1 3.91Å |
| 392 | C | 87.6 | Confident | 83.4 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.6 | -41.9 | 179.8 | -67.2 | 0 | 0 | 0 | 0 | 112.5 | L352 F388 L389 S396 L397 L402 | L352-C392 WeakPolarHBondContact CD1-SG 3.45Å; F388-C392 WeakPolarHBondContact O-CB 3.34Å; F388-C392 PolarHBondContact O-N 3.32Å; F388-C392 PolarHBondContact O-SG 3.12Å; L389-C392 PolarHBondContact O-N 3.22Å; C392-S396 CarbonylContact O-C 3.57Å; C392-S396 WeakPolarHBondContact O-CA 3.12Å; C392-S396 PolarHBondContact O-N 2.9Å; C392-S396 VanDerWaalsContact O-N 3.08Å; C392-L397 HydrophobicContact CB-CB 4.35Å; C392-L397 PolarHBondContact O-N 3Å; C392-L402 HydrophobicContact CB-CD1 3.67Å |
| 393 | R | 87.2 | Confident | 82.9 | Confident | 71 Ų | 71 | 42.8 Ų | 42.8 | 27% | 0.268 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.1 | -47.4 | 171.7 | -76.6 | 166.9 | 45.4 | 69 | 11.6 | 111.7 | L389 R390 S396 E448 K451 A452 F455 | L389-R393 WeakPolarHBondContact O-CG 3.48Å; L389-R393 PolarHBondContact O-N 2.8Å; L389-R393 VanDerWaalsContact O-N 3.08Å; R390-R393 PolarHBondContact O-N 3Å; R393-S396 PolarHBondContact O-N 3.41Å; R393-E448 IonicContact NE-OE2 3.23Å; R393-K451 PolarHBondContact NH1-O 3.23Å; R393-A452 HydrophobicContact CG-CB 4.47Å; R393-F455 HydrophobicContact CG-CB 3.93Å; R393-F455 HydrophobicContact CG-CD1 4.15Å; R393-F455 HydrophobicContact CG-CG 4.03Å |
| 394 | Y | 81.6 | Confident | 82.6 | Confident | 67 Ų | 67 | 43.5 Ų | 43.5 | 26% | 0.263 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.7 | -43.6 | -174.6 | -173.5 | -102.5 | 0 | 0 | 0 | 112.8 | T229 C230 Q233 R390 F391 S396 | T229-Y394 WeakPolarHBondContact O-CD1 3.45Å; T229-Y394 VanDerWaalsContact O-CE1 3.31Å; T229-Y394 WeakPolarHBondContact O-CE1 3.35Å; C230-Y394 WeakPolarHBondContact CA-OH 3.31Å; C230-Y394 HydrophobicContact CB-CE2 3.91Å; C230-Y394 PolarHBondContact O-OH 3.06Å; Q233-Y394 HydrophobicContact CB-CE1 4.35Å; Q233-Y394 VanDerWaalsContact CB-OH 3.22Å; Q233-Y394 WeakPolarHBondContact CB-OH 3.4Å; Q233-Y394 HydrophobicContact CG-CE1 4.09Å; Q233-Y394 WeakPolarHBondContact CG-OH 3.23Å; Q233-Y394 PolarHBondContact NE2-OH 2.63Å; Q233-Y394 PolarHBondContact OE1-OH 2.73Å; R390-Y394 WeakPolarHBondContact O-CB 3.42Å; R390-Y394 PolarHBondContact O-N 2.76Å; F391-Y394 PolarHBondContact O-N 3.31Å; Y394-S396 VanDerWaalsContact C-N 3.27Å; Y394-S396 PolarHBondContact O-N 3.05Å |
| 395 | Y | 79.3 | Confident | 82.5 | Confident | 44 Ų | 44 | 43.6 Ų | 43.6 | 17% | 0.173 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 7.9 | 175 | -74.1 | -72.2 | 0 | 0 | 0 | 114.5 | C232 K345 F391 L397 | C232-Y395 VanDerWaalsContact C-OH 3.24Å; C232-Y395 WeakPolarHBondContact CB-OH 3.35Å; C232-Y395 PolarHBondContact O-OH 2.98Å; K345-Y395 HydrophobicContact CD-CE1 3.94Å; K345-Y395 WeakPolarHBondContact CD-OH 3.33Å; K345-Y395 HydrophobicContact CG-CE1 4.3Å; K345-Y395 HydrophobicContact CG-CE2 4.49Å; K345-Y395 WeakPolarHBondContact CG-OH 3.38Å; F391-Y395 AromaticContact CD1-CD2 3.84Å; F391-Y395 HydrophobicContact CD1-CD2 3.84Å; F391-Y395 HydrophobicContact CD1-CE2 4.39Å; F391-Y395 HydrophobicContact CD2-CD2 4.11Å; F391-Y395 AromaticContact CD2-CE2 3.9Å; F391-Y395 HydrophobicContact CD2-CE2 3.9Å; F391-Y395 AromaticContact CE1-CD2 3.54Å; F391-Y395 HydrophobicContact CE1-CD2 3.54Å; F391-Y395 AromaticContact CE1-CE2 3.92Å; F391-Y395 HydrophobicContact CE1-CE2 3.92Å; F391-Y395 HydrophobicContact CE1-CG 4.44Å; F391-Y395 AromaticContact CE2-CD2 3.84Å; F391-Y395 HydrophobicContact CE2-CD2 3.84Å; F391-Y395 AromaticContact CE2-CE2 3.38Å; F391-Y395 HydrophobicContact CE2-CE2 3.38Å; F391-Y395 HydrophobicContact CG-CD2 4.11Å; F391-Y395 HydrophobicContact CG-CE2 4.37Å; F391-Y395 AromaticContact CZ-CD2 3.52Å; F391-Y395 HydrophobicContact CZ-CD2 3.52Å; F391-Y395 AromaticContact CZ-CE2 3.37Å; F391-Y395 HydrophobicContact CZ-CE2 3.37Å; F391-Y395 PolarHBondContact O-N 3Å; Y395-L397 PolarHBondContact O-N 3.32Å; Y395-L397 VanDerWaalsContact O-N 3.16Å |
| 396 | S | 80.2 | Confident | 82.4 | Confident | 64 Ų | 64 | 43.8 Ų | 43.8 | 45% | 0.448 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 34.9 | -175.6 | -65.4 | 0 | 0 | 0 | 0 | 115 | C392 R393 Y394 R398 | C392-S396 CarbonylContact O-C 3.57Å; C392-S396 WeakPolarHBondContact O-CA 3.12Å; C392-S396 PolarHBondContact O-N 2.9Å; C392-S396 VanDerWaalsContact O-N 3.08Å; R393-S396 PolarHBondContact O-N 3.41Å; Y394-S396 VanDerWaalsContact C-N 3.27Å; Y394-S396 PolarHBondContact O-N 3.05Å; S396-R398 PolarHBondContact O-N 3.2Å |
| 397 | L | 77.6 | Confident | 82.3 | Confident | 33 Ų | 33 | 45.7 Ų | 45.7 | 17% | 0.173 | 22% | 0.224 | C | C | . | . | trans | -77.6 | 69 | -177.9 | -61.9 | 176.3 | 0 | 0 | 0 | 111.6 | L352 F391 C392 Y395 L399 | L352-L397 HydrophobicContact CD1-CD1 4.05Å; F391-L397 HydrophobicContact CD1-CD1 4.21Å; F391-L397 HydrophobicContact CE1-CD1 3.91Å; C392-L397 HydrophobicContact CB-CB 4.35Å; C392-L397 PolarHBondContact O-N 3Å; Y395-L397 PolarHBondContact O-N 3.32Å; Y395-L397 VanDerWaalsContact O-N 3.16Å; L397-L399 VanDerWaalsContact C-N 3.32Å; L397-L399 PolarHBondContact O-N 3.09Å | ||
| 398 | R | 66.6 | Low | 82.4 | Confident | 115 Ų | 115 | 47.6 Ų | 47.6 | 43% | 0.434 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -28.3 | -177 | -66.7 | 177 | -177.3 | 132.2 | 1.8 | 114.4 | S396 C400 F455 | S396-R398 PolarHBondContact O-N 3.2Å; R398-C400 VanDerWaalsContact C-N 3.33Å; R398-C400 PolarHBondContact O-N 3Å; R398-F455 HydrophobicContact CG-CD1 4.44Å; R398-F455 HydrophobicContact CG-CE1 3.44Å; R398-F455 VanDerWaalsContact CG-CE1 3.44Å; R398-F455 HydrophobicContact CG-CZ 3.58Å |
| 399 | L | 58.9 | Low | 82.4 | Confident | 163 Ų | 163 | 50.9 Ų | 50.9 | 85% | 0.853 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 4.3 | -174.8 | -66.6 | 169 | 0 | 0 | 0 | 114.2 | L397 | L397-L399 VanDerWaalsContact C-N 3.32Å; L397-L399 PolarHBondContact O-N 3.09Å |
| 400 | C | 66.3 | Low | 82.5 | Confident | 18 Ų | 18 | 51 Ų | 51 | 12% | 0.122 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -77.6 | 133.7 | 174.7 | -67.4 | 0 | 0 | 0 | 0 | 109.8 | R398 L402 | R398-C400 VanDerWaalsContact C-N 3.33Å; R398-C400 PolarHBondContact O-N 3Å; C400-L402 VanDerWaalsContact C-N 3.26Å; C400-L402 HydrophobicContact CB-CD1 4.46Å; C400-L402 HydrophobicContact CB-CD2 4.43Å; C400-L402 HydrophobicContact CB-CG 4.09Å; C400-L402 PolarHBondContact O-N 3.22Å |
| 401 | N | 69 | Low | 82.7 | Confident | 94 Ų | 94 | 47.2 Ų | 47.2 | 50% | 0.503 | 25% | 0.247 | S | C | . | . | trans | -75 | 79.2 | 179.9 | -176 | -4.2 | 0 | 0 | 0 | 110.9 | C357 N403 | C357-N401 PolarHBondContact SG-O 3.01Å; N401-N403 VanDerWaalsContact C-N 3.33Å | ||
| 402 | L | 80.8 | Confident | 82.9 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | trans | -88.2 | 1.5 | -178.1 | -63.5 | 172 | 0 | 0 | 0 | 113.2 | L352 F356 L389 C392 C400 I404 L405 T406 | L352-L402 HydrophobicContact CD2-CD2 4.14Å; F356-L402 HydrophobicContact CD1-CD2 4.36Å; F356-L402 HydrophobicContact CE1-CD2 4.11Å; L389-L402 HydrophobicContact CD2-CB 4.34Å; L389-L402 HydrophobicContact CD2-CD1 4.17Å; L389-L402 HydrophobicContact CD2-CD2 4.35Å; C392-L402 HydrophobicContact CB-CD1 3.67Å; C400-L402 VanDerWaalsContact C-N 3.26Å; C400-L402 HydrophobicContact CB-CD1 4.46Å; C400-L402 HydrophobicContact CB-CD2 4.43Å; C400-L402 HydrophobicContact CB-CG 4.09Å; C400-L402 PolarHBondContact O-N 3.22Å; L402-I404 PolarHBondContact O-N 3.35Å; L402-L405 PolarHBondContact O-N 3.28Å; L402-T406 HydrophobicContact CB-CG2 4.44Å; L402-T406 PolarHBondContact O-N 3.16Å; L402-T406 VanDerWaalsContact O-N 3.07Å; L402-T406 PolarHBondContact O-OG1 3.05Å | ||
| 403 | N | 83 | Confident | 83.2 | Confident | 84 Ų | 84 | 50.7 Ų | 50.7 | 45% | 0.449 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -53.7 | -28.4 | -175.6 | -65.6 | 3.7 | 0 | 0 | 0 | 113.2 | N401 L405 T406 S407 | N401-N403 VanDerWaalsContact C-N 3.33Å; N403-L405 VanDerWaalsContact C-N 3.26Å; N403-L405 PolarHBondContact O-N 3.24Å; N403-T406 WeakPolarHBondContact CA-OG1 3.48Å; N403-T406 PolarHBondContact O-N 3.48Å; N403-S407 WeakPolarHBondContact O-CB 3.22Å; N403-S407 PolarHBondContact O-N 2.69Å; N403-S407 PolarHBondContact O-OG 3.08Å |
| 404 | I | 86.6 | Confident | 83.6 | Confident | 38 Ų | 38 | 47.4 Ų | 47.4 | 20% | 0.195 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.1 | -24.7 | 175.1 | -165.5 | 160.8 | 0 | 0 | 0 | 114.3 | C357 M360 N361 L402 A410 | C357-I404 WeakPolarHBondContact O-CD1 3.39Å; M360-I404 HydrophobicContact CB-CD1 4.32Å; M360-I404 HydrophobicContact CB-CG2 4.23Å; N361-I404 HydrophobicContact CB-CD1 3.4Å; N361-I404 VanDerWaalsContact N-CD1 3.34Å; L402-I404 PolarHBondContact O-N 3.35Å; I404-A410 WeakPolarHBondContact O-CB 3.47Å |
| 405 | L | 91.3 | Very high | 84.2 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -101.5 | -23.6 | 174.4 | -67 | -179.1 | 0 | 0 | 0 | 112.9 | F356 M360 Y381 L389 L402 N403 Q449 | F356-L405 HydrophobicContact CE1-CD1 3.68Å; F356-L405 HydrophobicContact CE1-CG 4.4Å; F356-L405 HydrophobicContact CZ-CD1 3.72Å; M360-L405 HydrophobicContact CE-CD2 3.85Å; Y381-L405 HydrophobicContact CE1-CD2 4.3Å; Y381-L405 HydrophobicContact CE2-CD2 4.38Å; L389-L405 HydrophobicContact CD1-CB 4.28Å; L389-L405 HydrophobicContact CD2-CB 4.08Å; L389-L405 HydrophobicContact CD2-CD1 4.12Å; L389-L405 HydrophobicContact CG-CB 4.42Å; L389-L405 HydrophobicContact CG-CD1 4.04Å; L402-L405 PolarHBondContact O-N 3.28Å; N403-L405 VanDerWaalsContact C-N 3.26Å; N403-L405 PolarHBondContact O-N 3.24Å; L405-Q449 WeakPolarHBondContact O-CG 3.45Å; L405-Q449 PolarHBondContact O-NE2 2.93Å |
| 406 | T | 89.5 | Confident | 84.9 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 5% | 0.049 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -101.9 | -4 | -176.2 | 56.8 | 0 | 0 | 0 | 0 | 114.4 | L389 L402 N403 A452 L453 I456 T471 | L389-T406 HydrophobicContact CD2-CG2 4.01Å; L402-T406 HydrophobicContact CB-CG2 4.44Å; L402-T406 PolarHBondContact O-N 3.16Å; L402-T406 VanDerWaalsContact O-N 3.07Å; L402-T406 PolarHBondContact O-OG1 3.05Å; N403-T406 WeakPolarHBondContact CA-OG1 3.48Å; N403-T406 PolarHBondContact O-N 3.48Å; T406-A452 HydrophobicContact CG2-CB 4.35Å; T406-L453 HydrophobicContact CG2-CD2 4.45Å; T406-L453 HydrophobicContact CG2-CG 4.4Å; T406-I456 HydrophobicContact CG2-CD1 4.2Å; T406-T471 WeakPolarHBondContact O-CG2 2.88Å |
| 407 | S | 91.1 | Very high | 85.5 | Confident | 45 Ų | 45 | 44.6 Ų | 44.6 | 32% | 0.315 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -67.2 | 155.8 | 174.6 | 63.6 | 0 | 0 | 0 | 0 | 113.2 | N403 S409 A410 V411 | N403-S407 WeakPolarHBondContact O-CB 3.22Å; N403-S407 PolarHBondContact O-N 2.69Å; N403-S407 PolarHBondContact O-OG 3.08Å; S407-S409 PolarHBondContact O-N 2.89Å; S407-A410 WeakPolarHBondContact O-CB 3.25Å; S407-A410 PolarHBondContact O-N 3.05Å; S407-A410 PolarHBondContact OG-N 3.41Å; S407-V411 WeakPolarHBondContact O-CG2 3.12Å; S407-V411 PolarHBondContact O-N 3.41Å |
| 408 | V | 92.9 | Very high | 86.3 | Confident | 59 Ų | 59 | 43 Ų | 43 | 36% | 0.358 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -51.1 | -42.4 | 174.6 | 179.4 | 0 | 0 | 0 | 0 | 112 | A410 V411 H412 T471 V474 | V408-A410 PolarHBondContact O-N 3.48Å; V408-V411 PolarHBondContact O-N 3.2Å; V408-H412 WeakPolarHBondContact O-CB 3.23Å; V408-H412 PolarHBondContact O-N 3.41Å; V408-T471 HydrophobicContact CG2-CG2 3.96Å; V408-V474 HydrophobicContact CG1-CG1 4.07Å; V408-V474 HydrophobicContact CG2-CB 4.41Å; V408-V474 HydrophobicContact CG2-CG1 4.4Å; V408-V474 HydrophobicContact CG2-CG2 4.35Å |
| 409 | S | 92 | Very high | 87.6 | Confident | 68 Ų | 68 | 41.6 Ų | 41.6 | 48% | 0.476 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.3 | -38.8 | 177.3 | 177 | 0 | 0 | 0 | 0 | 112.9 | S407 F413 | S407-S409 PolarHBondContact O-N 2.89Å; S409-F413 WeakPolarHBondContact O-CB 3.42Å; S409-F413 PolarHBondContact O-N 3.48Å |
| 410 | A | 92.5 | Very high | 89.2 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -72.2 | -34.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I404 S407 V408 V414 Q449 | I404-A410 WeakPolarHBondContact O-CB 3.47Å; S407-A410 WeakPolarHBondContact O-CB 3.25Å; S407-A410 PolarHBondContact O-N 3.05Å; S407-A410 PolarHBondContact OG-N 3.41Å; V408-A410 PolarHBondContact O-N 3.48Å; A410-V414 VanDerWaalsContact O-CG2 3.29Å; A410-V414 WeakPolarHBondContact O-CG2 3.48Å; A410-V414 PolarHBondContact O-N 2.87Å; A410-Q449 PolarHBondContact O-NE2 3.45Å; A410-Q449 VanDerWaalsContact O-NE2 3.11Å |
| 411 | V | 93.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.3 | -45.7 | 173 | 175 | 0 | 0 | 0 | 0 | 110.5 | S407 V408 F413 V414 Q415 Y446 Q449 L453 T471 I475 | S407-V411 WeakPolarHBondContact O-CG2 3.12Å; S407-V411 PolarHBondContact O-N 3.41Å; V408-V411 PolarHBondContact O-N 3.2Å; V411-F413 PolarHBondContact O-N 3.18Å; V411-V414 PolarHBondContact O-N 2.99Å; V411-Q415 PolarHBondContact O-N 3.42Å; V411-Y446 HydrophobicContact CG1-CD2 4.38Å; V411-Y446 HydrophobicContact CG1-CE2 3.87Å; V411-Q449 HydrophobicContact CG2-CB 4.44Å; V411-L453 HydrophobicContact CG2-CD1 4.42Å; V411-T471 HydrophobicContact CG2-CG2 4.45Å; V411-I475 HydrophobicContact CG1-CD1 4Å; V411-I475 HydrophobicContact CG1-CG1 4.03Å; V411-I475 HydrophobicContact CG2-CD1 4.31Å |
| 412 | H | 94.4 | Very high | 91.6 | Very high | 71 Ų | 71 | 30.6 Ų | 30.6 | 33% | 0.329 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -58 | -49.3 | 176.3 | -174.5 | 47.4 | 0 | 0 | 0 | 112.1 | V408 V414 Q415 Q416 Y481 | V408-H412 WeakPolarHBondContact O-CB 3.23Å; V408-H412 PolarHBondContact O-N 3.41Å; H412-V414 VanDerWaalsContact C-N 3.35Å; H412-V414 PolarHBondContact O-N 2.86Å; H412-Q415 PolarHBondContact ND1-OE1 2.85Å; H412-Q415 PolarHBondContact O-N 2.86Å; H412-Q415 VanDerWaalsContact O-N 3.16Å; H412-Q416 PolarHBondContact CE1-NE2 2.82Å; H412-Q416 VanDerWaalsContact CE1-NE2 3.34Å; H412-Q416 PolarHBondContact NE2-NE2 2.81Å; H412-Q416 VanDerWaalsContact NE2-NE2 3.15Å; H412-Q416 PolarHBondContact O-N 3.16Å; H412-Y481 VanDerWaalsContact CB-OH 3.23Å; H412-Y481 WeakPolarHBondContact CB-OH 3.42Å; H412-Y481 AromaticContact ND1-CZ 4Å; H412-Y481 PolarHBondContact ND1-OH 3.44Å; H412-Y481 VanDerWaalsContact ND1-OH 3.1Å |
| 413 | F | 93.4 | Very high | 92.1 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 4% | 0.039 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.1 | -46 | 177.5 | 171.6 | -115.3 | 0 | 0 | 0 | 112.2 | Y364 I367 M368 T378 Y381 S409 V411 Q415 Q416 E417 | Y364-F413 HydrophobicContact CD2-CD1 4.25Å; Y364-F413 HydrophobicContact CD2-CE1 4.43Å; Y364-F413 HydrophobicContact CE2-CB 4.24Å; Y364-F413 AromaticContact CE2-CD1 3.96Å; Y364-F413 HydrophobicContact CE2-CD1 3.96Å; Y364-F413 HydrophobicContact CE2-CD2 4.45Å; Y364-F413 HydrophobicContact CE2-CE1 4.47Å; Y364-F413 AromaticContact CE2-CG 3.94Å; Y364-F413 HydrophobicContact CE2-CG 3.94Å; I367-F413 HydrophobicContact CG2-CE2 4.38Å; I367-F413 HydrophobicContact CG2-CZ 4.01Å; M368-F413 HydrophobicContact CE-CD2 3.26Å; M368-F413 HydrophobicContact CE-CE2 3.25Å; M368-F413 HydrophobicContact CE-CG 4.07Å; M368-F413 HydrophobicContact CE-CZ 4.04Å; T378-F413 HydrophobicContact CG2-CZ 4.1Å; Y381-F413 HydrophobicContact CD1-CD1 4.31Å; Y381-F413 AromaticContact CD1-CE1 3.71Å; Y381-F413 HydrophobicContact CD1-CE1 3.71Å; Y381-F413 AromaticContact CE1-CD1 3.82Å; Y381-F413 HydrophobicContact CE1-CD1 3.82Å; Y381-F413 AromaticContact CE1-CE1 3.68Å; Y381-F413 HydrophobicContact CE1-CE1 3.68Å; S409-F413 WeakPolarHBondContact O-CB 3.42Å; S409-F413 PolarHBondContact O-N 3.48Å; V411-F413 PolarHBondContact O-N 3.18Å; F413-Q415 VanDerWaalsContact C-N 3.34Å; F413-Q415 PolarHBondContact O-N 3.29Å; F413-Q416 PolarHBondContact O-N 2.83Å; F413-E417 HydrophobicContact CD2-CG 3.92Å; F413-E417 HydrophobicContact CE1-CG 4.37Å; F413-E417 HydrophobicContact CE2-CG 3.42Å; F413-E417 VanDerWaalsContact CE2-CG 3.42Å; F413-E417 HydrophobicContact CZ-CG 3.69Å; F413-E417 VanDerWaalsContact O-CB 3.29Å; F413-E417 WeakPolarHBondContact O-CB 3.37Å; F413-E417 VanDerWaalsContact O-CG 3.31Å; F413-E417 WeakPolarHBondContact O-CG 3.3Å; F413-E417 PolarHBondContact O-N 3.33Å |
| 414 | V | 94.8 | Very high | 92.4 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.3 | -35.9 | 178.7 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | L382 A410 V411 H412 L418 A442 A445 | L382-V414 HydrophobicContact CD2-CB 4.47Å; L382-V414 HydrophobicContact CD2-CG1 4.18Å; L382-V414 HydrophobicContact CD2-CG2 3.9Å; A410-V414 VanDerWaalsContact O-CG2 3.29Å; A410-V414 WeakPolarHBondContact O-CG2 3.48Å; A410-V414 PolarHBondContact O-N 2.87Å; V411-V414 PolarHBondContact O-N 2.99Å; H412-V414 VanDerWaalsContact C-N 3.35Å; H412-V414 PolarHBondContact O-N 2.86Å; V414-L418 VanDerWaalsContact O-CB 3.3Å; V414-L418 WeakPolarHBondContact O-CB 3.45Å; V414-L418 PolarHBondContact O-N 2.97Å; V414-A442 WeakPolarHBondContact CG1-O 3.33Å; V414-A445 HydrophobicContact CG1-CB 3.92Å |
| 415 | Q | 94.9 | Very high | 92.5 | Very high | 11 Ų | 11 | 31.8 Ų | 31.8 | 5% | 0.051 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.7 | -48.2 | 175 | 170.4 | -89.8 | -37.1 | 0 | 0 | 112.4 | V411 H412 F413 E417 L418 Q419 Y446 Y481 L484 | V411-Q415 PolarHBondContact O-N 3.42Å; H412-Q415 PolarHBondContact ND1-OE1 2.85Å; H412-Q415 PolarHBondContact O-N 2.86Å; H412-Q415 VanDerWaalsContact O-N 3.16Å; F413-Q415 VanDerWaalsContact C-N 3.34Å; F413-Q415 PolarHBondContact O-N 3.29Å; Q415-E417 VanDerWaalsContact C-N 3.31Å; Q415-E417 PolarHBondContact O-N 3.49Å; Q415-L418 PolarHBondContact O-N 3.08Å; Q415-Q419 PolarHBondContact O-N 3.45Å; Q415-Y446 HydrophobicContact CB-CE2 4.28Å; Q415-Y481 HydrophobicContact CB-CD1 4.23Å; Q415-Y481 HydrophobicContact CB-CE1 4.16Å; Q415-Y481 HydrophobicContact CG-CD1 3.97Å; Q415-Y481 HydrophobicContact CG-CE1 4.13Å; Q415-L484 HydrophobicContact CB-CD2 4.15Å; Q415-L484 HydrophobicContact CG-CD1 4.17Å; Q415-L484 HydrophobicContact CG-CD2 3.64Å; Q415-L484 HydrophobicContact CG-CG 4.47Å |
| 416 | Q | 93.4 | Very high | 92.3 | Very high | 94 Ų | 94 | 36.5 Ų | 36.5 | 44% | 0.439 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.5 | -42.7 | 176.2 | -75.3 | -174.2 | -33.2 | 0 | 0 | 111.4 | H412 F413 Q419 T420 | H412-Q416 PolarHBondContact CE1-NE2 2.82Å; H412-Q416 VanDerWaalsContact CE1-NE2 3.34Å; H412-Q416 PolarHBondContact NE2-NE2 2.81Å; H412-Q416 VanDerWaalsContact NE2-NE2 3.15Å; H412-Q416 PolarHBondContact O-N 3.16Å; F413-Q416 PolarHBondContact O-N 2.83Å; Q416-Q419 PolarHBondContact O-N 3.18Å; Q416-T420 VanDerWaalsContact O-CB 3.29Å; Q416-T420 WeakPolarHBondContact O-CB 3.33Å; Q416-T420 PolarHBondContact O-N 3.04Å; Q416-T420 PolarHBondContact O-OG1 2.97Å |
| 417 | E | 92.8 | Very high | 92.3 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 175.7 | -79.3 | -69.9 | 161 | 0 | 0 | 112.5 | T378 F413 Q415 C421 R438 | T378-E417 HydrophobicContact CG2-CG 4.18Å; F413-E417 HydrophobicContact CD2-CG 3.92Å; F413-E417 HydrophobicContact CE1-CG 4.37Å; F413-E417 HydrophobicContact CE2-CG 3.42Å; F413-E417 VanDerWaalsContact CE2-CG 3.42Å; F413-E417 HydrophobicContact CZ-CG 3.69Å; F413-E417 VanDerWaalsContact O-CB 3.29Å; F413-E417 WeakPolarHBondContact O-CB 3.37Å; F413-E417 VanDerWaalsContact O-CG 3.31Å; F413-E417 WeakPolarHBondContact O-CG 3.3Å; F413-E417 PolarHBondContact O-N 3.33Å; Q415-E417 VanDerWaalsContact C-N 3.31Å; Q415-E417 PolarHBondContact O-N 3.49Å; E417-C421 VanDerWaalsContact O-CB 3.3Å; E417-C421 WeakPolarHBondContact O-CB 3.42Å; E417-C421 PolarHBondContact O-N 2.99Å; E417-C421 PolarHBondContact O-SG 3.24Å; E417-R438 IonicContact OE1-NH2 2.86Å; E417-R438 IonicContact OE2-CZ 3.34Å; E417-R438 IonicContact OE2-NE 2.68Å; E417-R438 PolarHBondContact OE2-NE 3.44Å; E417-R438 IonicContact OE2-NH2 3.89Å; E417-R438 PolarHBondContact OE2-NH2 3.39Å |
| 418 | L | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.1 | -49 | 175.1 | 175.1 | 52.4 | 0 | 0 | 0 | 111.5 | V414 Q415 C421 V422 A439 A442 L443 L484 L488 F501 | V414-L418 VanDerWaalsContact O-CB 3.3Å; V414-L418 WeakPolarHBondContact O-CB 3.45Å; V414-L418 PolarHBondContact O-N 2.97Å; Q415-L418 PolarHBondContact O-N 3.08Å; L418-C421 PolarHBondContact O-N 2.93Å; L418-V422 HydrophobicContact CD1-CG2 4.33Å; L418-V422 WeakPolarHBondContact O-CG2 3.48Å; L418-V422 PolarHBondContact O-N 3.06Å; L418-V422 VanDerWaalsContact O-N 3.12Å; L418-A439 HydrophobicContact CD1-CB 4.49Å; L418-A439 WeakPolarHBondContact CD1-O 3.25Å; L418-A442 HydrophobicContact CB-CB 3.75Å; L418-A442 HydrophobicContact CD1-CB 4.03Å; L418-A442 HydrophobicContact CG-CB 4.42Å; L418-L443 HydrophobicContact CD1-CB 3.97Å; L418-L443 HydrophobicContact CD2-CB 4.2Å; L418-L443 HydrophobicContact CD2-CD1 4.17Å; L418-L484 HydrophobicContact CD2-CD2 4.19Å; L418-L488 HydrophobicContact CD1-CD1 4.39Å; L418-L488 HydrophobicContact CD2-CD1 3.67Å; L418-L488 HydrophobicContact CG-CD1 4.04Å; L418-F501 HydrophobicContact CD1-CE2 4.13Å; L418-F501 HydrophobicContact CD1-CZ 4.44Å |
| 419 | Q | 93.7 | Very high | 91.6 | Very high | 84 Ų | 84 | 45.2 Ų | 45.2 | 39% | 0.393 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.8 | -51.6 | 178.2 | 177.6 | 171.3 | -13.8 | 0 | 0 | 111.2 | Q415 Q416 C421 V422 E423 | Q415-Q419 PolarHBondContact O-N 3.45Å; Q416-Q419 PolarHBondContact O-N 3.18Å; Q419-C421 VanDerWaalsContact C-N 3.26Å; Q419-C421 PolarHBondContact O-N 3.24Å; Q419-V422 PolarHBondContact O-N 3.26Å; Q419-E423 HydrophobicContact CG-CG 4.46Å; Q419-E423 WeakPolarHBondContact CG-OE1 3.47Å; Q419-E423 PolarHBondContact NE2-OE1 2.97Å; Q419-E423 WeakPolarHBondContact O-CG 3.38Å; Q419-E423 PolarHBondContact O-N 3.46Å |
| 420 | T | 92.3 | Very high | 91 | Very high | 28 Ų | 28 | 49.9 Ų | 49.9 | 17% | 0.172 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -52 | -45.8 | 175.3 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | Q416 V422 E423 M424 | Q416-T420 VanDerWaalsContact O-CB 3.29Å; Q416-T420 WeakPolarHBondContact O-CB 3.33Å; Q416-T420 PolarHBondContact O-N 3.04Å; Q416-T420 PolarHBondContact O-OG1 2.97Å; T420-V422 VanDerWaalsContact C-N 3.32Å; T420-V422 PolarHBondContact O-N 3.47Å; T420-E423 PolarHBondContact O-N 2.82Å; T420-M424 HydrophobicContact CG2-CG 4.23Å; T420-M424 WeakPolarHBondContact O-CB 3.38Å; T420-M424 WeakPolarHBondContact O-CG 3.28Å; T420-M424 PolarHBondContact O-N 3.48Å |
| 421 | C | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.6 | -32.8 | -178.3 | -70.1 | 0 | 0 | 0 | 0 | 113.1 | E417 L418 Q419 T425 W435 R438 A439 | E417-C421 VanDerWaalsContact O-CB 3.3Å; E417-C421 WeakPolarHBondContact O-CB 3.42Å; E417-C421 PolarHBondContact O-N 2.99Å; E417-C421 PolarHBondContact O-SG 3.24Å; L418-C421 PolarHBondContact O-N 2.93Å; Q419-C421 VanDerWaalsContact C-N 3.26Å; Q419-C421 PolarHBondContact O-N 3.24Å; C421-T425 WeakPolarHBondContact O-CG2 3.46Å; C421-T425 PolarHBondContact O-N 3.27Å; C421-W435 HydrophobicContact CB-CE3 4.47Å; C421-R438 WeakPolarHBondContact SG-CD 3.48Å; C421-R438 WeakPolarHBondContact SG-CG 3.35Å; C421-R438 PolarHBondContact SG-NE 3.41Å; C421-R438 VanDerWaalsContact SG-NE 3.35Å; C421-A439 HydrophobicContact CB-CB 3.83Å |
| 422 | V | 92.5 | Very high | 90 | Very high | 17 Ų | 17 | 53.4 Ų | 53.4 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.5 | -47.7 | 176.7 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | L418 Q419 T420 M424 T425 A439 L488 L497 F501 | L418-V422 HydrophobicContact CD1-CG2 4.33Å; L418-V422 WeakPolarHBondContact O-CG2 3.48Å; L418-V422 PolarHBondContact O-N 3.06Å; L418-V422 VanDerWaalsContact O-N 3.12Å; Q419-V422 PolarHBondContact O-N 3.26Å; T420-V422 VanDerWaalsContact C-N 3.32Å; T420-V422 PolarHBondContact O-N 3.47Å; V422-M424 VanDerWaalsContact C-N 3.29Å; V422-M424 PolarHBondContact O-N 2.84Å; V422-T425 WeakPolarHBondContact O-CB 3.39Å; V422-T425 PolarHBondContact O-N 2.83Å; V422-T425 PolarHBondContact O-OG1 3.23Å; V422-A439 HydrophobicContact CG2-CB 4.02Å; V422-L488 HydrophobicContact CB-CD2 4.39Å; V422-L488 HydrophobicContact CG1-CD2 4.34Å; V422-L488 HydrophobicContact CG2-CD2 3.81Å; V422-L497 HydrophobicContact CG1-CD1 4.44Å; V422-L497 HydrophobicContact CG2-CD2 4.47Å; V422-F501 HydrophobicContact CG2-CZ 4.3Å |
| 423 | E | 92.1 | Very high | 89.4 | Confident | 94 Ų | 94 | 53.8 Ų | 53.8 | 44% | 0.439 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.6 | -43 | 174.6 | -68.3 | 166.5 | -179.1 | 0 | 0 | 111.3 | Q419 T420 T425 E426 T427 | Q419-E423 HydrophobicContact CG-CG 4.46Å; Q419-E423 WeakPolarHBondContact CG-OE1 3.47Å; Q419-E423 PolarHBondContact NE2-OE1 2.97Å; Q419-E423 WeakPolarHBondContact O-CG 3.38Å; Q419-E423 PolarHBondContact O-N 3.46Å; T420-E423 PolarHBondContact O-N 2.82Å; E423-T425 PolarHBondContact O-N 3.12Å; E423-E426 PolarHBondContact O-N 3.49Å; E423-T427 PolarHBondContact O-N 3.23Å |
| 424 | M | 89.7 | Confident | 88.9 | Confident | 58 Ų | 58 | 58.1 Ų | 58.1 | 29% | 0.286 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.8 | -19.9 | 175.8 | -69.9 | -57.3 | -55.8 | 0 | 0 | 114.2 | T420 V422 E426 T427 D428 W435 | T420-M424 HydrophobicContact CG2-CG 4.23Å; T420-M424 WeakPolarHBondContact O-CB 3.38Å; T420-M424 WeakPolarHBondContact O-CG 3.28Å; T420-M424 PolarHBondContact O-N 3.48Å; V422-M424 VanDerWaalsContact C-N 3.29Å; V422-M424 PolarHBondContact O-N 2.84Å; M424-E426 PolarHBondContact O-N 3.04Å; M424-T427 WeakPolarHBondContact CA-OG1 3.43Å; M424-T427 PolarHBondContact SD-OG1 3.36Å; M424-D428 HydrophobicContact CE-CB 3.9Å; M424-D428 WeakPolarHBondContact O-CB 3.25Å; M424-D428 PolarHBondContact O-N 3.21Å; M424-W435 HydrophobicContact CB-CD2 3.52Å; M424-W435 HydrophobicContact CB-CE3 3.71Å; M424-W435 HydrophobicContact CB-CG 3.9Å; M424-W435 HydrophobicContact CB-CH2 4.3Å; M424-W435 HydrophobicContact CB-CZ2 4.14Å; M424-W435 HydrophobicContact CB-CZ3 4.1Å; M424-W435 HydrophobicContact CE-CH2 4.49Å; M424-W435 HydrophobicContact CE-CZ2 3.82Å; M424-W435 HydrophobicContact CG-CD2 4.35Å; M424-W435 HydrophobicContact CG-CE3 4.25Å; M424-W435 HydrophobicContact CG-CH2 4.09Å; M424-W435 HydrophobicContact CG-CZ2 4.18Å; M424-W435 HydrophobicContact CG-CZ3 4.12Å |
| 425 | T | 88.1 | Confident | 88.7 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.3 | -21.6 | 170.9 | 65.3 | 0 | 0 | 0 | 0 | 113.1 | C421 V422 E423 W435 H496 L497 | C421-T425 WeakPolarHBondContact O-CG2 3.46Å; C421-T425 PolarHBondContact O-N 3.27Å; V422-T425 WeakPolarHBondContact O-CB 3.39Å; V422-T425 PolarHBondContact O-N 2.83Å; V422-T425 PolarHBondContact O-OG1 3.23Å; E423-T425 PolarHBondContact O-N 3.12Å; T425-W435 HydrophobicContact CG2-CB 3.53Å; T425-H496 PolarHBondContact O-ND1 3.36Å; T425-L497 HydrophobicContact CG2-CD2 4.17Å |
| 426 | E | 86.8 | Confident | 88.4 | Confident | 101 Ų | 101 | 59.1 Ų | 59.1 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -90.9 | -38.3 | -179.8 | -56.5 | -167.7 | 156.1 | 0 | 0 | 111.8 | E423 M424 | E423-E426 PolarHBondContact O-N 3.49Å; M424-E426 PolarHBondContact O-N 3.04Å |
| 427 | T | 89.4 | Confident | 88.1 | Confident | 100 Ų | 100 | 57.3 Ų | 57.3 | 61% | 0.613 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -79.6 | -51.5 | 179.7 | 62 | 0 | 0 | 0 | 0 | 112.6 | E423 M424 K429 | E423-T427 PolarHBondContact O-N 3.23Å; M424-T427 WeakPolarHBondContact CA-OG1 3.43Å; M424-T427 PolarHBondContact SD-OG1 3.36Å; T427-K429 PolarHBondContact O-N 2.79Å |
| 428 | D | 86.5 | Confident | 87.9 | Confident | 36 Ų | 36 | 57 Ų | 57 | 19% | 0.193 | 28% | 0.279 | C | S | . | . | trans | -89 | 85.9 | -179.7 | -179.1 | -5.5 | 0 | 0 | 0 | 111.3 | M424 E430 N431 I432 W435 | M424-D428 HydrophobicContact CE-CB 3.9Å; M424-D428 WeakPolarHBondContact O-CB 3.25Å; M424-D428 PolarHBondContact O-N 3.21Å; D428-E430 PolarHBondContact O-N 3.32Å; D428-E430 PolarHBondContact OD1-N 2.83Å; D428-N431 PolarHBondContact OD1-N 3.29Å; D428-N431 PolarHBondContact OD1-ND2 3.13Å; D428-N431 VanDerWaalsContact OD2-CB 3.3Å; D428-N431 WeakPolarHBondContact OD2-CB 3.44Å; D428-N431 PolarHBondContact OD2-ND2 3.3Å; D428-I432 WeakPolarHBondContact O-CG1 3.49Å; D428-I432 PolarHBondContact O-N 3.22Å; D428-W435 PolarHBondContact OD2-NE1 3.43Å | ||
| 429 | K | 82.4 | Confident | 87.8 | Confident | 160 Ų | 160 | 57 Ų | 57 | 70% | 0.696 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -70.4 | -9.3 | 178.7 | -66.7 | 176.7 | -176.8 | 169.9 | 0 | 114.1 | T427 I432 | T427-K429 PolarHBondContact O-N 2.79Å; K429-I432 HydrophobicContact CB-CD1 4.4Å |
| 430 | E | 81.2 | Confident | 87.8 | Confident | 166 Ų | 166 | 53.2 Ų | 53.2 | 78% | 0.776 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -89.7 | -41.3 | 178.6 | -57.5 | -158.6 | 145.4 | 0 | 0 | 111.5 | D428 | D428-E430 PolarHBondContact O-N 3.32Å; D428-E430 PolarHBondContact OD1-N 2.83Å |
| 431 | N | 80 | Confident | 87.8 | Confident | 44 Ų | 44 | 52 Ų | 52 | 24% | 0.235 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -101.3 | 17.3 | -178.7 | -58.4 | -79.9 | 0 | 0 | 0 | 114.5 | D428 S433 R434 W435 | D428-N431 PolarHBondContact OD1-N 3.29Å; D428-N431 PolarHBondContact OD1-ND2 3.13Å; D428-N431 VanDerWaalsContact OD2-CB 3.3Å; D428-N431 WeakPolarHBondContact OD2-CB 3.44Å; D428-N431 PolarHBondContact OD2-ND2 3.3Å; N431-S433 PolarHBondContact O-N 2.96Å; N431-R434 HydrophobicContact CB-CB 4.32Å; N431-R434 WeakPolarHBondContact O-CA 3.42Å; N431-R434 WeakPolarHBondContact O-CB 3.49Å; N431-R434 PolarHBondContact O-N 3.44Å; N431-R434 PolarHBondContact OD1-NH1 3.49Å; N431-W435 PolarHBondContact O-N 3.45Å; N431-W435 VanDerWaalsContact O-N 3.14Å |
| 432 | I | 84.4 | Confident | 88 | Confident | 34 Ų | 34 | 52 Ų | 52 | 17% | 0.174 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -40 | -46.1 | 179.5 | -55.1 | 177.3 | 0 | 0 | 0 | 112.4 | V326 D428 K429 R434 W435 S436 H496 | V326-I432 HydrophobicContact CG2-CG2 3.88Å; D428-I432 WeakPolarHBondContact O-CG1 3.49Å; D428-I432 PolarHBondContact O-N 3.22Å; K429-I432 HydrophobicContact CB-CD1 4.4Å; I432-R434 VanDerWaalsContact C-N 3.33Å; I432-R434 PolarHBondContact O-N 3.02Å; I432-W435 PolarHBondContact O-N 3.48Å; I432-S436 WeakPolarHBondContact O-CB 3.43Å; I432-S436 PolarHBondContact O-N 2.95Å; I432-H496 HydrophobicContact CG2-CB 4.32Å |
| 433 | S | 82 | Confident | 88.2 | Confident | 78 Ų | 78 | 51.1 Ų | 51.1 | 55% | 0.545 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.9 | -32 | -178.8 | -163.4 | 0 | 0 | 0 | 0 | 114.3 | N431 R437 | N431-S433 PolarHBondContact O-N 2.96Å; S433-R437 PolarHBondContact O-N 3.49Å |
| 434 | R | 83.2 | Confident | 88.3 | Confident | 101 Ų | 101 | 48.1 Ų | 48.1 | 38% | 0.381 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -74.8 | -49.8 | 175.9 | -68.3 | 172.3 | 161.6 | 162.7 | -12.4 | 110.1 | E96 N431 I432 S436 R437 R438 | E96-R434 IonicContact OE1-CZ 2.69Å; E96-R434 IonicContact OE1-NH1 3.38Å; E96-R434 PolarHBondContact OE1-NH1 3.16Å; E96-R434 IonicContact OE1-NH2 3.28Å; E96-R434 PolarHBondContact OE1-NH2 3.06Å; N431-R434 HydrophobicContact CB-CB 4.32Å; N431-R434 WeakPolarHBondContact O-CA 3.42Å; N431-R434 WeakPolarHBondContact O-CB 3.49Å; N431-R434 PolarHBondContact O-N 3.44Å; N431-R434 PolarHBondContact OD1-NH1 3.49Å; I432-R434 VanDerWaalsContact C-N 3.33Å; I432-R434 PolarHBondContact O-N 3.02Å; R434-S436 VanDerWaalsContact C-N 3.31Å; R434-S436 PolarHBondContact O-N 3.33Å; R434-R437 PolarHBondContact O-N 2.81Å; R434-R437 VanDerWaalsContact O-N 3.12Å; R434-R438 PolarHBondContact O-N 3.19Å |
| 435 | W | 89 | Confident | 88.5 | Confident | 33 Ų | 33 | 45.4 Ų | 45.4 | 13% | 0.125 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.4 | -41.9 | 176.3 | -67.1 | 120.9 | 0 | 0 | 0 | 112.1 | C421 M424 T425 D428 N431 I432 R437 R438 A439 | C421-W435 HydrophobicContact CB-CE3 4.47Å; M424-W435 HydrophobicContact CB-CD2 3.52Å; M424-W435 HydrophobicContact CB-CE3 3.71Å; M424-W435 HydrophobicContact CB-CG 3.9Å; M424-W435 HydrophobicContact CB-CH2 4.3Å; M424-W435 HydrophobicContact CB-CZ2 4.14Å; M424-W435 HydrophobicContact CB-CZ3 4.1Å; M424-W435 HydrophobicContact CE-CH2 4.49Å; M424-W435 HydrophobicContact CE-CZ2 3.82Å; M424-W435 HydrophobicContact CG-CD2 4.35Å; M424-W435 HydrophobicContact CG-CE3 4.25Å; M424-W435 HydrophobicContact CG-CH2 4.09Å; M424-W435 HydrophobicContact CG-CZ2 4.18Å; M424-W435 HydrophobicContact CG-CZ3 4.12Å; T425-W435 HydrophobicContact CG2-CB 3.53Å; D428-W435 PolarHBondContact OD2-NE1 3.43Å; N431-W435 PolarHBondContact O-N 3.45Å; N431-W435 VanDerWaalsContact O-N 3.14Å; I432-W435 PolarHBondContact O-N 3.48Å; W435-R437 PolarHBondContact O-N 2.7Å; W435-R438 PolarHBondContact O-N 3.3Å; W435-A439 VanDerWaalsContact O-CB 3.29Å; W435-A439 WeakPolarHBondContact O-CB 3.47Å; W435-A439 PolarHBondContact O-N 3.15Å |
| 436 | S | 89.5 | Confident | 88.9 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -40.9 | 174.5 | -160.8 | 0 | 0 | 0 | 0 | 113 | I432 R434 Q440 H496 L497 S498 | I432-S436 WeakPolarHBondContact O-CB 3.43Å; I432-S436 PolarHBondContact O-N 2.95Å; R434-S436 VanDerWaalsContact C-N 3.31Å; R434-S436 PolarHBondContact O-N 3.33Å; S436-Q440 PolarHBondContact O-N 3.08Å; S436-Q440 VanDerWaalsContact O-N 3.07Å; S436-H496 VanDerWaalsContact CB-O 3.23Å; S436-H496 WeakPolarHBondContact CB-O 3.34Å; S436-H496 PolarHBondContact OG-O 3.42Å; S436-L497 WeakPolarHBondContact OG-CA 3.35Å; S436-S498 PolarHBondContact OG-N 3.36Å |
| 437 | R | 86.4 | Confident | 89.4 | Confident | 57 Ų | 57 | 40.9 Ų | 40.9 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.3 | -42.5 | 176 | 179.7 | 56.2 | 167.3 | 167.9 | -2.9 | 111.7 | E331 S433 R434 W435 Q440 L441 | E331-R437 IonicContact OE2-NH2 3.86Å; E331-R437 PolarHBondContact OE2-NH2 3.32Å; S433-R437 PolarHBondContact O-N 3.49Å; R434-R437 PolarHBondContact O-N 2.81Å; R434-R437 VanDerWaalsContact O-N 3.12Å; W435-R437 PolarHBondContact O-N 2.7Å; R437-Q440 WeakPolarHBondContact O-CB 3.35Å; R437-Q440 PolarHBondContact O-N 3.44Å; R437-L441 PolarHBondContact O-N 3.16Å |
| 438 | R | 90.3 | Very high | 89.6 | Confident | 5 Ų | 5 | 36.3 Ų | 36.3 | 2% | 0.019 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.4 | -42.3 | 177.1 | -170.6 | 178.9 | 165.1 | 162.7 | -4.1 | 111.8 | T378 E379 L382 E417 C421 R434 W435 Q440 L441 A442 | T378-R438 PolarHBondContact OG1-NH2 3.35Å; E379-R438 HydrophobicContact CG-CB 4.39Å; E379-R438 HydrophobicContact CG-CG 4.16Å; L382-R438 HydrophobicContact CD1-CG 4.23Å; E417-R438 IonicContact OE1-NH2 2.86Å; E417-R438 IonicContact OE2-CZ 3.34Å; E417-R438 IonicContact OE2-NE 2.68Å; E417-R438 PolarHBondContact OE2-NE 3.44Å; E417-R438 IonicContact OE2-NH2 3.89Å; E417-R438 PolarHBondContact OE2-NH2 3.39Å; C421-R438 WeakPolarHBondContact SG-CD 3.48Å; C421-R438 WeakPolarHBondContact SG-CG 3.35Å; C421-R438 PolarHBondContact SG-NE 3.41Å; C421-R438 VanDerWaalsContact SG-NE 3.35Å; R434-R438 PolarHBondContact O-N 3.19Å; W435-R438 PolarHBondContact O-N 3.3Å; R438-Q440 VanDerWaalsContact C-N 3.3Å; R438-Q440 PolarHBondContact O-N 2.89Å; R438-L441 PolarHBondContact O-N 3.14Å; R438-L441 VanDerWaalsContact O-N 3.16Å; R438-A442 WeakPolarHBondContact O-CB 3.34Å; R438-A442 PolarHBondContact O-N 2.96Å |
| 439 | A | 93.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.1 | -40.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L418 C421 V422 W435 A442 L443 L497 F501 | L418-A439 HydrophobicContact CD1-CB 4.49Å; L418-A439 WeakPolarHBondContact CD1-O 3.25Å; C421-A439 HydrophobicContact CB-CB 3.83Å; V422-A439 HydrophobicContact CG2-CB 4.02Å; W435-A439 VanDerWaalsContact O-CB 3.29Å; W435-A439 WeakPolarHBondContact O-CB 3.47Å; W435-A439 PolarHBondContact O-N 3.15Å; A439-A442 PolarHBondContact O-N 2.89Å; A439-L443 WeakPolarHBondContact O-CB 3.33Å; A439-L443 PolarHBondContact O-N 2.69Å; A439-L497 HydrophobicContact CB-CD2 4.25Å; A439-F501 HydrophobicContact CB-CD2 4.34Å; A439-F501 HydrophobicContact CB-CE2 3.96Å |
| 440 | Q | 93.1 | Very high | 90.5 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 1% | 0.014 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.6 | -44.4 | 174 | -167 | -172.2 | -2.4 | 0 | 0 | 112.3 | S436 R437 R438 A442 L443 Q444 S500 F501 D504 | S436-Q440 PolarHBondContact O-N 3.08Å; S436-Q440 VanDerWaalsContact O-N 3.07Å; R437-Q440 WeakPolarHBondContact O-CB 3.35Å; R437-Q440 PolarHBondContact O-N 3.44Å; R438-Q440 VanDerWaalsContact C-N 3.3Å; R438-Q440 PolarHBondContact O-N 2.89Å; Q440-A442 VanDerWaalsContact C-N 3.34Å; Q440-A442 PolarHBondContact O-N 3.13Å; Q440-L443 PolarHBondContact O-N 3.04Å; Q440-Q444 WeakPolarHBondContact O-CB 3.5Å; Q440-Q444 VanDerWaalsContact O-CG 3.28Å; Q440-Q444 WeakPolarHBondContact O-CG 3.48Å; Q440-Q444 PolarHBondContact O-N 3.24Å; Q440-S500 VanDerWaalsContact CD-OG 3.3Å; Q440-S500 VanDerWaalsContact NE2-CB 3.26Å; Q440-S500 PolarHBondContact NE2-OG 3.04Å; Q440-S500 PolarHBondContact OE1-OG 2.63Å; Q440-S500 VanDerWaalsContact OE1-OG 3.11Å; Q440-F501 HydrophobicContact CB-CD2 4.26Å; Q440-F501 HydrophobicContact CG-CB 4.49Å; Q440-D504 WeakPolarHBondContact CG-OD2 3.13Å; Q440-D504 PolarHBondContact NE2-OD2 3.32Å |
| 441 | L | 92.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.1 | -39.5 | 176.4 | -69.6 | 173.8 | 0 | 0 | 0 | 112 | E379 L382 W383 R437 R438 Q444 A445 | E379-L441 HydrophobicContact CB-CD1 4.16Å; E379-L441 HydrophobicContact CG-CD1 4.18Å; L382-L441 HydrophobicContact CB-CB 4.06Å; W383-L441 HydrophobicContact CB-CD2 4.27Å; R437-L441 PolarHBondContact O-N 3.16Å; R438-L441 PolarHBondContact O-N 3.14Å; R438-L441 VanDerWaalsContact O-N 3.16Å; L441-Q444 PolarHBondContact O-N 3.26Å; L441-A445 WeakPolarHBondContact O-CB 3.49Å; L441-A445 PolarHBondContact O-N 3.35Å |
| 442 | A | 95.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.3 | -45.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L382 V414 L418 R438 A439 Q440 Q444 A445 Y446 | L382-A442 HydrophobicContact CD1-CB 3.82Å; L382-A442 HydrophobicContact CD2-CB 4.3Å; V414-A442 WeakPolarHBondContact CG1-O 3.33Å; L418-A442 HydrophobicContact CB-CB 3.75Å; L418-A442 HydrophobicContact CD1-CB 4.03Å; L418-A442 HydrophobicContact CG-CB 4.42Å; R438-A442 WeakPolarHBondContact O-CB 3.34Å; R438-A442 PolarHBondContact O-N 2.96Å; A439-A442 PolarHBondContact O-N 2.89Å; Q440-A442 VanDerWaalsContact C-N 3.34Å; Q440-A442 PolarHBondContact O-N 3.13Å; A442-Q444 PolarHBondContact O-N 3.41Å; A442-A445 PolarHBondContact O-N 3.12Å; A442-Y446 PolarHBondContact O-N 2.75Å |
| 443 | L | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 174.5 | 176.5 | 64.8 | 0 | 0 | 0 | 111.8 | L418 A439 Q440 Y446 C447 L485 L488 F501 D504 L505 | L418-L443 HydrophobicContact CD1-CB 3.97Å; L418-L443 HydrophobicContact CD2-CB 4.2Å; L418-L443 HydrophobicContact CD2-CD1 4.17Å; A439-L443 WeakPolarHBondContact O-CB 3.33Å; A439-L443 PolarHBondContact O-N 2.69Å; Q440-L443 PolarHBondContact O-N 3.04Å; L443-Y446 PolarHBondContact O-N 2.65Å; L443-C447 WeakPolarHBondContact O-CB 3.21Å; L443-C447 PolarHBondContact O-N 3.43Å; L443-C447 PolarHBondContact O-SG 2.9Å; L443-L485 HydrophobicContact CD1-CD2 4.17Å; L443-L488 HydrophobicContact CD1-CD1 4.43Å; L443-F501 HydrophobicContact CB-CD2 4.44Å; L443-F501 HydrophobicContact CB-CE2 3.99Å; L443-F501 HydrophobicContact CD2-CD1 4.15Å; L443-F501 HydrophobicContact CD2-CD2 3.78Å; L443-F501 HydrophobicContact CD2-CE1 4.05Å; L443-F501 HydrophobicContact CD2-CE2 3.67Å; L443-F501 HydrophobicContact CD2-CG 4.02Å; L443-F501 HydrophobicContact CD2-CZ 3.8Å; L443-F501 WeakPolarHBondContact CD2-O 3.49Å; L443-F501 HydrophobicContact CG-CE2 4.44Å; L443-D504 HydrophobicContact CD2-CB 4.06Å; L443-L505 HydrophobicContact CD1-CD1 3.99Å; L443-L505 HydrophobicContact CD2-CB 3.84Å; L443-L505 HydrophobicContact CD2-CD1 4.49Å |
| 444 | Q | 94.2 | Very high | 92.5 | Very high | 31 Ų | 31 | 16.1 Ų | 16.1 | 15% | 0.145 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 176.3 | -72.7 | -179.9 | -4.6 | 0 | 0 | 111.9 | Q440 L441 A442 C447 E448 D504 | Q440-Q444 WeakPolarHBondContact O-CB 3.5Å; Q440-Q444 VanDerWaalsContact O-CG 3.28Å; Q440-Q444 WeakPolarHBondContact O-CG 3.48Å; Q440-Q444 PolarHBondContact O-N 3.24Å; L441-Q444 PolarHBondContact O-N 3.26Å; A442-Q444 PolarHBondContact O-N 3.41Å; Q444-C447 PolarHBondContact O-N 3.46Å; Q444-E448 WeakPolarHBondContact O-CG 3.23Å; Q444-E448 PolarHBondContact O-N 2.88Å; Q444-D504 HydrophobicContact CG-CB 4.31Å; Q444-D504 PolarHBondContact NE2-OD2 2.8Å |
| 445 | A | 95.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.008 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61.4 | -47.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L382 V414 L441 A442 C447 E448 Q449 | L382-A445 HydrophobicContact CD2-CB 4.26Å; V414-A445 HydrophobicContact CG1-CB 3.92Å; L441-A445 WeakPolarHBondContact O-CB 3.49Å; L441-A445 PolarHBondContact O-N 3.35Å; A442-A445 PolarHBondContact O-N 3.12Å; A445-C447 PolarHBondContact O-N 3.4Å; A445-E448 PolarHBondContact O-N 3.02Å; A445-Q449 WeakPolarHBondContact O-CG 3.44Å; A445-Q449 PolarHBondContact O-N 3.02Å |
| 446 | Y | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -59.5 | -46.6 | 177.5 | -172.3 | -107.3 | 0 | 0 | 0 | 112.2 | V411 Q415 A442 L443 E448 Q449 I450 Y481 L484 L485 | V411-Y446 HydrophobicContact CG1-CD2 4.38Å; V411-Y446 HydrophobicContact CG1-CE2 3.87Å; Q415-Y446 HydrophobicContact CB-CE2 4.28Å; A442-Y446 PolarHBondContact O-N 2.75Å; L443-Y446 PolarHBondContact O-N 2.65Å; Y446-E448 PolarHBondContact O-N 2.87Å; Y446-Q449 WeakPolarHBondContact O-CB 3.43Å; Y446-Q449 PolarHBondContact O-N 3.25Å; Y446-I450 HydrophobicContact CD1-CD1 3.86Å; Y446-I450 HydrophobicContact CE1-CD1 3.54Å; Y446-I450 PolarHBondContact O-N 2.99Å; Y446-I450 VanDerWaalsContact O-N 3.13Å; Y446-Y481 PolarHBondContact OH-O 2.63Å; Y446-L484 HydrophobicContact CD1-CD2 4.14Å; Y446-L484 HydrophobicContact CD2-CD2 4.45Å; Y446-L484 HydrophobicContact CE1-CD2 3.71Å; Y446-L484 HydrophobicContact CE2-CD2 4.06Å; Y446-L484 HydrophobicContact CG-CD2 4.48Å; Y446-L485 HydrophobicContact CD1-CD2 4.21Å; Y446-L485 HydrophobicContact CE1-CD2 4.12Å; Y446-L485 HydrophobicContact CE1-CG 4.38Å |
| 447 | C | 95.5 | Very high | 92.7 | Very high | 7 Ų | 7 | 13.2 Ų | 13.2 | 5% | 0.047 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.7 | -36.6 | 177.4 | -69 | 0 | 0 | 0 | 0 | 112.6 | L443 Q444 A445 K451 G508 | L443-C447 WeakPolarHBondContact O-CB 3.21Å; L443-C447 PolarHBondContact O-N 3.43Å; L443-C447 PolarHBondContact O-SG 2.9Å; Q444-C447 PolarHBondContact O-N 3.46Å; A445-C447 PolarHBondContact O-N 3.4Å; C447-K451 WeakPolarHBondContact O-CB 3.24Å; C447-K451 WeakPolarHBondContact O-CD 3.37Å; C447-K451 WeakPolarHBondContact O-CG 3.5Å; C447-K451 PolarHBondContact O-N 3.26Å; C447-G508 VanDerWaalsContact SG-CA 3.55Å |
| 448 | E | 93.7 | Very high | 92.7 | Very high | 4 Ų | 4 | 15.1 Ų | 15.1 | 2% | 0.019 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -76.6 | -26.8 | 174.3 | -64 | -58 | 144.1 | 0 | 0 | 113.2 | L389 R390 R393 Q444 A445 Y446 K451 A452 | L389-E448 HydrophobicContact CB-CB 4.09Å; R390-E448 HydrophobicContact CB-CG 4.3Å; R390-E448 IonicContact CZ-OE1 2.6Å; R390-E448 IonicContact NE-OE1 3.86Å; R390-E448 PolarHBondContact NE-OE1 3.14Å; R390-E448 IonicContact NE-OE2 2.88Å; R390-E448 IonicContact NH2-OE1 2.91Å; R390-E448 PolarHBondContact NH2-OE1 3.14Å; R393-E448 IonicContact NE-OE2 3.23Å; Q444-E448 WeakPolarHBondContact O-CG 3.23Å; Q444-E448 PolarHBondContact O-N 2.88Å; A445-E448 PolarHBondContact O-N 3.02Å; Y446-E448 PolarHBondContact O-N 2.87Å; E448-K451 PolarHBondContact O-N 2.87Å; E448-K451 WeakPolarHBondContact OE1-CD 3.49Å; E448-K451 IonicContact OE1-NZ 3.96Å; E448-K451 PolarHBondContact OE1-NZ 3.32Å; E448-K451 WeakPolarHBondContact OE2-CD 3.45Å; E448-A452 WeakPolarHBondContact O-CB 3.16Å; E448-A452 PolarHBondContact O-N 3.02Å |
| 449 | Q | 94.5 | Very high | 92.2 | Very high | 4 Ų | 4 | 15.9 Ų | 15.9 | 2% | 0.019 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.6 | -52.2 | 168.7 | -77.9 | 172.2 | -44.8 | 0 | 0 | 111 | L389 L405 A410 V411 A445 Y446 K451 A452 L453 | L389-Q449 HydrophobicContact CD1-CB 4.35Å; L389-Q449 HydrophobicContact CD1-CG 3.7Å; L405-Q449 WeakPolarHBondContact O-CG 3.45Å; L405-Q449 PolarHBondContact O-NE2 2.93Å; A410-Q449 PolarHBondContact O-NE2 3.45Å; A410-Q449 VanDerWaalsContact O-NE2 3.11Å; V411-Q449 HydrophobicContact CG2-CB 4.44Å; A445-Q449 WeakPolarHBondContact O-CG 3.44Å; A445-Q449 PolarHBondContact O-N 3.02Å; Y446-Q449 WeakPolarHBondContact O-CB 3.43Å; Y446-Q449 PolarHBondContact O-N 3.25Å; Q449-K451 VanDerWaalsContact C-N 3.34Å; Q449-K451 PolarHBondContact O-N 3Å; Q449-A452 PolarHBondContact O-N 3.45Å; Q449-L453 WeakPolarHBondContact O-CB 3.24Å; Q449-L453 WeakPolarHBondContact O-CG 3.16Å; Q449-L453 PolarHBondContact O-N 2.99Å |
| 450 | I | 94.1 | Very high | 91.4 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.015 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61 | -43.9 | 178.4 | -59.9 | 160.1 | 0 | 0 | 0 | 110.6 | Y446 A452 W454 L472 I475 F511 Y512 | Y446-I450 HydrophobicContact CD1-CD1 3.86Å; Y446-I450 HydrophobicContact CE1-CD1 3.54Å; Y446-I450 PolarHBondContact O-N 2.99Å; Y446-I450 VanDerWaalsContact O-N 3.13Å; I450-A452 VanDerWaalsContact C-N 3.34Å; I450-A452 PolarHBondContact O-N 2.96Å; I450-W454 WeakPolarHBondContact O-CB 3.4Å; I450-W454 PolarHBondContact O-N 3.35Å; I450-L472 HydrophobicContact CG2-CD2 4.21Å; I450-I475 HydrophobicContact CG1-CD1 4.46Å; I450-F511 HydrophobicContact CG2-CD1 4.24Å; I450-F511 HydrophobicContact CG2-CE1 4.09Å; I450-Y512 HydrophobicContact CD1-CD2 4.17Å |
| 451 | K | 92.9 | Very high | 91 | Very high | 31 Ų | 31 | 24.4 Ų | 24.4 | 14% | 0.135 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.7 | -34.7 | 176.1 | -71.7 | 169.8 | -164.6 | 176.1 | 0 | 113.7 | R393 C447 E448 Q449 F455 F511 | R393-K451 PolarHBondContact NH1-O 3.23Å; C447-K451 WeakPolarHBondContact O-CB 3.24Å; C447-K451 WeakPolarHBondContact O-CD 3.37Å; C447-K451 WeakPolarHBondContact O-CG 3.5Å; C447-K451 PolarHBondContact O-N 3.26Å; E448-K451 PolarHBondContact O-N 2.87Å; E448-K451 WeakPolarHBondContact OE1-CD 3.49Å; E448-K451 IonicContact OE1-NZ 3.96Å; E448-K451 PolarHBondContact OE1-NZ 3.32Å; E448-K451 WeakPolarHBondContact OE2-CD 3.45Å; Q449-K451 VanDerWaalsContact C-N 3.34Å; Q449-K451 PolarHBondContact O-N 3Å; K451-F455 WeakPolarHBondContact O-CB 3.4Å; K451-F455 PolarHBondContact O-N 3.15Å; K451-F455 VanDerWaalsContact O-N 3.16Å; K451-F511 VanDerWaalsContact CA-CE1 3.42Å; K451-F511 HydrophobicContact CB-CD1 4.41Å; K451-F511 HydrophobicContact CB-CE1 3.93Å; K451-F511 HydrophobicContact CB-CZ 4.17Å; K451-F511 HydrophobicContact CG-CD1 3.42Å; K451-F511 VanDerWaalsContact CG-CD1 3.42Å; K451-F511 HydrophobicContact CG-CD2 4.21Å; K451-F511 HydrophobicContact CG-CE1 3.4Å; K451-F511 VanDerWaalsContact CG-CE1 3.4Å; K451-F511 HydrophobicContact CG-CE2 4.18Å; K451-F511 HydrophobicContact CG-CG 3.85Å; K451-F511 HydrophobicContact CG-CZ 3.79Å |
| 452 | A | 91.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -77.8 | -43.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L389 R393 T406 E448 Q449 I450 W454 F455 I456 | L389-A452 HydrophobicContact CB-CB 4.05Å; L389-A452 HydrophobicContact CD1-CB 4.37Å; L389-A452 HydrophobicContact CD2-CB 3.86Å; L389-A452 HydrophobicContact CG-CB 4.32Å; R393-A452 HydrophobicContact CG-CB 4.47Å; T406-A452 HydrophobicContact CG2-CB 4.35Å; E448-A452 WeakPolarHBondContact O-CB 3.16Å; E448-A452 PolarHBondContact O-N 3.02Å; Q449-A452 PolarHBondContact O-N 3.45Å; I450-A452 VanDerWaalsContact C-N 3.34Å; I450-A452 PolarHBondContact O-N 2.96Å; A452-W454 VanDerWaalsContact C-N 3.32Å; A452-W454 PolarHBondContact O-N 3.1Å; A452-F455 WeakPolarHBondContact O-CB 3.17Å; A452-F455 PolarHBondContact O-N 3.45Å; A452-F455 VanDerWaalsContact O-N 3.09Å; A452-I456 VanDerWaalsContact O-CG1 3.27Å; A452-I456 WeakPolarHBondContact O-CG1 3.32Å; A452-I456 PolarHBondContact O-N 2.86Å |
| 453 | L | 92.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.9 | -48.7 | 171.3 | -78.5 | 168.4 | 0 | 0 | 0 | 111.3 | T406 V411 Q449 F455 I456 S457 A468 T471 L472 I475 | T406-L453 HydrophobicContact CG2-CD2 4.45Å; T406-L453 HydrophobicContact CG2-CG 4.4Å; V411-L453 HydrophobicContact CG2-CD1 4.42Å; Q449-L453 WeakPolarHBondContact O-CB 3.24Å; Q449-L453 WeakPolarHBondContact O-CG 3.16Å; Q449-L453 PolarHBondContact O-N 2.99Å; L453-F455 VanDerWaalsContact C-N 3.34Å; L453-F455 PolarHBondContact O-N 3.18Å; L453-I456 PolarHBondContact O-N 3.25Å; L453-S457 PolarHBondContact O-N 3.31Å; L453-A468 HydrophobicContact CD2-CB 3.9Å; L453-T471 HydrophobicContact CD1-CG2 3.72Å; L453-T471 HydrophobicContact CD2-CG2 4Å; L453-L472 HydrophobicContact CB-CD1 4.1Å; L453-L472 HydrophobicContact CB-CD2 3.8Å; L453-L472 HydrophobicContact CB-CG 3.81Å; L453-L472 HydrophobicContact CD1-CD2 4.21Å; L453-L472 HydrophobicContact CD1-CG 4.43Å; L453-I475 HydrophobicContact CD1-CD1 3.67Å |
| 454 | W | 92.2 | Very high | 89.5 | Confident | 51 Ų | 51 | 36.1 Ų | 36.1 | 19% | 0.193 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.4 | -41.2 | 174.9 | 177.8 | -110.8 | 0 | 0 | 0 | 112.9 | I450 A452 I456 S457 Q458 L472 F511 V515 F518 F519 | I450-W454 WeakPolarHBondContact O-CB 3.4Å; I450-W454 PolarHBondContact O-N 3.35Å; A452-W454 VanDerWaalsContact C-N 3.32Å; A452-W454 PolarHBondContact O-N 3.1Å; W454-I456 VanDerWaalsContact C-N 3.32Å; W454-I456 PolarHBondContact O-N 3.43Å; W454-S457 PolarHBondContact O-N 3.02Å; W454-S457 PolarHBondContact O-OG 2.89Å; W454-Q458 HydrophobicContact CD2-CG 4.32Å; W454-Q458 HydrophobicContact CH2-CG 4.41Å; W454-Q458 HydrophobicContact CZ2-CG 4.07Å; W454-Q458 VanDerWaalsContact CZ3-NE2 3.31Å; W454-Q458 WeakPolarHBondContact O-CG 3.25Å; W454-Q458 PolarHBondContact O-N 3.32Å; W454-L472 HydrophobicContact CE3-CD1 4.39Å; W454-F511 HydrophobicContact CB-CE1 4.3Å; W454-F511 HydrophobicContact CB-CZ 3.97Å; W454-F511 AromaticContact CD1-CZ 3.63Å; W454-F511 AromaticContact CG-CZ 3.95Å; W454-F511 HydrophobicContact CG-CZ 3.95Å; W454-V515 HydrophobicContact CB-CG2 4.1Å; W454-V515 HydrophobicContact CD2-CG1 4.07Å; W454-V515 HydrophobicContact CD2-CG2 3.89Å; W454-V515 HydrophobicContact CE3-CG1 3.58Å; W454-V515 HydrophobicContact CE3-CG2 4.26Å; W454-V515 HydrophobicContact CG-CG2 3.82Å; W454-V515 HydrophobicContact CZ3-CG1 4.07Å; W454-F518 HydrophobicContact CH2-CB 3.98Å; W454-F518 AromaticContact CH2-CD1 3.33Å; W454-F518 HydrophobicContact CH2-CD1 3.33Å; W454-F518 AromaticContact CH2-CD2 3.77Å; W454-F518 HydrophobicContact CH2-CD2 3.77Å; W454-F518 AromaticContact CH2-CE1 3.62Å; W454-F518 HydrophobicContact CH2-CE1 3.62Å; W454-F518 HydrophobicContact CH2-CE2 4.03Å; W454-F518 AromaticContact CH2-CG 3.41Å; W454-F518 HydrophobicContact CH2-CG 3.41Å; W454-F518 VanDerWaalsContact CH2-CG 3.41Å; W454-F518 AromaticContact CH2-CZ 3.96Å; W454-F518 HydrophobicContact CH2-CZ 3.96Å; W454-F518 HydrophobicContact CZ2-CD2 4.47Å; W454-F518 HydrophobicContact CZ2-CG 4.36Å; W454-F518 HydrophobicContact CZ3-CB 4.49Å; W454-F518 AromaticContact CZ3-CD1 3.53Å; W454-F518 HydrophobicContact CZ3-CD1 3.53Å; W454-F518 AromaticContact CZ3-CE1 3.84Å; W454-F518 HydrophobicContact CZ3-CE1 3.84Å; W454-F518 HydrophobicContact CZ3-CG 4.03Å; W454-F519 HydrophobicContact CE3-CE2 4.11Å; W454-F519 HydrophobicContact CZ3-CD2 4.37Å; W454-F519 AromaticContact CZ3-CE2 3.87Å; W454-F519 HydrophobicContact CZ3-CE2 3.87Å |
| 455 | F | 89.6 | Confident | 89.2 | Confident | 32 Ų | 32 | 35.3 Ų | 35.3 | 14% | 0.14 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.2 | -33.6 | 177.5 | 175.1 | -101.9 | 0 | 0 | 0 | 113 | R393 R398 K451 A452 L453 | R393-F455 HydrophobicContact CG-CB 3.93Å; R393-F455 HydrophobicContact CG-CD1 4.15Å; R393-F455 HydrophobicContact CG-CG 4.03Å; R398-F455 HydrophobicContact CG-CD1 4.44Å; R398-F455 HydrophobicContact CG-CE1 3.44Å; R398-F455 VanDerWaalsContact CG-CE1 3.44Å; R398-F455 HydrophobicContact CG-CZ 3.58Å; K451-F455 WeakPolarHBondContact O-CB 3.4Å; K451-F455 PolarHBondContact O-N 3.15Å; K451-F455 VanDerWaalsContact O-N 3.16Å; A452-F455 WeakPolarHBondContact O-CB 3.17Å; A452-F455 PolarHBondContact O-N 3.45Å; A452-F455 VanDerWaalsContact O-N 3.09Å; L453-F455 VanDerWaalsContact C-N 3.34Å; L453-F455 PolarHBondContact O-N 3.18Å |
| 456 | I | 88.8 | Confident | 88.9 | Confident | 20 Ų | 20 | 38.1 Ų | 38.1 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.8 | -38.9 | 176.3 | -64.5 | 162.1 | 0 | 0 | 0 | 110.8 | T406 A452 L453 W454 Q458 G459 A464 A468 | T406-I456 HydrophobicContact CG2-CD1 4.2Å; A452-I456 VanDerWaalsContact O-CG1 3.27Å; A452-I456 WeakPolarHBondContact O-CG1 3.32Å; A452-I456 PolarHBondContact O-N 2.86Å; L453-I456 PolarHBondContact O-N 3.25Å; W454-I456 VanDerWaalsContact C-N 3.32Å; W454-I456 PolarHBondContact O-N 3.43Å; I456-Q458 PolarHBondContact O-N 3.03Å; I456-G459 WeakPolarHBondContact O-CA 3.46Å; I456-G459 PolarHBondContact O-N 3.4Å; I456-A464 HydrophobicContact CG2-CB 3.96Å; I456-A464 WeakPolarHBondContact CG2-O 3.3Å; I456-A468 HydrophobicContact CB-CB 3.87Å; I456-A468 HydrophobicContact CG2-CB 3.67Å |
| 457 | S | 87.9 | Confident | 88.5 | Confident | 23 Ų | 23 | 40.7 Ų | 40.7 | 16% | 0.161 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.7 | -24.1 | 176.9 | 72.2 | 0 | 0 | 0 | 0 | 113.2 | L453 W454 G459 | L453-S457 PolarHBondContact O-N 3.31Å; W454-S457 PolarHBondContact O-N 3.02Å; W454-S457 PolarHBondContact O-OG 2.89Å; S457-G459 VanDerWaalsContact C-N 3.3Å |
| 458 | Q | 86.1 | Confident | 88.2 | Confident | 96 Ų | 96 | 40.5 Ų | 40.5 | 45% | 0.449 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 14.9 | 171.2 | -57.9 | -59.6 | -32.5 | 0 | 0 | 112.9 | W454 I456 | W454-Q458 HydrophobicContact CD2-CG 4.32Å; W454-Q458 HydrophobicContact CH2-CG 4.41Å; W454-Q458 HydrophobicContact CZ2-CG 4.07Å; W454-Q458 VanDerWaalsContact CZ3-NE2 3.31Å; W454-Q458 WeakPolarHBondContact O-CG 3.25Å; W454-Q458 PolarHBondContact O-N 3.32Å; I456-Q458 PolarHBondContact O-N 3.03Å |
| 459 | G | 79.6 | Confident | 88 | Confident | 22 Ų | 22 | 42.3 Ų | 42.3 | 23% | 0.227 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -80.6 | 168.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | I456 S457 | I456-G459 WeakPolarHBondContact O-CA 3.46Å; I456-G459 PolarHBondContact O-N 3.4Å; S457-G459 VanDerWaalsContact C-N 3.3Å |
| 460 | S | 77.1 | Confident | 87.9 | Confident | 111 Ų | 111 | 48.4 Ų | 48.4 | 78% | 0.776 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -86.3 | -9.4 | 176.8 | -47.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 461 | D | 83.8 | Confident | 87.7 | Confident | 70 Ų | 70 | 48.7 Ų | 48.7 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | trans | -92.5 | 113.4 | 179.6 | 176.9 | 8.2 | 0 | 0 | 0 | 109.5 | D463 A464 A465 | D461-D463 PolarHBondContact O-N 3.36Å; D461-D463 PolarHBondContact OD1-N 3.34Å; D461-A464 HydrophobicContact CB-CB 4.21Å; D461-A464 WeakPolarHBondContact OD2-CB 3.36Å; D461-A465 WeakPolarHBondContact O-CB 3.45Å; D461-A465 PolarHBondContact O-N 3.01Å | ||
| 462 | P | 84.3 | Confident | 87.7 | Confident | 93 Ų | 93 | 47.2 Ų | 47.2 | 60% | 0.604 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -66 | -35.5 | -172.5 | 27 | -35.2 | 0 | 0 | 0 | 113.3 | A466 | P462-A466 VanDerWaalsContact O-CB 3.24Å; P462-A466 WeakPolarHBondContact O-CB 3.34Å; P462-A466 PolarHBondContact O-N 3.2Å |
| 463 | D | 85.8 | Confident | 87.6 | Confident | 130 Ų | 130 | 47.6 Ų | 47.6 | 70% | 0.695 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -73.6 | -45.2 | -174.7 | -68.4 | -16.8 | 0 | 0 | 0 | 110.5 | D461 A466 S467 | D461-D463 PolarHBondContact O-N 3.36Å; D461-D463 PolarHBondContact OD1-N 3.34Å; D463-A466 PolarHBondContact O-N 2.91Å; D463-S467 PolarHBondContact O-N 2.97Å |
| 464 | A | 84.8 | Confident | 87.5 | Confident | 25 Ų | 25 | 49 Ų | 49 | 21% | 0.207 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I456 D461 A468 | I456-A464 HydrophobicContact CG2-CB 3.96Å; I456-A464 WeakPolarHBondContact CG2-O 3.3Å; D461-A464 HydrophobicContact CB-CB 4.21Å; D461-A464 WeakPolarHBondContact OD2-CB 3.36Å; A464-A468 VanDerWaalsContact O-CB 3.32Å; A464-A468 WeakPolarHBondContact O-CB 3.22Å; A464-A468 PolarHBondContact O-N 3.42Å |
| 465 | A | 86.9 | Confident | 87.5 | Confident | 15 Ų | 15 | 46.7 Ų | 46.7 | 12% | 0.124 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D461 S469 | D461-A465 WeakPolarHBondContact O-CB 3.45Å; D461-A465 PolarHBondContact O-N 3.01Å; A465-S469 VanDerWaalsContact O-CB 3.3Å; A465-S469 WeakPolarHBondContact O-CB 3.31Å; A465-S469 PolarHBondContact O-N 3.43Å |
| 466 | A | 88.4 | Confident | 87.4 | Confident | 59 Ų | 59 | 45.1 Ų | 45.1 | 49% | 0.488 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.2 | -49.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P462 D463 A468 S469 E470 | P462-A466 VanDerWaalsContact O-CB 3.24Å; P462-A466 WeakPolarHBondContact O-CB 3.34Å; P462-A466 PolarHBondContact O-N 3.2Å; D463-A466 PolarHBondContact O-N 2.91Å; A466-A468 VanDerWaalsContact C-N 3.33Å; A466-A468 PolarHBondContact O-N 2.99Å; A466-S469 PolarHBondContact O-N 2.91Å; A466-E470 WeakPolarHBondContact O-CB 3.44Å; A466-E470 PolarHBondContact O-N 2.81Å |
| 467 | S | 88.1 | Confident | 87.2 | Confident | 54 Ų | 54 | 49.9 Ų | 49.9 | 38% | 0.378 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.1 | -37.2 | 179.2 | -176.2 | 0 | 0 | 0 | 0 | 113 | D463 T471 | D463-S467 PolarHBondContact O-N 2.97Å; S467-T471 PolarHBondContact O-N 3.42Å; S467-T471 PolarHBondContact O-OG1 3.14Å |
| 468 | A | 90 | Very high | 87.1 | Confident | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.033 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69 | -40.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L453 I456 A464 A466 T471 L472 | L453-A468 HydrophobicContact CD2-CB 3.9Å; I456-A468 HydrophobicContact CB-CB 3.87Å; I456-A468 HydrophobicContact CG2-CB 3.67Å; A464-A468 VanDerWaalsContact O-CB 3.32Å; A464-A468 WeakPolarHBondContact O-CB 3.22Å; A464-A468 PolarHBondContact O-N 3.42Å; A466-A468 VanDerWaalsContact C-N 3.33Å; A466-A468 PolarHBondContact O-N 2.99Å; A468-T471 PolarHBondContact O-N 3.29Å; A468-L472 WeakPolarHBondContact O-CG 3.45Å; A468-L472 PolarHBondContact O-N 3.48Å |
| 469 | S | 89.8 | Confident | 87.1 | Confident | 42 Ų | 42 | 48.5 Ų | 48.5 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 175.6 | -168.3 | 0 | 0 | 0 | 0 | 112.2 | A465 A466 L472 G473 | A465-S469 VanDerWaalsContact O-CB 3.3Å; A465-S469 WeakPolarHBondContact O-CB 3.31Å; A465-S469 PolarHBondContact O-N 3.43Å; A466-S469 PolarHBondContact O-N 2.91Å; S469-L472 PolarHBondContact O-N 2.63Å; S469-G473 PolarHBondContact O-N 3.2Å |
| 470 | E | 90.8 | Very high | 87.4 | Confident | 132 Ų | 132 | 51.9 Ų | 51.9 | 62% | 0.617 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.4 | -46.4 | 173.6 | -178.8 | 176.9 | -158.2 | 0 | 0 | 111.3 | A466 L472 G473 V474 | A466-E470 WeakPolarHBondContact O-CB 3.44Å; A466-E470 PolarHBondContact O-N 2.81Å; E470-L472 PolarHBondContact O-N 2.8Å; E470-G473 CarbonylContact O-C 2.93Å; E470-G473 WeakPolarHBondContact O-CA 3.48Å; E470-G473 PolarHBondContact O-N 3.07Å; E470-G473 VanDerWaalsContact O-N 3.12Å; E470-V474 PolarHBondContact O-N 3.18Å |
| 471 | T | 91.3 | Very high | 88.1 | Confident | 8 Ų | 8 | 47.5 Ų | 47.5 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63 | -41.2 | 177.9 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | T406 V408 V411 L453 S467 A468 G473 V474 I475 | T406-T471 WeakPolarHBondContact O-CG2 2.88Å; V408-T471 HydrophobicContact CG2-CG2 3.96Å; V411-T471 HydrophobicContact CG2-CG2 4.45Å; L453-T471 HydrophobicContact CD1-CG2 3.72Å; L453-T471 HydrophobicContact CD2-CG2 4Å; S467-T471 PolarHBondContact O-N 3.42Å; S467-T471 PolarHBondContact O-OG1 3.14Å; A468-T471 PolarHBondContact O-N 3.29Å; T471-G473 VanDerWaalsContact C-N 3.34Å; T471-V474 PolarHBondContact O-N 3.12Å; T471-I475 HydrophobicContact CG2-CD1 4.35Å; T471-I475 WeakPolarHBondContact O-CG1 3.43Å; T471-I475 PolarHBondContact O-N 2.88Å |
| 472 | L | 92 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 171.8 | -72.9 | 167.9 | 0 | 0 | 0 | 111.6 | I450 L453 W454 A468 S469 E470 V474 I475 F476 F519 | I450-L472 HydrophobicContact CG2-CD2 4.21Å; L453-L472 HydrophobicContact CB-CD1 4.1Å; L453-L472 HydrophobicContact CB-CD2 3.8Å; L453-L472 HydrophobicContact CB-CG 3.81Å; L453-L472 HydrophobicContact CD1-CD2 4.21Å; L453-L472 HydrophobicContact CD1-CG 4.43Å; W454-L472 HydrophobicContact CE3-CD1 4.39Å; A468-L472 WeakPolarHBondContact O-CG 3.45Å; A468-L472 PolarHBondContact O-N 3.48Å; S469-L472 PolarHBondContact O-N 2.63Å; E470-L472 PolarHBondContact O-N 2.8Å; L472-V474 VanDerWaalsContact C-N 3.25Å; L472-V474 PolarHBondContact O-N 3.08Å; L472-I475 HydrophobicContact CD2-CD1 4.46Å; L472-I475 WeakPolarHBondContact O-CB 3.31Å; L472-I475 PolarHBondContact O-N 3.32Å; L472-I475 VanDerWaalsContact O-N 3.09Å; L472-F476 HydrophobicContact CB-CE2 4Å; L472-F476 HydrophobicContact CD2-CE2 4.43Å; L472-F476 HydrophobicContact CD2-CZ 4.4Å; L472-F476 WeakPolarHBondContact O-CD2 3.43Å; L472-F476 WeakPolarHBondContact O-CG 3.34Å; L472-F476 PolarHBondContact O-N 3.23Å; L472-F519 HydrophobicContact CB-CE1 4.24Å; L472-F519 HydrophobicContact CB-CE2 4.11Å; L472-F519 HydrophobicContact CB-CZ 3.66Å; L472-F519 HydrophobicContact CD1-CE2 3.82Å; L472-F519 HydrophobicContact CD1-CZ 3.79Å; L472-F519 HydrophobicContact CG-CZ 4.38Å |
| 473 | G | 89.1 | Confident | 88.5 | Confident | 11 Ų | 11 | 42 Ų | 42 | 11% | 0.113 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.2 | -29.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S469 E470 T471 R477 | S469-G473 PolarHBondContact O-N 3.2Å; E470-G473 CarbonylContact O-C 2.93Å; E470-G473 WeakPolarHBondContact O-CA 3.48Å; E470-G473 PolarHBondContact O-N 3.07Å; E470-G473 VanDerWaalsContact O-N 3.12Å; T471-G473 VanDerWaalsContact C-N 3.34Å; G473-R477 WeakPolarHBondContact O-CB 3.45Å; G473-R477 VanDerWaalsContact O-CG 3.25Å; G473-R477 WeakPolarHBondContact O-CG 3.38Å; G473-R477 PolarHBondContact O-N 2.6Å; G473-R477 PolarHBondContact O-NE 3.24Å |
| 474 | V | 91 | Very high | 88.8 | Confident | 31 Ų | 31 | 36.3 Ų | 36.3 | 19% | 0.188 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71.5 | -46.3 | 169.7 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | V408 E470 T471 L472 F476 R477 V478 Y481 | V408-V474 HydrophobicContact CG1-CG1 4.07Å; V408-V474 HydrophobicContact CG2-CB 4.41Å; V408-V474 HydrophobicContact CG2-CG1 4.4Å; V408-V474 HydrophobicContact CG2-CG2 4.35Å; E470-V474 PolarHBondContact O-N 3.18Å; T471-V474 PolarHBondContact O-N 3.12Å; L472-V474 VanDerWaalsContact C-N 3.25Å; L472-V474 PolarHBondContact O-N 3.08Å; V474-F476 VanDerWaalsContact C-N 3.28Å; V474-F476 PolarHBondContact O-N 3.43Å; V474-R477 PolarHBondContact O-N 2.91Å; V474-V478 HydrophobicContact CG1-CG2 3.82Å; V474-V478 WeakPolarHBondContact O-CB 3.46Å; V474-V478 WeakPolarHBondContact O-CG2 3.32Å; V474-V478 PolarHBondContact O-N 3.13Å; V474-Y481 HydrophobicContact CG1-CE2 4.22Å |
| 475 | I | 91.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.5 | -40.3 | 178.4 | -69.7 | 166.9 | 0 | 0 | 0 | 112.2 | V411 I450 L453 T471 L472 Y481 Y512 | V411-I475 HydrophobicContact CG1-CD1 4Å; V411-I475 HydrophobicContact CG1-CG1 4.03Å; V411-I475 HydrophobicContact CG2-CD1 4.31Å; I450-I475 HydrophobicContact CG1-CD1 4.46Å; L453-I475 HydrophobicContact CD1-CD1 3.67Å; T471-I475 HydrophobicContact CG2-CD1 4.35Å; T471-I475 WeakPolarHBondContact O-CG1 3.43Å; T471-I475 PolarHBondContact O-N 2.88Å; L472-I475 HydrophobicContact CD2-CD1 4.46Å; L472-I475 WeakPolarHBondContact O-CB 3.31Å; L472-I475 PolarHBondContact O-N 3.32Å; L472-I475 VanDerWaalsContact O-N 3.09Å; I475-Y481 WeakPolarHBondContact O-CB 3.43Å; I475-Y512 HydrophobicContact CG2-CE2 4.26Å |
| 476 | F | 89 | Confident | 89.4 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -81.9 | -28.3 | -179.7 | -56.2 | -53 | 0 | 0 | 0 | 114 | L472 V474 R482 Y512 V515 L516 F519 M527 | L472-F476 HydrophobicContact CB-CE2 4Å; L472-F476 HydrophobicContact CD2-CE2 4.43Å; L472-F476 HydrophobicContact CD2-CZ 4.4Å; L472-F476 WeakPolarHBondContact O-CD2 3.43Å; L472-F476 WeakPolarHBondContact O-CG 3.34Å; L472-F476 PolarHBondContact O-N 3.23Å; V474-F476 VanDerWaalsContact C-N 3.28Å; V474-F476 PolarHBondContact O-N 3.43Å; F476-R482 PolarHBondContact O-NH1 3.41Å; F476-Y512 HydrophobicContact CD1-CD2 4.49Å; F476-Y512 AromaticContact CD1-CE2 3.64Å; F476-Y512 HydrophobicContact CD1-CE2 3.64Å; F476-Y512 AromaticContact CD1-CZ 3.85Å; F476-Y512 AromaticContact CE1-CD2 3.86Å; F476-Y512 HydrophobicContact CE1-CD2 3.86Å; F476-Y512 AromaticContact CE1-CE2 3.45Å; F476-Y512 HydrophobicContact CE1-CE2 3.45Å; F476-Y512 VanDerWaalsContact CE1-CE2 3.45Å; F476-Y512 AromaticContact CE1-CZ 3.95Å; F476-V515 HydrophobicContact CE2-CG1 4.06Å; F476-V515 HydrophobicContact CZ-CB 4.13Å; F476-V515 HydrophobicContact CZ-CG1 3.67Å; F476-L516 HydrophobicContact CB-CD1 4.39Å; F476-L516 HydrophobicContact CD1-CB 4.39Å; F476-L516 HydrophobicContact CD1-CD1 3.9Å; F476-L516 HydrophobicContact CE1-CB 4.03Å; F476-L516 HydrophobicContact CE1-CD1 4.39Å; F476-L516 HydrophobicContact CG-CD1 4.15Å; F476-L516 HydrophobicContact CZ-CB 4.47Å; F476-F519 HydrophobicContact CD2-CB 4.34Å; F476-F519 HydrophobicContact CD2-CD1 4.35Å; F476-F519 HydrophobicContact CD2-CD2 4.38Å; F476-F519 HydrophobicContact CD2-CG 4.1Å; F476-F519 HydrophobicContact CE2-CB 4.28Å; F476-F519 HydrophobicContact CE2-CD1 4.35Å; F476-F519 AromaticContact CE2-CD2 3.65Å; F476-F519 HydrophobicContact CE2-CD2 3.65Å; F476-F519 HydrophobicContact CE2-CE2 4.02Å; F476-F519 AromaticContact CE2-CG 3.83Å; F476-F519 HydrophobicContact CE2-CG 3.83Å; F476-M527 HydrophobicContact CB-CE 3.38Å; F476-M527 HydrophobicContact CB-SD 3.89Å; F476-M527 HydrophobicContact CG-CE 4.48Å |
| 477 | R | 84.9 | Confident | 89.5 | Confident | 120 Ų | 120 | 34.3 Ų | 34.3 | 45% | 0.453 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -81.6 | -40.3 | -179.2 | -76.2 | -177 | -67.1 | 165.3 | -1.1 | 113.8 | G473 V474 R482 M527 V529 | G473-R477 WeakPolarHBondContact O-CB 3.45Å; G473-R477 VanDerWaalsContact O-CG 3.25Å; G473-R477 WeakPolarHBondContact O-CG 3.38Å; G473-R477 PolarHBondContact O-N 2.6Å; G473-R477 PolarHBondContact O-NE 3.24Å; V474-R477 PolarHBondContact O-N 2.91Å; R477-R482 VanDerWaalsContact C-NH1 3.31Å; R477-R482 PolarHBondContact O-NH1 2.83Å; R477-M527 HydrophobicContact CG-SD 4.35Å; R477-V529 HydrophobicContact CG-CG1 4.36Å |
| 478 | V | 85.4 | Confident | 89.8 | Confident | 47 Ų | 47 | 32.3 Ų | 32.3 | 29% | 0.285 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -71.5 | 132.1 | 179.8 | 174.2 | 0 | 0 | 0 | 0 | 110 | V474 E480 Y481 R482 | V474-V478 HydrophobicContact CG1-CG2 3.82Å; V474-V478 WeakPolarHBondContact O-CB 3.46Å; V474-V478 WeakPolarHBondContact O-CG2 3.32Å; V474-V478 PolarHBondContact O-N 3.13Å; V478-E480 HydrophobicContact CG1-CB 4.19Å; V478-E480 WeakPolarHBondContact CG1-OE2 3.33Å; V478-E480 PolarHBondContact O-N 3.44Å; V478-Y481 HydrophobicContact CB-CD2 3.57Å; V478-Y481 HydrophobicContact CB-CE2 3.94Å; V478-Y481 HydrophobicContact CB-CG 4.34Å; V478-Y481 HydrophobicContact CG1-CD2 3.64Å; V478-Y481 HydrophobicContact CG1-CE2 3.76Å; V478-Y481 HydrophobicContact CG1-CG 4.17Å; V478-Y481 HydrophobicContact CG2-CD2 4.2Å; V478-Y481 HydrophobicContact CG2-CE2 4.18Å; V478-R482 WeakPolarHBondContact O-CB 3.29Å; V478-R482 PolarHBondContact O-N 3.49Å; V478-R482 VanDerWaalsContact O-N 3.16Å |
| 479 | V | 84.7 | Confident | 89.9 | Confident | 42 Ų | 42 | 32.1 Ų | 32.1 | 26% | 0.255 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -67.5 | -41.1 | -170.2 | -167.6 | 0 | 0 | 0 | 0 | 111 | Y481 R482 E483 | V479-Y481 VanDerWaalsContact C-N 3.34Å; V479-Y481 PolarHBondContact O-N 3.48Å; V479-R482 PolarHBondContact O-N 2.97Å; V479-E483 HydrophobicContact CG1-CG 4.04Å; V479-E483 WeakPolarHBondContact O-CB 3.47Å; V479-E483 PolarHBondContact O-N 3.24Å |
| 480 | E | 87.2 | Confident | 89.9 | Confident | 94 Ų | 94 | 33.5 Ų | 33.5 | 44% | 0.439 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.4 | -40.5 | -175.8 | -64.8 | 69.1 | -157.9 | 0 | 0 | 111.1 | V478 L484 | V478-E480 HydrophobicContact CG1-CB 4.19Å; V478-E480 WeakPolarHBondContact CG1-OE2 3.33Å; V478-E480 PolarHBondContact O-N 3.44Å; E480-L484 WeakPolarHBondContact O-CB 3.03Å; E480-L484 PolarHBondContact O-N 2.97Å |
| 481 | Y | 91.1 | Very high | 89.8 | Confident | 18 Ų | 18 | 32 Ų | 32 | 7% | 0.071 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -77 | -39.3 | 175.7 | -56 | -34.9 | 0 | 0 | 0 | 112.4 | H412 Q415 Y446 V474 I475 V478 V479 | H412-Y481 VanDerWaalsContact CB-OH 3.23Å; H412-Y481 WeakPolarHBondContact CB-OH 3.42Å; H412-Y481 AromaticContact ND1-CZ 4Å; H412-Y481 PolarHBondContact ND1-OH 3.44Å; H412-Y481 VanDerWaalsContact ND1-OH 3.1Å; Q415-Y481 HydrophobicContact CB-CD1 4.23Å; Q415-Y481 HydrophobicContact CB-CE1 4.16Å; Q415-Y481 HydrophobicContact CG-CD1 3.97Å; Q415-Y481 HydrophobicContact CG-CE1 4.13Å; Y446-Y481 PolarHBondContact OH-O 2.63Å; V474-Y481 HydrophobicContact CG1-CE2 4.22Å; I475-Y481 WeakPolarHBondContact O-CB 3.43Å; V478-Y481 HydrophobicContact CB-CD2 3.57Å; V478-Y481 HydrophobicContact CB-CE2 3.94Å; V478-Y481 HydrophobicContact CB-CG 4.34Å; V478-Y481 HydrophobicContact CG1-CD2 3.64Å; V478-Y481 HydrophobicContact CG1-CE2 3.76Å; V478-Y481 HydrophobicContact CG1-CG 4.17Å; V478-Y481 HydrophobicContact CG2-CD2 4.2Å; V478-Y481 HydrophobicContact CG2-CE2 4.18Å; V479-Y481 VanDerWaalsContact C-N 3.34Å; V479-Y481 PolarHBondContact O-N 3.48Å |
| 482 | R | 88.3 | Confident | 89.8 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.1 | -42.5 | -178.8 | 175 | 174.1 | 61.6 | -116.5 | 8.9 | 113.1 | F476 R477 V478 V479 Y512 Q530 I723 | F476-R482 PolarHBondContact O-NH1 3.41Å; R477-R482 VanDerWaalsContact C-NH1 3.31Å; R477-R482 PolarHBondContact O-NH1 2.83Å; V478-R482 WeakPolarHBondContact O-CB 3.29Å; V478-R482 PolarHBondContact O-N 3.49Å; V478-R482 VanDerWaalsContact O-N 3.16Å; V479-R482 PolarHBondContact O-N 2.97Å; R482-Y512 WeakPolarHBondContact CA-OH 3.42Å; R482-Q530 PolarHBondContact NH2-O 2.77Å; R482-I723 HydrophobicContact CG-CD1 3.95Å |
| 483 | E | 88.2 | Confident | 89.6 | Confident | 44 Ų | 44 | 34.8 Ų | 34.8 | 21% | 0.206 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -86.8 | -12.1 | -177.2 | -63.3 | -61.7 | 143.9 | 0 | 0 | 113.4 | V479 L485 I486 S487 R726 | V479-E483 HydrophobicContact CG1-CG 4.04Å; V479-E483 WeakPolarHBondContact O-CB 3.47Å; V479-E483 PolarHBondContact O-N 3.24Å; E483-L485 PolarHBondContact O-N 3.24Å; E483-I486 PolarHBondContact O-N 3.25Å; E483-I486 VanDerWaalsContact O-N 3.14Å; E483-S487 WeakPolarHBondContact O-CB 3.31Å; E483-S487 PolarHBondContact O-N 2.94Å; E483-R726 IonicContact OE1-CZ 3.54Å; E483-R726 IonicContact OE1-NH1 2.9Å; E483-R726 PolarHBondContact OE1-NH1 3.02Å |
| 484 | L | 92.9 | Very high | 89.4 | Confident | 10 Ų | 10 | 35.1 Ų | 35.1 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -51.3 | -53 | -174.5 | -175.6 | 64.4 | 0 | 0 | 0 | 113.2 | Q415 L418 Y446 E480 I486 S487 L488 | Q415-L484 HydrophobicContact CB-CD2 4.15Å; Q415-L484 HydrophobicContact CG-CD1 4.17Å; Q415-L484 HydrophobicContact CG-CD2 3.64Å; Q415-L484 HydrophobicContact CG-CG 4.47Å; L418-L484 HydrophobicContact CD2-CD2 4.19Å; Y446-L484 HydrophobicContact CD1-CD2 4.14Å; Y446-L484 HydrophobicContact CD2-CD2 4.45Å; Y446-L484 HydrophobicContact CE1-CD2 3.71Å; Y446-L484 HydrophobicContact CE2-CD2 4.06Å; Y446-L484 HydrophobicContact CG-CD2 4.48Å; E480-L484 WeakPolarHBondContact O-CB 3.03Å; E480-L484 PolarHBondContact O-N 2.97Å; L484-I486 VanDerWaalsContact C-N 3.32Å; L484-I486 PolarHBondContact O-N 3.32Å; L484-S487 PolarHBondContact O-N 3.43Å; L484-L488 HydrophobicContact CD1-CD1 4.18Å; L484-L488 HydrophobicContact CD1-CG 4.39Å; L484-L488 HydrophobicContact CG-CD1 4.03Å; L484-L488 WeakPolarHBondContact O-CB 3.36Å; L484-L488 VanDerWaalsContact O-CG 3.25Å; L484-L488 WeakPolarHBondContact O-CG 3.27Å; L484-L488 PolarHBondContact O-N 2.94Å |
| 485 | L | 93.4 | Very high | 89 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.7 | -29.7 | -176.2 | -59 | -178.2 | 0 | 0 | 0 | 112.6 | L443 Y446 E483 L489 L505 Y512 | L443-L485 HydrophobicContact CD1-CD2 4.17Å; Y446-L485 HydrophobicContact CD1-CD2 4.21Å; Y446-L485 HydrophobicContact CE1-CD2 4.12Å; Y446-L485 HydrophobicContact CE1-CG 4.38Å; E483-L485 PolarHBondContact O-N 3.24Å; L485-L489 WeakPolarHBondContact O-CB 3.28Å; L485-L489 PolarHBondContact O-N 3.2Å; L485-L505 HydrophobicContact CB-CD1 4.4Å; L485-L505 HydrophobicContact CD2-CD1 3.88Å; L485-Y512 HydrophobicContact CD1-CD1 4.27Å; L485-Y512 HydrophobicContact CD1-CD2 4.25Å; L485-Y512 HydrophobicContact CD1-CG 3.83Å |
| 486 | I | 90.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.3 | -47.9 | 173.6 | -62.6 | 167.1 | 0 | 0 | 0 | 109.6 | E483 L484 L489 K490 I723 R726 Y727 | E483-I486 PolarHBondContact O-N 3.25Å; E483-I486 VanDerWaalsContact O-N 3.14Å; L484-I486 VanDerWaalsContact C-N 3.32Å; L484-I486 PolarHBondContact O-N 3.32Å; I486-L489 PolarHBondContact O-N 3.2Å; I486-K490 HydrophobicContact CG2-CD 4.05Å; I486-K490 HydrophobicContact CG2-CG 4.49Å; I486-K490 WeakPolarHBondContact O-CG 3.48Å; I486-K490 PolarHBondContact O-N 3.36Å; I486-I723 HydrophobicContact CD1-CG2 4.4Å; I486-R726 HydrophobicContact CD1-CB 3.93Å; I486-Y727 HydrophobicContact CB-CE1 4.36Å; I486-Y727 HydrophobicContact CD1-CD2 4.25Å; I486-Y727 HydrophobicContact CD1-CE2 3.85Å; I486-Y727 HydrophobicContact CG1-CD1 4.08Å; I486-Y727 HydrophobicContact CG1-CD2 4.01Å; I486-Y727 HydrophobicContact CG1-CE1 3.58Å; I486-Y727 HydrophobicContact CG1-CE2 3.49Å; I486-Y727 VanDerWaalsContact CG1-CE2 3.49Å; I486-Y727 HydrophobicContact CG1-CG 4.28Å |
| 487 | S | 90.8 | Very high | 88.8 | Confident | 55 Ų | 55 | 37 Ų | 37 | 39% | 0.385 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.9 | -50.8 | 179 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | E483 L484 L489 K490 N491 | E483-S487 WeakPolarHBondContact O-CB 3.31Å; E483-S487 PolarHBondContact O-N 2.94Å; L484-S487 PolarHBondContact O-N 3.43Å; S487-L489 PolarHBondContact O-N 3.19Å; S487-K490 PolarHBondContact O-N 3.46Å; S487-N491 WeakPolarHBondContact O-CB 3.43Å; S487-N491 PolarHBondContact O-N 3.2Å |
| 488 | L | 93.5 | Very high | 89 | Confident | 11 Ų | 11 | 31.4 Ų | 31.4 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.1 | -31.3 | 176.7 | -69.6 | 174.7 | 0 | 0 | 0 | 113.3 | L418 V422 L443 L484 Y492 F501 L505 | L418-L488 HydrophobicContact CD1-CD1 4.39Å; L418-L488 HydrophobicContact CD2-CD1 3.67Å; L418-L488 HydrophobicContact CG-CD1 4.04Å; V422-L488 HydrophobicContact CB-CD2 4.39Å; V422-L488 HydrophobicContact CG1-CD2 4.34Å; V422-L488 HydrophobicContact CG2-CD2 3.81Å; L443-L488 HydrophobicContact CD1-CD1 4.43Å; L484-L488 HydrophobicContact CD1-CD1 4.18Å; L484-L488 HydrophobicContact CD1-CG 4.39Å; L484-L488 HydrophobicContact CG-CD1 4.03Å; L484-L488 WeakPolarHBondContact O-CB 3.36Å; L484-L488 VanDerWaalsContact O-CG 3.25Å; L484-L488 WeakPolarHBondContact O-CG 3.27Å; L484-L488 PolarHBondContact O-N 2.94Å; L488-Y492 WeakPolarHBondContact O-CB 3.25Å; L488-Y492 PolarHBondContact O-N 3.37Å; L488-Y492 VanDerWaalsContact O-N 3.16Å; L488-F501 HydrophobicContact CD2-CZ 4.37Å; L488-L505 HydrophobicContact CB-CD1 4.13Å; L488-L505 HydrophobicContact CB-CD2 4.1Å; L488-L505 HydrophobicContact CD1-CD1 4.47Å |
| 489 | L | 92.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -81.6 | -34.8 | 179.1 | -173.9 | 63.3 | 0 | 0 | 0 | 112.8 | L485 I486 S487 L502 L505 Y727 W735 Y736 | L485-L489 WeakPolarHBondContact O-CB 3.28Å; L485-L489 PolarHBondContact O-N 3.2Å; I486-L489 PolarHBondContact O-N 3.2Å; S487-L489 PolarHBondContact O-N 3.19Å; L489-L502 HydrophobicContact CD1-CD1 3.79Å; L489-L505 HydrophobicContact CB-CD2 3.97Å; L489-L505 HydrophobicContact CD1-CD2 3.98Å; L489-Y727 HydrophobicContact CD2-CD1 3.95Å; L489-Y727 HydrophobicContact CD2-CE1 4.11Å; L489-W735 HydrophobicContact CD1-CB 4.33Å; L489-W735 VanDerWaalsContact O-CD1 3.29Å; L489-Y736 HydrophobicContact CD2-CE2 3.75Å |
| 490 | K | 89.3 | Confident | 89.3 | Confident | 72 Ų | 72 | 30.4 Ų | 30.4 | 31% | 0.313 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -66 | -44 | 171.6 | -73.4 | 174.7 | 178.3 | 175 | 0 | 110.8 | I486 S487 T731 | I486-K490 HydrophobicContact CG2-CD 4.05Å; I486-K490 HydrophobicContact CG2-CG 4.49Å; I486-K490 WeakPolarHBondContact O-CG 3.48Å; I486-K490 PolarHBondContact O-N 3.36Å; S487-K490 PolarHBondContact O-N 3.46Å; K490-T731 WeakPolarHBondContact O-CG2 3.29Å |
| 491 | N | 88.5 | Confident | 89.6 | Confident | 101 Ų | 101 | 25.9 Ų | 25.9 | 54% | 0.54 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -90.1 | 3.5 | -174.1 | -60 | -8.6 | 0 | 0 | 0 | 113.7 | S487 N493 | S487-N491 WeakPolarHBondContact O-CB 3.43Å; S487-N491 PolarHBondContact O-N 3.2Å; N491-N493 PolarHBondContact O-N 2.87Å; N491-N493 VanDerWaalsContact O-N 3.11Å |
| 492 | Y | 91.1 | Very high | 89.8 | Confident | 5 Ų | 5 | 25 Ų | 25 | 2% | 0.02 | 14% | 0.135 | C | C | . | . | trans | -61.3 | 117.9 | 179.5 | 172.9 | -93.3 | 0 | 0 | 0 | 111.5 | L488 P494 L497 S498 F501 L502 W735 | L488-Y492 WeakPolarHBondContact O-CB 3.25Å; L488-Y492 PolarHBondContact O-N 3.37Å; L488-Y492 VanDerWaalsContact O-N 3.16Å; Y492-P494 HydrophobicContact CE1-CB 4.01Å; Y492-P494 HydrophobicContact CE1-CG 4.43Å; Y492-L497 HydrophobicContact CD2-CB 3.79Å; Y492-L497 HydrophobicContact CD2-CD1 4Å; Y492-L497 HydrophobicContact CE2-CB 3.58Å; Y492-S498 PolarHBondContact OH-O 3.37Å; Y492-F501 AromaticContact CD2-CD1 3.92Å; Y492-F501 HydrophobicContact CD2-CD1 3.92Å; Y492-F501 HydrophobicContact CD2-CE1 4.36Å; Y492-F501 HydrophobicContact CE2-CD1 4.16Å; Y492-L502 HydrophobicContact CD1-CD1 4.15Å; Y492-L502 HydrophobicContact CD1-CD2 4.28Å; Y492-L502 HydrophobicContact CD2-CB 4.22Å; Y492-L502 HydrophobicContact CD2-CD1 4.26Å; Y492-L502 HydrophobicContact CE1-CB 4.31Å; Y492-L502 HydrophobicContact CE1-CD1 4.42Å; Y492-L502 HydrophobicContact CE1-CD2 3.84Å; Y492-L502 HydrophobicContact CE1-CG 4.41Å; Y492-L502 HydrophobicContact CE2-CB 3.71Å; Y492-L502 HydrophobicContact CG-CD1 4.06Å; Y492-W735 AromaticContact CD1-CD2 3.61Å; Y492-W735 HydrophobicContact CD1-CD2 3.61Å; Y492-W735 AromaticContact CD1-CE2 3.63Å; Y492-W735 AromaticContact CD1-CE3 3.84Å; Y492-W735 HydrophobicContact CD1-CE3 3.84Å; Y492-W735 HydrophobicContact CD1-CG 4.12Å; Y492-W735 HydrophobicContact CD1-CH2 4.21Å; Y492-W735 AromaticContact CD1-CZ2 3.95Å; Y492-W735 HydrophobicContact CD1-CZ2 3.95Å; Y492-W735 HydrophobicContact CD1-CZ3 4.14Å; Y492-W735 HydrophobicContact CE1-CD2 4.12Å; Y492-W735 AromaticContact CE1-CE3 3.86Å; Y492-W735 HydrophobicContact CE1-CE3 3.86Å; Y492-W735 HydrophobicContact CE1-CH2 4.37Å; Y492-W735 AromaticContact CE1-CZ3 4Å; Y492-W735 HydrophobicContact CE1-CZ3 4Å; Y492-W735 WeakPolarHBondContact O-CZ2 3.16Å | ||
| 493 | N | 88.1 | Confident | 90 | Very high | 61 Ų | 61 | 27.8 Ų | 27.8 | 33% | 0.326 | 15% | 0.147 | S | C | . | . | trans | -118.4 | 115.7 | 177 | -173 | -18.8 | 0 | 0 | 0 | 111.3 | N491 A495 H496 L497 | N491-N493 PolarHBondContact O-N 2.87Å; N491-N493 VanDerWaalsContact O-N 3.11Å; N493-A495 PolarHBondContact O-N 2.76Å; N493-A495 WeakPolarHBondContact OD1-CB 3.39Å; N493-A495 PolarHBondContact OD1-N 2.9Å; N493-H496 PolarHBondContact ND2-CD2 3.06Å; N493-H496 PolarHBondContact O-N 2.76Å; N493-L497 PolarHBondContact O-N 2.87Å | ||
| 494 | P | 85.9 | Confident | 90.2 | Very high | 18 Ų | 18 | 27.4 Ų | 27.4 | 12% | 0.117 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 1.9 | -177.6 | 30.8 | -37.5 | 0 | 0 | 0 | 114.7 | Q325 Y492 W735 | Q325-P494 WeakPolarHBondContact CA-O 3.3Å; Y492-P494 HydrophobicContact CE1-CB 4.01Å; Y492-P494 HydrophobicContact CE1-CG 4.43Å; P494-W735 VanDerWaalsContact CD-CH2 3.44Å; P494-W735 HydrophobicContact CG-CH2 3.79Å; P494-W735 HydrophobicContact CG-CZ3 3.99Å |
| 495 | A | 82.8 | Confident | 90.4 | Very high | 35 Ų | 35 | 26.9 Ų | 26.9 | 29% | 0.289 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -25.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N493 | N493-A495 PolarHBondContact O-N 2.76Å; N493-A495 WeakPolarHBondContact OD1-CB 3.39Å; N493-A495 PolarHBondContact OD1-N 2.9Å |
| 496 | H | 86.4 | Confident | 90.5 | Very high | 33 Ų | 33 | 26.9 Ų | 26.9 | 15% | 0.153 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -41.4 | -175.1 | -61.3 | -96 | 0 | 0 | 0 | 111.7 | V326 T425 I432 S436 N493 | V326-H496 WeakPolarHBondContact CG2-O 3.27Å; T425-H496 PolarHBondContact O-ND1 3.36Å; I432-H496 HydrophobicContact CG2-CB 4.32Å; S436-H496 VanDerWaalsContact CB-O 3.23Å; S436-H496 WeakPolarHBondContact CB-O 3.34Å; S436-H496 PolarHBondContact OG-O 3.42Å; N493-H496 PolarHBondContact ND2-CD2 3.06Å; N493-H496 PolarHBondContact O-N 2.76Å |
| 497 | L | 88.9 | Confident | 90.6 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -104.3 | 147.8 | -177.8 | -62.6 | 174.3 | 0 | 0 | 0 | 111.7 | V422 T425 S436 A439 Y492 N493 F501 | V422-L497 HydrophobicContact CG1-CD1 4.44Å; V422-L497 HydrophobicContact CG2-CD2 4.47Å; T425-L497 HydrophobicContact CG2-CD2 4.17Å; S436-L497 WeakPolarHBondContact OG-CA 3.35Å; A439-L497 HydrophobicContact CB-CD2 4.25Å; Y492-L497 HydrophobicContact CD2-CB 3.79Å; Y492-L497 HydrophobicContact CD2-CD1 4Å; Y492-L497 HydrophobicContact CE2-CB 3.58Å; N493-L497 PolarHBondContact O-N 2.87Å; L497-F501 HydrophobicContact CB-CD1 4.3Å; L497-F501 HydrophobicContact CB-CG 4.45Å; L497-F501 HydrophobicContact CD1-CD1 4.05Å; L497-F501 HydrophobicContact CD1-CE1 3.77Å; L497-F501 HydrophobicContact CD1-CZ 4.13Å; L497-F501 HydrophobicContact CD2-CD2 4.34Å; L497-F501 HydrophobicContact CD2-CE2 4.41Å; L497-F501 HydrophobicContact CD2-CG 4.5Å |
| 498 | S | 88.8 | Confident | 90.8 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.014 | 14% | 0.139 | C | C | . | . | trans | -84.7 | 158.1 | -173.2 | 77.7 | 0 | 0 | 0 | 0 | 112.7 | S436 Y492 S500 F501 L502 | S436-S498 PolarHBondContact OG-N 3.36Å; Y492-S498 PolarHBondContact OH-O 3.37Å; S498-S500 PolarHBondContact O-N 3.25Å; S498-S500 PolarHBondContact OG-OG 2.61Å; S498-F501 WeakPolarHBondContact O-CB 3.29Å; S498-F501 PolarHBondContact O-N 3.4Å; S498-F501 VanDerWaalsContact O-N 3.17Å; S498-F501 PolarHBondContact OG-N 3.43Å; S498-L502 PolarHBondContact O-N 3.01Å | ||
| 499 | K | 89.3 | Confident | 90.8 | Very high | 58 Ų | 58 | 26.4 Ų | 26.4 | 25% | 0.252 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -60.5 | -27.5 | 176 | -174.4 | 167 | -164.5 | -171.3 | 0 | 112.8 | K503 W738 L739 D742 | K499-K503 WeakPolarHBondContact O-CG 3.48Å; K499-K503 PolarHBondContact O-N 3.33Å; K499-W738 HydrophobicContact CB-CH2 4.03Å; K499-W738 HydrophobicContact CB-CZ3 4.29Å; K499-W738 HydrophobicContact CD-CH2 3.61Å; K499-W738 HydrophobicContact CD-CZ2 4.47Å; K499-W738 HydrophobicContact CD-CZ3 3.89Å; K499-W738 HydrophobicContact CG-CH2 3.72Å; K499-W738 HydrophobicContact CG-CZ3 3.69Å; K499-L739 HydrophobicContact CD-CD2 4.38Å; K499-L739 HydrophobicContact CG-CD2 4.07Å; K499-D742 IonicContact NZ-OD2 2.7Å; K499-D742 PolarHBondContact NZ-OD2 3.11Å |
| 500 | S | 88.6 | Confident | 91 | Very high | 9 Ų | 9 | 27.1 Ų | 27.1 | 6% | 0.063 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -76.3 | -36.3 | 177.2 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | A328 Q440 S498 L502 K503 D504 | A328-S500 WeakPolarHBondContact CB-OG 3.49Å; Q440-S500 VanDerWaalsContact CD-OG 3.3Å; Q440-S500 VanDerWaalsContact NE2-CB 3.26Å; Q440-S500 PolarHBondContact NE2-OG 3.04Å; Q440-S500 PolarHBondContact OE1-OG 2.63Å; Q440-S500 VanDerWaalsContact OE1-OG 3.11Å; S498-S500 PolarHBondContact O-N 3.25Å; S498-S500 PolarHBondContact OG-OG 2.61Å; S500-L502 VanDerWaalsContact C-N 3.26Å; S500-L502 PolarHBondContact O-N 3.32Å; S500-K503 WeakPolarHBondContact O-CB 3.47Å; S500-K503 PolarHBondContact O-N 3.14Å; S500-D504 PolarHBondContact O-N 3.12Å |
| 501 | F | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -51.9 | -46.7 | 170.3 | -178.9 | -82 | 0 | 0 | 0 | 111.3 | L418 V422 A439 Q440 L443 L488 Y492 L497 S498 K503 D504 L505 | L418-F501 HydrophobicContact CD1-CE2 4.13Å; L418-F501 HydrophobicContact CD1-CZ 4.44Å; V422-F501 HydrophobicContact CG2-CZ 4.3Å; A439-F501 HydrophobicContact CB-CD2 4.34Å; A439-F501 HydrophobicContact CB-CE2 3.96Å; Q440-F501 HydrophobicContact CB-CD2 4.26Å; Q440-F501 HydrophobicContact CG-CB 4.49Å; L443-F501 HydrophobicContact CB-CD2 4.44Å; L443-F501 HydrophobicContact CB-CE2 3.99Å; L443-F501 HydrophobicContact CD2-CD1 4.15Å; L443-F501 HydrophobicContact CD2-CD2 3.78Å; L443-F501 HydrophobicContact CD2-CE1 4.05Å; L443-F501 HydrophobicContact CD2-CE2 3.67Å; L443-F501 HydrophobicContact CD2-CG 4.02Å; L443-F501 HydrophobicContact CD2-CZ 3.8Å; L443-F501 WeakPolarHBondContact CD2-O 3.49Å; L443-F501 HydrophobicContact CG-CE2 4.44Å; L488-F501 HydrophobicContact CD2-CZ 4.37Å; Y492-F501 AromaticContact CD2-CD1 3.92Å; Y492-F501 HydrophobicContact CD2-CD1 3.92Å; Y492-F501 HydrophobicContact CD2-CE1 4.36Å; Y492-F501 HydrophobicContact CE2-CD1 4.16Å; L497-F501 HydrophobicContact CB-CD1 4.3Å; L497-F501 HydrophobicContact CB-CG 4.45Å; L497-F501 HydrophobicContact CD1-CD1 4.05Å; L497-F501 HydrophobicContact CD1-CE1 3.77Å; L497-F501 HydrophobicContact CD1-CZ 4.13Å; L497-F501 HydrophobicContact CD2-CD2 4.34Å; L497-F501 HydrophobicContact CD2-CE2 4.41Å; L497-F501 HydrophobicContact CD2-CG 4.5Å; S498-F501 WeakPolarHBondContact O-CB 3.29Å; S498-F501 PolarHBondContact O-N 3.4Å; S498-F501 VanDerWaalsContact O-N 3.17Å; S498-F501 PolarHBondContact OG-N 3.43Å; F501-K503 VanDerWaalsContact C-N 3.33Å; F501-K503 PolarHBondContact O-N 2.99Å; F501-D504 PolarHBondContact O-N 2.93Å; F501-L505 HydrophobicContact CE1-CD2 4.15Å; F501-L505 VanDerWaalsContact O-CB 3.31Å; F501-L505 WeakPolarHBondContact O-CB 3.4Å; F501-L505 PolarHBondContact O-N 2.97Å |
| 502 | L | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.6 | -32.6 | 178.1 | -174.5 | 64.7 | 0 | 0 | 0 | 113.6 | L489 Y492 S498 S500 L505 I506 W735 W738 L739 | L489-L502 HydrophobicContact CD1-CD1 3.79Å; Y492-L502 HydrophobicContact CD1-CD1 4.15Å; Y492-L502 HydrophobicContact CD1-CD2 4.28Å; Y492-L502 HydrophobicContact CD2-CB 4.22Å; Y492-L502 HydrophobicContact CD2-CD1 4.26Å; Y492-L502 HydrophobicContact CE1-CB 4.31Å; Y492-L502 HydrophobicContact CE1-CD1 4.42Å; Y492-L502 HydrophobicContact CE1-CD2 3.84Å; Y492-L502 HydrophobicContact CE1-CG 4.41Å; Y492-L502 HydrophobicContact CE2-CB 3.71Å; Y492-L502 HydrophobicContact CG-CD1 4.06Å; S498-L502 PolarHBondContact O-N 3.01Å; S500-L502 VanDerWaalsContact C-N 3.26Å; S500-L502 PolarHBondContact O-N 3.32Å; L502-L505 HydrophobicContact CD1-CD2 4.48Å; L502-I506 HydrophobicContact CG-CD1 4.47Å; L502-I506 WeakPolarHBondContact O-CG1 3.41Å; L502-I506 PolarHBondContact O-N 3.35Å; L502-I506 VanDerWaalsContact O-N 3.11Å; L502-W735 HydrophobicContact CD1-CB 3.94Å; L502-W735 HydrophobicContact CD1-CG 4.39Å; L502-W735 HydrophobicContact CD2-CB 3.94Å; L502-W735 HydrophobicContact CD2-CE3 4.46Å; L502-W735 HydrophobicContact CD2-CG 4.49Å; L502-W738 HydrophobicContact CD2-CE3 3.77Å; L502-W738 HydrophobicContact CD2-CZ3 3.92Å; L502-L739 HydrophobicContact CB-CD1 4.42Å; L502-L739 HydrophobicContact CD2-CD1 3.7Å; L502-L739 HydrophobicContact CD2-CD2 4.34Å; L502-L739 HydrophobicContact CD2-CG 3.77Å; L502-L739 HydrophobicContact CG-CD1 3.69Å; L502-L739 HydrophobicContact CG-CG 4.32Å |
| 503 | K | 93.3 | Very high | 91.5 | Very high | 61 Ų | 61 | 20 Ų | 20 | 27% | 0.265 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -67.2 | -49.4 | 174.5 | -66.9 | -176 | 168.5 | -170.6 | 0 | 110.8 | K499 S500 F501 L505 I506 E507 L739 L750 | K499-K503 WeakPolarHBondContact O-CG 3.48Å; K499-K503 PolarHBondContact O-N 3.33Å; S500-K503 WeakPolarHBondContact O-CB 3.47Å; S500-K503 PolarHBondContact O-N 3.14Å; F501-K503 VanDerWaalsContact C-N 3.33Å; F501-K503 PolarHBondContact O-N 2.99Å; K503-L505 PolarHBondContact O-N 3.36Å; K503-I506 PolarHBondContact O-N 3.47Å; K503-E507 PolarHBondContact O-N 3.05Å; K503-L739 HydrophobicContact CG-CD1 4.42Å; K503-L739 HydrophobicContact CG-CD2 4.17Å; K503-L750 HydrophobicContact CB-CD1 4.38Å; K503-L750 HydrophobicContact CB-CD2 4.18Å; K503-L750 HydrophobicContact CD-CD2 3.72Å; K503-L750 HydrophobicContact CG-CD1 4.49Å; K503-L750 HydrophobicContact CG-CD2 3.58Å |
| 504 | D | 93.2 | Very high | 91.6 | Very high | 36 Ų | 36 | 20 Ų | 20 | 19% | 0.193 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.3 | -37.2 | 178.3 | -63.7 | -28.1 | 0 | 0 | 0 | 110.8 | Q440 L443 Q444 S500 F501 G508 | Q440-D504 WeakPolarHBondContact CG-OD2 3.13Å; Q440-D504 PolarHBondContact NE2-OD2 3.32Å; L443-D504 HydrophobicContact CD2-CB 4.06Å; Q444-D504 HydrophobicContact CG-CB 4.31Å; Q444-D504 PolarHBondContact NE2-OD2 2.8Å; S500-D504 PolarHBondContact O-N 3.12Å; F501-D504 PolarHBondContact O-N 2.93Å; D504-G508 PolarHBondContact O-N 2.86Å |
| 505 | L | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.2 | -46.4 | 176.5 | -177.3 | 58 | 0 | 0 | 0 | 111.8 | L443 L485 L488 L489 F501 L502 K503 G508 T509 | L443-L505 HydrophobicContact CD1-CD1 3.99Å; L443-L505 HydrophobicContact CD2-CB 3.84Å; L443-L505 HydrophobicContact CD2-CD1 4.49Å; L485-L505 HydrophobicContact CB-CD1 4.4Å; L485-L505 HydrophobicContact CD2-CD1 3.88Å; L488-L505 HydrophobicContact CB-CD1 4.13Å; L488-L505 HydrophobicContact CB-CD2 4.1Å; L488-L505 HydrophobicContact CD1-CD1 4.47Å; L489-L505 HydrophobicContact CB-CD2 3.97Å; L489-L505 HydrophobicContact CD1-CD2 3.98Å; F501-L505 HydrophobicContact CE1-CD2 4.15Å; F501-L505 VanDerWaalsContact O-CB 3.31Å; F501-L505 WeakPolarHBondContact O-CB 3.4Å; F501-L505 PolarHBondContact O-N 2.97Å; L502-L505 HydrophobicContact CD1-CD2 4.48Å; K503-L505 PolarHBondContact O-N 3.36Å; L505-G508 PolarHBondContact O-N 3.08Å; L505-T509 VanDerWaalsContact O-CB 3.31Å; L505-T509 WeakPolarHBondContact O-CB 3.38Å; L505-T509 PolarHBondContact O-N 3Å; L505-T509 PolarHBondContact O-OG1 2.65Å |
| 506 | I | 95.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -69.3 | -42.4 | 179.7 | -71.3 | 178.3 | 0 | 0 | 0 | 111.9 | L502 K503 G508 T509 H510 Y736 L739 L750 C753 I754 | L502-I506 HydrophobicContact CG-CD1 4.47Å; L502-I506 WeakPolarHBondContact O-CG1 3.41Å; L502-I506 PolarHBondContact O-N 3.35Å; L502-I506 VanDerWaalsContact O-N 3.11Å; K503-I506 PolarHBondContact O-N 3.47Å; I506-G508 VanDerWaalsContact C-N 3.29Å; I506-G508 PolarHBondContact O-N 2.74Å; I506-T509 PolarHBondContact O-N 3.34Å; I506-H510 WeakPolarHBondContact O-CB 3.44Å; I506-H510 PolarHBondContact O-N 3.33Å; I506-Y736 HydrophobicContact CB-CE1 4.45Å; I506-Y736 HydrophobicContact CD1-CD1 3.69Å; I506-Y736 HydrophobicContact CD1-CE1 3.77Å; I506-Y736 HydrophobicContact CD1-CG 4.18Å; I506-Y736 HydrophobicContact CG1-CD1 4.32Å; I506-Y736 HydrophobicContact CG1-CE1 3.87Å; I506-Y736 HydrophobicContact CG2-CD1 4.31Å; I506-Y736 HydrophobicContact CG2-CE1 3.82Å; I506-L739 HydrophobicContact CD1-CD1 3.54Å; I506-L750 HydrophobicContact CB-CD1 4.36Å; I506-L750 HydrophobicContact CG2-CD1 4.16Å; I506-C753 HydrophobicContact CG2-CB 4.12Å; I506-I754 HydrophobicContact CD1-CG1 4.3Å; I506-I754 HydrophobicContact CG2-CG1 3.93Å |
| 507 | E | 94.3 | Very high | 92.2 | Very high | 53 Ų | 53 | 17 Ų | 17 | 25% | 0.248 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.4 | -34 | 175.9 | -68.5 | -168.7 | -174 | 0 | 0 | 111.9 | K503 F511 S747 L750 | K503-E507 PolarHBondContact O-N 3.05Å; E507-F511 PolarHBondContact O-N 3.38Å; E507-S747 PolarHBondContact OE1-OG 3.01Å; E507-L750 HydrophobicContact CG-CD1 4.15Å; E507-L750 WeakPolarHBondContact OE1-CB 3.3Å; E507-L750 PolarHBondContact OE1-N 3.38Å |
| 508 | G | 94.2 | Very high | 92.1 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 3% | 0.031 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65 | -51.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | C447 D504 L505 I506 H510 F511 Y512 | C447-G508 VanDerWaalsContact SG-CA 3.55Å; D504-G508 PolarHBondContact O-N 2.86Å; L505-G508 PolarHBondContact O-N 3.08Å; I506-G508 VanDerWaalsContact C-N 3.29Å; I506-G508 PolarHBondContact O-N 2.74Å; G508-H510 PolarHBondContact O-N 2.82Å; G508-F511 PolarHBondContact O-N 2.98Å; G508-Y512 WeakPolarHBondContact O-CB 3.34Å; G508-Y512 PolarHBondContact O-N 2.99Å |
| 509 | T | 94.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57 | -46.8 | 176.7 | -69.4 | 0 | 0 | 0 | 0 | 112.1 | L505 I506 F511 Y512 L513 Y727 | L505-T509 VanDerWaalsContact O-CB 3.31Å; L505-T509 WeakPolarHBondContact O-CB 3.38Å; L505-T509 PolarHBondContact O-N 3Å; L505-T509 PolarHBondContact O-OG1 2.65Å; I506-T509 PolarHBondContact O-N 3.34Å; T509-F511 VanDerWaalsContact C-N 3.34Å; T509-F511 PolarHBondContact O-N 2.83Å; T509-Y512 PolarHBondContact O-N 3.16Å; T509-L513 HydrophobicContact CG2-CD1 4.11Å; T509-L513 WeakPolarHBondContact O-CG 2.98Å; T509-L513 PolarHBondContact O-N 3.21Å; T509-Y727 HydrophobicContact CG2-CD1 4.34Å; T509-Y727 HydrophobicContact CG2-CE1 3.52Å; T509-Y727 HydrophobicContact CG2-CE2 4.36Å; T509-Y727 WeakPolarHBondContact CG2-OH 3.29Å |
| 510 | H | 94.7 | Very high | 91.6 | Very high | 15 Ų | 15 | 18.3 Ų | 18.3 | 7% | 0.069 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.8 | -45.6 | 177.7 | 175.1 | 81.8 | 0 | 0 | 0 | 111.3 | I506 G508 L513 E514 R749 H752 C753 V756 | I506-H510 WeakPolarHBondContact O-CB 3.44Å; I506-H510 PolarHBondContact O-N 3.33Å; G508-H510 PolarHBondContact O-N 2.82Å; H510-L513 PolarHBondContact O-N 3.05Å; H510-E514 IonicContact CD2-OE1 3.42Å; H510-E514 IonicContact CD2-OE2 3.52Å; H510-E514 PolarHBondContact CD2-OE2 2.75Å; H510-E514 IonicContact CE1-OE1 2.6Å; H510-E514 WeakPolarHBondContact NE2-CG 3.31Å; H510-E514 CovalentContact NE2-OE1 1.79Å; H510-E514 IonicContact NE2-OE1 3.56Å; H510-E514 PolarHBondContact NE2-OE1 3.47Å; H510-E514 IonicContact NE2-OE2 2.72Å; H510-E514 PolarHBondContact NE2-OE2 2.92Å; H510-E514 WeakPolarHBondContact O-CG 3.44Å; H510-E514 PolarHBondContact O-N 2.79Å; H510-R749 PolarHBondContact CD2-NH2 3.13Å; H510-R749 PolarHBondContact NE2-NH1 2.92Å; H510-R749 PolarHBondContact NE2-NH2 2.95Å; H510-H752 AromaticContact CE1-NE2 3.95Å; H510-C753 HydrophobicContact CB-CB 3.82Å; H510-C753 VanDerWaalsContact CD2-SG 3.51Å; H510-V756 WeakPolarHBondContact CE1-CB 3.47Å; H510-V756 WeakPolarHBondContact CE1-CG1 3.4Å; H510-V756 WeakPolarHBondContact CE1-CG2 3.47Å |
| 511 | F | 93.6 | Very high | 91.4 | Very high | 25 Ų | 25 | 25.3 Ų | 25.3 | 11% | 0.11 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.1 | -39.5 | 176.6 | -175.5 | -92.3 | 0 | 0 | 0 | 113.2 | I450 K451 W454 E507 G508 T509 L513 E514 V515 | I450-F511 HydrophobicContact CG2-CD1 4.24Å; I450-F511 HydrophobicContact CG2-CE1 4.09Å; K451-F511 VanDerWaalsContact CA-CE1 3.42Å; K451-F511 HydrophobicContact CB-CD1 4.41Å; K451-F511 HydrophobicContact CB-CE1 3.93Å; K451-F511 HydrophobicContact CB-CZ 4.17Å; K451-F511 HydrophobicContact CG-CD1 3.42Å; K451-F511 VanDerWaalsContact CG-CD1 3.42Å; K451-F511 HydrophobicContact CG-CD2 4.21Å; K451-F511 HydrophobicContact CG-CE1 3.4Å; K451-F511 VanDerWaalsContact CG-CE1 3.4Å; K451-F511 HydrophobicContact CG-CE2 4.18Å; K451-F511 HydrophobicContact CG-CG 3.85Å; K451-F511 HydrophobicContact CG-CZ 3.79Å; W454-F511 HydrophobicContact CB-CE1 4.3Å; W454-F511 HydrophobicContact CB-CZ 3.97Å; W454-F511 AromaticContact CD1-CZ 3.63Å; W454-F511 AromaticContact CG-CZ 3.95Å; W454-F511 HydrophobicContact CG-CZ 3.95Å; E507-F511 PolarHBondContact O-N 3.38Å; G508-F511 PolarHBondContact O-N 2.98Å; T509-F511 VanDerWaalsContact C-N 3.34Å; T509-F511 PolarHBondContact O-N 2.83Å; F511-L513 VanDerWaalsContact C-N 3.32Å; F511-L513 PolarHBondContact O-N 3.35Å; F511-E514 PolarHBondContact O-N 2.81Å; F511-V515 HydrophobicContact CD1-CG2 4.09Å; F511-V515 HydrophobicContact CE1-CG2 3.47Å; F511-V515 VanDerWaalsContact CE1-CG2 3.47Å; F511-V515 HydrophobicContact CE2-CG2 4.3Å; F511-V515 HydrophobicContact CZ-CG2 3.61Å; F511-V515 WeakPolarHBondContact O-CG2 3.29Å; F511-V515 PolarHBondContact O-N 2.82Å |
| 512 | Y | 94.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.4 | -44.8 | 175.1 | 169.4 | -91.1 | 0 | 0 | 0 | 111.2 | I450 I475 F476 R482 L485 G508 T509 V515 L516 | I450-Y512 HydrophobicContact CD1-CD2 4.17Å; I475-Y512 HydrophobicContact CG2-CE2 4.26Å; F476-Y512 HydrophobicContact CD1-CD2 4.49Å; F476-Y512 AromaticContact CD1-CE2 3.64Å; F476-Y512 HydrophobicContact CD1-CE2 3.64Å; F476-Y512 AromaticContact CD1-CZ 3.85Å; F476-Y512 AromaticContact CE1-CD2 3.86Å; F476-Y512 HydrophobicContact CE1-CD2 3.86Å; F476-Y512 AromaticContact CE1-CE2 3.45Å; F476-Y512 HydrophobicContact CE1-CE2 3.45Å; F476-Y512 VanDerWaalsContact CE1-CE2 3.45Å; F476-Y512 AromaticContact CE1-CZ 3.95Å; R482-Y512 WeakPolarHBondContact CA-OH 3.42Å; L485-Y512 HydrophobicContact CD1-CD1 4.27Å; L485-Y512 HydrophobicContact CD1-CD2 4.25Å; L485-Y512 HydrophobicContact CD1-CG 3.83Å; G508-Y512 WeakPolarHBondContact O-CB 3.34Å; G508-Y512 PolarHBondContact O-N 2.99Å; T509-Y512 PolarHBondContact O-N 3.16Å; Y512-V515 PolarHBondContact O-N 3.22Å; Y512-L516 HydrophobicContact CE1-CD2 4.36Å; Y512-L516 VanDerWaalsContact O-CB 3.3Å; Y512-L516 WeakPolarHBondContact O-CB 3.28Å; Y512-L516 PolarHBondContact O-N 3.36Å |
| 513 | L | 92.2 | Very high | 89.9 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66 | -41.8 | 175.2 | -67.5 | 176 | 0 | 0 | 0 | 112 | T509 H510 F511 V515 L516 D517 I723 Y727 M757 | T509-L513 HydrophobicContact CG2-CD1 4.11Å; T509-L513 WeakPolarHBondContact O-CG 2.98Å; T509-L513 PolarHBondContact O-N 3.21Å; H510-L513 PolarHBondContact O-N 3.05Å; F511-L513 VanDerWaalsContact C-N 3.32Å; F511-L513 PolarHBondContact O-N 3.35Å; L513-V515 VanDerWaalsContact C-N 3.3Å; L513-V515 PolarHBondContact O-N 2.95Å; L513-L516 HydrophobicContact CD2-CD2 3.95Å; L513-L516 PolarHBondContact O-N 2.9Å; L513-D517 WeakPolarHBondContact O-CB 3.48Å; L513-D517 PolarHBondContact O-N 3.33Å; L513-I723 HydrophobicContact CD2-CG2 3.79Å; L513-Y727 HydrophobicContact CD1-CD2 4.4Å; L513-Y727 HydrophobicContact CD1-CE2 4.17Å; L513-Y727 HydrophobicContact CD2-CE2 4.03Å; L513-Y727 HydrophobicContact CG-CE2 4.44Å; L513-M757 HydrophobicContact CD1-CE 4.06Å; L513-M757 HydrophobicContact CD1-SD 3.78Å |
| 514 | E | 90.8 | Very high | 88.7 | Confident | 62 Ų | 62 | 36.5 Ų | 36.5 | 29% | 0.29 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -55.6 | -41.6 | 174.1 | -76 | 174.3 | 149.7 | 0 | 0 | 112.3 | H510 F511 F518 R749 | H510-E514 IonicContact CD2-OE1 3.42Å; H510-E514 IonicContact CD2-OE2 3.52Å; H510-E514 PolarHBondContact CD2-OE2 2.75Å; H510-E514 IonicContact CE1-OE1 2.6Å; H510-E514 WeakPolarHBondContact NE2-CG 3.31Å; H510-E514 CovalentContact NE2-OE1 1.79Å; H510-E514 IonicContact NE2-OE1 3.56Å; H510-E514 PolarHBondContact NE2-OE1 3.47Å; H510-E514 IonicContact NE2-OE2 2.72Å; H510-E514 PolarHBondContact NE2-OE2 2.92Å; H510-E514 WeakPolarHBondContact O-CG 3.44Å; H510-E514 PolarHBondContact O-N 2.79Å; F511-E514 PolarHBondContact O-N 2.81Å; E514-F518 PolarHBondContact O-N 3.37Å; E514-R749 IonicContact OE1-NH1 2.65Å; E514-R749 IonicContact OE1-NH2 2.85Å; E514-R749 IonicContact OE2-NH2 3.65Å; E514-R749 PolarHBondContact OE2-NH2 3.41Å |
| 515 | V | 90.9 | Very high | 87.5 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -75.4 | -43.2 | 178.1 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | W454 F476 F511 Y512 L513 D517 F518 F519 | W454-V515 HydrophobicContact CB-CG2 4.1Å; W454-V515 HydrophobicContact CD2-CG1 4.07Å; W454-V515 HydrophobicContact CD2-CG2 3.89Å; W454-V515 HydrophobicContact CE3-CG1 3.58Å; W454-V515 HydrophobicContact CE3-CG2 4.26Å; W454-V515 HydrophobicContact CG-CG2 3.82Å; W454-V515 HydrophobicContact CZ3-CG1 4.07Å; F476-V515 HydrophobicContact CE2-CG1 4.06Å; F476-V515 HydrophobicContact CZ-CB 4.13Å; F476-V515 HydrophobicContact CZ-CG1 3.67Å; F511-V515 HydrophobicContact CD1-CG2 4.09Å; F511-V515 HydrophobicContact CE1-CG2 3.47Å; F511-V515 VanDerWaalsContact CE1-CG2 3.47Å; F511-V515 HydrophobicContact CE2-CG2 4.3Å; F511-V515 HydrophobicContact CZ-CG2 3.61Å; F511-V515 WeakPolarHBondContact O-CG2 3.29Å; F511-V515 PolarHBondContact O-N 2.82Å; Y512-V515 PolarHBondContact O-N 3.22Å; L513-V515 VanDerWaalsContact C-N 3.3Å; L513-V515 PolarHBondContact O-N 2.95Å; V515-D517 VanDerWaalsContact C-N 3.33Å; V515-D517 PolarHBondContact O-N 2.95Å; V515-F518 WeakPolarHBondContact O-CB 3.1Å; V515-F518 PolarHBondContact O-N 2.81Å; V515-F518 VanDerWaalsContact O-N 3.11Å; V515-F519 HydrophobicContact CG1-CD2 3.83Å; V515-F519 HydrophobicContact CG1-CE2 3.82Å; V515-F519 WeakPolarHBondContact O-CD2 3.27Å; V515-F519 PolarHBondContact O-N 3.45Å |
| 516 | L | 89.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.8 | -45.9 | 175.1 | 172.8 | 75.5 | 0 | 0 | 0 | 111.5 | F476 Y512 L513 F518 F519 C520 M527 I723 | F476-L516 HydrophobicContact CB-CD1 4.39Å; F476-L516 HydrophobicContact CD1-CB 4.39Å; F476-L516 HydrophobicContact CD1-CD1 3.9Å; F476-L516 HydrophobicContact CE1-CB 4.03Å; F476-L516 HydrophobicContact CE1-CD1 4.39Å; F476-L516 HydrophobicContact CG-CD1 4.15Å; F476-L516 HydrophobicContact CZ-CB 4.47Å; Y512-L516 HydrophobicContact CE1-CD2 4.36Å; Y512-L516 VanDerWaalsContact O-CB 3.3Å; Y512-L516 WeakPolarHBondContact O-CB 3.28Å; Y512-L516 PolarHBondContact O-N 3.36Å; L513-L516 HydrophobicContact CD2-CD2 3.95Å; L513-L516 PolarHBondContact O-N 2.9Å; L516-F518 PolarHBondContact O-N 2.91Å; L516-F519 PolarHBondContact O-N 3.37Å; L516-F519 VanDerWaalsContact O-N 3.13Å; L516-C520 PolarHBondContact O-N 3.24Å; L516-C520 PolarHBondContact O-SG 2.85Å; L516-M527 HydrophobicContact CD1-CE 4.49Å; L516-I723 HydrophobicContact CD1-CD1 4.18Å; L516-I723 HydrophobicContact CD2-CB 4.14Å; L516-I723 HydrophobicContact CD2-CD1 3.55Å; L516-I723 HydrophobicContact CD2-CG1 4.37Å; L516-I723 HydrophobicContact CD2-CG2 4.1Å; L516-I723 HydrophobicContact CG-CD1 4.5Å |
| 517 | D | 87.5 | Confident | 85.1 | Confident | 19 Ų | 19 | 38.7 Ų | 38.7 | 10% | 0.102 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.8 | -39.1 | 176.8 | -66.9 | -24.6 | 0 | 0 | 0 | 111.3 | L513 V515 K521 A720 R760 | L513-D517 WeakPolarHBondContact O-CB 3.48Å; L513-D517 PolarHBondContact O-N 3.33Å; V515-D517 VanDerWaalsContact C-N 3.33Å; V515-D517 PolarHBondContact O-N 2.95Å; D517-K521 WeakPolarHBondContact O-CB 3.36Å; D517-K521 VanDerWaalsContact O-CD 3.28Å; D517-K521 WeakPolarHBondContact O-CD 3.43Å; D517-K521 WeakPolarHBondContact O-CG 3.41Å; D517-K521 PolarHBondContact O-N 3.47Å; D517-K521 VanDerWaalsContact O-N 3.15Å; D517-A720 WeakPolarHBondContact OD1-CB 3.31Å; D517-R760 IonicContact OD1-NH1 2.82Å; D517-R760 PolarHBondContact OD1-NH1 2.88Å; D517-R760 IonicContact OD2-CZ 3.33Å; D517-R760 IonicContact OD2-NH1 3.69Å; D517-R760 PolarHBondContact OD2-NH1 3.29Å; D517-R760 IonicContact OD2-NH2 2.65Å; D517-R760 PolarHBondContact OD2-NH2 3.06Å |
| 518 | F | 86.8 | Confident | 83.8 | Confident | 83 Ų | 83 | 40.3 Ų | 40.3 | 36% | 0.364 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69.2 | -46.8 | 176.8 | 178.6 | -84.2 | 0 | 0 | 0 | 111.9 | W454 E514 V515 L516 C520 K521 L522 | W454-F518 HydrophobicContact CH2-CB 3.98Å; W454-F518 AromaticContact CH2-CD1 3.33Å; W454-F518 HydrophobicContact CH2-CD1 3.33Å; W454-F518 AromaticContact CH2-CD2 3.77Å; W454-F518 HydrophobicContact CH2-CD2 3.77Å; W454-F518 AromaticContact CH2-CE1 3.62Å; W454-F518 HydrophobicContact CH2-CE1 3.62Å; W454-F518 HydrophobicContact CH2-CE2 4.03Å; W454-F518 AromaticContact CH2-CG 3.41Å; W454-F518 HydrophobicContact CH2-CG 3.41Å; W454-F518 VanDerWaalsContact CH2-CG 3.41Å; W454-F518 AromaticContact CH2-CZ 3.96Å; W454-F518 HydrophobicContact CH2-CZ 3.96Å; W454-F518 HydrophobicContact CZ2-CD2 4.47Å; W454-F518 HydrophobicContact CZ2-CG 4.36Å; W454-F518 HydrophobicContact CZ3-CB 4.49Å; W454-F518 AromaticContact CZ3-CD1 3.53Å; W454-F518 HydrophobicContact CZ3-CD1 3.53Å; W454-F518 AromaticContact CZ3-CE1 3.84Å; W454-F518 HydrophobicContact CZ3-CE1 3.84Å; W454-F518 HydrophobicContact CZ3-CG 4.03Å; E514-F518 PolarHBondContact O-N 3.37Å; V515-F518 WeakPolarHBondContact O-CB 3.1Å; V515-F518 PolarHBondContact O-N 2.81Å; V515-F518 VanDerWaalsContact O-N 3.11Å; L516-F518 PolarHBondContact O-N 2.91Å; F518-C520 PolarHBondContact O-N 3.19Å; F518-K521 PolarHBondContact O-N 3.31Å; F518-K521 VanDerWaalsContact O-N 3.17Å; F518-L522 HydrophobicContact CE1-CB 4.44Å; F518-L522 HydrophobicContact CE1-CD2 4.25Å; F518-L522 WeakPolarHBondContact O-CB 3.46Å; F518-L522 PolarHBondContact O-N 2.74Å |
| 519 | F | 83.9 | Confident | 82.5 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 178.5 | -89.1 | -100.7 | 0 | 0 | 0 | 111.6 | W454 L472 F476 V515 L516 K521 L522 H523 | W454-F519 HydrophobicContact CE3-CE2 4.11Å; W454-F519 HydrophobicContact CZ3-CD2 4.37Å; W454-F519 AromaticContact CZ3-CE2 3.87Å; W454-F519 HydrophobicContact CZ3-CE2 3.87Å; L472-F519 HydrophobicContact CB-CE1 4.24Å; L472-F519 HydrophobicContact CB-CE2 4.11Å; L472-F519 HydrophobicContact CB-CZ 3.66Å; L472-F519 HydrophobicContact CD1-CE2 3.82Å; L472-F519 HydrophobicContact CD1-CZ 3.79Å; L472-F519 HydrophobicContact CG-CZ 4.38Å; F476-F519 HydrophobicContact CD2-CB 4.34Å; F476-F519 HydrophobicContact CD2-CD1 4.35Å; F476-F519 HydrophobicContact CD2-CD2 4.38Å; F476-F519 HydrophobicContact CD2-CG 4.1Å; F476-F519 HydrophobicContact CE2-CB 4.28Å; F476-F519 HydrophobicContact CE2-CD1 4.35Å; F476-F519 AromaticContact CE2-CD2 3.65Å; F476-F519 HydrophobicContact CE2-CD2 3.65Å; F476-F519 HydrophobicContact CE2-CE2 4.02Å; F476-F519 AromaticContact CE2-CG 3.83Å; F476-F519 HydrophobicContact CE2-CG 3.83Å; V515-F519 HydrophobicContact CG1-CD2 3.83Å; V515-F519 HydrophobicContact CG1-CE2 3.82Å; V515-F519 WeakPolarHBondContact O-CD2 3.27Å; V515-F519 PolarHBondContact O-N 3.45Å; L516-F519 PolarHBondContact O-N 3.37Å; L516-F519 VanDerWaalsContact O-N 3.13Å; F519-K521 VanDerWaalsContact C-N 3.32Å; F519-K521 PolarHBondContact O-N 2.84Å; F519-L522 PolarHBondContact O-N 3.34Å; F519-H523 PolarHBondContact O-CD2 3.49Å; F519-H523 VanDerWaalsContact O-CD2 3.23Å; F519-H523 PolarHBondContact O-N 3.45Å |
| 520 | C | 83.8 | Confident | 81 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.034 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.4 | -42.8 | 173.1 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | L516 F518 H523 G525 S526 A720 | L516-C520 PolarHBondContact O-N 3.24Å; L516-C520 PolarHBondContact O-SG 2.85Å; F518-C520 PolarHBondContact O-N 3.19Å; C520-H523 PolarHBondContact O-N 3.31Å; C520-G525 CarbonylContact O-C 3.56Å; C520-G525 WeakPolarHBondContact O-CA 3.08Å; C520-G525 PolarHBondContact O-N 3.46Å; C520-S526 PolarHBondContact O-N 2.8Å; C520-A720 HydrophobicContact CB-CB 4.48Å |
| 521 | K | 84.5 | Confident | 79.3 | Confident | 155 Ų | 155 | 45.6 Ų | 45.6 | 67% | 0.674 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -65.8 | -40.3 | 175.9 | -73 | 163.8 | -171.1 | 167 | 0 | 112.7 | D517 F518 F519 H523 G524 | D517-K521 WeakPolarHBondContact O-CB 3.36Å; D517-K521 VanDerWaalsContact O-CD 3.28Å; D517-K521 WeakPolarHBondContact O-CD 3.43Å; D517-K521 WeakPolarHBondContact O-CG 3.41Å; D517-K521 PolarHBondContact O-N 3.47Å; D517-K521 VanDerWaalsContact O-N 3.15Å; F518-K521 PolarHBondContact O-N 3.31Å; F518-K521 VanDerWaalsContact O-N 3.17Å; F519-K521 VanDerWaalsContact C-N 3.32Å; F519-K521 PolarHBondContact O-N 2.84Å; K521-H523 VanDerWaalsContact C-N 3.28Å; K521-H523 PolarHBondContact O-N 2.8Å; K521-G524 PolarHBondContact O-N 3.17Å |
| 522 | L | 80.4 | Confident | 77.5 | Confident | 108 Ų | 108 | 49.5 Ų | 49.5 | 57% | 0.565 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62 | -36.2 | 178.1 | -170.3 | 70.8 | 0 | 0 | 0 | 112 | F518 F519 G524 | F518-L522 HydrophobicContact CE1-CB 4.44Å; F518-L522 HydrophobicContact CE1-CD2 4.25Å; F518-L522 WeakPolarHBondContact O-CB 3.46Å; F518-L522 PolarHBondContact O-N 2.74Å; F519-L522 PolarHBondContact O-N 3.34Å; L522-G524 VanDerWaalsContact C-N 3.31Å; L522-G524 PolarHBondContact O-N 2.88Å |
| 523 | H | 74.1 | Confident | 75.6 | Confident | 112 Ų | 112 | 50.7 Ų | 50.7 | 52% | 0.519 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 22.9 | 177.1 | -67.4 | -70.1 | 0 | 0 | 0 | 114 | F519 C520 K521 S526 | F519-H523 PolarHBondContact O-CD2 3.49Å; F519-H523 VanDerWaalsContact O-CD2 3.23Å; F519-H523 PolarHBondContact O-N 3.45Å; C520-H523 PolarHBondContact O-N 3.31Å; K521-H523 VanDerWaalsContact C-N 3.28Å; K521-H523 PolarHBondContact O-N 2.8Å; H523-S526 WeakPolarHBondContact CB-O 3.39Å; H523-S526 VanDerWaalsContact O-O 3.12Å |
| 524 | G | 68.5 | Low | 73.1 | Confident | 76 Ų | 76 | 57.4 Ų | 57.4 | 78% | 0.784 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 18 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | K521 L522 | K521-G524 PolarHBondContact O-N 3.17Å; L522-G524 VanDerWaalsContact C-N 3.31Å; L522-G524 PolarHBondContact O-N 2.88Å |
| 525 | G | 68 | Low | 70.6 | Confident | 32 Ų | 32 | 60.4 Ų | 60.4 | 33% | 0.33 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 102.5 | -1.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | C520 Q719 | C520-G525 CarbonylContact O-C 3.56Å; C520-G525 WeakPolarHBondContact O-CA 3.08Å; C520-G525 PolarHBondContact O-N 3.46Å; G525-Q719 PolarHBondContact O-NE2 3.49Å; G525-Q719 VanDerWaalsContact O-NE2 3.1Å |
| 526 | S | 70.6 | Confident | 68 | Low | 42 Ų | 42 | 64.7 Ų | 64.7 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | trans | -153.7 | 153.3 | 174.6 | 62.9 | 0 | 0 | 0 | 0 | 111.5 | C520 H523 L718 | C520-S526 PolarHBondContact O-N 2.8Å; H523-S526 WeakPolarHBondContact CB-O 3.39Å; H523-S526 VanDerWaalsContact O-O 3.12Å; S526-L718 CarbonylContact C-O 3.58Å; S526-L718 WeakPolarHBondContact CA-O 3.42Å | ||
| 527 | M | 70.5 | Confident | 65.3 | Low | 10 Ų | 10 | 75.7 Ų | 75.7 | 5% | 0.049 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134.4 | 174.6 | 176.5 | -175.4 | 63.9 | 0 | 0 | 109.7 | F476 R477 L516 V529 L718 | F476-M527 HydrophobicContact CB-CE 3.38Å; F476-M527 HydrophobicContact CB-SD 3.89Å; F476-M527 HydrophobicContact CG-CE 4.48Å; R477-M527 HydrophobicContact CG-SD 4.35Å; L516-M527 HydrophobicContact CD1-CE 4.49Å; M527-V529 HydrophobicContact CE-CG1 3.41Å; M527-V529 VanDerWaalsContact CE-CG1 3.41Å; M527-V529 HydrophobicContact CG-CG1 4.38Å; M527-V529 PolarHBondContact O-N 3.27Å; M527-L718 PolarHBondContact N-O 3.4Å; M527-L718 PolarHBondContact O-N 2.82Å |
| 528 | T | 66.8 | Low | 62.7 | Low | 87 Ų | 87 | 84.3 Ų | 84.3 | 53% | 0.534 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 120.5 | 174.8 | 46.7 | 0 | 0 | 0 | 0 | 110.2 | ||
| 529 | V | 66.7 | Low | 60.1 | Low | 5 Ų | 5 | 91.8 Ų | 91.8 | 3% | 0.03 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 146.1 | 177.1 | -56.7 | 0 | 0 | 0 | 0 | 110.6 | R477 M527 E715 V716 L718 | R477-V529 HydrophobicContact CG-CG1 4.36Å; M527-V529 HydrophobicContact CE-CG1 3.41Å; M527-V529 VanDerWaalsContact CE-CG1 3.41Å; M527-V529 HydrophobicContact CG-CG1 4.38Å; M527-V529 PolarHBondContact O-N 3.27Å; V529-E715 CarbonylContact O-C 3.58Å; V529-E715 WeakPolarHBondContact O-CA 3.47Å; V529-V716 PolarHBondContact N-O 2.88Å; V529-V716 PolarHBondContact O-N 3.4Å; V529-L718 HydrophobicContact CG1-CB 4.07Å; V529-L718 HydrophobicContact CG2-CB 3.67Å; V529-L718 HydrophobicContact CG2-CD1 3.91Å; V529-L718 HydrophobicContact CG2-CG 4.45Å |
| 530 | Q | 62.8 | Low | 57.6 | Low | 83 Ų | 83 | 100.6 Ų | 100.6 | 39% | 0.388 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 133.7 | 167.7 | -74.2 | 179.6 | -18.3 | 0 | 0 | 110 | R482 I713 R714 E715 | R482-Q530 PolarHBondContact NH2-O 2.77Å; Q530-I713 HydrophobicContact CB-CG2 3.68Å; Q530-I713 HydrophobicContact CG-CG2 3.74Å; Q530-R714 WeakPolarHBondContact CA-O 3.34Å; Q530-E715 HydrophobicContact CG-CG 4.34Å |
| 531 | R | 58.8 | Low | 55.2 | Low | 41 Ų | 41 | 108.2 Ų | 108.2 | 16% | 0.155 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.2 | 172.6 | -174.4 | 174.7 | -179.9 | -175.8 | -8.1 | 108.7 | V533 V690 E693 R714 V716 | R531-V533 HydrophobicContact CG-CG2 4.45Å; R531-V533 PolarHBondContact O-N 2.72Å; R531-V690 PolarHBondContact NH1-O 2.84Å; R531-V690 VanDerWaalsContact NH1-O 3.1Å; R531-V690 PolarHBondContact NH2-O 3.43Å; R531-E693 IonicContact CZ-OE2 3.38Å; R531-E693 IonicContact NE-OE2 3.28Å; R531-E693 PolarHBondContact NE-OE2 3.42Å; R531-E693 IonicContact NH2-OE2 2.66Å; R531-E693 PolarHBondContact NH2-OE2 2.87Å; R531-R714 PolarHBondContact N-O 2.91Å; R531-R714 PolarHBondContact O-N 3.43Å; R531-V716 HydrophobicContact CB-CG2 4.14Å |
| 532 | K | 56.6 | Low | 52.5 | Low | 108 Ų | 108 | 108.6 Ų | 108.6 | 47% | 0.47 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 115.7 | 165.5 | -75.9 | 177.2 | 176.1 | 171.2 | 0 | 107.6 | I713 | K532-I713 HydrophobicContact CG-CG1 4.08Å |
| 533 | V | 53.3 | Low | 50.3 | Low | 27 Ų | 27 | 111.1 Ų | 111.1 | 16% | 0.164 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 124.5 | 175.2 | -179 | 0 | 0 | 0 | 0 | 108.5 | R531 Q535 S712 | R531-V533 HydrophobicContact CG-CG2 4.45Å; R531-V533 PolarHBondContact O-N 2.72Å; V533-Q535 PolarHBondContact O-N 2.88Å; V533-S712 PolarHBondContact N-O 2.86Å; V533-S712 PolarHBondContact O-N 2.97Å |
| 534 | R | 39.6 | Very low | 48.2 | Very low | 142 Ų | 142 | 115.6 Ų | 115.6 | 54% | 0.536 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 112.1 | 173.6 | -75.8 | 177.9 | 164.6 | -173.9 | -1.2 | 110 | T536 | R534-T536 PolarHBondContact O-N 3.24Å |
| 535 | Q | 39.2 | Very low | 46.4 | Very low | 125 Ų | 125 | 116.9 Ų | 116.9 | 58% | 0.584 | 54% | 0.541 | S | S | * | . | trans | -65 | 101.3 | 169.5 | -74.1 | -165.6 | -2.7 | 0 | 0 | 110.4 | V533 R537 | V533-Q535 PolarHBondContact O-N 2.88Å; Q535-R537 PolarHBondContact O-N 3.36Å | ||
| 536 | T | 36.5 | Very low | 44.6 | Very low | 93 Ų | 93 | 121.7 Ų | 121.7 | 57% | 0.571 | 56% | 0.559 | S | S | * | * | trans | -77.8 | 102.1 | 166.7 | 49.8 | 0 | 0 | 0 | 0 | 108.5 | R534 R538 | R534-T536 PolarHBondContact O-N 3.24Å; T536-R538 PolarHBondContact O-N 3.06Å | ||
| 537 | R | 32.2 | Very low | 42.6 | Very low | 231 Ų | 231 | 127.8 Ų | 127.8 | 87% | 0.872 | 58% | 0.58 | S | S | * | * | trans | -57 | 100.5 | 170.5 | -86.4 | -174.1 | 166.2 | -171.4 | -4.6 | 109.4 | Q535 R539 | Q535-R537 PolarHBondContact O-N 3.36Å; R537-R539 PolarHBondContact O-N 2.97Å | ||
| 538 | R | 32.3 | Very low | 40.9 | Very low | 199 Ų | 199 | 135.6 Ų | 135.6 | 75% | 0.751 | 62% | 0.616 | S | S | * | * | trans | -52.3 | 108.7 | 164.9 | -75.8 | -175.3 | 177.7 | -158.5 | 0.6 | 107.3 | T536 K540 E689 | T536-R538 PolarHBondContact O-N 3.06Å; R538-K540 PolarHBondContact O-N 2.78Å; R538-E689 IonicContact CZ-OE1 3.34Å; R538-E689 IonicContact NE-OE1 2.63Å; R538-E689 PolarHBondContact NE-OE1 3.48Å; R538-E689 IonicContact NH2-OE1 3.44Å; R538-E689 PolarHBondContact NH2-OE1 3.24Å | ||
| 539 | R | 32.4 | Very low | 39.1 | Very low | 240 Ų | 240 | 135.8 Ų | 135.8 | 91% | 0.906 | 63% | 0.626 | S | S | * | * | trans | -59.7 | 101.5 | 175.1 | -77.3 | 178 | 164.6 | 176.9 | -5.2 | 108.2 | R537 K541 | R537-R539 PolarHBondContact O-N 2.97Å; R539-K541 VanDerWaalsContact C-N 3.27Å; R539-K541 PolarHBondContact O-N 2.77Å | ||
| 540 | K | 32.5 | Very low | 37.4 | Very low | 191 Ų | 191 | 139.9 Ų | 139.9 | 83% | 0.83 | 66% | 0.661 | S | S | * | * | trans | -55.8 | 95.6 | 164.2 | -88.8 | -175.2 | 174.7 | 178.2 | 0 | 107 | R538 L542 | R538-K540 PolarHBondContact O-N 2.78Å; K540-L542 PolarHBondContact O-N 2.81Å | ||
| 541 | K | 32.2 | Very low | 35.9 | Very low | 165 Ų | 165 | 141 Ų | 141 | 72% | 0.717 | 67% | 0.673 | S | S | * | * | trans | -80.3 | 116.8 | -179.4 | -167.4 | -173.4 | 174.1 | -135.7 | 0 | 107 | R539 E543 | R539-K541 VanDerWaalsContact C-N 3.27Å; R539-K541 PolarHBondContact O-N 2.77Å; K541-E543 IonicContact NZ-OE1 2.77Å; K541-E543 PolarHBondContact NZ-OE1 2.8Å; K541-E543 PolarHBondContact O-N 2.9Å | ||
| 542 | L | 29.5 | Very low | 34.8 | Very low | 163 Ų | 163 | 146.1 Ų | 146.1 | 85% | 0.853 | 70% | 0.699 | S | S | * | * | trans | -59.7 | 119.7 | -179.5 | -70.3 | 77.6 | 0 | 0 | 0 | 110.2 | K540 | K540-L542 PolarHBondContact O-N 2.81Š| ||
| 543 | E | 33.7 | Very low | 33.8 | Very low | 161 Ų | 161 | 147.6 Ų | 147.6 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | trans | -128.9 | 109.8 | 158.7 | -69.1 | -172.1 | -176.3 | 0 | 0 | 108.6 | K541 | K541-E543 IonicContact NZ-OE1 2.77Å; K541-E543 PolarHBondContact NZ-OE1 2.8Å; K541-E543 PolarHBondContact O-N 2.9Å | ||
| 544 | K | 30.5 | Very low | 32.6 | Very low | 206 Ų | 206 | 151.1 Ų | 151.1 | 90% | 0.896 | 73% | 0.73 | S | S | * | * | trans | -86.3 | 163.7 | 174 | -107.7 | -171.6 | 176.5 | 179.9 | 0 | 109.3 | ||||
| 545 | P | 29.9 | Very low | 32.4 | Very low | 104 Ų | 104 | 148.9 Ų | 148.9 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | -108.9 | -162.2 | -111.6 | 42.6 | -40.2 | 0 | 0 | 0 | 113.2 | |||||
| 546 | N | 29.6 | Very low | 32.2 | Very low | 132 Ų | 132 | 146.7 Ų | 146.7 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | trans | 75.5 | 147.4 | 172.1 | -72.1 | -17.5 | 0 | 0 | 0 | 115.9 | ||||
| 547 | K | 29.9 | Very low | 32.2 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 74% | 0.739 | 75% | 0.749 | S | S | * | * | cis | -172.2 | 175.6 | -26.3 | -121.8 | 177.8 | -171.1 | -177.5 | 0 | 105.1 | ||||
| 548 | E | 33.7 | Very low | 32.3 | Very low | 175 Ų | 175 | 144.1 Ų | 144.1 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | 67.9 | 90.6 | 170.9 | -68.1 | 156.7 | -141.5 | 0 | 0 | 113.7 | ||||
| 549 | A | 30.1 | Very low | 32.4 | Very low | 90 Ų | 90 | 140.1 Ų | 140.1 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | 73.3 | 112.8 | 84.3 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 550 | A | 31.2 | Very low | 32.6 | Very low | 92 Ų | 92 | 135.3 Ų | 135.3 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | 69.5 | 147.6 | 79.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 551 | T | 30.9 | Very low | 32.4 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 64% | 0.644 | 74% | 0.742 | S | S | * | * | cis | -152.2 | 168.1 | 14.6 | -34.2 | 0 | 0 | 0 | 0 | 108.7 | E553 | T551-E553 HydrophobicContact CG2-CG 4.09Š| ||
| 552 | Q | 34.6 | Very low | 32.4 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | trans | 155.7 | 96.8 | 142.8 | -86.1 | 171.9 | 17.9 | 0 | 0 | 108.4 | ||||
| 553 | E | 35.5 | Very low | 32.7 | Very low | 138 Ų | 138 | 124 Ų | 124 | 65% | 0.645 | 74% | 0.74 | S | S | * | * | 86.5 | 118.2 | 63.7 | -73.9 | 171.1 | -168 | 0 | 0 | 113.5 | T551 | T551-E553 HydrophobicContact CG2-CG 4.09Š| |||
| 554 | T | 29.6 | Very low | 33 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | trans | -101.4 | 117.7 | 166.9 | 39.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 555 | S | 34.3 | Very low | 33.5 | Very low | 94 Ų | 94 | 120 Ų | 120 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | trans | -60.1 | 153.6 | 154 | 50.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 556 | A | 36.1 | Very low | 34.8 | Very low | 80 Ų | 80 | 117.3 Ų | 117.3 | 66% | 0.661 | 72% | 0.717 | S | S | * | * | cis | -174.6 | 163.5 | -12.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 557 | T | 36 | Very low | 36.5 | Very low | 127 Ų | 127 | 115.9 Ų | 115.9 | 78% | 0.779 | 70% | 0.704 | S | S | * | * | -170.1 | 110.8 | 127.2 | 13 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 558 | D | 34.3 | Very low | 38.7 | Very low | 143 Ų | 143 | 113.7 Ų | 113.7 | 77% | 0.765 | 70% | 0.697 | S | S | * | * | trans | 40 | 96.3 | 139.1 | -49.3 | -22.3 | 0 | 0 | 0 | 119.5 | ||||
| 559 | S | 34.4 | Very low | 40.6 | Very low | 114 Ų | 114 | 109.1 Ų | 109.1 | 80% | 0.797 | 68% | 0.677 | S | S | * | * | -177.8 | 121.2 | 101.4 | 38.2 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 560 | V | 35.4 | Very low | 42.8 | Very low | 139 Ų | 139 | 108.5 Ų | 108.5 | 84% | 0.842 | 66% | 0.662 | S | S | * | * | trans | 44 | 94.1 | 141.6 | -166.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 561 | A | 29.3 | Very low | 45.4 | Very low | 97 Ų | 97 | 104.3 Ų | 104.3 | 80% | 0.802 | 63% | 0.626 | S | S | * | * | trans | 60.9 | 96.2 | 135 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 562 | A | 32.9 | Very low | 47.9 | Very low | 100 Ų | 100 | 102.9 Ų | 102.9 | 83% | 0.826 | 62% | 0.62 | S | S | * | * | trans | -156.8 | 149.4 | 131.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 563 | A | 34.4 | Very low | 50.1 | Low | 85 Ų | 85 | 101.8 Ų | 101.8 | 70% | 0.702 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 156.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | K565 | A563-K565 PolarHBondContact O-N 3.28Š|
| 564 | P | 39.8 | Very low | 52.4 | Low | 126 Ų | 126 | 95.9 Ų | 95.9 | 82% | 0.818 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 120.4 | 176.5 | 27.6 | -34.1 | 0 | 0 | 0 | 109.6 | S566 | P564-S566 PolarHBondContact O-N 2.77Š|
| 565 | K | 42.4 | Very low | 55.1 | Low | 158 Ų | 158 | 93.4 Ų | 93.4 | 69% | 0.687 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 124.4 | 174.9 | -69.4 | 179.9 | 179.2 | 172.5 | 0 | 109.2 | A563 D569 | A563-K565 PolarHBondContact O-N 3.28Å; K565-D569 WeakPolarHBondContact CA-OD2 3.39Å; K565-D569 HydrophobicContact CB-CB 4.33Å; K565-D569 WeakPolarHBondContact CB-OD2 3.36Å |
| 566 | S | 55.9 | Low | 57.4 | Low | 47 Ų | 47 | 94.4 Ų | 94.4 | 33% | 0.329 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -75.9 | 156.7 | 178.2 | 179 | 0 | 0 | 0 | 0 | 109.4 | P564 E568 D569 | P564-S566 PolarHBondContact O-N 2.77Å; S566-E568 WeakPolarHBondContact CB-OE2 3.31Å; S566-E568 PolarHBondContact O-N 2.86Å; S566-E568 WeakPolarHBondContact OG-CG 3.2Å; S566-E568 PolarHBondContact OG-N 2.82Å; S566-E568 PolarHBondContact OG-OE2 3.3Å; S566-D569 PolarHBondContact N-OD2 2.84Å; S566-D569 WeakPolarHBondContact O-CB 3.35Å; S566-D569 PolarHBondContact O-N 3.39Å |
| 567 | K | 66.6 | Low | 59.8 | Low | 101 Ų | 101 | 94.5 Ų | 94.5 | 44% | 0.439 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -53.1 | -20.8 | 166.6 | -76.5 | -175.6 | 176.1 | 179.3 | 0 | 111.8 | W571 F656 | K567-W571 WeakPolarHBondContact O-CB 3.44Å; K567-W571 PolarHBondContact O-N 2.83Å; K567-F656 HydrophobicContact CB-CD1 4.42Å; K567-F656 HydrophobicContact CB-CE1 3.74Å |
| 568 | E | 74.8 | Confident | 62.1 | Low | 125 Ų | 125 | 88.4 Ų | 88.4 | 58% | 0.584 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.7 | -31.5 | 172.9 | -62.4 | 162.7 | 127.9 | 0 | 0 | 113.9 | S566 S572 F656 | S566-E568 WeakPolarHBondContact CB-OE2 3.31Å; S566-E568 PolarHBondContact O-N 2.86Å; S566-E568 WeakPolarHBondContact OG-CG 3.2Å; S566-E568 PolarHBondContact OG-N 2.82Å; S566-E568 PolarHBondContact OG-OE2 3.3Å; E568-S572 WeakPolarHBondContact O-CB 3.37Å; E568-S572 PolarHBondContact O-N 3.42Å; E568-S572 PolarHBondContact O-OG 2.86Å; E568-F656 HydrophobicContact CG-CE1 4.41Å; E568-F656 HydrophobicContact CG-CZ 4.38Å |
| 569 | D | 74.8 | Confident | 64.6 | Low | 78 Ų | 78 | 84.9 Ų | 84.9 | 42% | 0.417 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.3 | -38.5 | 177.5 | -71.7 | -40 | 0 | 0 | 0 | 111.2 | K565 S566 S572 | K565-D569 WeakPolarHBondContact CA-OD2 3.39Å; K565-D569 HydrophobicContact CB-CB 4.33Å; K565-D569 WeakPolarHBondContact CB-OD2 3.36Å; S566-D569 PolarHBondContact N-OD2 2.84Å; S566-D569 WeakPolarHBondContact O-CB 3.35Å; S566-D569 PolarHBondContact O-N 3.39Å; D569-S572 PolarHBondContact O-N 3.49Å |
| 570 | D | 75.4 | Confident | 67 | Low | 78 Ų | 78 | 86.3 Ų | 86.3 | 42% | 0.417 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.8 | -43.4 | 177.5 | -63.3 | -36.4 | 0 | 0 | 0 | 110.8 | S572 K573 L574 | D570-S572 PolarHBondContact O-N 3.17Å; D570-K573 PolarHBondContact O-N 3.24Å; D570-L574 PolarHBondContact O-N 3.14Å; D570-L574 VanDerWaalsContact O-N 3.14Å |
| 571 | W | 86.8 | Confident | 69.3 | Low | 4 Ų | 4 | 80 Ų | 80 | 2% | 0.015 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -56.9 | -37.7 | 171.1 | 180 | -92.1 | 0 | 0 | 0 | 111.9 | K567 K573 L574 E575 L578 I648 L651 K652 F655 F656 | K567-W571 WeakPolarHBondContact O-CB 3.44Å; K567-W571 PolarHBondContact O-N 2.83Å; W571-K573 PolarHBondContact O-N 3.41Å; W571-L574 PolarHBondContact O-N 2.99Å; W571-E575 HydrophobicContact CZ2-CB 4.36Å; W571-E575 HydrophobicContact CZ2-CG 4.11Å; W571-E575 PolarHBondContact NE1-OE2 3.15Å; W571-E575 WeakPolarHBondContact O-CB 3.48Å; W571-E575 PolarHBondContact O-N 2.9Å; W571-L578 HydrophobicContact CH2-CD1 3.73Å; W571-L578 HydrophobicContact CZ2-CD1 4.44Å; W571-L578 HydrophobicContact CZ3-CD1 4.21Å; W571-I648 HydrophobicContact CZ2-CG2 4.01Å; W571-L651 HydrophobicContact CH2-CB 4.13Å; W571-K652 HydrophobicContact CD2-CD 4.48Å; W571-K652 HydrophobicContact CD2-CG 4.11Å; W571-K652 VanDerWaalsContact CH2-CA 3.43Å; W571-K652 HydrophobicContact CH2-CB 3.68Å; W571-K652 HydrophobicContact CH2-CG 4.23Å; W571-K652 VanDerWaalsContact CH2-N 3.33Å; W571-K652 HydrophobicContact CZ2-CB 3.5Å; W571-K652 VanDerWaalsContact CZ2-CB 3.5Å; W571-K652 HydrophobicContact CZ2-CD 3.92Å; W571-K652 HydrophobicContact CZ2-CG 3.75Å; W571-K652 HydrophobicContact CZ3-CB 4.31Å; W571-K652 VanDerWaalsContact NE1-CE 3.33Å; W571-K652 VanDerWaalsContact NE1-NZ 3.16Å; W571-F655 HydrophobicContact CB-CD1 4.34Å; W571-F655 HydrophobicContact CB-CE1 4.07Å; W571-F655 HydrophobicContact CD2-CD1 4.41Å; W571-F655 HydrophobicContact CE3-CB 3.82Å; W571-F655 AromaticContact CE3-CD1 3.62Å; W571-F655 HydrophobicContact CE3-CD1 3.62Å; W571-F655 HydrophobicContact CE3-CD2 4.28Å; W571-F655 HydrophobicContact CE3-CE1 4.21Å; W571-F655 AromaticContact CE3-CG 3.64Å; W571-F655 HydrophobicContact CE3-CG 3.64Å; W571-F655 HydrophobicContact CZ3-CB 3.77Å; W571-F655 HydrophobicContact CZ3-CD1 4.42Å; W571-F655 HydrophobicContact CZ3-CG 4.01Å; W571-F656 HydrophobicContact CB-CE2 4.02Å; W571-F656 HydrophobicContact CB-CZ 3.84Å; W571-F656 HydrophobicContact CD2-CE2 4.09Å; W571-F656 HydrophobicContact CE3-CE2 4.43Å; W571-F656 AromaticContact CG-CE2 3.84Å; W571-F656 HydrophobicContact CG-CE2 3.84Å; W571-F656 HydrophobicContact CG-CZ 4.15Å |
| 572 | S | 81.7 | Confident | 71.8 | Confident | 74 Ų | 74 | 78.5 Ų | 78.5 | 52% | 0.517 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.8 | -23.5 | -178.7 | -61.7 | 0 | 0 | 0 | 0 | 113.9 | E568 D569 D570 | E568-S572 WeakPolarHBondContact O-CB 3.37Å; E568-S572 PolarHBondContact O-N 3.42Å; E568-S572 PolarHBondContact O-OG 2.86Å; D569-S572 PolarHBondContact O-N 3.49Å; D570-S572 PolarHBondContact O-N 3.17Å |
| 573 | K | 82 | Confident | 74.2 | Confident | 127 Ų | 127 | 80.6 Ų | 80.6 | 55% | 0.552 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -85.8 | -46.9 | 171.7 | -63.2 | 174.4 | -173.4 | 165.2 | 0 | 111.6 | D570 W571 E575 E576 E577 | D570-K573 PolarHBondContact O-N 3.24Å; W571-K573 PolarHBondContact O-N 3.41Å; K573-E575 PolarHBondContact O-N 3.24Å; K573-E576 PolarHBondContact O-N 3.41Å; K573-E577 PolarHBondContact O-N 2.98Å; K573-E577 VanDerWaalsContact O-N 3.08Å |
| 574 | L | 83 | Confident | 76.4 | Confident | 15 Ų | 15 | 80.1 Ų | 80.1 | 8% | 0.079 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -56.6 | -34.1 | 176.2 | -105.2 | 134.8 | 0 | 0 | 0 | 112.3 | D570 W571 E576 E577 L578 L617 F655 | D570-L574 PolarHBondContact O-N 3.14Å; D570-L574 VanDerWaalsContact O-N 3.14Å; W571-L574 PolarHBondContact O-N 2.99Å; L574-E576 VanDerWaalsContact C-N 3.33Å; L574-E576 PolarHBondContact O-N 3.38Å; L574-E577 PolarHBondContact O-N 3.04Å; L574-L578 VanDerWaalsContact O-CB 3.25Å; L574-L578 WeakPolarHBondContact O-CB 3.48Å; L574-L578 WeakPolarHBondContact O-CG 3.43Å; L574-L578 PolarHBondContact O-N 3.25Å; L574-L617 WeakPolarHBondContact CD1-O 3.47Å; L574-L617 HydrophobicContact CD2-CB 4.29Å; L574-L617 HydrophobicContact CD2-CD2 3.76Å; L574-L617 WeakPolarHBondContact CD2-O 3.49Å; L574-F655 HydrophobicContact CD1-CE2 4.18Å; L574-F655 HydrophobicContact CD1-CZ 4.41Å |
| 575 | E | 85.9 | Confident | 78.1 | Confident | 50 Ų | 50 | 79 Ų | 79 | 23% | 0.234 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.1 | -32.5 | 177.7 | -155 | -173.2 | 107.7 | 0 | 0 | 112.4 | W571 K573 K579 I648 K652 | W571-E575 HydrophobicContact CZ2-CB 4.36Å; W571-E575 HydrophobicContact CZ2-CG 4.11Å; W571-E575 PolarHBondContact NE1-OE2 3.15Å; W571-E575 WeakPolarHBondContact O-CB 3.48Å; W571-E575 PolarHBondContact O-N 2.9Å; K573-E575 PolarHBondContact O-N 3.24Å; E575-K579 WeakPolarHBondContact O-CD 3.24Å; E575-K579 WeakPolarHBondContact O-CG 3.34Å; E575-K579 PolarHBondContact O-N 2.63Å; E575-K579 VanDerWaalsContact O-N 3.14Å; E575-K579 WeakPolarHBondContact OE1-CE 3.48Å; E575-K579 IonicContact OE1-NZ 3.77Å; E575-K579 PolarHBondContact OE1-NZ 3.26Å; E575-I648 HydrophobicContact CG-CG2 3.94Å; E575-K652 IonicContact OE2-NZ 3.08Å; E575-K652 PolarHBondContact OE2-NZ 2.97Å |
| 576 | E | 84.5 | Confident | 79.8 | Confident | 114 Ų | 114 | 76.5 Ų | 76.5 | 53% | 0.533 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -77.1 | -39.6 | 174.2 | -64.1 | -62.9 | 109.7 | 0 | 0 | 111.3 | K573 L574 K579 Q580 | K573-E576 PolarHBondContact O-N 3.41Å; L574-E576 VanDerWaalsContact C-N 3.33Å; L574-E576 PolarHBondContact O-N 3.38Å; E576-K579 PolarHBondContact O-N 3Å; E576-K579 IonicContact OE1-NZ 3.88Å; E576-K579 PolarHBondContact OE1-NZ 2.85Å; E576-Q580 WeakPolarHBondContact O-CB 3.45Å; E576-Q580 PolarHBondContact O-N 3.04Å |
| 577 | E | 84.5 | Confident | 80.7 | Confident | 82 Ų | 82 | 76.8 Ų | 76.8 | 38% | 0.383 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 174 | -69.1 | 171.1 | -177.4 | 0 | 0 | 111.9 | K573 L574 Q580 A581 A622 | K573-E577 PolarHBondContact O-N 2.98Å; K573-E577 VanDerWaalsContact O-N 3.08Å; L574-E577 PolarHBondContact O-N 3.04Å; E577-Q580 PolarHBondContact O-N 3.22Å; E577-A581 WeakPolarHBondContact O-CB 3.48Å; E577-A581 PolarHBondContact O-N 3.44Å; E577-A622 HydrophobicContact CB-CB 4.25Å |
| 578 | L | 85.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 174.2 | -75.5 | 169.4 | 0 | 0 | 0 | 112.2 | W571 L574 Q580 A581 L582 L617 A622 I626 L651 | W571-L578 HydrophobicContact CH2-CD1 3.73Å; W571-L578 HydrophobicContact CZ2-CD1 4.44Å; W571-L578 HydrophobicContact CZ3-CD1 4.21Å; L574-L578 VanDerWaalsContact O-CB 3.25Å; L574-L578 WeakPolarHBondContact O-CB 3.48Å; L574-L578 WeakPolarHBondContact O-CG 3.43Å; L574-L578 PolarHBondContact O-N 3.25Å; L578-Q580 VanDerWaalsContact C-N 3.34Å; L578-A581 PolarHBondContact O-N 3.25Å; L578-L582 WeakPolarHBondContact O-CD1 3.33Å; L578-L582 PolarHBondContact O-N 3.11Å; L578-L617 HydrophobicContact CD1-CD2 4.07Å; L578-L617 HydrophobicContact CD2-CD2 4.34Å; L578-A622 HydrophobicContact CD2-CB 3.89Å; L578-A622 HydrophobicContact CG-CB 4.31Å; L578-I626 HydrophobicContact CD2-CD1 3.91Å; L578-I626 HydrophobicContact CD2-CG1 3.9Å; L578-L651 HydrophobicContact CD1-CB 4.35Å; L578-L651 HydrophobicContact CD1-CD1 3.94Å; L578-L651 HydrophobicContact CD2-CD1 3.55Å; L578-L651 HydrophobicContact CG-CD1 4.37Å |
| 579 | K | 86 | Confident | 81.8 | Confident | 69 Ų | 69 | 69.9 Ų | 69.9 | 30% | 0.3 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 172.8 | -73.5 | 163 | -162.7 | 157.2 | 0 | 111 | E575 E576 A581 L582 D583 I648 | E575-K579 WeakPolarHBondContact O-CD 3.24Å; E575-K579 WeakPolarHBondContact O-CG 3.34Å; E575-K579 PolarHBondContact O-N 2.63Å; E575-K579 VanDerWaalsContact O-N 3.14Å; E575-K579 WeakPolarHBondContact OE1-CE 3.48Å; E575-K579 IonicContact OE1-NZ 3.77Å; E575-K579 PolarHBondContact OE1-NZ 3.26Å; E576-K579 PolarHBondContact O-N 3Å; E576-K579 IonicContact OE1-NZ 3.88Å; E576-K579 PolarHBondContact OE1-NZ 2.85Å; K579-A581 VanDerWaalsContact C-N 3.32Å; K579-A581 PolarHBondContact O-N 3.39Å; K579-L582 PolarHBondContact O-N 3.46Å; K579-D583 PolarHBondContact O-N 2.86Å; K579-I648 HydrophobicContact CG-CD1 3.78Å |
| 580 | Q | 85.1 | Confident | 81.9 | Confident | 144 Ų | 144 | 74 Ų | 74 | 67% | 0.673 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.7 | -38.1 | 177.9 | -171.6 | 174.3 | -3.8 | 0 | 0 | 112.3 | E576 E577 L578 D583 D584 | E576-Q580 WeakPolarHBondContact O-CB 3.45Å; E576-Q580 PolarHBondContact O-N 3.04Å; E577-Q580 PolarHBondContact O-N 3.22Å; L578-Q580 VanDerWaalsContact C-N 3.34Å; Q580-D583 PolarHBondContact O-N 3.01Å; Q580-D584 PolarHBondContact O-N 2.93Å; Q580-D584 VanDerWaalsContact O-N 3.12Å |
| 581 | A | 83.6 | Confident | 82 | Confident | 7 Ų | 7 | 78.2 Ų | 78.2 | 6% | 0.058 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -71.4 | -29.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E577 L578 K579 S587 A622 I626 | E577-A581 WeakPolarHBondContact O-CB 3.48Å; E577-A581 PolarHBondContact O-N 3.44Å; L578-A581 PolarHBondContact O-N 3.25Å; K579-A581 VanDerWaalsContact C-N 3.32Å; K579-A581 PolarHBondContact O-N 3.39Å; A581-S587 WeakPolarHBondContact CA-OG 3.39Å; A581-S587 PolarHBondContact O-OG 3.22Å; A581-A622 HydrophobicContact CB-CB 4Å; A581-I626 HydrophobicContact CB-CD1 3.77Å |
| 582 | L | 82.7 | Confident | 81.6 | Confident | 65 Ų | 65 | 79.8 Ų | 79.8 | 34% | 0.34 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -72.5 | -32.5 | 171.2 | -97.6 | 118.4 | 0 | 0 | 0 | 112.9 | L578 K579 I626 I648 | L578-L582 WeakPolarHBondContact O-CD1 3.33Å; L578-L582 PolarHBondContact O-N 3.11Å; K579-L582 PolarHBondContact O-N 3.46Å; L582-I626 HydrophobicContact CD1-CD1 3.81Å; L582-I626 HydrophobicContact CD1-CG1 4.43Å; L582-I626 HydrophobicContact CG-CD1 4.26Å; L582-I648 HydrophobicContact CD1-CD1 4.43Å; L582-I648 HydrophobicContact CD1-CG1 4.11Å |
| 583 | D | 82.7 | Confident | 81.6 | Confident | 143 Ų | 143 | 81.1 Ų | 81.1 | 77% | 0.765 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -79.2 | -23 | 178.3 | -79.8 | -20.5 | 0 | 0 | 0 | 113.6 | K579 Q580 P585 | K579-D583 PolarHBondContact O-N 2.86Å; Q580-D583 PolarHBondContact O-N 3.01Å; D583-P585 WeakPolarHBondContact O-CD 3.08Å |
| 584 | D | 81.4 | Confident | 81.4 | Confident | 76 Ų | 76 | 76 Ų | 76 | 41% | 0.406 | 42% | 0.418 | S | S | . | . | trans | -113.4 | 96 | 174.8 | -171.8 | -9.7 | 0 | 0 | 0 | 112 | Q580 S586 S587 | Q580-D584 PolarHBondContact O-N 2.93Å; Q580-D584 VanDerWaalsContact O-N 3.12Å; D584-S586 VanDerWaalsContact CG-OG 3.31Å; D584-S586 PolarHBondContact O-N 2.85Å; D584-S586 WeakPolarHBondContact OD1-CB 3.35Å; D584-S586 PolarHBondContact OD1-N 2.98Å; D584-S586 PolarHBondContact OD1-OG 2.78Å; D584-S586 PolarHBondContact OD2-OG 3.3Å; D584-S587 WeakPolarHBondContact O-CB 3.22Å; D584-S587 PolarHBondContact O-N 3.35Å; D584-S587 PolarHBondContact O-OG 2.86Å | ||
| 585 | P | 74.8 | Confident | 81.3 | Confident | 103 Ų | 103 | 75.6 Ų | 75.6 | 67% | 0.669 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -58.6 | -18.8 | 178.7 | -24.5 | 34 | 0 | 0 | 0 | 114.7 | D583 S587 | D583-P585 WeakPolarHBondContact O-CD 3.08Å; P585-S587 PolarHBondContact O-N 3.42Å |
| 586 | S | 78.3 | Confident | 81 | Confident | 105 Ų | 105 | 76.8 Ų | 76.8 | 73% | 0.734 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -76.9 | -7 | 178.5 | 73.3 | 0 | 0 | 0 | 0 | 113.8 | D584 | D584-S586 VanDerWaalsContact CG-OG 3.31Å; D584-S586 PolarHBondContact O-N 2.85Å; D584-S586 WeakPolarHBondContact OD1-CB 3.35Å; D584-S586 PolarHBondContact OD1-N 2.98Å; D584-S586 PolarHBondContact OD1-OG 2.78Å; D584-S586 PolarHBondContact OD2-OG 3.3Å |
| 587 | S | 74.6 | Confident | 80.7 | Confident | 52 Ų | 52 | 76.7 Ų | 76.7 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -91.4 | -7.8 | 179.8 | 72.1 | 0 | 0 | 0 | 0 | 114.9 | A581 D584 P585 | A581-S587 WeakPolarHBondContact CA-OG 3.39Å; A581-S587 PolarHBondContact O-OG 3.22Å; D584-S587 WeakPolarHBondContact O-CB 3.22Å; D584-S587 PolarHBondContact O-N 3.35Å; D584-S587 PolarHBondContact O-OG 2.86Å; P585-S587 PolarHBondContact O-N 3.42Å |
| 588 | I | 81.7 | Confident | 80.2 | Confident | 25 Ų | 25 | 78.5 Ų | 78.5 | 13% | 0.128 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -100 | 120 | -174.1 | -55 | 176.4 | 0 | 0 | 0 | 109.1 | I626 | I588-I626 HydrophobicContact CD1-CG2 4.03Å; I588-I626 HydrophobicContact CG2-CG2 4.45Å |
| 589 | P | 82.2 | Confident | 79.7 | Confident | 57 Ų | 57 | 81.5 Ų | 81.5 | 37% | 0.37 | 46% | 0.456 | S | S | . | . | trans | -73.2 | 129.8 | 177.4 | -15.2 | 29.8 | 0 | 0 | 0 | 112.1 | V592 S627 | P589-V592 HydrophobicContact CB-CG2 3.94Å; P589-S627 WeakPolarHBondContact O-CB 3.44Å; P589-S627 PolarHBondContact O-OG 3.15Å | ||
| 590 | D | 76.5 | Confident | 78.8 | Confident | 164 Ų | 164 | 87.4 Ų | 87.4 | 88% | 0.877 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -75.1 | -37.4 | 178.4 | -70.1 | -36.4 | 0 | 0 | 0 | 113.2 | V592 | D590-V592 PolarHBondContact O-N 3.34Š|
| 591 | D | 77.6 | Confident | 78.3 | Confident | 167 Ų | 167 | 82.8 Ų | 82.8 | 89% | 0.893 | 46% | 0.462 | S | S | * | . | trans | -94.6 | 89 | -178.9 | -88.2 | -36.4 | 0 | 0 | 0 | 111.5 | ||||
| 592 | V | 79.1 | Confident | 77.4 | Confident | 37 Ų | 37 | 90.4 Ų | 90.4 | 22% | 0.224 | 50% | 0.496 | C | S | . | . | trans | -133.7 | 126.8 | 170.3 | -166.7 | 0 | 0 | 0 | 0 | 111.8 | P589 D590 P594 E624 S627 L628 | P589-V592 HydrophobicContact CB-CG2 3.94Å; D590-V592 PolarHBondContact O-N 3.34Å; V592-P594 VanDerWaalsContact O-CD 3.31Å; V592-P594 WeakPolarHBondContact O-CD 3.37Å; V592-E624 HydrophobicContact CG1-CG 4.5Å; V592-S627 VanDerWaalsContact CG2-OG 3.26Å; V592-S627 WeakPolarHBondContact CG2-OG 3.38Å; V592-L628 HydrophobicContact CG1-CD2 3.48Å; V592-L628 VanDerWaalsContact CG1-CD2 3.48Å; V592-L628 HydrophobicContact CG1-CG 3.81Å | ||
| 593 | V | 81.8 | Confident | 77.3 | Confident | 102 Ų | 102 | 89.2 Ų | 89.2 | 62% | 0.618 | 49% | 0.488 | S | S | * | . | trans | -86.3 | 110.1 | -178.9 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | L595 K612 | V593-L595 WeakPolarHBondContact CG1-O 3.01Å; V593-L595 PolarHBondContact O-N 3.49Å; V593-K612 PolarHBondContact O-NZ 3.1Å | ||
| 594 | P | 78.2 | Confident | 77.3 | Confident | 20 Ų | 20 | 88.8 Ų | 88.8 | 13% | 0.13 | 48% | 0.482 | C | S | . | . | trans | -64.1 | -39.5 | -174.7 | 24.9 | -34.6 | 0 | 0 | 0 | 112.5 | V592 K612 A631 L635 | V592-P594 VanDerWaalsContact O-CD 3.31Å; V592-P594 WeakPolarHBondContact O-CD 3.37Å; P594-K612 WeakPolarHBondContact O-CD 3.48Å; P594-K612 PolarHBondContact O-NZ 3.28Å; P594-A631 HydrophobicContact CB-CB 3.88Å; P594-A631 HydrophobicContact CG-CB 3.85Å; P594-L635 HydrophobicContact CB-CD1 3.94Å; P594-L635 HydrophobicContact CG-CD1 3.42Å; P594-L635 VanDerWaalsContact CG-CD1 3.42Å; P594-L635 HydrophobicContact CG-CG 4.42Å | ||
| 595 | L | 80.9 | Confident | 77.5 | Confident | 5 Ų | 5 | 89 Ų | 89 | 3% | 0.026 | 48% | 0.48 | C | S | . | . | trans | -150.1 | 150.8 | -178.3 | -155.1 | 70.2 | 0 | 0 | 0 | 111.7 | V593 F597 Y601 E605 A608 W636 | V593-L595 WeakPolarHBondContact CG1-O 3.01Å; V593-L595 PolarHBondContact O-N 3.49Å; L595-F597 HydrophobicContact CB-CE2 4.27Å; L595-F597 HydrophobicContact CB-CZ 4.23Å; L595-F597 HydrophobicContact CD2-CD1 4.44Å; L595-F597 HydrophobicContact CD2-CE1 4.13Å; L595-Y601 HydrophobicContact CD1-CE1 4.4Å; L595-Y601 HydrophobicContact CD1-CE2 3.88Å; L595-Y601 HydrophobicContact CD2-CD2 3.97Å; L595-Y601 HydrophobicContact CD2-CE2 3.45Å; L595-Y601 VanDerWaalsContact CD2-CE2 3.45Å; L595-Y601 HydrophobicContact CG-CD2 4.44Å; L595-Y601 HydrophobicContact CG-CE2 3.49Å; L595-Y601 VanDerWaalsContact CG-CE2 3.49Å; L595-E605 HydrophobicContact CD2-CB 3.64Å; L595-E605 HydrophobicContact CD2-CG 4.01Å; L595-A608 HydrophobicContact CD1-CB 3.45Å; L595-A608 VanDerWaalsContact CD1-CB 3.45Å; L595-W636 HydrophobicContact CD2-CH2 4.2Å | ||
| 596 | D | 78.8 | Confident | 78.1 | Confident | 75 Ų | 75 | 86.3 Ų | 86.3 | 40% | 0.401 | 46% | 0.459 | S | S | . | . | trans | -98.2 | 96.3 | 172 | -174.8 | -9.5 | 0 | 0 | 0 | 109.2 | T598 V599 Y601 | D596-T598 VanDerWaalsContact CG-OG1 3.28Å; D596-T598 PolarHBondContact O-N 3.46Å; D596-T598 WeakPolarHBondContact OD1-CB 3.46Å; D596-T598 WeakPolarHBondContact OD1-CG2 3.45Å; D596-T598 PolarHBondContact OD1-N 2.99Å; D596-T598 PolarHBondContact OD1-OG1 3.5Å; D596-T598 PolarHBondContact OD2-OG1 3.39Å; D596-V599 HydrophobicContact CB-CG2 4.26Å; D596-V599 PolarHBondContact O-N 3Å; D596-V599 VanDerWaalsContact O-N 3.12Å; D596-Y601 PolarHBondContact N-OH 3.31Å; D596-Y601 WeakPolarHBondContact O-CE2 3.29Å; D596-Y601 PolarHBondContact O-OH 2.95Å; D596-Y601 VanDerWaalsContact O-OH 3.1Å | ||
| 597 | F | 77.5 | Confident | 78.4 | Confident | 112 Ų | 112 | 82.4 Ų | 82.4 | 49% | 0.491 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 0.8 | 179.9 | -63.1 | -80.7 | 0 | 0 | 0 | 114.1 | L595 L635 | L595-F597 HydrophobicContact CB-CE2 4.27Å; L595-F597 HydrophobicContact CB-CZ 4.23Å; L595-F597 HydrophobicContact CD2-CD1 4.44Å; L595-F597 HydrophobicContact CD2-CE1 4.13Å; F597-L635 HydrophobicContact CE2-CD1 4.25Å; F597-L635 HydrophobicContact CE2-CD2 4.42Å; F597-L635 HydrophobicContact CZ-CD1 3.88Å; F597-L635 HydrophobicContact CZ-CD2 4.12Å |
| 598 | T | 75.9 | Confident | 79 | Confident | 121 Ų | 121 | 80 Ų | 80 | 74% | 0.742 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -12.3 | 170 | 71.7 | 0 | 0 | 0 | 0 | 113.1 | D596 | D596-T598 VanDerWaalsContact CG-OG1 3.28Å; D596-T598 PolarHBondContact O-N 3.46Å; D596-T598 WeakPolarHBondContact OD1-CB 3.46Å; D596-T598 WeakPolarHBondContact OD1-CG2 3.45Å; D596-T598 PolarHBondContact OD1-N 2.99Å; D596-T598 PolarHBondContact OD1-OG1 3.5Å; D596-T598 PolarHBondContact OD2-OG1 3.39Å |
| 599 | V | 74 | Confident | 79.3 | Confident | 62 Ų | 62 | 78.8 Ų | 78.8 | 38% | 0.376 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -94.3 | 120.9 | 178.3 | -178 | 0 | 0 | 0 | 0 | 110.2 | D596 Y601 | D596-V599 HydrophobicContact CB-CG2 4.26Å; D596-V599 PolarHBondContact O-N 3Å; D596-V599 VanDerWaalsContact O-N 3.12Å; V599-Y601 HydrophobicContact CB-CE1 4.15Å; V599-Y601 HydrophobicContact CB-CE2 4.29Å; V599-Y601 HydrophobicContact CG1-CD1 4.24Å; V599-Y601 HydrophobicContact CG1-CE1 3.96Å; V599-Y601 VanDerWaalsContact O-CD2 3.24Å; V599-Y601 WeakPolarHBondContact O-CD2 3.38Å; V599-Y601 WeakPolarHBondContact O-CE2 3.29Å; V599-Y601 PolarHBondContact O-N 2.87Å |
| 600 | E | 68.3 | Low | 79.7 | Confident | 193 Ų | 193 | 76.7 Ų | 76.7 | 90% | 0.902 | 39% | 0.393 | S | S | * | . | trans | -69.9 | 90.3 | 171.8 | -72.7 | -168.2 | 163.7 | 0 | 0 | 111.1 | Q602 | E600-Q602 PolarHBondContact O-N 3.31Š| ||
| 601 | Y | 73.1 | Confident | 80.3 | Confident | 48 Ų | 48 | 69 Ų | 69 | 19% | 0.188 | 35% | 0.351 | C | S | . | . | trans | -64.9 | 128.9 | 175 | -59.7 | -70.6 | 0 | 0 | 0 | 111.2 | L595 D596 V599 F603 E605 A608 L665 | L595-Y601 HydrophobicContact CD1-CE1 4.4Å; L595-Y601 HydrophobicContact CD1-CE2 3.88Å; L595-Y601 HydrophobicContact CD2-CD2 3.97Å; L595-Y601 HydrophobicContact CD2-CE2 3.45Å; L595-Y601 VanDerWaalsContact CD2-CE2 3.45Å; L595-Y601 HydrophobicContact CG-CD2 4.44Å; L595-Y601 HydrophobicContact CG-CE2 3.49Å; L595-Y601 VanDerWaalsContact CG-CE2 3.49Å; D596-Y601 PolarHBondContact N-OH 3.31Å; D596-Y601 WeakPolarHBondContact O-CE2 3.29Å; D596-Y601 PolarHBondContact O-OH 2.95Å; D596-Y601 VanDerWaalsContact O-OH 3.1Å; V599-Y601 HydrophobicContact CB-CE1 4.15Å; V599-Y601 HydrophobicContact CB-CE2 4.29Å; V599-Y601 HydrophobicContact CG1-CD1 4.24Å; V599-Y601 HydrophobicContact CG1-CE1 3.96Å; V599-Y601 VanDerWaalsContact O-CD2 3.24Å; V599-Y601 WeakPolarHBondContact O-CD2 3.38Å; V599-Y601 WeakPolarHBondContact O-CE2 3.29Å; V599-Y601 PolarHBondContact O-N 2.87Å; Y601-F603 WeakPolarHBondContact CB-O 3.2Å; Y601-F603 PolarHBondContact O-N 3.21Å; Y601-F603 VanDerWaalsContact O-N 3.07Å; Y601-E605 HydrophobicContact CD2-CG 4.39Å; Y601-A608 HydrophobicContact CD1-CB 4.05Å; Y601-A608 HydrophobicContact CE1-CB 4.12Å; Y601-A608 HydrophobicContact CG-CB 4.37Å; Y601-L665 HydrophobicContact CD1-CD2 4.1Å; Y601-L665 HydrophobicContact CE1-CD2 3.71Å | ||
| 602 | Q | 66.3 | Low | 80.8 | Confident | 167 Ų | 167 | 64.2 Ų | 64.2 | 78% | 0.78 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -75.7 | 9.7 | 178.5 | -63.2 | -171 | 8.2 | 0 | 0 | 113.8 | E600 M664 | E600-Q602 PolarHBondContact O-N 3.31Å; Q602-M664 HydrophobicContact CB-CE 4.28Å; Q602-M664 VanDerWaalsContact OE1-CE 3.29Å |
| 603 | F | 79.6 | Confident | 81.3 | Confident | 39 Ų | 39 | 62.5 Ų | 62.5 | 17% | 0.171 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -156.5 | 171.8 | -174.5 | 56.7 | -91.2 | 0 | 0 | 0 | 109.3 | Y601 E605 T607 A608 I611 E661 L665 | Y601-F603 WeakPolarHBondContact CB-O 3.2Å; Y601-F603 PolarHBondContact O-N 3.21Å; Y601-F603 VanDerWaalsContact O-N 3.07Å; F603-E605 PolarHBondContact O-N 3.11Å; F603-T607 HydrophobicContact CD2-CG2 4.01Å; F603-T607 HydrophobicContact CE2-CG2 4.12Å; F603-A608 HydrophobicContact CE2-CB 3.73Å; F603-A608 HydrophobicContact CZ-CB 4.21Å; F603-I611 HydrophobicContact CE2-CD1 4.22Å; F603-I611 HydrophobicContact CZ-CD1 4.39Å; F603-E661 HydrophobicContact CB-CG 4.08Å; F603-E661 HydrophobicContact CD1-CB 3.89Å; F603-E661 HydrophobicContact CD1-CG 3.79Å; F603-E661 HydrophobicContact CD2-CB 4.17Å; F603-E661 HydrophobicContact CD2-CG 4.04Å; F603-E661 HydrophobicContact CE1-CB 3.76Å; F603-E661 HydrophobicContact CE1-CG 4.2Å; F603-E661 HydrophobicContact CE2-CB 4.01Å; F603-E661 HydrophobicContact CE2-CG 4.4Å; F603-E661 HydrophobicContact CG-CB 4.1Å; F603-E661 HydrophobicContact CG-CG 3.7Å; F603-E661 HydrophobicContact CZ-CB 3.81Å; F603-E661 HydrophobicContact CZ-CG 4.48Å; F603-L665 HydrophobicContact CE2-CD1 4.31Å; F603-L665 HydrophobicContact CZ-CD1 3.72Å; F603-L665 HydrophobicContact CZ-CD2 4.47Å; F603-L665 HydrophobicContact CZ-CG 3.83Å |
| 604 | E | 83.3 | Confident | 81.7 | Confident | 134 Ų | 134 | 57.9 Ų | 57.9 | 63% | 0.626 | 28% | 0.284 | S | S | * | . | trans | -57.1 | 129 | -173.6 | -69 | 174 | -178 | 0 | 0 | 113.1 | Q606 T607 A608 | E604-Q606 PolarHBondContact O-N 2.87Å; E604-Q606 VanDerWaalsContact O-N 3.16Å; E604-T607 WeakPolarHBondContact O-CA 3.4Å; E604-T607 VanDerWaalsContact O-CB 3.29Å; E604-T607 WeakPolarHBondContact O-CB 3.43Å; E604-T607 PolarHBondContact O-N 3.16Å; E604-A608 PolarHBondContact O-N 2.85Å | ||
| 605 | E | 85.2 | Confident | 82.1 | Confident | 81 Ų | 81 | 58.8 Ų | 58.8 | 38% | 0.379 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -53.8 | -35.4 | -179.6 | -66 | 175.8 | 170.1 | 0 | 0 | 112.8 | L595 Y601 F603 T607 A608 G609 W636 | L595-E605 HydrophobicContact CD2-CB 3.64Å; L595-E605 HydrophobicContact CD2-CG 4.01Å; Y601-E605 HydrophobicContact CD2-CG 4.39Å; F603-E605 PolarHBondContact O-N 3.11Å; E605-T607 VanDerWaalsContact C-N 3.25Å; E605-T607 PolarHBondContact O-N 3.38Å; E605-A608 PolarHBondContact O-N 3.23Å; E605-A608 VanDerWaalsContact O-N 3.17Å; E605-G609 PolarHBondContact O-N 3.18Å; E605-W636 HydrophobicContact CB-CH2 4.29Å; E605-W636 HydrophobicContact CB-CZ2 3.72Å |
| 606 | Q | 86.9 | Confident | 82.5 | Confident | 47 Ų | 47 | 58.8 Ų | 58.8 | 22% | 0.22 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.6 | -37.7 | 174.9 | -61.3 | 84.9 | 4.3 | 0 | 0 | 111.8 | E604 G609 K610 W636 F642 | E604-Q606 PolarHBondContact O-N 2.87Å; E604-Q606 VanDerWaalsContact O-N 3.16Å; Q606-G609 PolarHBondContact O-N 3.08Å; Q606-K610 WeakPolarHBondContact O-CG 3.44Å; Q606-K610 PolarHBondContact O-N 3.43Å; Q606-W636 HydrophobicContact CG-CB 4.45Å; Q606-W636 HydrophobicContact CG-CD2 3.7Å; Q606-W636 HydrophobicContact CG-CE3 4.21Å; Q606-W636 HydrophobicContact CG-CG 3.79Å; Q606-W636 HydrophobicContact CG-CZ2 4.48Å; Q606-F642 HydrophobicContact CB-CE2 4.18Å; Q606-F642 HydrophobicContact CG-CE2 4.47Å |
| 607 | T | 85.9 | Confident | 83 | Confident | 22 Ų | 22 | 55.2 Ų | 55.2 | 14% | 0.135 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70 | -36 | 178.7 | -62.6 | 0 | 0 | 0 | 0 | 110.9 | F603 E604 E605 K610 I611 Y659 | F603-T607 HydrophobicContact CD2-CG2 4.01Å; F603-T607 HydrophobicContact CE2-CG2 4.12Å; E604-T607 WeakPolarHBondContact O-CA 3.4Å; E604-T607 VanDerWaalsContact O-CB 3.29Å; E604-T607 WeakPolarHBondContact O-CB 3.43Å; E604-T607 PolarHBondContact O-N 3.16Å; E605-T607 VanDerWaalsContact C-N 3.25Å; E605-T607 PolarHBondContact O-N 3.38Å; T607-K610 PolarHBondContact O-N 2.96Å; T607-I611 HydrophobicContact CG2-CD1 4.01Å; T607-I611 VanDerWaalsContact O-CG1 3.27Å; T607-I611 WeakPolarHBondContact O-CG1 3.3Å; T607-I611 PolarHBondContact O-N 2.92Å; T607-Y659 HydrophobicContact CG2-CD1 3.97Å |
| 608 | A | 86.2 | Confident | 83.3 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.3 | -39 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L595 Y601 F603 E604 E605 I611 K612 L665 | L595-A608 HydrophobicContact CD1-CB 3.45Å; L595-A608 VanDerWaalsContact CD1-CB 3.45Å; Y601-A608 HydrophobicContact CD1-CB 4.05Å; Y601-A608 HydrophobicContact CE1-CB 4.12Å; Y601-A608 HydrophobicContact CG-CB 4.37Å; F603-A608 HydrophobicContact CE2-CB 3.73Å; F603-A608 HydrophobicContact CZ-CB 4.21Å; E604-A608 PolarHBondContact O-N 2.85Å; E605-A608 PolarHBondContact O-N 3.23Å; E605-A608 VanDerWaalsContact O-N 3.17Å; A608-I611 PolarHBondContact O-N 3.17Å; A608-K612 PolarHBondContact O-N 3.31Å; A608-K612 VanDerWaalsContact O-N 3.07Å; A608-L665 HydrophobicContact CB-CD1 4.12Å |
| 609 | G | 88.7 | Confident | 83.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E605 Q606 I611 K612 I613 | E605-G609 PolarHBondContact O-N 3.18Å; Q606-G609 PolarHBondContact O-N 3.08Å; G609-I611 PolarHBondContact O-N 2.82Å; G609-K612 PolarHBondContact O-N 3.22Å; G609-I613 WeakPolarHBondContact O-CG1 3.38Å; G609-I613 PolarHBondContact O-N 2.97Å; G609-I613 VanDerWaalsContact O-N 3.07Å |
| 610 | K | 90.9 | Very high | 84.2 | Confident | 14 Ų | 14 | 54.2 Ų | 54.2 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 173.7 | -72.4 | 176 | 173.2 | -163.3 | 0 | 112.5 | Q606 T607 I613 Q614 T641 F642 I654 E657 Y659 | Q606-K610 WeakPolarHBondContact O-CG 3.44Å; Q606-K610 PolarHBondContact O-N 3.43Å; T607-K610 PolarHBondContact O-N 2.96Å; K610-I613 PolarHBondContact O-N 3.32Å; K610-Q614 WeakPolarHBondContact O-CB 3.47Å; K610-Q614 PolarHBondContact O-N 3.4Å; K610-T641 WeakPolarHBondContact CE-OG1 3.2Å; K610-T641 PolarHBondContact NZ-OG1 3.15Å; K610-F642 HydrophobicContact CG-CE1 4.21Å; K610-F642 HydrophobicContact CG-CZ 3.79Å; K610-I654 HydrophobicContact CB-CG2 4.4Å; K610-I654 HydrophobicContact CG-CG1 4.38Å; K610-I654 WeakPolarHBondContact O-CG2 3.27Å; K610-E657 IonicContact NZ-OE1 2.76Å; K610-E657 PolarHBondContact NZ-OE1 3.27Å; K610-E657 IonicContact NZ-OE2 3.06Å; K610-E657 PolarHBondContact NZ-OE2 3.44Å; K610-Y659 HydrophobicContact CB-CE1 4.05Å; K610-Y659 HydrophobicContact CB-CE2 4.12Å; K610-Y659 HydrophobicContact CD-CE1 3.72Å; K610-Y659 WeakPolarHBondContact CD-OH 3.29Å |
| 611 | I | 87.5 | Confident | 85 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.3 | -42.2 | 178.5 | -69 | 162.6 | 0 | 0 | 0 | 110.8 | F603 T607 A608 G609 I613 Q614 N615 Y659 E661 R662 L665 | F603-I611 HydrophobicContact CE2-CD1 4.22Å; F603-I611 HydrophobicContact CZ-CD1 4.39Å; T607-I611 HydrophobicContact CG2-CD1 4.01Å; T607-I611 VanDerWaalsContact O-CG1 3.27Å; T607-I611 WeakPolarHBondContact O-CG1 3.3Å; T607-I611 PolarHBondContact O-N 2.92Å; A608-I611 PolarHBondContact O-N 3.17Å; G609-I611 PolarHBondContact O-N 2.82Å; I611-I613 PolarHBondContact O-N 2.92Å; I611-Q614 PolarHBondContact O-N 2.92Å; I611-N615 PolarHBondContact O-N 2.94Å; I611-N615 PolarHBondContact O-OD1 3.14Å; I611-Y659 HydrophobicContact CD1-CG 4.23Å; I611-Y659 HydrophobicContact CG1-CD1 4.44Å; I611-Y659 HydrophobicContact CG1-CD2 3.62Å; I611-Y659 HydrophobicContact CG1-CE2 4.47Å; I611-Y659 HydrophobicContact CG1-CG 3.61Å; I611-E661 HydrophobicContact CD1-CB 4Å; I611-R662 HydrophobicContact CG2-CB 4.43Å; I611-L665 HydrophobicContact CB-CD1 3.82Å; I611-L665 HydrophobicContact CD1-CD1 3.64Å; I611-L665 HydrophobicContact CG1-CD1 4.34Å; I611-L665 HydrophobicContact CG2-CD1 3.68Å |
| 612 | K | 88 | Confident | 85.6 | Confident | 68 Ų | 68 | 47.3 Ų | 47.3 | 30% | 0.296 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.1 | -47.6 | 171.7 | -99.8 | 178.6 | 169 | -173.3 | 0 | 112.5 | V593 P594 A608 G609 Q614 N615 A616 L628 | V593-K612 PolarHBondContact O-NZ 3.1Å; P594-K612 WeakPolarHBondContact O-CD 3.48Å; P594-K612 PolarHBondContact O-NZ 3.28Å; A608-K612 PolarHBondContact O-N 3.31Å; A608-K612 VanDerWaalsContact O-N 3.07Å; G609-K612 PolarHBondContact O-N 3.22Å; K612-Q614 VanDerWaalsContact C-N 3.34Å; K612-Q614 PolarHBondContact O-N 3.36Å; K612-N615 PolarHBondContact O-N 3.44Å; K612-A616 PolarHBondContact O-N 2.91Å; K612-L628 HydrophobicContact CB-CD1 4.47Å |
| 613 | I | 90.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.6 | -42.5 | 176.1 | -66.7 | 161.4 | 0 | 0 | 0 | 110.8 | G609 K610 I611 N615 A616 L617 L628 L629 C632 F642 L651 I654 | G609-I613 WeakPolarHBondContact O-CG1 3.38Å; G609-I613 PolarHBondContact O-N 2.97Å; G609-I613 VanDerWaalsContact O-N 3.07Å; K610-I613 PolarHBondContact O-N 3.32Å; I611-I613 PolarHBondContact O-N 2.92Å; I613-N615 VanDerWaalsContact C-N 3.33Å; I613-N615 PolarHBondContact O-N 2.97Å; I613-A616 PolarHBondContact O-N 3.34Å; I613-L617 HydrophobicContact CG2-CD1 4.1Å; I613-L617 WeakPolarHBondContact O-CG 3.35Å; I613-L617 PolarHBondContact O-N 2.75Å; I613-L628 HydrophobicContact CD1-CB 4.46Å; I613-L628 HydrophobicContact CG1-CB 3.61Å; I613-L628 HydrophobicContact CG1-CD1 4.49Å; I613-L629 HydrophobicContact CD1-CB 4.43Å; I613-L629 HydrophobicContact CD1-CD1 4.27Å; I613-C632 HydrophobicContact CD1-CB 4.31Å; I613-F642 HydrophobicContact CD1-CE1 3.81Å; I613-L651 HydrophobicContact CG2-CD2 3.53Å; I613-I654 HydrophobicContact CB-CD1 4.4Å; I613-I654 HydrophobicContact CB-CG2 4.1Å; I613-I654 HydrophobicContact CD1-CD1 3.98Å; I613-I654 HydrophobicContact CG2-CB 4.43Å; I613-I654 HydrophobicContact CG2-CD1 3.94Å; I613-I654 HydrophobicContact CG2-CG2 3.86Å |
| 614 | Q | 89.8 | Confident | 87 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 2% | 0.023 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.5 | -35.8 | 177.7 | -161.3 | -176.5 | 62 | 0 | 0 | 112.1 | K610 I611 K612 L617 L618 I654 F655 E657 Y659 | K610-Q614 WeakPolarHBondContact O-CB 3.47Å; K610-Q614 PolarHBondContact O-N 3.4Å; I611-Q614 PolarHBondContact O-N 2.92Å; K612-Q614 VanDerWaalsContact C-N 3.34Å; K612-Q614 PolarHBondContact O-N 3.36Å; Q614-L617 PolarHBondContact O-N 3Å; Q614-L618 HydrophobicContact CG-CD1 4.49Å; Q614-L618 VanDerWaalsContact O-CG 3.31Å; Q614-L618 WeakPolarHBondContact O-CG 3.27Å; Q614-L618 PolarHBondContact O-N 3.18Å; Q614-I654 HydrophobicContact CB-CG2 4Å; Q614-I654 PolarHBondContact NE2-O 3.27Å; Q614-F655 PolarHBondContact NE2-O 2.93Å; Q614-F655 VanDerWaalsContact NE2-O 3.13Å; Q614-E657 PolarHBondContact NE2-O 3.48Å; Q614-Y659 HydrophobicContact CB-CE2 4.18Å; Q614-Y659 HydrophobicContact CG-CE2 4.49Å |
| 615 | N | 87.5 | Confident | 87.3 | Confident | 40 Ų | 40 | 34.8 Ų | 34.8 | 21% | 0.214 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.3 | -47.1 | 173.8 | -73.1 | 13.4 | 0 | 0 | 0 | 110.9 | I611 K612 I613 L617 L618 E619 R662 | I611-N615 PolarHBondContact O-N 2.94Å; I611-N615 PolarHBondContact O-OD1 3.14Å; K612-N615 PolarHBondContact O-N 3.44Å; I613-N615 VanDerWaalsContact C-N 3.33Å; I613-N615 PolarHBondContact O-N 2.97Å; N615-L617 VanDerWaalsContact C-N 3.28Å; N615-L617 PolarHBondContact O-N 3.4Å; N615-L618 PolarHBondContact O-N 2.93Å; N615-L618 VanDerWaalsContact O-N 3.08Å; N615-E619 WeakPolarHBondContact O-CB 3.38Å; N615-E619 WeakPolarHBondContact O-CG 3.41Å; N615-E619 PolarHBondContact O-N 3.47Å; N615-R662 VanDerWaalsContact OD1-CZ 3.3Å; N615-R662 PolarHBondContact OD1-NE 3.28Å; N615-R662 VanDerWaalsContact OD1-NE 3.1Å; N615-R662 PolarHBondContact OD1-NH2 2.96Å |
| 616 | A | 88.9 | Confident | 87.5 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 3% | 0.033 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59 | -36.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | K612 I613 A620 K621 A625 L628 | K612-A616 PolarHBondContact O-N 2.91Å; I613-A616 PolarHBondContact O-N 3.34Å; A616-A620 PolarHBondContact O-N 3.27Å; A616-K621 PolarHBondContact O-N 2.85Å; A616-A625 HydrophobicContact CB-CB 4.06Å; A616-L628 HydrophobicContact CB-CD1 3.94Å |
| 617 | L | 88.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.9 | -40 | 173.3 | -68 | 168.5 | 0 | 0 | 0 | 112.6 | L574 L578 I613 Q614 N615 E619 A620 A625 L651 F655 | L574-L617 WeakPolarHBondContact CD1-O 3.47Å; L574-L617 HydrophobicContact CD2-CB 4.29Å; L574-L617 HydrophobicContact CD2-CD2 3.76Å; L574-L617 WeakPolarHBondContact CD2-O 3.49Å; L578-L617 HydrophobicContact CD1-CD2 4.07Å; L578-L617 HydrophobicContact CD2-CD2 4.34Å; I613-L617 HydrophobicContact CG2-CD1 4.1Å; I613-L617 WeakPolarHBondContact O-CG 3.35Å; I613-L617 PolarHBondContact O-N 2.75Å; Q614-L617 PolarHBondContact O-N 3Å; N615-L617 VanDerWaalsContact C-N 3.28Å; N615-L617 PolarHBondContact O-N 3.4Å; L617-E619 VanDerWaalsContact C-N 3.33Å; L617-A620 PolarHBondContact O-N 2.92Å; L617-A625 HydrophobicContact CD2-CB 3.59Å; L617-A625 HydrophobicContact CG-CB 3.82Å; L617-L651 HydrophobicContact CD1-CB 4.21Å; L617-L651 HydrophobicContact CD1-CD2 4.15Å; L617-L651 HydrophobicContact CD2-CB 4.44Å; L617-L651 HydrophobicContact CD2-CD2 4.39Å; L617-F655 HydrophobicContact CB-CD2 3.82Å; L617-F655 HydrophobicContact CB-CE2 4.31Å; L617-F655 HydrophobicContact CD1-CB 4.14Å; L617-F655 HydrophobicContact CD1-CD2 4.25Å |
| 618 | L | 85.1 | Confident | 87.8 | Confident | 106 Ų | 106 | 28.4 Ų | 28.4 | 56% | 0.555 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -70.4 | -27.9 | 176.3 | -71.9 | 172.6 | 0 | 0 | 0 | 113 | Q614 N615 A620 F655 R662 | Q614-L618 HydrophobicContact CG-CD1 4.49Å; Q614-L618 VanDerWaalsContact O-CG 3.31Å; Q614-L618 WeakPolarHBondContact O-CG 3.27Å; Q614-L618 PolarHBondContact O-N 3.18Å; N615-L618 PolarHBondContact O-N 2.93Å; N615-L618 VanDerWaalsContact O-N 3.08Å; L618-A620 PolarHBondContact O-N 3.44Å; L618-F655 HydrophobicContact CD2-CE2 3.88Å; L618-F655 HydrophobicContact CD2-CZ 4.33Å; L618-F655 HydrophobicContact CG-CE2 4.46Å; L618-R662 VanDerWaalsContact CD1-NH2 3.35Å |
| 619 | E | 84.7 | Confident | 88 | Confident | 112 Ų | 112 | 28.5 Ų | 28.5 | 52% | 0.523 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 3.1 | 172.1 | -70.5 | 176.9 | -159.8 | 0 | 0 | 113.5 | N615 L617 K621 | N615-E619 WeakPolarHBondContact O-CB 3.38Å; N615-E619 WeakPolarHBondContact O-CG 3.41Å; N615-E619 PolarHBondContact O-N 3.47Å; L617-E619 VanDerWaalsContact C-N 3.33Å; E619-K621 VanDerWaalsContact C-N 3.27Å; E619-K621 HydrophobicContact CB-CD 4.36Å; E619-K621 HydrophobicContact CB-CG 4.1Å; E619-K621 PolarHBondContact O-N 2.95Å; E619-K621 WeakPolarHBondContact OE2-CE 3.4Å; E619-K621 IonicContact OE2-NZ 2.65Å; E619-K621 PolarHBondContact OE2-NZ 3.39Å |
| 620 | A | 82.6 | Confident | 88.1 | Confident | 57 Ų | 57 | 33.1 Ų | 33.1 | 47% | 0.471 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 31.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A616 L617 L618 A622 | A616-A620 PolarHBondContact O-N 3.27Å; L617-A620 PolarHBondContact O-N 2.92Å; L618-A620 PolarHBondContact O-N 3.44Å; A620-A622 PolarHBondContact O-N 3.16Å |
| 621 | K | 85.9 | Confident | 88 | Confident | 85 Ų | 85 | 33.5 Ų | 33.5 | 37% | 0.37 | 18% | 0.175 | S | C | . | . | trans | -98.1 | 74.6 | 178.2 | -60.5 | -175.8 | -170.8 | 156.5 | 0 | 111.6 | A616 E619 G623 E624 A625 | A616-K621 PolarHBondContact O-N 2.85Å; E619-K621 VanDerWaalsContact C-N 3.27Å; E619-K621 HydrophobicContact CB-CD 4.36Å; E619-K621 HydrophobicContact CB-CG 4.1Å; E619-K621 PolarHBondContact O-N 2.95Å; E619-K621 WeakPolarHBondContact OE2-CE 3.4Å; E619-K621 IonicContact OE2-NZ 2.65Å; E619-K621 PolarHBondContact OE2-NZ 3.39Å; K621-G623 PolarHBondContact O-N 2.98Å; K621-E624 HydrophobicContact CB-CB 4.02Å; K621-E624 HydrophobicContact CD-CB 4.49Å; K621-E624 WeakPolarHBondContact CD-OE2 3.41Å; K621-E624 IonicContact NZ-OE2 3.8Å; K621-E624 PolarHBondContact NZ-OE2 3.35Å; K621-E624 VanDerWaalsContact NZ-OE2 3.08Å; K621-E624 PolarHBondContact O-N 2.9Å; K621-A625 PolarHBondContact O-N 3.17Å | ||
| 622 | A | 86.2 | Confident | 88.1 | Confident | 11 Ų | 11 | 33.5 Ų | 33.5 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -50.6 | -47.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E577 L578 A581 A620 A625 I626 | E577-A622 HydrophobicContact CB-CB 4.25Å; L578-A622 HydrophobicContact CD2-CB 3.89Å; L578-A622 HydrophobicContact CG-CB 4.31Å; A581-A622 HydrophobicContact CB-CB 4Å; A620-A622 PolarHBondContact O-N 3.16Å; A622-A625 PolarHBondContact O-N 3.11Å; A622-I626 WeakPolarHBondContact O-CD1 3.38Å; A622-I626 WeakPolarHBondContact O-CG1 3.4Å; A622-I626 PolarHBondContact O-N 3.46Å; A622-I626 VanDerWaalsContact O-N 3.15Å |
| 623 | G | 87.4 | Confident | 88.1 | Confident | 11 Ų | 11 | 33.7 Ų | 33.7 | 11% | 0.113 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.2 | -41.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K621 I626 S627 | K621-G623 PolarHBondContact O-N 2.98Å; G623-I626 PolarHBondContact O-N 3.4Å; G623-S627 PolarHBondContact O-N 3.33Å; G623-S627 PolarHBondContact O-OG 3.18Å |
| 624 | E | 87.4 | Confident | 87.9 | Confident | 65 Ų | 65 | 41.9 Ų | 41.9 | 30% | 0.304 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.5 | -37 | 177.8 | -168.1 | 178.7 | 172.1 | 0 | 0 | 111.4 | V592 K621 I626 S627 L628 | V592-E624 HydrophobicContact CG1-CG 4.5Å; K621-E624 HydrophobicContact CB-CB 4.02Å; K621-E624 HydrophobicContact CD-CB 4.49Å; K621-E624 WeakPolarHBondContact CD-OE2 3.41Å; K621-E624 IonicContact NZ-OE2 3.8Å; K621-E624 PolarHBondContact NZ-OE2 3.35Å; K621-E624 VanDerWaalsContact NZ-OE2 3.08Å; K621-E624 PolarHBondContact O-N 2.9Å; E624-I626 VanDerWaalsContact C-N 3.33Å; E624-I626 PolarHBondContact O-N 2.79Å; E624-S627 PolarHBondContact O-N 2.79Å; E624-S627 PolarHBondContact O-OG 3.29Å; E624-L628 HydrophobicContact CG-CD1 4.16Å; E624-L628 HydrophobicContact CG-CG 4.49Å; E624-L628 VanDerWaalsContact O-CB 3.29Å; E624-L628 WeakPolarHBondContact O-CB 3.36Å; E624-L628 VanDerWaalsContact O-CG 3.26Å; E624-L628 WeakPolarHBondContact O-CG 3.43Å; E624-L628 PolarHBondContact O-N 3.26Å |
| 625 | A | 90.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.2 | -36.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A616 L617 K621 A622 L629 L651 | A616-A625 HydrophobicContact CB-CB 4.06Å; L617-A625 HydrophobicContact CD2-CB 3.59Å; L617-A625 HydrophobicContact CG-CB 3.82Å; K621-A625 PolarHBondContact O-N 3.17Å; A622-A625 PolarHBondContact O-N 3.11Å; A625-L629 WeakPolarHBondContact O-CB 3.47Å; A625-L629 PolarHBondContact O-N 3.03Å; A625-L651 HydrophobicContact CB-CD2 4.26Å |
| 626 | I | 88.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.6 | -44.9 | 176.5 | -66.8 | 162.7 | 0 | 0 | 0 | 111.1 | L578 A581 L582 I588 A622 G623 E624 L629 R630 L651 | L578-I626 HydrophobicContact CD2-CD1 3.91Å; L578-I626 HydrophobicContact CD2-CG1 3.9Å; A581-I626 HydrophobicContact CB-CD1 3.77Å; L582-I626 HydrophobicContact CD1-CD1 3.81Å; L582-I626 HydrophobicContact CD1-CG1 4.43Å; L582-I626 HydrophobicContact CG-CD1 4.26Å; I588-I626 HydrophobicContact CD1-CG2 4.03Å; I588-I626 HydrophobicContact CG2-CG2 4.45Å; A622-I626 WeakPolarHBondContact O-CD1 3.38Å; A622-I626 WeakPolarHBondContact O-CG1 3.4Å; A622-I626 PolarHBondContact O-N 3.46Å; A622-I626 VanDerWaalsContact O-N 3.15Å; G623-I626 PolarHBondContact O-N 3.4Å; E624-I626 VanDerWaalsContact C-N 3.33Å; E624-I626 PolarHBondContact O-N 2.79Å; I626-L629 PolarHBondContact O-N 2.66Å; I626-R630 WeakPolarHBondContact O-CG 3.46Å; I626-R630 PolarHBondContact O-N 2.57Å; I626-L651 HydrophobicContact CG1-CD1 4.02Å |
| 627 | S | 89.2 | Confident | 87.3 | Confident | 11 Ų | 11 | 48 Ų | 48 | 8% | 0.077 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68 | -40.4 | 178.2 | 57.6 | 0 | 0 | 0 | 0 | 112.4 | P589 V592 G623 E624 L629 R630 A631 | P589-S627 WeakPolarHBondContact O-CB 3.44Å; P589-S627 PolarHBondContact O-OG 3.15Å; V592-S627 VanDerWaalsContact CG2-OG 3.26Å; V592-S627 WeakPolarHBondContact CG2-OG 3.38Å; G623-S627 PolarHBondContact O-N 3.33Å; G623-S627 PolarHBondContact O-OG 3.18Å; E624-S627 PolarHBondContact O-N 2.79Å; E624-S627 PolarHBondContact O-OG 3.29Å; S627-L629 VanDerWaalsContact C-N 3.33Å; S627-L629 PolarHBondContact O-N 3.31Å; S627-R630 PolarHBondContact O-N 3.41Å; S627-A631 WeakPolarHBondContact O-CB 3.4Å; S627-A631 PolarHBondContact O-N 3.43Å |
| 628 | L | 90.2 | Very high | 86.8 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.5 | -42.4 | 170.7 | -76.3 | 169.4 | 0 | 0 | 0 | 112.2 | V592 K612 I613 A616 E624 R630 A631 C632 | V592-L628 HydrophobicContact CG1-CD2 3.48Å; V592-L628 VanDerWaalsContact CG1-CD2 3.48Å; V592-L628 HydrophobicContact CG1-CG 3.81Å; K612-L628 HydrophobicContact CB-CD1 4.47Å; I613-L628 HydrophobicContact CD1-CB 4.46Å; I613-L628 HydrophobicContact CG1-CB 3.61Å; I613-L628 HydrophobicContact CG1-CD1 4.49Å; A616-L628 HydrophobicContact CB-CD1 3.94Å; E624-L628 HydrophobicContact CG-CD1 4.16Å; E624-L628 HydrophobicContact CG-CG 4.49Å; E624-L628 VanDerWaalsContact O-CB 3.29Å; E624-L628 WeakPolarHBondContact O-CB 3.36Å; E624-L628 VanDerWaalsContact O-CG 3.26Å; E624-L628 WeakPolarHBondContact O-CG 3.43Å; E624-L628 PolarHBondContact O-N 3.26Å; L628-R630 VanDerWaalsContact C-N 3.34Å; L628-R630 PolarHBondContact O-N 3.11Å; L628-A631 PolarHBondContact O-N 3.49Å; L628-C632 WeakPolarHBondContact O-CB 3.28Å; L628-C632 PolarHBondContact O-N 2.98Å; L628-C632 PolarHBondContact O-SG 2.9Å |
| 629 | L | 90.4 | Very high | 86.6 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 176.1 | -176 | 77.6 | 0 | 0 | 0 | 111.5 | I613 A625 I626 S627 K633 F642 E647 L651 I654 | I613-L629 HydrophobicContact CD1-CB 4.43Å; I613-L629 HydrophobicContact CD1-CD1 4.27Å; A625-L629 WeakPolarHBondContact O-CB 3.47Å; A625-L629 PolarHBondContact O-N 3.03Å; I626-L629 PolarHBondContact O-N 2.66Å; S627-L629 VanDerWaalsContact C-N 3.33Å; S627-L629 PolarHBondContact O-N 3.31Å; L629-K633 VanDerWaalsContact O-CB 3.3Å; L629-K633 WeakPolarHBondContact O-CB 3.42Å; L629-K633 PolarHBondContact O-N 2.95Å; L629-F642 HydrophobicContact CD1-CD1 3.96Å; L629-F642 HydrophobicContact CD1-CE1 4.49Å; L629-E647 HydrophobicContact CD2-CB 3.87Å; L629-E647 HydrophobicContact CD2-CG 4.1Å; L629-L651 HydrophobicContact CB-CD2 4.16Å; L629-L651 HydrophobicContact CD1-CD2 4.35Å; L629-L651 HydrophobicContact CD2-CD2 4.25Å; L629-L651 HydrophobicContact CD2-CG 4.12Å; L629-L651 HydrophobicContact CG-CD2 4.49Å; L629-I654 HydrophobicContact CD1-CD1 3.97Å |
| 630 | R | 90.3 | Very high | 86.4 | Confident | 97 Ų | 97 | 57.6 Ų | 57.6 | 37% | 0.366 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 178.7 | -70.9 | 177.1 | -177 | 164.5 | 10.6 | 111.8 | I626 S627 L628 K633 E634 E647 | I626-R630 WeakPolarHBondContact O-CG 3.46Å; I626-R630 PolarHBondContact O-N 2.57Å; S627-R630 PolarHBondContact O-N 3.41Å; L628-R630 VanDerWaalsContact C-N 3.34Å; L628-R630 PolarHBondContact O-N 3.11Å; R630-K633 WeakPolarHBondContact O-CB 3.45Å; R630-K633 PolarHBondContact O-N 3.21Å; R630-K633 VanDerWaalsContact O-N 3.13Å; R630-E634 PolarHBondContact O-N 2.91Å; R630-E634 VanDerWaalsContact O-N 3.09Å; R630-E647 IonicContact CZ-OE1 3.59Å; R630-E647 IonicContact CZ-OE2 2.74Å; R630-E647 IonicContact NE-OE1 3.08Å; R630-E647 PolarHBondContact NE-OE1 2.97Å; R630-E647 IonicContact NE-OE2 2.63Å; R630-E647 IonicContact NH2-OE1 3.8Å; R630-E647 PolarHBondContact NH2-OE1 3.1Å; R630-E647 IonicContact NH2-OE2 2.71Å; R630-E647 PolarHBondContact NH2-OE2 2.87Å |
| 631 | A | 89 | Confident | 86.2 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P594 S627 L628 K633 E634 L635 | P594-A631 HydrophobicContact CB-CB 3.88Å; P594-A631 HydrophobicContact CG-CB 3.85Å; S627-A631 WeakPolarHBondContact O-CB 3.4Å; S627-A631 PolarHBondContact O-N 3.43Å; L628-A631 PolarHBondContact O-N 3.49Å; A631-K633 VanDerWaalsContact C-N 3.27Å; A631-K633 PolarHBondContact O-N 2.91Å; A631-E634 PolarHBondContact O-N 3.1Å; A631-L635 PolarHBondContact O-N 2.91Å |
| 632 | C | 88.9 | Confident | 86.2 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.007 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.6 | -29.1 | 172.7 | -72.1 | 0 | 0 | 0 | 0 | 112.9 | I613 L628 W636 F642 | I613-C632 HydrophobicContact CD1-CB 4.31Å; L628-C632 WeakPolarHBondContact O-CB 3.28Å; L628-C632 PolarHBondContact O-N 2.98Å; L628-C632 PolarHBondContact O-SG 2.9Å; C632-W636 HydrophobicContact CB-CE3 4.15Å; C632-W636 HydrophobicContact CB-CZ3 4.15Å; C632-W636 PolarHBondContact O-N 3.46Å; C632-F642 HydrophobicContact CB-CD1 3.91Å; C632-F642 HydrophobicContact CB-CD2 4.41Å; C632-F642 HydrophobicContact CB-CE1 3.7Å; C632-F642 HydrophobicContact CB-CE2 4.23Å; C632-F642 HydrophobicContact CB-CG 4.28Å; C632-F642 HydrophobicContact CB-CZ 3.87Å |
| 633 | K | 88.2 | Confident | 85.9 | Confident | 71 Ų | 71 | 54.2 Ų | 54.2 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -73.8 | -30.3 | 176.5 | -175.7 | 173.7 | -173.6 | 161.6 | 0 | 113.1 | L629 R630 A631 P637 F642 C644 | L629-K633 VanDerWaalsContact O-CB 3.3Å; L629-K633 WeakPolarHBondContact O-CB 3.42Å; L629-K633 PolarHBondContact O-N 2.95Å; R630-K633 WeakPolarHBondContact O-CB 3.45Å; R630-K633 PolarHBondContact O-N 3.21Å; R630-K633 VanDerWaalsContact O-N 3.13Å; A631-K633 VanDerWaalsContact C-N 3.27Å; A631-K633 PolarHBondContact O-N 2.91Å; K633-P637 WeakPolarHBondContact O-CA 3.09Å; K633-F642 HydrophobicContact CB-CB 4.35Å; K633-F642 VanDerWaalsContact CD-O 3.31Å; K633-F642 WeakPolarHBondContact CD-O 3.28Å; K633-F642 WeakPolarHBondContact CE-O 3.46Å; K633-F642 WeakPolarHBondContact CG-O 3.45Å; K633-C644 PolarHBondContact NZ-O 3.1Å; K633-C644 VanDerWaalsContact NZ-O 3.12Å |
| 634 | E | 86.1 | Confident | 85.5 | Confident | 172 Ų | 172 | 55.3 Ų | 55.3 | 80% | 0.804 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -71.5 | -37.9 | 170.8 | -68 | -168.5 | 161.8 | 0 | 0 | 112.1 | R630 A631 | R630-E634 PolarHBondContact O-N 2.91Å; R630-E634 VanDerWaalsContact O-N 3.09Å; A631-E634 PolarHBondContact O-N 3.1Å |
| 635 | L | 84.6 | Confident | 85.2 | Confident | 70 Ų | 70 | 58.1 Ų | 58.1 | 37% | 0.366 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -70.5 | -40.8 | 176.1 | -70.2 | 173.5 | 0 | 0 | 0 | 113.5 | P594 F597 A631 | P594-L635 HydrophobicContact CB-CD1 3.94Å; P594-L635 HydrophobicContact CG-CD1 3.42Å; P594-L635 VanDerWaalsContact CG-CD1 3.42Å; P594-L635 HydrophobicContact CG-CG 4.42Å; F597-L635 HydrophobicContact CE2-CD1 4.25Å; F597-L635 HydrophobicContact CE2-CD2 4.42Å; F597-L635 HydrophobicContact CZ-CD1 3.88Å; F597-L635 HydrophobicContact CZ-CD2 4.12Å; A631-L635 PolarHBondContact O-N 2.91Å |
| 636 | W | 87.1 | Confident | 84.9 | Confident | 33 Ų | 33 | 60.7 Ų | 60.7 | 13% | 0.125 | 32% | 0.315 | C | S | . | . | trans | -131.1 | 65.8 | -173.5 | -56 | -64.7 | 0 | 0 | 0 | 112.9 | L595 E605 Q606 C632 E638 H639 F642 | L595-W636 HydrophobicContact CD2-CH2 4.2Å; E605-W636 HydrophobicContact CB-CH2 4.29Å; E605-W636 HydrophobicContact CB-CZ2 3.72Å; Q606-W636 HydrophobicContact CG-CB 4.45Å; Q606-W636 HydrophobicContact CG-CD2 3.7Å; Q606-W636 HydrophobicContact CG-CE3 4.21Å; Q606-W636 HydrophobicContact CG-CG 3.79Å; Q606-W636 HydrophobicContact CG-CZ2 4.48Å; C632-W636 HydrophobicContact CB-CE3 4.15Å; C632-W636 HydrophobicContact CB-CZ3 4.15Å; C632-W636 PolarHBondContact O-N 3.46Å; W636-E638 PolarHBondContact O-N 2.72Å; W636-H639 HydrophobicContact CB-CB 3.95Å; W636-H639 PolarHBondContact O-N 3.47Å; W636-H639 VanDerWaalsContact O-N 3.15Å; W636-F642 HydrophobicContact CB-CD2 4.07Å; W636-F642 HydrophobicContact CD2-CE2 4.49Å; W636-F642 HydrophobicContact CE3-CD2 4.2Å; W636-F642 AromaticContact CE3-CE2 3.72Å; W636-F642 HydrophobicContact CE3-CE2 3.72Å; W636-F642 HydrophobicContact CE3-CZ 4.43Å; W636-F642 HydrophobicContact CZ3-CE2 4.38Å | ||
| 637 | P | 81.3 | Confident | 84.8 | Confident | 76 Ų | 76 | 62.3 Ų | 62.3 | 49% | 0.494 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -24.1 | -176.2 | 25.1 | -35.2 | 0 | 0 | 0 | 114.2 | K633 S643 | K633-P637 WeakPolarHBondContact O-CA 3.09Å; P637-S643 WeakPolarHBondContact O-CB 3.47Å; P637-S643 PolarHBondContact O-OG 3.1Å |
| 638 | E | 79.3 | Confident | 84.7 | Confident | 187 Ų | 187 | 63.5 Ų | 63.5 | 87% | 0.874 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -13 | 179.1 | -59.5 | -168.7 | 164.9 | 0 | 0 | 113.8 | W636 E640 | W636-E638 PolarHBondContact O-N 2.72Å; E638-E640 PolarHBondContact O-N 3.25Å |
| 639 | H | 80.6 | Confident | 84.5 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 25% | 0.245 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -81 | 122.2 | -172.8 | -177.8 | -77.3 | 0 | 0 | 0 | 111.6 | W636 T641 F642 S643 | W636-H639 HydrophobicContact CB-CB 3.95Å; W636-H639 PolarHBondContact O-N 3.47Å; W636-H639 VanDerWaalsContact O-N 3.15Å; H639-T641 VanDerWaalsContact C-N 3.28Å; H639-T641 PolarHBondContact CE1-OG1 3.39Å; H639-T641 VanDerWaalsContact CE1-OG1 3.29Å; H639-T641 PolarHBondContact ND1-N 3.13Å; H639-T641 PolarHBondContact O-N 3.02Å; H639-F642 HydrophobicContact CB-CD2 3.97Å; H639-F642 AromaticContact CG-CD2 3.93Å; H639-F642 AromaticContact ND1-CD2 3.6Å; H639-F642 AromaticContact ND1-CE2 3.9Å; H639-F642 PolarHBondContact O-N 2.95Å; H639-S643 PolarHBondContact O-N 3.38Å |
| 640 | E | 80.3 | Confident | 84.4 | Confident | 178 Ų | 178 | 69.8 Ų | 69.8 | 83% | 0.832 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -49.1 | -41.6 | -167.4 | -64.1 | -171 | 158.7 | 0 | 0 | 114.5 | E638 F642 | E638-E640 PolarHBondContact O-N 3.25Å; E640-F642 PolarHBondContact O-N 2.89Å |
| 641 | T | 78.6 | Confident | 84.4 | Confident | 20 Ų | 20 | 65.1 Ų | 65.1 | 12% | 0.123 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.4 | -30.5 | -179 | -37.3 | 0 | 0 | 0 | 0 | 113.6 | K610 H639 S650 T653 I654 | K610-T641 WeakPolarHBondContact CE-OG1 3.2Å; K610-T641 PolarHBondContact NZ-OG1 3.15Å; H639-T641 VanDerWaalsContact C-N 3.28Å; H639-T641 PolarHBondContact CE1-OG1 3.39Å; H639-T641 VanDerWaalsContact CE1-OG1 3.29Å; H639-T641 PolarHBondContact ND1-N 3.13Å; H639-T641 PolarHBondContact O-N 3.02Å; T641-S650 WeakPolarHBondContact O-CB 3.41Å; T641-S650 PolarHBondContact O-OG 2.98Å; T641-T653 HydrophobicContact CG2-CG2 4.19Å; T641-I654 HydrophobicContact CG2-CD1 4.09Å; T641-I654 HydrophobicContact CG2-CG1 3.64Å |
| 642 | F | 85.8 | Confident | 84.4 | Confident | 1 Ų | 1 | 68 Ų | 68 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -94.1 | -26.6 | -179.1 | -56.7 | -51.4 | 0 | 0 | 0 | 112.1 | Q606 K610 I613 L629 C632 K633 W636 H639 E640 C644 I654 | Q606-F642 HydrophobicContact CB-CE2 4.18Å; Q606-F642 HydrophobicContact CG-CE2 4.47Å; K610-F642 HydrophobicContact CG-CE1 4.21Å; K610-F642 HydrophobicContact CG-CZ 3.79Å; I613-F642 HydrophobicContact CD1-CE1 3.81Å; L629-F642 HydrophobicContact CD1-CD1 3.96Å; L629-F642 HydrophobicContact CD1-CE1 4.49Å; C632-F642 HydrophobicContact CB-CD1 3.91Å; C632-F642 HydrophobicContact CB-CD2 4.41Å; C632-F642 HydrophobicContact CB-CE1 3.7Å; C632-F642 HydrophobicContact CB-CE2 4.23Å; C632-F642 HydrophobicContact CB-CG 4.28Å; C632-F642 HydrophobicContact CB-CZ 3.87Å; K633-F642 HydrophobicContact CB-CB 4.35Å; K633-F642 VanDerWaalsContact CD-O 3.31Å; K633-F642 WeakPolarHBondContact CD-O 3.28Å; K633-F642 WeakPolarHBondContact CE-O 3.46Å; K633-F642 WeakPolarHBondContact CG-O 3.45Å; W636-F642 HydrophobicContact CB-CD2 4.07Å; W636-F642 HydrophobicContact CD2-CE2 4.49Å; W636-F642 HydrophobicContact CE3-CD2 4.2Å; W636-F642 AromaticContact CE3-CE2 3.72Å; W636-F642 HydrophobicContact CE3-CE2 3.72Å; W636-F642 HydrophobicContact CE3-CZ 4.43Å; W636-F642 HydrophobicContact CZ3-CE2 4.38Å; H639-F642 HydrophobicContact CB-CD2 3.97Å; H639-F642 AromaticContact CG-CD2 3.93Å; H639-F642 AromaticContact ND1-CD2 3.6Å; H639-F642 AromaticContact ND1-CE2 3.9Å; H639-F642 PolarHBondContact O-N 2.95Å; E640-F642 PolarHBondContact O-N 2.89Å; F642-C644 PolarHBondContact O-N 2.92Å; F642-I654 HydrophobicContact CE1-CD1 4.07Å |
| 643 | S | 79.3 | Confident | 84.3 | Confident | 62 Ų | 62 | 71.3 Ų | 71.3 | 43% | 0.434 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -74.1 | -8.4 | -179.1 | -146.8 | 0 | 0 | 0 | 0 | 114.2 | P637 H639 | P637-S643 WeakPolarHBondContact O-CB 3.47Å; P637-S643 PolarHBondContact O-OG 3.1Å; H639-S643 PolarHBondContact O-N 3.38Å |
| 644 | C | 80.3 | Confident | 84.3 | Confident | 33 Ų | 33 | 67.9 Ų | 67.9 | 22% | 0.223 | 35% | 0.347 | C | S | . | . | trans | -60.1 | 136.1 | 179.1 | -150.2 | 0 | 0 | 0 | 0 | 111.3 | K633 F642 D646 S650 | K633-C644 PolarHBondContact NZ-O 3.1Å; K633-C644 VanDerWaalsContact NZ-O 3.12Å; F642-C644 PolarHBondContact O-N 2.92Å; C644-D646 VanDerWaalsContact C-N 3.25Å; C644-D646 PolarHBondContact O-N 2.9Å; C644-S650 WeakPolarHBondContact CB-OG 3.39Å | ||
| 645 | P | 79.9 | Confident | 84.4 | Confident | 125 Ų | 125 | 60.1 Ų | 60.1 | 81% | 0.812 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -76.9 | -10.1 | 174.5 | 30.1 | -35.6 | 0 | 0 | 0 | 113.6 | ||
| 646 | D | 85.4 | Confident | 84.6 | Confident | 54 Ų | 54 | 60.6 Ų | 60.6 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | trans | -106.5 | 97.1 | 178.6 | -178.5 | -23.1 | 0 | 0 | 0 | 108.5 | C644 I648 R649 S650 | C644-D646 VanDerWaalsContact C-N 3.25Å; C644-D646 PolarHBondContact O-N 2.9Å; D646-I648 PolarHBondContact O-N 3.43Å; D646-I648 PolarHBondContact OD1-N 3.32Å; D646-R649 HydrophobicContact CB-CB 3.91Å; D646-R649 VanDerWaalsContact CB-NH1 3.32Å; D646-R649 VanDerWaalsContact CG-NH1 3.32Å; D646-R649 PolarHBondContact O-N 2.93Å; D646-R649 PolarHBondContact OD1-N 3.11Å; D646-R649 IonicContact OD2-CZ 3.25Å; D646-R649 VanDerWaalsContact OD2-CZ 3.28Å; D646-R649 IonicContact OD2-NH1 2.9Å; D646-R649 PolarHBondContact OD2-NH1 2.93Å; D646-R649 IonicContact OD2-NH2 2.78Å; D646-R649 PolarHBondContact OD2-NH2 3.29Å; D646-S650 PolarHBondContact O-N 2.87Å | ||
| 647 | E | 85.6 | Confident | 84.4 | Confident | 34 Ų | 34 | 62.3 Ų | 62.3 | 16% | 0.159 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.4 | -37.8 | -175.8 | -63.8 | -172.9 | 154.1 | 0 | 0 | 111.5 | L629 R630 S650 L651 | L629-E647 HydrophobicContact CD2-CB 3.87Å; L629-E647 HydrophobicContact CD2-CG 4.1Å; R630-E647 IonicContact CZ-OE1 3.59Å; R630-E647 IonicContact CZ-OE2 2.74Å; R630-E647 IonicContact NE-OE1 3.08Å; R630-E647 PolarHBondContact NE-OE1 2.97Å; R630-E647 IonicContact NE-OE2 2.63Å; R630-E647 IonicContact NH2-OE1 3.8Å; R630-E647 PolarHBondContact NH2-OE1 3.1Å; R630-E647 IonicContact NH2-OE2 2.71Å; R630-E647 PolarHBondContact NH2-OE2 2.87Å; E647-S650 WeakPolarHBondContact O-CB 3.33Å; E647-S650 PolarHBondContact O-N 3.48Å; E647-L651 WeakPolarHBondContact O-CG 3.36Å; E647-L651 PolarHBondContact O-N 3.12Å |
| 648 | I | 87.4 | Confident | 84.4 | Confident | 35 Ų | 35 | 66.2 Ų | 66.2 | 18% | 0.179 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 177.8 | -59.3 | 177.2 | 0 | 0 | 0 | 110.5 | W571 E575 K579 L582 D646 L651 K652 | W571-I648 HydrophobicContact CZ2-CG2 4.01Å; E575-I648 HydrophobicContact CG-CG2 3.94Å; K579-I648 HydrophobicContact CG-CD1 3.78Å; L582-I648 HydrophobicContact CD1-CD1 4.43Å; L582-I648 HydrophobicContact CD1-CG1 4.11Å; D646-I648 PolarHBondContact O-N 3.43Å; D646-I648 PolarHBondContact OD1-N 3.32Å; I648-L651 PolarHBondContact O-N 3.01Å; I648-K652 VanDerWaalsContact O-CB 3.27Å; I648-K652 WeakPolarHBondContact O-CB 3.22Å; I648-K652 PolarHBondContact O-N 3.33Å |
| 649 | R | 86.8 | Confident | 84.5 | Confident | 139 Ų | 139 | 58.2 Ų | 58.2 | 53% | 0.525 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 174 | -175.5 | 177.8 | -71 | 93.9 | 13.8 | 112.4 | D646 T653 | D646-R649 HydrophobicContact CB-CB 3.91Å; D646-R649 VanDerWaalsContact CB-NH1 3.32Å; D646-R649 VanDerWaalsContact CG-NH1 3.32Å; D646-R649 PolarHBondContact O-N 2.93Å; D646-R649 PolarHBondContact OD1-N 3.11Å; D646-R649 IonicContact OD2-CZ 3.25Å; D646-R649 VanDerWaalsContact OD2-CZ 3.28Å; D646-R649 IonicContact OD2-NH1 2.9Å; D646-R649 PolarHBondContact OD2-NH1 2.93Å; D646-R649 IonicContact OD2-NH2 2.78Å; D646-R649 PolarHBondContact OD2-NH2 3.29Å; R649-T653 PolarHBondContact O-N 3.21Å; R649-T653 PolarHBondContact O-OG1 2.93Å |
| 650 | S | 86.9 | Confident | 84.2 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.3 | -51.5 | 173.4 | -80.1 | 0 | 0 | 0 | 0 | 111.8 | T641 C644 D646 E647 K652 T653 I654 | T641-S650 WeakPolarHBondContact O-CB 3.41Å; T641-S650 PolarHBondContact O-OG 2.98Å; C644-S650 WeakPolarHBondContact CB-OG 3.39Å; D646-S650 PolarHBondContact O-N 2.87Å; E647-S650 WeakPolarHBondContact O-CB 3.33Å; E647-S650 PolarHBondContact O-N 3.48Å; S650-K652 VanDerWaalsContact C-N 3.29Å; S650-K652 PolarHBondContact O-N 3.42Å; S650-T653 WeakPolarHBondContact O-CB 3.46Å; S650-T653 PolarHBondContact O-N 3.45Å; S650-I654 WeakPolarHBondContact O-CG1 3.29Å; S650-I654 PolarHBondContact O-N 2.98Å |
| 651 | L | 90.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.8 | -38.7 | 178.5 | -67.2 | 173 | 0 | 0 | 0 | 111.8 | W571 L578 I613 L617 A625 I626 L629 E647 I648 T653 I654 F655 | W571-L651 HydrophobicContact CH2-CB 4.13Å; L578-L651 HydrophobicContact CD1-CB 4.35Å; L578-L651 HydrophobicContact CD1-CD1 3.94Å; L578-L651 HydrophobicContact CD2-CD1 3.55Å; L578-L651 HydrophobicContact CG-CD1 4.37Å; I613-L651 HydrophobicContact CG2-CD2 3.53Å; L617-L651 HydrophobicContact CD1-CB 4.21Å; L617-L651 HydrophobicContact CD1-CD2 4.15Å; L617-L651 HydrophobicContact CD2-CB 4.44Å; L617-L651 HydrophobicContact CD2-CD2 4.39Å; A625-L651 HydrophobicContact CB-CD2 4.26Å; I626-L651 HydrophobicContact CG1-CD1 4.02Å; L629-L651 HydrophobicContact CB-CD2 4.16Å; L629-L651 HydrophobicContact CD1-CD2 4.35Å; L629-L651 HydrophobicContact CD2-CD2 4.25Å; L629-L651 HydrophobicContact CD2-CG 4.12Å; L629-L651 HydrophobicContact CG-CD2 4.49Å; E647-L651 WeakPolarHBondContact O-CG 3.36Å; E647-L651 PolarHBondContact O-N 3.12Å; I648-L651 PolarHBondContact O-N 3.01Å; L651-T653 VanDerWaalsContact C-N 3.34Å; L651-T653 PolarHBondContact O-N 3.45Å; L651-I654 PolarHBondContact O-N 3.26Å; L651-F655 WeakPolarHBondContact O-CB 3.26Å; L651-F655 PolarHBondContact O-N 3.09Å |
| 652 | K | 89.2 | Confident | 83.4 | Confident | 81 Ų | 81 | 56.3 Ų | 56.3 | 35% | 0.352 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 173.4 | -164.3 | 164.5 | -165.8 | 155.5 | 0 | 111.8 | W571 E575 I648 S650 F655 F656 | W571-K652 HydrophobicContact CD2-CD 4.48Å; W571-K652 HydrophobicContact CD2-CG 4.11Å; W571-K652 VanDerWaalsContact CH2-CA 3.43Å; W571-K652 HydrophobicContact CH2-CB 3.68Å; W571-K652 HydrophobicContact CH2-CG 4.23Å; W571-K652 VanDerWaalsContact CH2-N 3.33Å; W571-K652 HydrophobicContact CZ2-CB 3.5Å; W571-K652 VanDerWaalsContact CZ2-CB 3.5Å; W571-K652 HydrophobicContact CZ2-CD 3.92Å; W571-K652 HydrophobicContact CZ2-CG 3.75Å; W571-K652 HydrophobicContact CZ3-CB 4.31Å; W571-K652 VanDerWaalsContact NE1-CE 3.33Å; W571-K652 VanDerWaalsContact NE1-NZ 3.16Å; E575-K652 IonicContact OE2-NZ 3.08Å; E575-K652 PolarHBondContact OE2-NZ 2.97Å; I648-K652 VanDerWaalsContact O-CB 3.27Å; I648-K652 WeakPolarHBondContact O-CB 3.22Å; I648-K652 PolarHBondContact O-N 3.33Å; S650-K652 VanDerWaalsContact C-N 3.29Å; S650-K652 PolarHBondContact O-N 3.42Å; K652-F655 PolarHBondContact O-N 3.29Å; K652-F656 HydrophobicContact CG-CD2 3.86Å; K652-F656 HydrophobicContact CG-CE2 3.89Å; K652-F656 VanDerWaalsContact O-CD2 3.29Å; K652-F656 WeakPolarHBondContact O-CD2 3.35Å; K652-F656 PolarHBondContact O-N 2.96Å |
| 653 | T | 87.1 | Confident | 82.3 | Confident | 71 Ų | 71 | 64 Ų | 64 | 44% | 0.436 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.8 | -45.9 | 178.4 | -53.2 | 0 | 0 | 0 | 0 | 110.7 | T641 R649 S650 L651 F656 E657 | T641-T653 HydrophobicContact CG2-CG2 4.19Å; R649-T653 PolarHBondContact O-N 3.21Å; R649-T653 PolarHBondContact O-OG1 2.93Å; S650-T653 WeakPolarHBondContact O-CB 3.46Å; S650-T653 PolarHBondContact O-N 3.45Å; L651-T653 VanDerWaalsContact C-N 3.34Å; L651-T653 PolarHBondContact O-N 3.45Å; T653-F656 PolarHBondContact O-N 3.41Å; T653-E657 WeakPolarHBondContact O-CB 3.48Å; T653-E657 PolarHBondContact O-N 3.16Å; T653-E657 VanDerWaalsContact O-N 3.13Å |
| 654 | I | 87.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66 | -36.6 | 177.1 | -63.8 | 168.6 | 0 | 0 | 0 | 111.8 | K610 I613 Q614 L629 T641 F642 S650 L651 F656 Y659 | K610-I654 HydrophobicContact CB-CG2 4.4Å; K610-I654 HydrophobicContact CG-CG1 4.38Å; K610-I654 WeakPolarHBondContact O-CG2 3.27Å; I613-I654 HydrophobicContact CB-CD1 4.4Å; I613-I654 HydrophobicContact CB-CG2 4.1Å; I613-I654 HydrophobicContact CD1-CD1 3.98Å; I613-I654 HydrophobicContact CG2-CB 4.43Å; I613-I654 HydrophobicContact CG2-CD1 3.94Å; I613-I654 HydrophobicContact CG2-CG2 3.86Å; Q614-I654 HydrophobicContact CB-CG2 4Å; Q614-I654 PolarHBondContact NE2-O 3.27Å; L629-I654 HydrophobicContact CD1-CD1 3.97Å; T641-I654 HydrophobicContact CG2-CD1 4.09Å; T641-I654 HydrophobicContact CG2-CG1 3.64Å; F642-I654 HydrophobicContact CE1-CD1 4.07Å; S650-I654 WeakPolarHBondContact O-CG1 3.29Å; S650-I654 PolarHBondContact O-N 2.98Å; L651-I654 PolarHBondContact O-N 3.26Å; I654-F656 PolarHBondContact O-N 2.99Å; I654-Y659 HydrophobicContact CG2-CE2 4.39Å |
| 655 | F | 90 | Very high | 80.4 | Confident | 9 Ų | 9 | 64.8 Ų | 64.8 | 4% | 0.039 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 178.9 | -170.7 | -103.3 | 0 | 0 | 0 | 113.3 | W571 L574 Q614 L617 L618 L651 K652 | W571-F655 HydrophobicContact CB-CD1 4.34Å; W571-F655 HydrophobicContact CB-CE1 4.07Å; W571-F655 HydrophobicContact CD2-CD1 4.41Å; W571-F655 HydrophobicContact CE3-CB 3.82Å; W571-F655 AromaticContact CE3-CD1 3.62Å; W571-F655 HydrophobicContact CE3-CD1 3.62Å; W571-F655 HydrophobicContact CE3-CD2 4.28Å; W571-F655 HydrophobicContact CE3-CE1 4.21Å; W571-F655 AromaticContact CE3-CG 3.64Å; W571-F655 HydrophobicContact CE3-CG 3.64Å; W571-F655 HydrophobicContact CZ3-CB 3.77Å; W571-F655 HydrophobicContact CZ3-CD1 4.42Å; W571-F655 HydrophobicContact CZ3-CG 4.01Å; L574-F655 HydrophobicContact CD1-CE2 4.18Å; L574-F655 HydrophobicContact CD1-CZ 4.41Å; Q614-F655 PolarHBondContact NE2-O 2.93Å; Q614-F655 VanDerWaalsContact NE2-O 3.13Å; L617-F655 HydrophobicContact CB-CD2 3.82Å; L617-F655 HydrophobicContact CB-CE2 4.31Å; L617-F655 HydrophobicContact CD1-CB 4.14Å; L617-F655 HydrophobicContact CD1-CD2 4.25Å; L618-F655 HydrophobicContact CD2-CE2 3.88Å; L618-F655 HydrophobicContact CD2-CZ 4.33Å; L618-F655 HydrophobicContact CG-CE2 4.46Å; L651-F655 WeakPolarHBondContact O-CB 3.26Å; L651-F655 PolarHBondContact O-N 3.09Å; K652-F655 PolarHBondContact O-N 3.29Å |
| 656 | F | 86.9 | Confident | 79.3 | Confident | 79 Ų | 79 | 63.4 Ų | 63.4 | 35% | 0.346 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -92.5 | -11.9 | -176.9 | -74.1 | -76.4 | 0 | 0 | 0 | 114.5 | K567 E568 W571 K652 T653 I654 | K567-F656 HydrophobicContact CB-CD1 4.42Å; K567-F656 HydrophobicContact CB-CE1 3.74Å; E568-F656 HydrophobicContact CG-CE1 4.41Å; E568-F656 HydrophobicContact CG-CZ 4.38Å; W571-F656 HydrophobicContact CB-CE2 4.02Å; W571-F656 HydrophobicContact CB-CZ 3.84Å; W571-F656 HydrophobicContact CD2-CE2 4.09Å; W571-F656 HydrophobicContact CE3-CE2 4.43Å; W571-F656 AromaticContact CG-CE2 3.84Å; W571-F656 HydrophobicContact CG-CE2 3.84Å; W571-F656 HydrophobicContact CG-CZ 4.15Å; K652-F656 HydrophobicContact CG-CD2 3.86Å; K652-F656 HydrophobicContact CG-CE2 3.89Å; K652-F656 VanDerWaalsContact O-CD2 3.29Å; K652-F656 WeakPolarHBondContact O-CD2 3.35Å; K652-F656 PolarHBondContact O-N 2.96Å; T653-F656 PolarHBondContact O-N 3.41Å; I654-F656 PolarHBondContact O-N 2.99Å |
| 657 | E | 84.8 | Confident | 77.5 | Confident | 70 Ų | 70 | 65.1 Ų | 65.1 | 33% | 0.327 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -74.6 | 140.9 | 175.5 | -170.9 | 169.9 | -138.5 | 0 | 0 | 111.1 | K610 Q614 T653 Y659 | K610-E657 IonicContact NZ-OE1 2.76Å; K610-E657 PolarHBondContact NZ-OE1 3.27Å; K610-E657 IonicContact NZ-OE2 3.06Å; K610-E657 PolarHBondContact NZ-OE2 3.44Å; Q614-E657 PolarHBondContact NE2-O 3.48Å; T653-E657 WeakPolarHBondContact O-CB 3.48Å; T653-E657 PolarHBondContact O-N 3.16Å; T653-E657 VanDerWaalsContact O-N 3.13Å; E657-Y659 HydrophobicContact CB-CE1 4.15Å; E657-Y659 HydrophobicContact CB-CE2 4.47Å; E657-Y659 WeakPolarHBondContact CB-OH 3.41Å; E657-Y659 HydrophobicContact CG-CD1 4.35Å; E657-Y659 HydrophobicContact CG-CE1 3.55Å; E657-Y659 VanDerWaalsContact OE2-CE1 3.22Å; E657-Y659 WeakPolarHBondContact OE2-CE1 3.04Å; E657-Y659 VanDerWaalsContact OE2-CZ 3.28Å; E657-Y659 PolarHBondContact OE2-OH 2.85Å |
| 658 | E | 79.6 | Confident | 75.6 | Confident | 157 Ų | 157 | 67.1 Ų | 67.1 | 73% | 0.734 | 34% | 0.338 | S | S | * | . | trans | -104.2 | 115 | -178.1 | -67.9 | -173.8 | 156.7 | 0 | 0 | 110.6 | P660 | E658-P660 VanDerWaalsContact O-CD 3.3Å; E658-P660 WeakPolarHBondContact O-CD 3.2Å | ||
| 659 | Y | 81.8 | Confident | 73.5 | Confident | 19 Ų | 19 | 71.6 Ų | 71.6 | 8% | 0.075 | 36% | 0.362 | C | S | . | . | trans | -100.9 | 101.9 | 178.5 | -49.2 | -65.9 | 0 | 0 | 0 | 110.9 | T607 K610 I611 Q614 I654 E657 E661 R662 | T607-Y659 HydrophobicContact CG2-CD1 3.97Å; K610-Y659 HydrophobicContact CB-CE1 4.05Å; K610-Y659 HydrophobicContact CB-CE2 4.12Å; K610-Y659 HydrophobicContact CD-CE1 3.72Å; K610-Y659 WeakPolarHBondContact CD-OH 3.29Å; I611-Y659 HydrophobicContact CD1-CG 4.23Å; I611-Y659 HydrophobicContact CG1-CD1 4.44Å; I611-Y659 HydrophobicContact CG1-CD2 3.62Å; I611-Y659 HydrophobicContact CG1-CE2 4.47Å; I611-Y659 HydrophobicContact CG1-CG 3.61Å; Q614-Y659 HydrophobicContact CB-CE2 4.18Å; Q614-Y659 HydrophobicContact CG-CE2 4.49Å; I654-Y659 HydrophobicContact CG2-CE2 4.39Å; E657-Y659 HydrophobicContact CB-CE1 4.15Å; E657-Y659 HydrophobicContact CB-CE2 4.47Å; E657-Y659 WeakPolarHBondContact CB-OH 3.41Å; E657-Y659 HydrophobicContact CG-CD1 4.35Å; E657-Y659 HydrophobicContact CG-CE1 3.55Å; E657-Y659 VanDerWaalsContact OE2-CE1 3.22Å; E657-Y659 WeakPolarHBondContact OE2-CE1 3.04Å; E657-Y659 VanDerWaalsContact OE2-CZ 3.28Å; E657-Y659 PolarHBondContact OE2-OH 2.85Å; Y659-E661 PolarHBondContact O-N 2.92Å; Y659-E661 VanDerWaalsContact O-N 3.17Å; Y659-R662 WeakPolarHBondContact O-CB 3.34Å; Y659-R662 PolarHBondContact O-N 3.17Å | ||
| 660 | P | 73.8 | Confident | 71.2 | Confident | 103 Ų | 103 | 74 Ų | 74 | 67% | 0.669 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -13.6 | 175.6 | 26.3 | -33.7 | 0 | 0 | 0 | 113.4 | E658 R662 | E658-P660 VanDerWaalsContact O-CD 3.3Å; E658-P660 WeakPolarHBondContact O-CD 3.2Å; P660-R662 VanDerWaalsContact C-N 3.29Å; P660-R662 PolarHBondContact O-N 3.24Å |
| 661 | E | 72.9 | Confident | 68.6 | Low | 56 Ų | 56 | 81 Ų | 81 | 26% | 0.262 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -9.8 | 176.1 | -58.7 | 73.6 | -160 | 0 | 0 | 113.5 | F603 I611 Y659 E663 M664 L665 | F603-E661 HydrophobicContact CB-CG 4.08Å; F603-E661 HydrophobicContact CD1-CB 3.89Å; F603-E661 HydrophobicContact CD1-CG 3.79Å; F603-E661 HydrophobicContact CD2-CB 4.17Å; F603-E661 HydrophobicContact CD2-CG 4.04Å; F603-E661 HydrophobicContact CE1-CB 3.76Å; F603-E661 HydrophobicContact CE1-CG 4.2Å; F603-E661 HydrophobicContact CE2-CB 4.01Å; F603-E661 HydrophobicContact CE2-CG 4.4Å; F603-E661 HydrophobicContact CG-CB 4.1Å; F603-E661 HydrophobicContact CG-CG 3.7Å; F603-E661 HydrophobicContact CZ-CB 3.81Å; F603-E661 HydrophobicContact CZ-CG 4.48Å; I611-E661 HydrophobicContact CD1-CB 4Å; Y659-E661 PolarHBondContact O-N 2.92Å; Y659-E661 VanDerWaalsContact O-N 3.17Å; E661-E663 VanDerWaalsContact C-N 3.34Å; E661-E663 PolarHBondContact O-N 3.39Å; E661-M664 WeakPolarHBondContact O-CA 3.5Å; E661-M664 WeakPolarHBondContact O-CB 3.41Å; E661-M664 PolarHBondContact O-N 2.87Å; E661-L665 PolarHBondContact O-N 2.97Å |
| 662 | R | 69.7 | Low | 65.9 | Low | 52 Ų | 52 | 84.2 Ų | 84.2 | 20% | 0.196 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -53.9 | -46.6 | -179.9 | 170.8 | 177.7 | -94.4 | 139.1 | 0.9 | 112.7 | I611 N615 L618 Y659 P660 M664 L665 E666 | I611-R662 HydrophobicContact CG2-CB 4.43Å; N615-R662 VanDerWaalsContact OD1-CZ 3.3Å; N615-R662 PolarHBondContact OD1-NE 3.28Å; N615-R662 VanDerWaalsContact OD1-NE 3.1Å; N615-R662 PolarHBondContact OD1-NH2 2.96Å; L618-R662 VanDerWaalsContact CD1-NH2 3.35Å; Y659-R662 WeakPolarHBondContact O-CB 3.34Å; Y659-R662 PolarHBondContact O-N 3.17Å; P660-R662 VanDerWaalsContact C-N 3.29Å; P660-R662 PolarHBondContact O-N 3.24Å; R662-M664 PolarHBondContact O-N 3.34Å; R662-L665 PolarHBondContact O-N 3.43Å; R662-E666 WeakPolarHBondContact CD-OE1 3.44Å; R662-E666 HydrophobicContact CG-CG 4.24Å; R662-E666 WeakPolarHBondContact CG-OE1 3.5Å; R662-E666 IonicContact NE-OE1 2.99Å; R662-E666 PolarHBondContact NE-OE1 2.7Å; R662-E666 PolarHBondContact O-N 2.82Å |
| 663 | E | 62.9 | Low | 63.1 | Low | 164 Ų | 164 | 89.1 Ų | 89.1 | 77% | 0.766 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.6 | -21.2 | 179.4 | -63 | -179.6 | 174.3 | 0 | 0 | 112.5 | E661 S667 | E661-E663 VanDerWaalsContact C-N 3.34Å; E661-E663 PolarHBondContact O-N 3.39Å; E663-S667 PolarHBondContact O-OG 2.9Å; E663-S667 VanDerWaalsContact O-OG 3.09Å |
| 664 | M | 58.2 | Low | 60.5 | Low | 78 Ų | 78 | 88.8 Ų | 88.8 | 38% | 0.384 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -92 | -12.9 | 179 | -58.1 | -179.1 | 56.3 | 0 | 0 | 114 | Q602 E661 R662 | Q602-M664 HydrophobicContact CB-CE 4.28Å; Q602-M664 VanDerWaalsContact OE1-CE 3.29Å; E661-M664 WeakPolarHBondContact O-CA 3.5Å; E661-M664 WeakPolarHBondContact O-CB 3.41Å; E661-M664 PolarHBondContact O-N 2.87Å; R662-M664 PolarHBondContact O-N 3.34Å |
| 665 | L | 62 | Low | 57.7 | Low | 33 Ų | 33 | 96.4 Ų | 96.4 | 17% | 0.173 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -93.1 | -38.7 | 172.3 | -89.5 | 165.4 | 0 | 0 | 0 | 112.3 | Y601 F603 A608 I611 E661 R662 S667 S668 | Y601-L665 HydrophobicContact CD1-CD2 4.1Å; Y601-L665 HydrophobicContact CE1-CD2 3.71Å; F603-L665 HydrophobicContact CE2-CD1 4.31Å; F603-L665 HydrophobicContact CZ-CD1 3.72Å; F603-L665 HydrophobicContact CZ-CD2 4.47Å; F603-L665 HydrophobicContact CZ-CG 3.83Å; A608-L665 HydrophobicContact CB-CD1 4.12Å; I611-L665 HydrophobicContact CB-CD1 3.82Å; I611-L665 HydrophobicContact CD1-CD1 3.64Å; I611-L665 HydrophobicContact CG1-CD1 4.34Å; I611-L665 HydrophobicContact CG2-CD1 3.68Å; E661-L665 PolarHBondContact O-N 2.97Å; R662-L665 PolarHBondContact O-N 3.43Å; L665-S667 PolarHBondContact O-N 3.48Å; L665-S668 PolarHBondContact O-N 3.49Å; L665-S668 VanDerWaalsContact O-N 3.14Å |
| 666 | E | 56.7 | Low | 54.8 | Low | 95 Ų | 95 | 102.7 Ų | 102.7 | 44% | 0.444 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.8 | -19.6 | -176.5 | -70.6 | 174.5 | 179.9 | 0 | 0 | 112.7 | R662 | R662-E666 WeakPolarHBondContact CD-OE1 3.44Å; R662-E666 HydrophobicContact CG-CG 4.24Å; R662-E666 WeakPolarHBondContact CG-OE1 3.5Å; R662-E666 IonicContact NE-OE1 2.99Å; R662-E666 PolarHBondContact NE-OE1 2.7Å; R662-E666 PolarHBondContact O-N 2.82Å |
| 667 | S | 47.4 | Very low | 52.1 | Low | 91 Ų | 91 | 106.8 Ų | 106.8 | 64% | 0.636 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -8.1 | 176 | 30.7 | 0 | 0 | 0 | 0 | 114.9 | E663 L665 | E663-S667 PolarHBondContact O-OG 2.9Å; E663-S667 VanDerWaalsContact O-OG 3.09Å; L665-S667 PolarHBondContact O-N 3.48Å |
| 668 | S | 44.7 | Very low | 49.7 | Very low | 76 Ų | 76 | 110.3 Ų | 110.3 | 53% | 0.531 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -105.2 | -10.5 | -176.6 | -62.8 | 0 | 0 | 0 | 0 | 115.3 | L665 | L665-S668 PolarHBondContact O-N 3.49Å; L665-S668 VanDerWaalsContact O-N 3.14Å |
| 669 | N | 45 | Very low | 47.5 | Very low | 128 Ų | 128 | 109.4 Ų | 109.4 | 68% | 0.684 | 61% | 0.612 | S | S | * | * | trans | -111.7 | 12 | -167.8 | -92.4 | -1.6 | 0 | 0 | 0 | 115.9 | ||||
| 670 | Q | 38.3 | Very low | 45.2 | Very low | 190 Ų | 190 | 117 Ų | 117 | 89% | 0.888 | 65% | 0.649 | S | S | * | * | trans | -100.9 | 81.4 | 173 | -66.5 | -172.5 | 14.3 | 0 | 0 | 110.5 | ||||
| 671 | I | 32.3 | Very low | 43.4 | Very low | 150 Ų | 150 | 119.2 Ų | 119.2 | 77% | 0.769 | 66% | 0.655 | S | S | * | * | trans | -95.6 | 131.1 | 176.6 | -60.1 | 167.5 | 0 | 0 | 0 | 109.3 | ||||
| 672 | G | 33.3 | Very low | 41.8 | Very low | 67 Ų | 67 | 122.9 Ų | 122.9 | 69% | 0.691 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 73 | 139.7 | 144.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||
| 673 | D | 30.6 | Very low | 40 | Very low | 183 Ų | 183 | 125.7 Ų | 125.7 | 98% | 0.979 | 69% | 0.692 | S | S | * | * | trans | 63.9 | 116.6 | 166.7 | -102.7 | -4.7 | 0 | 0 | 0 | 118.7 | ||||
| 674 | G | 31.7 | Very low | 38.7 | Very low | 64 Ų | 64 | 121.8 Ų | 121.8 | 66% | 0.66 | 69% | 0.688 | S | S | * | * | trans | 114.3 | 96.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 675 | L | 29.3 | Very low | 37.7 | Very low | 160 Ų | 160 | 121.1 Ų | 121.1 | 84% | 0.838 | 70% | 0.695 | S | S | * | * | 62.2 | 102.9 | 93.6 | -80.5 | 156.5 | 0 | 0 | 0 | 113.6 | |||||
| 676 | D | 28.9 | Very low | 36.5 | Very low | 141 Ų | 141 | 124.5 Ų | 124.5 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 28.1 | 98.9 | 144.2 | -54.7 | -27.2 | 0 | 0 | 0 | 117.7 | ||
| 677 | D | 30.2 | Very low | 35.4 | Very low | 165 Ų | 165 | 125.9 Ų | 125.9 | 88% | 0.882 | 72% | 0.716 | S | S | * | * | trans | 168.3 | 21.4 | 138.8 | -91 | -19 | 0 | 0 | 0 | 117 | ||||
| 678 | V | 34.8 | Very low | 34.9 | Very low | 145 Ų | 145 | 124 Ų | 124 | 88% | 0.879 | 71% | 0.705 | S | S | * | * | trans | -135 | 53.2 | 177 | -155 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 679 | I | 33 | Very low | 34.4 | Very low | 137 Ų | 137 | 125.3 Ų | 125.3 | 70% | 0.703 | 70% | 0.703 | S | S | * | * | trans | -127.6 | 75.1 | 170.3 | -50.1 | 177.2 | 0 | 0 | 0 | 110.3 | ||||
| 680 | Q | 33.8 | Very low | 34.2 | Very low | 180 Ų | 180 | 120.8 Ų | 120.8 | 84% | 0.841 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -145.4 | 6.3 | 179 | -72.8 | -161.3 | -0.8 | 0 | 0 | 117.6 | ||
| 681 | N | 36.1 | Very low | 34.2 | Very low | 148 Ų | 148 | 116 Ų | 116 | 79% | 0.791 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -132.9 | -24.4 | -178.9 | -85.3 | -53.4 | 0 | 0 | 0 | 118.7 | ||
| 682 | D | 38.1 | Very low | 34.3 | Very low | 134 Ų | 134 | 113.9 Ų | 113.9 | 72% | 0.717 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -87.7 | -22.5 | -177.2 | -73.6 | -50.8 | 0 | 0 | 0 | 115.1 | A684 A685 E686 | D682-A684 PolarHBondContact O-N 2.96Å; D682-A685 PolarHBondContact O-N 3.35Å; D682-E686 PolarHBondContact O-N 2.92Å |
| 683 | E | 33.3 | Very low | 34.5 | Very low | 111 Ų | 111 | 114.6 Ų | 114.6 | 52% | 0.519 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -55.7 | -26.9 | 178.1 | -60.1 | -172.7 | 147.9 | 0 | 0 | 113.4 | A685 Q687 | E683-A685 VanDerWaalsContact C-N 3.35Å; E683-A685 PolarHBondContact O-N 2.95Å; E683-Q687 WeakPolarHBondContact O-CB 3.44Å; E683-Q687 WeakPolarHBondContact O-CG 3.35Å; E683-Q687 PolarHBondContact O-N 3.37Å |
| 684 | A | 34.1 | Very low | 34.9 | Very low | 82 Ų | 82 | 111 Ų | 111 | 68% | 0.678 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -76.8 | -16.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D682 | D682-A684 PolarHBondContact O-N 2.96Å |
| 685 | A | 37.2 | Very low | 35.3 | Very low | 64 Ų | 64 | 111.5 Ų | 111.5 | 53% | 0.529 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -94 | -38.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D682 E683 A688 | D682-A685 PolarHBondContact O-N 3.35Å; E683-A685 VanDerWaalsContact C-N 3.35Å; E683-A685 PolarHBondContact O-N 2.95Å; A685-A688 WeakPolarHBondContact O-CB 3.38Å; A685-A688 PolarHBondContact O-N 3.04Å |
| 686 | E | 37 | Very low | 35.6 | Very low | 104 Ų | 104 | 108.4 Ų | 108.4 | 49% | 0.486 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -71.9 | -36.8 | -179.1 | -65.7 | -158.9 | 105.3 | 0 | 0 | 113.3 | D682 A688 E689 V690 R714 | D682-E686 PolarHBondContact O-N 2.92Å; E686-A688 PolarHBondContact O-N 2.9Å; E686-E689 PolarHBondContact O-N 2.89Å; E686-V690 WeakPolarHBondContact O-CG2 3.47Å; E686-R714 IonicContact OE1-CZ 3.53Å; E686-R714 IonicContact OE1-NH1 3.58Å; E686-R714 PolarHBondContact OE1-NH1 3.48Å; E686-R714 IonicContact OE1-NH2 3.39Å |
| 687 | Q | 34.8 | Very low | 36 | Very low | 124 Ų | 124 | 106 Ų | 106 | 58% | 0.579 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.1 | -27.2 | 172.1 | -73.1 | 169.9 | 17.2 | 0 | 0 | 112.2 | E683 | E683-Q687 WeakPolarHBondContact O-CB 3.44Å; E683-Q687 WeakPolarHBondContact O-CG 3.35Å; E683-Q687 PolarHBondContact O-N 3.37Å |
| 688 | A | 36.1 | Very low | 36.3 | Very low | 50 Ų | 50 | 105 Ų | 105 | 41% | 0.413 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -81.9 | -10.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | A685 E686 F692 | A685-A688 WeakPolarHBondContact O-CB 3.38Å; A685-A688 PolarHBondContact O-N 3.04Å; E686-A688 PolarHBondContact O-N 2.9Å; A688-F692 WeakPolarHBondContact O-CD2 3.3Å; A688-F692 WeakPolarHBondContact O-CE2 3.49Å |
| 689 | E | 35 | Very low | 36.2 | Very low | 104 Ų | 104 | 104.8 Ų | 104.8 | 49% | 0.486 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -103.9 | -13.9 | 174.9 | -66 | -163.2 | 149.9 | 0 | 0 | 113.3 | R538 E686 | R538-E689 IonicContact CZ-OE1 3.34Å; R538-E689 IonicContact NE-OE1 2.63Å; R538-E689 PolarHBondContact NE-OE1 3.48Å; R538-E689 IonicContact NH2-OE1 3.44Å; R538-E689 PolarHBondContact NH2-OE1 3.24Å; E686-E689 PolarHBondContact O-N 2.89Å |
| 690 | V | 40.3 | Very low | 36.3 | Very low | 34 Ų | 34 | 101.1 Ų | 101.1 | 21% | 0.206 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -85.6 | -15.3 | -176.4 | 175.7 | 0 | 0 | 0 | 0 | 113.9 | R531 E686 | R531-V690 PolarHBondContact NH1-O 2.84Å; R531-V690 VanDerWaalsContact NH1-O 3.1Å; R531-V690 PolarHBondContact NH2-O 3.43Å; E686-V690 WeakPolarHBondContact O-CG2 3.47Å |
| 691 | E | 37.9 | Very low | 36.4 | Very low | 90 Ų | 90 | 99.1 Ų | 99.1 | 42% | 0.421 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -91.6 | -12 | 179.3 | -69.2 | -174.9 | 159.8 | 0 | 0 | 114.6 | E693 A849 | E691-E693 VanDerWaalsContact C-N 3.27Å; E691-E693 PolarHBondContact O-N 3.42Å; E691-E693 VanDerWaalsContact O-N 3.14Å; E691-A849 WeakPolarHBondContact OE1-CA 3.33Å; E691-A849 VanDerWaalsContact OE1-CB 3.3Å; E691-A849 WeakPolarHBondContact OE1-CB 3.47Å; E691-A849 WeakPolarHBondContact OE2-CA 3.4Å; E691-A849 WeakPolarHBondContact OE2-CB 3.45Å; E691-A849 PolarHBondContact OE2-N 3.04Å |
| 692 | F | 34.9 | Very low | 36.4 | Very low | 105 Ų | 105 | 99.8 Ų | 99.8 | 46% | 0.461 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -71.7 | -8.4 | -169 | -93.4 | -91.5 | 0 | 0 | 0 | 116.2 | A688 M694 M845 | A688-F692 WeakPolarHBondContact O-CD2 3.3Å; A688-F692 WeakPolarHBondContact O-CE2 3.49Å; F692-M694 PolarHBondContact O-N 2.99Å; F692-M845 HydrophobicContact CE1-SD 4.2Å; F692-M845 HydrophobicContact CZ-CB 4.14Å |
| 693 | E | 38.4 | Very low | 36.2 | Very low | 82 Ų | 82 | 101 Ų | 101 | 38% | 0.383 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -72.9 | -8.4 | -177.6 | -68.1 | -176 | 142.5 | 0 | 0 | 114.5 | R531 E691 | R531-E693 IonicContact CZ-OE2 3.38Å; R531-E693 IonicContact NE-OE2 3.28Å; R531-E693 PolarHBondContact NE-OE2 3.42Å; R531-E693 IonicContact NH2-OE2 2.66Å; R531-E693 PolarHBondContact NH2-OE2 2.87Å; E691-E693 VanDerWaalsContact C-N 3.27Å; E691-E693 PolarHBondContact O-N 3.42Å; E691-E693 VanDerWaalsContact O-N 3.14Å |
| 694 | M | 38.3 | Very low | 36.1 | Very low | 106 Ų | 106 | 101.6 Ų | 101.6 | 52% | 0.522 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -86.8 | -14.6 | -177.8 | -71.7 | -177.8 | 62.9 | 0 | 0 | 115.2 | F692 Q725 | F692-M694 PolarHBondContact O-N 2.99Å; M694-Q725 HydrophobicContact CE-CB 4.42Å |
| 695 | D | 39 | Very low | 35.8 | Very low | 76 Ų | 76 | 108.2 Ų | 108.2 | 41% | 0.406 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -110.2 | -2 | -175.4 | -134.2 | 31.1 | 0 | 0 | 0 | 113.2 | R831 | D695-R831 IonicContact OD2-NH1 2.66Å; D695-R831 PolarHBondContact OD2-NH1 2.86Å |
| 696 | E | 35.8 | Very low | 35.5 | Very low | 94 Ų | 94 | 108.3 Ų | 108.3 | 44% | 0.439 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -84.8 | -10.2 | 179.1 | -68.5 | -160.1 | 142.4 | 0 | 0 | 114.4 | D698 | E696-D698 VanDerWaalsContact C-N 3.3Å; E696-D698 PolarHBondContact O-N 3.37Å |
| 697 | S | 38.1 | Very low | 35.4 | Very low | 92 Ų | 92 | 110.9 Ų | 110.9 | 64% | 0.643 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -20.5 | -172.7 | -171.3 | 0 | 0 | 0 | 0 | 115.6 | ||
| 698 | D | 36 | Very low | 35.3 | Very low | 143 Ų | 143 | 112.4 Ų | 112.4 | 77% | 0.765 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 12.8 | -171 | -72.2 | -18.2 | 0 | 0 | 0 | 113.4 | E696 | E696-D698 VanDerWaalsContact C-N 3.3Å; E696-D698 PolarHBondContact O-N 3.37Å |
| 699 | N | 32.9 | Very low | 35.5 | Very low | 141 Ų | 141 | 116.2 Ų | 116.2 | 75% | 0.754 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.4 | 0.5 | -177.1 | -88.7 | -78.4 | 0 | 0 | 0 | 117.1 | ||
| 700 | D | 35.3 | Very low | 35.6 | Very low | 60 Ų | 60 | 122.1 Ų | 122.1 | 32% | 0.321 | 63% | 0.625 | S | S | . | * | trans | -99.3 | 0.1 | -169 | -123.5 | 16.5 | 0 | 0 | 0 | 116.5 | L702 K703 | D700-L702 PolarHBondContact O-N 3.3Å; D700-K703 IonicContact OD1-NZ 2.62Å; D700-K703 PolarHBondContact OD1-NZ 2.87Å | ||
| 701 | D | 36.5 | Very low | 35.7 | Very low | 137 Ų | 137 | 122.8 Ų | 122.8 | 73% | 0.733 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 17 | 175.9 | -70.8 | -33.7 | 0 | 0 | 0 | 115.2 | I1004 | D701-I1004 HydrophobicContact CB-CD1 4.06Š|
| 702 | L | 34.6 | Very low | 35.9 | Very low | 163 Ų | 163 | 120.2 Ų | 120.2 | 85% | 0.853 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.1 | 22.9 | -171.4 | -93.8 | 163.5 | 0 | 0 | 0 | 114.6 | D700 | D700-L702 PolarHBondContact O-N 3.3Š|
| 703 | K | 34 | Very low | 36.8 | Very low | 158 Ų | 158 | 118.6 Ų | 118.6 | 69% | 0.687 | 62% | 0.618 | S | S | * | * | trans | -125.2 | 115.5 | 169.4 | -62.4 | -169.6 | -161.9 | 97.6 | 0 | 111.7 | D700 | D700-K703 IonicContact OD1-NZ 2.62Å; D700-K703 PolarHBondContact OD1-NZ 2.87Å | ||
| 704 | P | 32 | Very low | 37.3 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 81% | 0.805 | 62% | 0.621 | S | S | * | * | trans | -71.9 | 154.3 | 178.2 | 30.4 | -34.7 | 0 | 0 | 0 | 112.3 | ||||
| 705 | F | 28.5 | Very low | 38.4 | Very low | 221 Ų | 221 | 122 Ų | 122 | 97% | 0.969 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -33 | 138.5 | 175.4 | -70.2 | -101.3 | 0 | 0 | 0 | 116.2 | ||
| 706 | G | 29.4 | Very low | 39.5 | Very low | 66 Ų | 66 | 120.4 Ų | 120.4 | 68% | 0.68 | 62% | 0.621 | S | S | * | * | trans | 147.4 | 134.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 707 | I | 34.7 | Very low | 41 | Very low | 158 Ų | 158 | 119.5 Ų | 119.5 | 81% | 0.81 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 84.6 | 109.4 | 178.8 | -49.4 | 162.7 | 0 | 0 | 0 | 114.2 | K709 | I707-K709 PolarHBondContact O-N 3.48Š|
| 708 | D | 33.3 | Very low | 42.5 | Very low | 156 Ų | 156 | 115.4 Ų | 115.4 | 83% | 0.834 | 60% | 0.596 | S | S | * | * | trans | -56.5 | 119.3 | 173.3 | -55.9 | -65 | 0 | 0 | 0 | 111.9 | R710 | D708-R710 PolarHBondContact O-N 3.49Š| ||
| 709 | K | 40.1 | Very low | 44.4 | Very low | 131 Ų | 131 | 112 Ų | 112 | 57% | 0.57 | 58% | 0.576 | S | S | * | * | trans | -91.8 | 89.1 | 173.6 | -67 | -178.9 | -176.8 | 176.1 | 0 | 108.7 | I707 S711 | I707-K709 PolarHBondContact O-N 3.48Å; K709-S711 PolarHBondContact O-N 3.3Å | ||
| 710 | R | 37.8 | Very low | 46.4 | Very low | 227 Ų | 227 | 106 Ų | 106 | 86% | 0.857 | 55% | 0.545 | S | S | * | . | trans | -49.9 | 113.3 | 165.6 | -77.9 | -176.4 | 174.3 | 169.8 | -2.6 | 109 | D708 | D708-R710 PolarHBondContact O-N 3.49Š| ||
| 711 | S | 41.8 | Very low | 48.4 | Very low | 48 Ų | 48 | 106.1 Ų | 106.1 | 34% | 0.336 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 118.7 | 175 | 55 | 0 | 0 | 0 | 0 | 109.4 | K709 | K709-S711 PolarHBondContact O-N 3.3Å |
| 712 | S | 42.3 | Very low | 50.4 | Low | 37 Ų | 37 | 102 Ų | 102 | 26% | 0.259 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 128.5 | 170 | 56.1 | 0 | 0 | 0 | 0 | 109.6 | V533 | V533-S712 PolarHBondContact N-O 2.86Å; V533-S712 PolarHBondContact O-N 2.97Å |
| 713 | I | 52.9 | Low | 52.6 | Low | 70 Ų | 70 | 94.2 Ų | 94.2 | 36% | 0.359 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 128.8 | 167.8 | -57.8 | 174.8 | 0 | 0 | 0 | 107.7 | Q530 K532 | Q530-I713 HydrophobicContact CB-CG2 3.68Å; Q530-I713 HydrophobicContact CG-CG2 3.74Å; K532-I713 HydrophobicContact CG-CG1 4.08Å |
| 714 | R | 48.9 | Very low | 54.8 | Low | 115 Ų | 115 | 86.8 Ų | 86.8 | 43% | 0.434 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 143.3 | 171.1 | -69.8 | -171.5 | 177.2 | -158.9 | -3.1 | 109.7 | Q530 R531 E686 | Q530-R714 WeakPolarHBondContact CA-O 3.34Å; R531-R714 PolarHBondContact N-O 2.91Å; R531-R714 PolarHBondContact O-N 3.43Å; E686-R714 IonicContact OE1-CZ 3.53Å; E686-R714 IonicContact OE1-NH1 3.58Å; E686-R714 PolarHBondContact OE1-NH1 3.48Å; E686-R714 IonicContact OE1-NH2 3.39Å |
| 715 | E | 62.2 | Low | 57.2 | Low | 145 Ų | 145 | 82.9 Ų | 82.9 | 68% | 0.678 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 131 | 166.8 | -62.2 | -164.2 | 157.9 | 0 | 0 | 109.8 | V529 Q530 | V529-E715 CarbonylContact O-C 3.58Å; V529-E715 WeakPolarHBondContact O-CA 3.47Å; Q530-E715 HydrophobicContact CG-CG 4.34Å |
| 716 | V | 63.1 | Low | 59.9 | Low | 43 Ų | 43 | 75 Ų | 75 | 26% | 0.261 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 138.5 | -178.5 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | V529 R531 L718 | V529-V716 PolarHBondContact N-O 2.88Å; V529-V716 PolarHBondContact O-N 3.4Å; R531-V716 HydrophobicContact CB-CG2 4.14Å; V716-L718 PolarHBondContact O-N 3.44Å |
| 717 | S | 67.4 | Low | 62.5 | Low | 74 Ų | 74 | 71.9 Ų | 71.9 | 52% | 0.517 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 110.5 | 169.4 | 47.9 | 0 | 0 | 0 | 0 | 109.7 | ||
| 718 | L | 69 | Low | 64.9 | Low | 7 Ų | 7 | 64.8 Ų | 64.8 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.7 | 176.9 | -178.8 | 145 | 0 | 0 | 0 | 110.1 | S526 M527 V529 V716 I723 | S526-L718 CarbonylContact C-O 3.58Å; S526-L718 WeakPolarHBondContact CA-O 3.42Å; M527-L718 PolarHBondContact N-O 3.4Å; M527-L718 PolarHBondContact O-N 2.82Å; V529-L718 HydrophobicContact CG1-CB 4.07Å; V529-L718 HydrophobicContact CG2-CB 3.67Å; V529-L718 HydrophobicContact CG2-CD1 3.91Å; V529-L718 HydrophobicContact CG2-CG 4.45Å; V716-L718 PolarHBondContact O-N 3.44Å; L718-I723 HydrophobicContact CD1-CD1 3.8Å; L718-I723 HydrophobicContact CD1-CG1 3.87Å; L718-I723 HydrophobicContact CD2-CD1 3.53Å; L718-I723 HydrophobicContact CD2-CG1 3.96Å; L718-I723 HydrophobicContact CG-CD1 4.23Å; L718-I723 HydrophobicContact CG-CG1 4.29Å |
| 719 | Q | 75.1 | Confident | 67.3 | Low | 72 Ų | 72 | 59.3 Ų | 59.3 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | trans | -96 | 157 | 168.8 | -48.2 | -153.4 | -89.2 | 0 | 0 | 109.9 | G525 D721 D722 | G525-Q719 PolarHBondContact O-NE2 3.49Å; G525-Q719 VanDerWaalsContact O-NE2 3.1Å; Q719-D721 PolarHBondContact O-N 3.12Å; Q719-D722 PolarHBondContact N-OD2 3.16Å; Q719-D722 WeakPolarHBondContact O-CB 3.49Å; Q719-D722 PolarHBondContact O-N 2.93Å | ||
| 720 | A | 74.7 | Confident | 69.5 | Low | 13 Ų | 13 | 54.5 Ų | 54.5 | 11% | 0.107 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.8 | -37.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D517 C520 D722 I723 I724 | D517-A720 WeakPolarHBondContact OD1-CB 3.31Å; C520-A720 HydrophobicContact CB-CB 4.48Å; A720-D722 VanDerWaalsContact C-N 3.27Å; A720-D722 PolarHBondContact O-N 3.27Å; A720-I723 PolarHBondContact O-N 2.88Å; A720-I723 VanDerWaalsContact O-N 3.09Å; A720-I724 WeakPolarHBondContact O-CG1 3.24Å; A720-I724 PolarHBondContact O-N 3.14Å; A720-I724 VanDerWaalsContact O-N 3.1Å |
| 721 | D | 77.3 | Confident | 71.8 | Confident | 63 Ų | 63 | 46.7 Ų | 46.7 | 34% | 0.337 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.3 | -33.1 | 179.2 | -58.5 | -27.9 | 0 | 0 | 0 | 112.6 | Q719 I723 I724 Q725 | Q719-D721 PolarHBondContact O-N 3.12Å; D721-I723 VanDerWaalsContact C-N 3.25Å; D721-I723 PolarHBondContact O-N 3.38Å; D721-I724 PolarHBondContact O-N 3.02Å; D721-Q725 WeakPolarHBondContact O-CG 3.36Å; D721-Q725 PolarHBondContact O-N 3.07Å |
| 722 | D | 79.1 | Confident | 73.9 | Confident | 51 Ų | 51 | 44.4 Ų | 44.4 | 27% | 0.273 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.7 | -32.4 | 176.8 | -53 | -27.7 | 0 | 0 | 0 | 111.9 | Q719 A720 R726 | Q719-D722 PolarHBondContact N-OD2 3.16Å; Q719-D722 WeakPolarHBondContact O-CB 3.49Å; Q719-D722 PolarHBondContact O-N 2.93Å; A720-D722 VanDerWaalsContact C-N 3.27Å; A720-D722 PolarHBondContact O-N 3.27Å; D722-R726 WeakPolarHBondContact O-CG 3.25Å |
| 723 | I | 80.2 | Confident | 76.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -78.8 | -40.9 | 174.8 | -71.1 | -179.3 | 0 | 0 | 0 | 110.1 | R482 I486 L513 L516 L718 A720 D721 Q725 R726 Y727 | R482-I723 HydrophobicContact CG-CD1 3.95Å; I486-I723 HydrophobicContact CD1-CG2 4.4Å; L513-I723 HydrophobicContact CD2-CG2 3.79Å; L516-I723 HydrophobicContact CD1-CD1 4.18Å; L516-I723 HydrophobicContact CD2-CB 4.14Å; L516-I723 HydrophobicContact CD2-CD1 3.55Å; L516-I723 HydrophobicContact CD2-CG1 4.37Å; L516-I723 HydrophobicContact CD2-CG2 4.1Å; L516-I723 HydrophobicContact CG-CD1 4.5Å; L718-I723 HydrophobicContact CD1-CD1 3.8Å; L718-I723 HydrophobicContact CD1-CG1 3.87Å; L718-I723 HydrophobicContact CD2-CD1 3.53Å; L718-I723 HydrophobicContact CD2-CG1 3.96Å; L718-I723 HydrophobicContact CG-CD1 4.23Å; L718-I723 HydrophobicContact CG-CG1 4.29Å; A720-I723 PolarHBondContact O-N 2.88Å; A720-I723 VanDerWaalsContact O-N 3.09Å; D721-I723 VanDerWaalsContact C-N 3.25Å; D721-I723 PolarHBondContact O-N 3.38Å; I723-Q725 VanDerWaalsContact C-N 3.27Å; I723-Q725 PolarHBondContact O-N 3.09Å; I723-R726 WeakPolarHBondContact O-CB 3.31Å; I723-R726 PolarHBondContact O-N 2.85Å; I723-Y727 HydrophobicContact CG2-CD2 4.26Å; I723-Y727 HydrophobicContact CG2-CE2 3.85Å; I723-Y727 VanDerWaalsContact O-CD2 3.32Å; I723-Y727 WeakPolarHBondContact O-CD2 3.28Å; I723-Y727 PolarHBondContact O-N 3.02Å |
| 724 | I | 81.8 | Confident | 78 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.6 | -38.2 | 177.2 | -59.3 | 165.3 | 0 | 0 | 0 | 110.6 | A720 D721 R726 Y727 A728 M757 R760 V765 | A720-I724 WeakPolarHBondContact O-CG1 3.24Å; A720-I724 PolarHBondContact O-N 3.14Å; A720-I724 VanDerWaalsContact O-N 3.1Å; D721-I724 PolarHBondContact O-N 3.02Å; I724-R726 VanDerWaalsContact C-N 3.29Å; I724-R726 PolarHBondContact O-N 2.92Å; I724-Y727 WeakPolarHBondContact O-CB 3.49Å; I724-Y727 PolarHBondContact O-N 3.03Å; I724-Y727 VanDerWaalsContact O-N 3.11Å; I724-A728 PolarHBondContact O-N 2.97Å; I724-M757 HydrophobicContact CG2-CE 4.4Å; I724-R760 HydrophobicContact CG2-CB 4.05Å; I724-V765 HydrophobicContact CB-CG2 4.24Å; I724-V765 HydrophobicContact CG2-CG2 3.62Å |
| 725 | Q | 82.6 | Confident | 80 | Confident | 42 Ų | 42 | 38.4 Ų | 38.4 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.4 | -36.9 | 172.2 | -77.8 | 179 | 37.1 | 0 | 0 | 113.1 | M694 D721 I723 Y727 A728 V765 | M694-Q725 HydrophobicContact CE-CB 4.42Å; D721-Q725 WeakPolarHBondContact O-CG 3.36Å; D721-Q725 PolarHBondContact O-N 3.07Å; I723-Q725 VanDerWaalsContact C-N 3.27Å; I723-Q725 PolarHBondContact O-N 3.09Å; Q725-Y727 VanDerWaalsContact C-N 3.28Å; Q725-Y727 PolarHBondContact O-N 3.05Å; Q725-A728 WeakPolarHBondContact O-CB 3.37Å; Q725-A728 PolarHBondContact O-N 3.11Å; Q725-A728 VanDerWaalsContact O-N 3.07Å; Q725-V765 HydrophobicContact CG-CG1 3.49Å; Q725-V765 VanDerWaalsContact CG-CG1 3.49Å |
| 726 | R | 83.6 | Confident | 81.5 | Confident | 56 Ų | 56 | 31.6 Ų | 31.6 | 21% | 0.211 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.9 | -26 | 176.8 | -64.3 | 170.1 | -168.6 | -134.4 | -12 | 113.4 | E483 I486 D722 I723 I724 | E483-R726 IonicContact OE1-CZ 3.54Å; E483-R726 IonicContact OE1-NH1 2.9Å; E483-R726 PolarHBondContact OE1-NH1 3.02Å; I486-R726 HydrophobicContact CD1-CB 3.93Å; D722-R726 WeakPolarHBondContact O-CG 3.25Å; I723-R726 WeakPolarHBondContact O-CB 3.31Å; I723-R726 PolarHBondContact O-N 2.85Å; I724-R726 VanDerWaalsContact C-N 3.29Å; I724-R726 PolarHBondContact O-N 2.92Å |
| 727 | Y | 85.6 | Confident | 82.9 | Confident | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -80.2 | -15.8 | 171.7 | -74.5 | -82.5 | 0 | 0 | 0 | 113.4 | I486 L489 T509 L513 I723 I724 Q725 N729 M757 | I486-Y727 HydrophobicContact CB-CE1 4.36Å; I486-Y727 HydrophobicContact CD1-CD2 4.25Å; I486-Y727 HydrophobicContact CD1-CE2 3.85Å; I486-Y727 HydrophobicContact CG1-CD1 4.08Å; I486-Y727 HydrophobicContact CG1-CD2 4.01Å; I486-Y727 HydrophobicContact CG1-CE1 3.58Å; I486-Y727 HydrophobicContact CG1-CE2 3.49Å; I486-Y727 VanDerWaalsContact CG1-CE2 3.49Å; I486-Y727 HydrophobicContact CG1-CG 4.28Å; L489-Y727 HydrophobicContact CD2-CD1 3.95Å; L489-Y727 HydrophobicContact CD2-CE1 4.11Å; T509-Y727 HydrophobicContact CG2-CD1 4.34Å; T509-Y727 HydrophobicContact CG2-CE1 3.52Å; T509-Y727 HydrophobicContact CG2-CE2 4.36Å; T509-Y727 WeakPolarHBondContact CG2-OH 3.29Å; L513-Y727 HydrophobicContact CD1-CD2 4.4Å; L513-Y727 HydrophobicContact CD1-CE2 4.17Å; L513-Y727 HydrophobicContact CD2-CE2 4.03Å; L513-Y727 HydrophobicContact CG-CE2 4.44Å; I723-Y727 HydrophobicContact CG2-CD2 4.26Å; I723-Y727 HydrophobicContact CG2-CE2 3.85Å; I723-Y727 VanDerWaalsContact O-CD2 3.32Å; I723-Y727 WeakPolarHBondContact O-CD2 3.28Å; I723-Y727 PolarHBondContact O-N 3.02Å; I724-Y727 WeakPolarHBondContact O-CB 3.49Å; I724-Y727 PolarHBondContact O-N 3.03Å; I724-Y727 VanDerWaalsContact O-N 3.11Å; Q725-Y727 VanDerWaalsContact C-N 3.28Å; Q725-Y727 PolarHBondContact O-N 3.05Å; Y727-N729 PolarHBondContact O-N 2.97Å; Y727-M757 HydrophobicContact CD1-CE 4.11Å; Y727-M757 HydrophobicContact CD2-CE 3.9Å; Y727-M757 HydrophobicContact CG-CE 3.5Å; Y727-M757 VanDerWaalsContact CG-CE 3.5Å |
| 728 | A | 84.7 | Confident | 84 | Confident | 8 Ų | 8 | 29.7 Ų | 29.7 | 7% | 0.066 | 15% | 0.148 | C | C | . | . | trans | -76.1 | 59.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I724 Q725 V761 L767 M770 | I724-A728 PolarHBondContact O-N 2.97Å; Q725-A728 WeakPolarHBondContact O-CB 3.37Å; Q725-A728 PolarHBondContact O-N 3.11Å; Q725-A728 VanDerWaalsContact O-N 3.07Å; A728-V761 HydrophobicContact CB-CG1 3.99Å; A728-V761 HydrophobicContact CB-CG2 4.36Å; A728-L767 HydrophobicContact CB-CD1 3.78Å; A728-M770 HydrophobicContact CB-SD 4.12Å; A728-M770 VanDerWaalsContact O-CE 3.25Å; A728-M770 WeakPolarHBondContact O-CE 3.34Å | ||
| 729 | N | 84.3 | Confident | 85.1 | Confident | 41 Ų | 41 | 29.4 Ų | 29.4 | 22% | 0.219 | 15% | 0.146 | C | C | . | . | trans | -121.7 | 135.2 | 179.3 | -179.5 | -58.6 | 0 | 0 | 0 | 109.7 | Y727 T731 S732 L733 | Y727-N729 PolarHBondContact O-N 2.97Å; N729-T731 VanDerWaalsContact C-N 3.27Å; N729-T731 PolarHBondContact O-N 3.07Å; N729-T731 VanDerWaalsContact OD1-CB 3.23Å; N729-T731 WeakPolarHBondContact OD1-CB 3.48Å; N729-T731 PolarHBondContact OD1-N 3.22Å; N729-T731 PolarHBondContact OD1-OG1 3.1Å; N729-S732 PolarHBondContact O-N 3.31Å; N729-L733 WeakPolarHBondContact O-CG 3.36Å; N729-L733 PolarHBondContact O-N 3.4Å | ||
| 730 | P | 86.2 | Confident | 85.9 | Confident | 31 Ų | 31 | 26 Ų | 26 | 20% | 0.201 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -50.9 | -42 | 177.8 | -30.5 | 38 | 0 | 0 | 0 | 114.9 | S732 L733 Q734 M770 W827 K828 | P730-S732 PolarHBondContact O-N 2.93Å; P730-L733 PolarHBondContact O-N 3.14Å; P730-Q734 PolarHBondContact O-N 3.33Å; P730-M770 HydrophobicContact CG-CE 4.18Å; P730-W827 HydrophobicContact CB-CB 4.07Å; P730-W827 HydrophobicContact CB-CD2 4.24Å; P730-W827 HydrophobicContact CB-CE3 3.96Å; P730-W827 HydrophobicContact CB-CG 4.31Å; P730-K828 WeakPolarHBondContact CG-O 3.48Å |
| 731 | T | 85.4 | Confident | 86.7 | Confident | 63 Ų | 63 | 31.1 Ų | 31.1 | 39% | 0.387 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65.5 | -27.3 | -178.4 | -53.4 | 0 | 0 | 0 | 0 | 112.1 | K490 N729 Q734 W735 | K490-T731 WeakPolarHBondContact O-CG2 3.29Å; N729-T731 VanDerWaalsContact C-N 3.27Å; N729-T731 PolarHBondContact O-N 3.07Å; N729-T731 VanDerWaalsContact OD1-CB 3.23Å; N729-T731 WeakPolarHBondContact OD1-CB 3.48Å; N729-T731 PolarHBondContact OD1-N 3.22Å; N729-T731 PolarHBondContact OD1-OG1 3.1Å; T731-Q734 WeakPolarHBondContact O-CG 3.3Å; T731-Q734 PolarHBondContact O-NE2 2.94Å; T731-W735 PolarHBondContact O-NE1 3.21Å; T731-W735 VanDerWaalsContact O-NE1 3.14Å |
| 732 | S | 86.1 | Confident | 87.1 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -84.1 | -46.7 | 171.3 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | N729 P730 Q734 W735 Y736 | N729-S732 PolarHBondContact O-N 3.31Å; P730-S732 PolarHBondContact O-N 2.93Å; S732-Q734 VanDerWaalsContact C-N 3.32Å; S732-Q734 PolarHBondContact O-N 2.82Å; S732-W735 PolarHBondContact O-N 2.87Å; S732-W735 VanDerWaalsContact O-N 3.12Å; S732-Y736 WeakPolarHBondContact O-CD2 3.14Å |
| 733 | L | 89.9 | Confident | 87.5 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.5 | -32.9 | -176.1 | -69.9 | 172.9 | 0 | 0 | 0 | 113.6 | N729 P730 W735 Y736 F737 L758 V761 M770 L771 W827 | N729-L733 WeakPolarHBondContact O-CG 3.36Å; N729-L733 PolarHBondContact O-N 3.4Å; P730-L733 PolarHBondContact O-N 3.14Å; L733-W735 PolarHBondContact O-N 3.22Å; L733-Y736 PolarHBondContact O-N 2.58Å; L733-F737 PolarHBondContact O-N 3.26Å; L733-L758 HydrophobicContact CD2-CD2 3.94Å; L733-V761 HydrophobicContact CD1-CG1 4.37Å; L733-V761 HydrophobicContact CD2-CG1 4.48Å; L733-V761 HydrophobicContact CD2-CG2 4.43Å; L733-M770 HydrophobicContact CD1-CB 4.28Å; L733-M770 HydrophobicContact CD1-CE 3.9Å; L733-M770 HydrophobicContact CD1-SD 4.33Å; L733-L771 HydrophobicContact CD1-CD2 4.01Å; L733-L771 HydrophobicContact CD2-CD2 4.15Å; L733-W827 HydrophobicContact CB-CH2 4.39Å; L733-W827 HydrophobicContact CB-CZ3 3.97Å |
| 734 | Q | 90 | Very high | 87.8 | Confident | 62 Ų | 62 | 32.9 Ų | 32.9 | 29% | 0.29 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -57 | -32 | 174.6 | 64.1 | 177.5 | -14.2 | 0 | 0 | 113.4 | P730 T731 S732 F737 W738 W827 | P730-Q734 PolarHBondContact O-N 3.33Å; T731-Q734 WeakPolarHBondContact O-CG 3.3Å; T731-Q734 PolarHBondContact O-NE2 2.94Å; S732-Q734 VanDerWaalsContact C-N 3.32Å; S732-Q734 PolarHBondContact O-N 2.82Å; Q734-F737 PolarHBondContact O-N 2.72Å; Q734-W738 VanDerWaalsContact O-CB 3.32Å; Q734-W738 WeakPolarHBondContact O-CB 3.37Å; Q734-W738 PolarHBondContact O-N 2.92Å; Q734-W827 VanDerWaalsContact CA-CH2 3.47Å; Q734-W827 HydrophobicContact CB-CH2 3.82Å; Q734-W827 HydrophobicContact CB-CZ2 3.46Å; Q734-W827 VanDerWaalsContact CB-CZ2 3.46Å |
| 735 | W | 92.5 | Very high | 87.9 | Confident | 33 Ų | 33 | 41 Ų | 41 | 13% | 0.125 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -76.5 | -36.2 | -177 | -62.9 | 129.6 | 0 | 0 | 0 | 112.5 | L489 Y492 P494 L502 T731 S732 L733 W738 L739 | L489-W735 HydrophobicContact CD1-CB 4.33Å; L489-W735 VanDerWaalsContact O-CD1 3.29Å; Y492-W735 AromaticContact CD1-CD2 3.61Å; Y492-W735 HydrophobicContact CD1-CD2 3.61Å; Y492-W735 AromaticContact CD1-CE2 3.63Å; Y492-W735 AromaticContact CD1-CE3 3.84Å; Y492-W735 HydrophobicContact CD1-CE3 3.84Å; Y492-W735 HydrophobicContact CD1-CG 4.12Å; Y492-W735 HydrophobicContact CD1-CH2 4.21Å; Y492-W735 AromaticContact CD1-CZ2 3.95Å; Y492-W735 HydrophobicContact CD1-CZ2 3.95Å; Y492-W735 HydrophobicContact CD1-CZ3 4.14Å; Y492-W735 HydrophobicContact CE1-CD2 4.12Å; Y492-W735 AromaticContact CE1-CE3 3.86Å; Y492-W735 HydrophobicContact CE1-CE3 3.86Å; Y492-W735 HydrophobicContact CE1-CH2 4.37Å; Y492-W735 AromaticContact CE1-CZ3 4Å; Y492-W735 HydrophobicContact CE1-CZ3 4Å; Y492-W735 WeakPolarHBondContact O-CZ2 3.16Å; P494-W735 VanDerWaalsContact CD-CH2 3.44Å; P494-W735 HydrophobicContact CG-CH2 3.79Å; P494-W735 HydrophobicContact CG-CZ3 3.99Å; L502-W735 HydrophobicContact CD1-CB 3.94Å; L502-W735 HydrophobicContact CD1-CG 4.39Å; L502-W735 HydrophobicContact CD2-CB 3.94Å; L502-W735 HydrophobicContact CD2-CE3 4.46Å; L502-W735 HydrophobicContact CD2-CG 4.49Å; T731-W735 PolarHBondContact O-NE1 3.21Å; T731-W735 VanDerWaalsContact O-NE1 3.14Å; S732-W735 PolarHBondContact O-N 2.87Å; S732-W735 VanDerWaalsContact O-N 3.12Å; L733-W735 PolarHBondContact O-N 3.22Å; W735-W738 HydrophobicContact CE3-CB 4.29Å; W735-W738 HydrophobicContact CE3-CG 4.43Å; W735-W738 PolarHBondContact O-N 3.19Å; W735-L739 PolarHBondContact O-N 2.92Å |
| 736 | Y | 93.7 | Very high | 88 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.3 | -46.6 | 168.4 | -66.8 | -89.4 | 0 | 0 | 0 | 111 | L489 I506 S732 L733 W738 L739 L740 I754 M757 | L489-Y736 HydrophobicContact CD2-CE2 3.75Å; I506-Y736 HydrophobicContact CB-CE1 4.45Å; I506-Y736 HydrophobicContact CD1-CD1 3.69Å; I506-Y736 HydrophobicContact CD1-CE1 3.77Å; I506-Y736 HydrophobicContact CD1-CG 4.18Å; I506-Y736 HydrophobicContact CG1-CD1 4.32Å; I506-Y736 HydrophobicContact CG1-CE1 3.87Å; I506-Y736 HydrophobicContact CG2-CD1 4.31Å; I506-Y736 HydrophobicContact CG2-CE1 3.82Å; S732-Y736 WeakPolarHBondContact O-CD2 3.14Å; L733-Y736 PolarHBondContact O-N 2.58Å; Y736-W738 PolarHBondContact O-N 3.19Å; Y736-L739 PolarHBondContact O-N 2.65Å; Y736-L740 PolarHBondContact O-N 3.18Å; Y736-I754 HydrophobicContact CD1-CB 4.2Å; Y736-I754 HydrophobicContact CD1-CG1 4.03Å; Y736-I754 HydrophobicContact CD1-CG2 3.83Å; Y736-I754 HydrophobicContact CG-CG2 4.35Å; Y736-M757 HydrophobicContact CD1-CB 4.43Å; Y736-M757 HydrophobicContact CE1-CB 3.83Å; Y736-M757 HydrophobicContact CE1-CG 3.81Å; Y736-M757 HydrophobicContact CE2-CG 4.42Å |
| 737 | F | 92.6 | Very high | 88 | Confident | 9 Ų | 9 | 39.1 Ų | 39.1 | 4% | 0.039 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.2 | -36.9 | 177.1 | -68.6 | -4 | 0 | 0 | 0 | 112.7 | L733 Q734 L740 K741 L758 L771 Q773 F776 I779 W827 | L733-F737 PolarHBondContact O-N 3.26Å; Q734-F737 PolarHBondContact O-N 2.72Å; F737-L740 PolarHBondContact O-N 3.42Å; F737-K741 PolarHBondContact O-N 3.04Å; F737-K741 VanDerWaalsContact O-N 3.08Å; F737-L758 HydrophobicContact CD1-CD1 4.12Å; F737-L758 HydrophobicContact CD1-CD2 4.27Å; F737-L758 HydrophobicContact CE1-CD1 3.81Å; F737-L758 HydrophobicContact CE1-CD2 3.65Å; F737-L758 HydrophobicContact CE1-CG 4.39Å; F737-L771 HydrophobicContact CE1-CD2 4.35Å; F737-L771 HydrophobicContact CZ-CB 4.14Å; F737-L771 HydrophobicContact CZ-CD2 3.89Å; F737-Q773 HydrophobicContact CD2-CB 4.47Å; F737-Q773 HydrophobicContact CD2-CG 4.46Å; F737-Q773 HydrophobicContact CE2-CB 3.93Å; F737-Q773 HydrophobicContact CE2-CG 3.75Å; F737-F776 HydrophobicContact CD1-CB 4.45Å; F737-F776 AromaticContact CD1-CD2 3.74Å; F737-F776 HydrophobicContact CD1-CD2 3.74Å; F737-F776 HydrophobicContact CD1-CE2 4.28Å; F737-F776 HydrophobicContact CD1-CG 4.13Å; F737-F776 HydrophobicContact CD2-CB 3.95Å; F737-F776 HydrophobicContact CD2-CG 4.48Å; F737-F776 HydrophobicContact CE1-CB 4.23Å; F737-F776 HydrophobicContact CE1-CD1 4.17Å; F737-F776 AromaticContact CE1-CD2 3.74Å; F737-F776 HydrophobicContact CE1-CD2 3.74Å; F737-F776 HydrophobicContact CE1-CE2 4.18Å; F737-F776 AromaticContact CE1-CG 3.77Å; F737-F776 HydrophobicContact CE1-CG 3.77Å; F737-F776 HydrophobicContact CE2-CB 3.73Å; F737-F776 HydrophobicContact CE2-CG 4.17Å; F737-F776 HydrophobicContact CG-CB 4.32Å; F737-F776 HydrophobicContact CG-CD2 4.22Å; F737-F776 HydrophobicContact CG-CG 4.48Å; F737-F776 HydrophobicContact CZ-CB 3.87Å; F737-F776 HydrophobicContact CZ-CD1 4.08Å; F737-F776 HydrophobicContact CZ-CD2 4.23Å; F737-F776 AromaticContact CZ-CG 3.79Å; F737-F776 HydrophobicContact CZ-CG 3.79Å; F737-I779 WeakPolarHBondContact O-CD1 3.48Å; F737-W827 AromaticContact CD2-CH2 3.42Å; F737-W827 HydrophobicContact CD2-CH2 3.42Å; F737-W827 VanDerWaalsContact CD2-CH2 3.42Å; F737-W827 HydrophobicContact CD2-CZ2 4.15Å; F737-W827 HydrophobicContact CD2-CZ3 4.24Å; F737-W827 AromaticContact CE2-CH2 3.63Å; F737-W827 HydrophobicContact CE2-CH2 3.63Å; F737-W827 AromaticContact CE2-CZ3 3.98Å; F737-W827 HydrophobicContact CE2-CZ3 3.98Å; F737-W827 HydrophobicContact CG-CH2 4.38Å |
| 738 | W | 90.8 | Very high | 88.1 | Confident | 68 Ų | 68 | 44.3 Ų | 44.3 | 26% | 0.258 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.7 | -38.1 | 176.6 | -176.6 | 82.6 | 0 | 0 | 0 | 112.2 | K499 L502 Q734 W735 Y736 K741 | K499-W738 HydrophobicContact CB-CH2 4.03Å; K499-W738 HydrophobicContact CB-CZ3 4.29Å; K499-W738 HydrophobicContact CD-CH2 3.61Å; K499-W738 HydrophobicContact CD-CZ2 4.47Å; K499-W738 HydrophobicContact CD-CZ3 3.89Å; K499-W738 HydrophobicContact CG-CH2 3.72Å; K499-W738 HydrophobicContact CG-CZ3 3.69Å; L502-W738 HydrophobicContact CD2-CE3 3.77Å; L502-W738 HydrophobicContact CD2-CZ3 3.92Å; Q734-W738 VanDerWaalsContact O-CB 3.32Å; Q734-W738 WeakPolarHBondContact O-CB 3.37Å; Q734-W738 PolarHBondContact O-N 2.92Å; W735-W738 HydrophobicContact CE3-CB 4.29Å; W735-W738 HydrophobicContact CE3-CG 4.43Å; W735-W738 PolarHBondContact O-N 3.19Å; Y736-W738 PolarHBondContact O-N 3.19Å; W738-K741 WeakPolarHBondContact O-CB 3.38Å |
| 739 | L | 91.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.8 | -40.6 | 172.5 | -78.1 | 176 | 0 | 0 | 0 | 113.1 | K499 L502 K503 I506 W735 Y736 K741 D742 N746 I754 | K499-L739 HydrophobicContact CD-CD2 4.38Å; K499-L739 HydrophobicContact CG-CD2 4.07Å; L502-L739 HydrophobicContact CB-CD1 4.42Å; L502-L739 HydrophobicContact CD2-CD1 3.7Å; L502-L739 HydrophobicContact CD2-CD2 4.34Å; L502-L739 HydrophobicContact CD2-CG 3.77Å; L502-L739 HydrophobicContact CG-CD1 3.69Å; L502-L739 HydrophobicContact CG-CG 4.32Å; K503-L739 HydrophobicContact CG-CD1 4.42Å; K503-L739 HydrophobicContact CG-CD2 4.17Å; I506-L739 HydrophobicContact CD1-CD1 3.54Å; W735-L739 PolarHBondContact O-N 2.92Å; Y736-L739 PolarHBondContact O-N 2.65Å; L739-K741 PolarHBondContact O-N 2.82Å; L739-D742 PolarHBondContact O-N 3.36Å; L739-D742 VanDerWaalsContact O-N 3.16Å; L739-N746 PolarHBondContact O-ND2 3.37Å; L739-I754 HydrophobicContact CB-CD1 3.91Å |
| 740 | L | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.4 | -19.4 | 174.6 | -77.8 | -177.1 | 0 | 0 | 0 | 113.6 | Y736 F737 D742 F743 I754 L758 F776 I779 L799 | Y736-L740 PolarHBondContact O-N 3.18Å; F737-L740 PolarHBondContact O-N 3.42Å; L740-D742 PolarHBondContact O-N 3.14Å; L740-D742 VanDerWaalsContact O-N 3.15Å; L740-F743 HydrophobicContact CD2-CB 4.36Å; L740-F743 WeakPolarHBondContact O-CB 3.27Å; L740-F743 VanDerWaalsContact O-CD1 3.3Å; L740-F743 WeakPolarHBondContact O-CD1 3.25Å; L740-F743 PolarHBondContact O-N 2.97Å; L740-F743 VanDerWaalsContact O-N 3.08Å; L740-I754 HydrophobicContact CD1-CG2 3.66Å; L740-I754 HydrophobicContact CD2-CB 4.33Å; L740-I754 HydrophobicContact CD2-CD1 4.18Å; L740-I754 HydrophobicContact CD2-CG2 3.98Å; L740-I754 HydrophobicContact CG-CB 4.43Å; L740-I754 HydrophobicContact CG-CD1 4.29Å; L740-I754 HydrophobicContact CG-CG2 3.6Å; L740-L758 HydrophobicContact CD1-CD1 3.72Å; L740-F776 HydrophobicContact CD1-CE2 3.68Å; L740-F776 HydrophobicContact CD1-CZ 4.47Å; L740-I779 HydrophobicContact CB-CD1 4.08Å; L740-I779 HydrophobicContact CB-CG2 4.45Å; L740-L799 HydrophobicContact CD1-CD1 4.26Å; L740-L799 HydrophobicContact CD2-CD1 4.29Å; L740-L799 HydrophobicContact CD2-CD2 4.17Å |
| 741 | K | 89.8 | Confident | 89 | Confident | 121 Ų | 121 | 45.7 Ų | 45.7 | 53% | 0.526 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -30.8 | 173 | -171.5 | -179.9 | 176.1 | -177.7 | 0 | 112.6 | F737 W738 L739 I779 R782 | F737-K741 PolarHBondContact O-N 3.04Å; F737-K741 VanDerWaalsContact O-N 3.08Å; W738-K741 WeakPolarHBondContact O-CB 3.38Å; L739-K741 PolarHBondContact O-N 2.82Å; K741-I779 HydrophobicContact CB-CD1 4.42Å; K741-R782 PolarHBondContact O-NH1 3.37Å |
| 742 | D | 85.8 | Confident | 89.3 | Confident | 58 Ų | 58 | 44.9 Ų | 44.9 | 31% | 0.31 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 32.8 | 177.9 | -62.3 | -40.9 | 0 | 0 | 0 | 112 | K499 L739 L740 E744 K745 N746 | K499-D742 IonicContact NZ-OD2 2.7Å; K499-D742 PolarHBondContact NZ-OD2 3.11Å; L739-D742 PolarHBondContact O-N 3.36Å; L739-D742 VanDerWaalsContact O-N 3.16Å; L740-D742 PolarHBondContact O-N 3.14Å; L740-D742 VanDerWaalsContact O-N 3.15Å; D742-E744 PolarHBondContact O-N 2.99Å; D742-K745 PolarHBondContact O-N 3.46Å; D742-N746 PolarHBondContact O-N 3.16Å |
| 743 | F | 88.8 | Confident | 89.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -49.9 | -30.8 | -176.6 | 70.5 | -92.1 | 0 | 0 | 0 | 114.7 | L740 K745 N746 N751 I779 R782 L783 F792 H796 L799 | L740-F743 HydrophobicContact CD2-CB 4.36Å; L740-F743 WeakPolarHBondContact O-CB 3.27Å; L740-F743 VanDerWaalsContact O-CD1 3.3Å; L740-F743 WeakPolarHBondContact O-CD1 3.25Å; L740-F743 PolarHBondContact O-N 2.97Å; L740-F743 VanDerWaalsContact O-N 3.08Å; F743-K745 VanDerWaalsContact C-N 3.28Å; F743-K745 PolarHBondContact O-N 3.07Å; F743-N746 PolarHBondContact O-N 2.95Å; F743-N751 PolarHBondContact O-ND2 3.26Å; F743-I779 HydrophobicContact CD1-CG2 4.06Å; F743-I779 HydrophobicContact CE1-CG2 4.4Å; F743-R782 HydrophobicContact CE1-CB 4.34Å; F743-L783 HydrophobicContact CD1-CD2 4.42Å; F743-L783 HydrophobicContact CD2-CD2 3.79Å; F743-L783 HydrophobicContact CE1-CD2 4.12Å; F743-L783 HydrophobicContact CE1-CG 4.11Å; F743-L783 HydrophobicContact CE2-CD2 3.45Å; F743-L783 VanDerWaalsContact CE2-CD2 3.45Å; F743-L783 HydrophobicContact CE2-CG 4.29Å; F743-L783 HydrophobicContact CG-CD2 4.28Å; F743-L783 HydrophobicContact CZ-CD2 3.65Å; F743-L783 HydrophobicContact CZ-CG 3.97Å; F743-F792 AromaticContact CE2-CE2 3.8Å; F743-F792 HydrophobicContact CE2-CE2 3.8Å; F743-F792 AromaticContact CE2-CZ 3.56Å; F743-F792 HydrophobicContact CE2-CZ 3.56Å; F743-F792 HydrophobicContact CZ-CE2 4.21Å; F743-F792 AromaticContact CZ-CZ 3.84Å; F743-F792 HydrophobicContact CZ-CZ 3.84Å; F743-H796 AromaticContact CD2-CE1 3.67Å; F743-H796 AromaticContact CD2-ND1 3.88Å; F743-H796 AromaticContact CD2-NE2 3.91Å; F743-H796 AromaticContact CE2-NE2 3.94Å; F743-L799 HydrophobicContact CB-CD2 4.11Å; F743-L799 HydrophobicContact CD2-CD2 4.35Å; F743-L799 HydrophobicContact CG-CD2 4.24Å |
| 744 | E | 84.7 | Confident | 90 | Very high | 93 Ų | 93 | 44.8 Ų | 44.8 | 44% | 0.435 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -63.5 | -29.9 | 176.1 | -62.8 | 161.8 | -154.8 | 0 | 0 | 112.8 | D742 R782 | D742-E744 PolarHBondContact O-N 2.99Å; E744-R782 VanDerWaalsContact CD-NH2 3.34Å; E744-R782 IonicContact OE1-CZ 2.65Å; E744-R782 IonicContact OE1-NE 3.43Å; E744-R782 IonicContact OE1-NH2 3.5Å; E744-R782 PolarHBondContact OE1-NH2 3.39Å; E744-R782 IonicContact OE2-NH2 3.86Å |
| 745 | K | 83.9 | Confident | 90.2 | Very high | 171 Ų | 171 | 42 Ų | 42 | 74% | 0.743 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -101 | -1 | -178.7 | -61.4 | -176.9 | 177.7 | -178.8 | 0 | 113.7 | D742 F743 | D742-K745 PolarHBondContact O-N 3.46Å; F743-K745 VanDerWaalsContact C-N 3.28Å; F743-K745 PolarHBondContact O-N 3.07Å |
| 746 | N | 85.4 | Confident | 90.2 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -85.3 | 155.9 | 177.3 | -70.3 | -18.9 | 0 | 0 | 0 | 110.4 | L739 D742 F743 L750 N751 | L739-N746 PolarHBondContact O-ND2 3.37Å; D742-N746 PolarHBondContact O-N 3.16Å; F743-N746 PolarHBondContact O-N 2.95Å; N746-L750 HydrophobicContact CB-CD2 3.93Å; N746-L750 HydrophobicContact CB-CG 4.45Å; N746-N751 VanDerWaalsContact CB-OD1 3.23Å; N746-N751 WeakPolarHBondContact CB-OD1 3.39Å; N746-N751 PolarHBondContact ND2-OD1 3.31Å; N746-N751 VanDerWaalsContact ND2-OD1 3.14Å |
| 747 | S | 84.5 | Confident | 90.2 | Very high | 55 Ų | 55 | 42 Ų | 42 | 39% | 0.385 | 20% | 0.197 | S | C | . | . | trans | -64.8 | 157.9 | 168.2 | 61.8 | 0 | 0 | 0 | 0 | 109.9 | E507 R749 L750 N751 | E507-S747 PolarHBondContact OE1-OG 3.01Å; S747-R749 VanDerWaalsContact C-N 3.34Å; S747-L750 PolarHBondContact O-N 2.71Å; S747-L750 WeakPolarHBondContact OG-CB 3.37Å; S747-L750 PolarHBondContact OG-N 3.11Å; S747-N751 PolarHBondContact O-N 2.79Å; S747-N751 VanDerWaalsContact O-N 3.16Å | ||
| 748 | L | 86.7 | Confident | 90.2 | Very high | 109 Ų | 109 | 41.5 Ų | 41.5 | 57% | 0.571 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -60.7 | -44.7 | 173.8 | -70.6 | 175 | 0 | 0 | 0 | 111 | L750 N751 H752 R795 | L748-L750 PolarHBondContact O-N 3.23Å; L748-N751 PolarHBondContact O-N 3.08Å; L748-H752 WeakPolarHBondContact O-CB 3.41Å; L748-H752 PolarHBondContact O-N 3.33Å; L748-R795 HydrophobicContact CD2-CG 3.79Å; L748-R795 WeakPolarHBondContact CD2-O 3.48Å |
| 749 | R | 88.8 | Confident | 90.4 | Very high | 100 Ų | 100 | 42.7 Ų | 42.7 | 38% | 0.377 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.7 | -45.9 | 176.9 | -176.5 | 59.2 | 172.8 | 175.7 | -0.5 | 112.1 | H510 E514 S747 N751 H752 C753 | H510-R749 PolarHBondContact CD2-NH2 3.13Å; H510-R749 PolarHBondContact NE2-NH1 2.92Å; H510-R749 PolarHBondContact NE2-NH2 2.95Å; E514-R749 IonicContact OE1-NH1 2.65Å; E514-R749 IonicContact OE1-NH2 2.85Å; E514-R749 IonicContact OE2-NH2 3.65Å; E514-R749 PolarHBondContact OE2-NH2 3.41Å; S747-R749 VanDerWaalsContact C-N 3.34Å; R749-N751 PolarHBondContact O-N 2.85Å; R749-H752 WeakPolarHBondContact O-CB 3.49Å; R749-H752 PolarHBondContact O-N 3.26Å; R749-C753 PolarHBondContact O-N 2.84Å; R749-C753 PolarHBondContact O-SG 3.15Å |
| 750 | L | 91.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.8 | -45.5 | 178 | 178.7 | 62.3 | 0 | 0 | 0 | 112.2 | K503 I506 E507 N746 S747 L748 H752 C753 I754 | K503-L750 HydrophobicContact CB-CD1 4.38Å; K503-L750 HydrophobicContact CB-CD2 4.18Å; K503-L750 HydrophobicContact CD-CD2 3.72Å; K503-L750 HydrophobicContact CG-CD1 4.49Å; K503-L750 HydrophobicContact CG-CD2 3.58Å; I506-L750 HydrophobicContact CB-CD1 4.36Å; I506-L750 HydrophobicContact CG2-CD1 4.16Å; E507-L750 HydrophobicContact CG-CD1 4.15Å; E507-L750 WeakPolarHBondContact OE1-CB 3.3Å; E507-L750 PolarHBondContact OE1-N 3.38Å; N746-L750 HydrophobicContact CB-CD2 3.93Å; N746-L750 HydrophobicContact CB-CG 4.45Å; S747-L750 PolarHBondContact O-N 2.71Å; S747-L750 WeakPolarHBondContact OG-CB 3.37Å; S747-L750 PolarHBondContact OG-N 3.11Å; L748-L750 PolarHBondContact O-N 3.23Å; L750-H752 VanDerWaalsContact C-N 3.31Å; L750-H752 PolarHBondContact O-N 2.8Å; L750-C753 PolarHBondContact O-N 2.76Å; L750-I754 HydrophobicContact CD1-CD1 4.03Å; L750-I754 HydrophobicContact CD1-CG1 4.3Å; L750-I754 HydrophobicContact CG-CD1 3.95Å; L750-I754 WeakPolarHBondContact O-CD1 3.43Å; L750-I754 VanDerWaalsContact O-CG1 3.25Å; L750-I754 WeakPolarHBondContact O-CG1 3.29Å; L750-I754 PolarHBondContact O-N 3.3Å |
| 751 | N | 93.2 | Very high | 90.2 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.6 | -40.1 | 177.2 | -75.9 | -28.5 | 0 | 0 | 0 | 111.4 | F743 N746 S747 L748 R749 I754 V755 | F743-N751 PolarHBondContact O-ND2 3.26Å; N746-N751 VanDerWaalsContact CB-OD1 3.23Å; N746-N751 WeakPolarHBondContact CB-OD1 3.39Å; N746-N751 PolarHBondContact ND2-OD1 3.31Å; N746-N751 VanDerWaalsContact ND2-OD1 3.14Å; S747-N751 PolarHBondContact O-N 2.79Å; S747-N751 VanDerWaalsContact O-N 3.16Å; L748-N751 PolarHBondContact O-N 3.08Å; R749-N751 PolarHBondContact O-N 2.85Å; N751-I754 PolarHBondContact O-N 3.26Å; N751-V755 WeakPolarHBondContact O-CB 3.33Å; N751-V755 VanDerWaalsContact O-CG2 3.27Å; N751-V755 WeakPolarHBondContact O-CG2 3.46Å; N751-V755 PolarHBondContact O-N 2.99Å |
| 752 | H | 93.7 | Very high | 90.2 | Very high | 46 Ų | 46 | 38.1 Ų | 38.1 | 21% | 0.213 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.8 | -53.2 | 173.6 | 172.9 | 91 | 0 | 0 | 0 | 111.8 | H510 L748 R749 L750 I754 V755 V756 E798 | H510-H752 AromaticContact CE1-NE2 3.95Å; L748-H752 WeakPolarHBondContact O-CB 3.41Å; L748-H752 PolarHBondContact O-N 3.33Å; R749-H752 WeakPolarHBondContact O-CB 3.49Å; R749-H752 PolarHBondContact O-N 3.26Å; L750-H752 VanDerWaalsContact C-N 3.31Å; L750-H752 PolarHBondContact O-N 2.8Å; H752-I754 VanDerWaalsContact C-N 3.26Å; H752-I754 PolarHBondContact O-N 3.04Å; H752-V755 PolarHBondContact O-N 3.01Å; H752-V756 WeakPolarHBondContact O-CG2 3.39Å; H752-V756 PolarHBondContact O-N 3.24Å; H752-E798 IonicContact CE1-OE1 2.85Å; H752-E798 IonicContact CG-OE2 2.63Å; H752-E798 IonicContact ND1-OE1 2.78Å; H752-E798 PolarHBondContact ND1-OE1 3.48Å; H752-E798 VanDerWaalsContact ND1-OE1 3.09Å; H752-E798 IonicContact ND1-OE2 2.77Å; H752-E798 PolarHBondContact ND1-OE2 2.86Å |
| 753 | C | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -53.4 | -43.3 | 177.6 | -63 | 0 | 0 | 0 | 0 | 111.9 | I506 H510 R749 L750 M757 | I506-C753 HydrophobicContact CG2-CB 4.12Å; H510-C753 HydrophobicContact CB-CB 3.82Å; H510-C753 VanDerWaalsContact CD2-SG 3.51Å; R749-C753 PolarHBondContact O-N 2.84Å; R749-C753 PolarHBondContact O-SG 3.15Å; L750-C753 PolarHBondContact O-N 2.76Å; C753-M757 PolarHBondContact O-N 3.39Å; C753-M757 VanDerWaalsContact O-N 3.08Å |
| 754 | I | 94.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.5 | -46.5 | 176.8 | -61.9 | 162.5 | 0 | 0 | 0 | 111.3 | I506 Y736 L739 L740 L750 N751 H752 V756 M757 L758 | I506-I754 HydrophobicContact CD1-CG1 4.3Å; I506-I754 HydrophobicContact CG2-CG1 3.93Å; Y736-I754 HydrophobicContact CD1-CB 4.2Å; Y736-I754 HydrophobicContact CD1-CG1 4.03Å; Y736-I754 HydrophobicContact CD1-CG2 3.83Å; Y736-I754 HydrophobicContact CG-CG2 4.35Å; L739-I754 HydrophobicContact CB-CD1 3.91Å; L740-I754 HydrophobicContact CD1-CG2 3.66Å; L740-I754 HydrophobicContact CD2-CB 4.33Å; L740-I754 HydrophobicContact CD2-CD1 4.18Å; L740-I754 HydrophobicContact CD2-CG2 3.98Å; L740-I754 HydrophobicContact CG-CB 4.43Å; L740-I754 HydrophobicContact CG-CD1 4.29Å; L740-I754 HydrophobicContact CG-CG2 3.6Å; L750-I754 HydrophobicContact CD1-CD1 4.03Å; L750-I754 HydrophobicContact CD1-CG1 4.3Å; L750-I754 HydrophobicContact CG-CD1 3.95Å; L750-I754 WeakPolarHBondContact O-CD1 3.43Å; L750-I754 VanDerWaalsContact O-CG1 3.25Å; L750-I754 WeakPolarHBondContact O-CG1 3.29Å; L750-I754 PolarHBondContact O-N 3.3Å; N751-I754 PolarHBondContact O-N 3.26Å; H752-I754 VanDerWaalsContact C-N 3.26Å; H752-I754 PolarHBondContact O-N 3.04Å; I754-V756 PolarHBondContact O-N 3.39Å; I754-M757 PolarHBondContact O-N 2.88Å; I754-L758 HydrophobicContact CG2-CD1 3.78Å; I754-L758 HydrophobicContact CG2-CG 4.21Å; I754-L758 WeakPolarHBondContact O-CB 3.37Å; I754-L758 VanDerWaalsContact O-CG 3.28Å; I754-L758 WeakPolarHBondContact O-CG 3.46Å; I754-L758 PolarHBondContact O-N 3.26Å |
| 755 | V | 94.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.4 | -41 | -180 | 168.7 | 0 | 0 | 0 | 0 | 111.6 | N751 H752 R759 E798 L799 F802 | N751-V755 WeakPolarHBondContact O-CB 3.33Å; N751-V755 VanDerWaalsContact O-CG2 3.27Å; N751-V755 WeakPolarHBondContact O-CG2 3.46Å; N751-V755 PolarHBondContact O-N 2.99Å; H752-V755 PolarHBondContact O-N 3.01Å; V755-R759 VanDerWaalsContact O-CB 3.27Å; V755-R759 WeakPolarHBondContact O-CB 3.36Å; V755-R759 PolarHBondContact O-N 3.39Å; V755-E798 HydrophobicContact CG1-CB 4.42Å; V755-L799 HydrophobicContact CG2-CB 3.82Å; V755-L799 HydrophobicContact CG2-CD1 3.53Å; V755-L799 HydrophobicContact CG2-CG 4.19Å; V755-F802 HydrophobicContact CG1-CB 3.83Å; V755-F802 HydrophobicContact CG1-CD1 4.44Å; V755-F802 HydrophobicContact CG1-CG 4.15Å |
| 756 | V | 93.6 | Very high | 90.2 | Very high | 27 Ų | 27 | 33.4 Ų | 33.4 | 16% | 0.164 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.2 | -52.6 | 174.9 | 173.4 | 0 | 0 | 0 | 0 | 109.7 | H510 H752 I754 L758 R759 R760 | H510-V756 WeakPolarHBondContact CE1-CB 3.47Å; H510-V756 WeakPolarHBondContact CE1-CG1 3.4Å; H510-V756 WeakPolarHBondContact CE1-CG2 3.47Å; H752-V756 WeakPolarHBondContact O-CG2 3.39Å; H752-V756 PolarHBondContact O-N 3.24Å; I754-V756 PolarHBondContact O-N 3.39Å; V756-L758 VanDerWaalsContact C-N 3.34Å; V756-L758 PolarHBondContact O-N 3.23Å; V756-R759 CarbonylContact O-C 3.51Å; V756-R759 WeakPolarHBondContact O-CA 3.12Å; V756-R759 WeakPolarHBondContact O-CB 3.48Å; V756-R759 PolarHBondContact O-N 2.66Å; V756-R760 HydrophobicContact CG1-CG 4.22Å; V756-R760 VanDerWaalsContact O-CG 3.31Å; V756-R760 WeakPolarHBondContact O-CG 3.4Å; V756-R760 PolarHBondContact O-N 2.98Å |
| 757 | M | 93.1 | Very high | 90.2 | Very high | 8 Ų | 8 | 33.4 Ų | 33.4 | 4% | 0.039 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.9 | -42.6 | -178.5 | -167.9 | 61.7 | -175.3 | 0 | 0 | 113 | L513 I724 Y727 Y736 C753 I754 R759 R760 V761 | L513-M757 HydrophobicContact CD1-CE 4.06Å; L513-M757 HydrophobicContact CD1-SD 3.78Å; I724-M757 HydrophobicContact CG2-CE 4.4Å; Y727-M757 HydrophobicContact CD1-CE 4.11Å; Y727-M757 HydrophobicContact CD2-CE 3.9Å; Y727-M757 HydrophobicContact CG-CE 3.5Å; Y727-M757 VanDerWaalsContact CG-CE 3.5Å; Y736-M757 HydrophobicContact CD1-CB 4.43Å; Y736-M757 HydrophobicContact CE1-CB 3.83Å; Y736-M757 HydrophobicContact CE1-CG 3.81Å; Y736-M757 HydrophobicContact CE2-CG 4.42Å; C753-M757 PolarHBondContact O-N 3.39Å; C753-M757 VanDerWaalsContact O-N 3.08Å; I754-M757 PolarHBondContact O-N 2.88Å; M757-R759 VanDerWaalsContact C-N 3.31Å; M757-R759 PolarHBondContact O-N 3.45Å; M757-R760 PolarHBondContact O-N 3.03Å; M757-V761 HydrophobicContact CE-CG2 4.37Å; M757-V761 WeakPolarHBondContact O-CG2 3.39Å; M757-V761 PolarHBondContact O-N 3.49Å; M757-V761 VanDerWaalsContact O-N 3.08Å |
| 758 | L | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.1 | -33.4 | 175.5 | -66.1 | 176.7 | 0 | 0 | 0 | 112.2 | L733 F737 L740 I754 V756 A762 L771 F776 F802 | L733-L758 HydrophobicContact CD2-CD2 3.94Å; F737-L758 HydrophobicContact CD1-CD1 4.12Å; F737-L758 HydrophobicContact CD1-CD2 4.27Å; F737-L758 HydrophobicContact CE1-CD1 3.81Å; F737-L758 HydrophobicContact CE1-CD2 3.65Å; F737-L758 HydrophobicContact CE1-CG 4.39Å; L740-L758 HydrophobicContact CD1-CD1 3.72Å; I754-L758 HydrophobicContact CG2-CD1 3.78Å; I754-L758 HydrophobicContact CG2-CG 4.21Å; I754-L758 WeakPolarHBondContact O-CB 3.37Å; I754-L758 VanDerWaalsContact O-CG 3.28Å; I754-L758 WeakPolarHBondContact O-CG 3.46Å; I754-L758 PolarHBondContact O-N 3.26Å; V756-L758 VanDerWaalsContact C-N 3.34Å; V756-L758 PolarHBondContact O-N 3.23Å; L758-A762 WeakPolarHBondContact O-CB 3.06Å; L758-A762 PolarHBondContact O-N 3.48Å; L758-L771 HydrophobicContact CB-CD1 4.09Å; L758-L771 HydrophobicContact CD2-CD1 4.23Å; L758-L771 HydrophobicContact CD2-CD2 3.97Å; L758-L771 WeakPolarHBondContact O-CD1 3.36Å; L758-F776 HydrophobicContact CD1-CE2 4.47Å; L758-F776 HydrophobicContact CD1-CZ 4.43Å; L758-F802 HydrophobicContact CB-CE1 3.76Å; L758-F802 HydrophobicContact CB-CE2 4.44Å; L758-F802 HydrophobicContact CB-CZ 3.58Å; L758-F802 HydrophobicContact CD1-CE1 4.19Å |
| 759 | R | 93.5 | Very high | 90.7 | Very high | 92 Ų | 92 | 26 Ų | 26 | 35% | 0.347 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -67.4 | -43.3 | 173.2 | -174.7 | -177.9 | -67 | -178.5 | 0.3 | 111.7 | V755 V756 M757 A762 F763 F802 | V755-R759 VanDerWaalsContact O-CB 3.27Å; V755-R759 WeakPolarHBondContact O-CB 3.36Å; V755-R759 PolarHBondContact O-N 3.39Å; V756-R759 CarbonylContact O-C 3.51Å; V756-R759 WeakPolarHBondContact O-CA 3.12Å; V756-R759 WeakPolarHBondContact O-CB 3.48Å; V756-R759 PolarHBondContact O-N 2.66Å; M757-R759 VanDerWaalsContact C-N 3.31Å; M757-R759 PolarHBondContact O-N 3.45Å; R759-A762 PolarHBondContact O-N 3.08Å; R759-F763 HydrophobicContact CG-CD2 3.98Å; R759-F763 PolarHBondContact O-N 3.18Å; R759-F802 HydrophobicContact CB-CD2 4.1Å; R759-F802 HydrophobicContact CB-CE2 4.13Å |
| 760 | R | 90.5 | Very high | 90.7 | Very high | 24 Ų | 24 | 21.3 Ų | 21.3 | 9% | 0.091 | 10% | 0.098 | C | C | . | . | I | π-helix | trans | -56.7 | -54.6 | 175.6 | -57.5 | -152.3 | 177.9 | -171.2 | -6.4 | 110.8 | D517 I724 V756 M757 A762 E764 V765 | D517-R760 IonicContact OD1-NH1 2.82Å; D517-R760 PolarHBondContact OD1-NH1 2.88Å; D517-R760 IonicContact OD2-CZ 3.33Å; D517-R760 IonicContact OD2-NH1 3.69Å; D517-R760 PolarHBondContact OD2-NH1 3.29Å; D517-R760 IonicContact OD2-NH2 2.65Å; D517-R760 PolarHBondContact OD2-NH2 3.06Å; I724-R760 HydrophobicContact CG2-CB 4.05Å; V756-R760 HydrophobicContact CG1-CG 4.22Å; V756-R760 VanDerWaalsContact O-CG 3.31Å; V756-R760 WeakPolarHBondContact O-CG 3.4Å; V756-R760 PolarHBondContact O-N 2.98Å; M757-R760 PolarHBondContact O-N 3.03Å; R760-A762 VanDerWaalsContact C-N 3.32Å; R760-A762 PolarHBondContact O-N 2.92Å; R760-E764 VanDerWaalsContact CB-OE2 3.27Å; R760-E764 WeakPolarHBondContact CB-OE2 3.4Å; R760-E764 VanDerWaalsContact CD-OE2 3.22Å; R760-E764 WeakPolarHBondContact CD-OE2 3.41Å; R760-E764 WeakPolarHBondContact CG-OE2 3.46Å; R760-E764 IonicContact NE-OE2 2.72Å; R760-E764 WeakPolarHBondContact O-CA 3.11Å; R760-E764 WeakPolarHBondContact O-CB 3.37Å; R760-E764 PolarHBondContact O-N 3.37Å; R760-V765 PolarHBondContact O-N 2.97Å |
| 761 | V | 89.5 | Confident | 90.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | I | π-helix | trans | -59.6 | -40.5 | 178.5 | 174.4 | 0 | 0 | 0 | 0 | 112.2 | A728 L733 M757 L767 | A728-V761 HydrophobicContact CB-CG1 3.99Å; A728-V761 HydrophobicContact CB-CG2 4.36Å; L733-V761 HydrophobicContact CD1-CG1 4.37Å; L733-V761 HydrophobicContact CD2-CG1 4.48Å; L733-V761 HydrophobicContact CD2-CG2 4.43Å; M757-V761 HydrophobicContact CE-CG2 4.37Å; M757-V761 WeakPolarHBondContact O-CG2 3.39Å; M757-V761 PolarHBondContact O-N 3.49Å; M757-V761 VanDerWaalsContact O-N 3.08Å; V761-L767 HydrophobicContact CG1-CB 4.34Å; V761-L767 WeakPolarHBondContact O-CA 3.23Å; V761-L767 WeakPolarHBondContact O-CB 3.37Å; V761-L767 PolarHBondContact O-N 2.74Å |
| 762 | A | 90.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 2% | 0.017 | 10% | 0.096 | C | C | . | . | I | π-helix | trans | -73.1 | -43.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L758 R759 R760 H766 A768 L771 F802 L806 | L758-A762 WeakPolarHBondContact O-CB 3.06Å; L758-A762 PolarHBondContact O-N 3.48Å; R759-A762 PolarHBondContact O-N 3.08Å; R760-A762 VanDerWaalsContact C-N 3.32Å; R760-A762 PolarHBondContact O-N 2.92Å; A762-H766 CarbonylContact O-C 3.48Å; A762-H766 WeakPolarHBondContact O-CA 3.44Å; A762-A768 HydrophobicContact CB-CB 4.13Å; A762-A768 WeakPolarHBondContact O-CB 3.5Å; A762-A768 PolarHBondContact O-N 2.91Å; A762-L771 HydrophobicContact CB-CD1 3.84Å; A762-F802 HydrophobicContact CB-CE2 4.32Å; A762-L806 HydrophobicContact CB-CD1 4.38Å |
| 763 | F | 89.3 | Confident | 90.6 | Very high | 52 Ų | 52 | 19 Ų | 19 | 23% | 0.228 | 9% | 0.087 | C | C | . | . | I | π-helix | trans | -122.2 | -23.8 | -163.3 | -60.4 | -68.1 | 0 | 0 | 0 | 114.8 | R759 F802 Q805 | R759-F763 HydrophobicContact CG-CD2 3.98Å; R759-F763 PolarHBondContact O-N 3.18Å; F763-F802 HydrophobicContact CD2-CE2 4.33Å; F763-F802 HydrophobicContact CE2-CD2 4.05Å; F763-F802 AromaticContact CE2-CE2 3.78Å; F763-F802 HydrophobicContact CE2-CE2 3.78Å; F763-Q805 HydrophobicContact CE1-CG 4.04Å; F763-Q805 HydrophobicContact CE2-CB 4.34Å; F763-Q805 VanDerWaalsContact CE2-CD 3.45Å; F763-Q805 HydrophobicContact CE2-CG 3.89Å; F763-Q805 HydrophobicContact CZ-CB 4.1Å; F763-Q805 HydrophobicContact CZ-CG 3.5Å; F763-Q805 VanDerWaalsContact CZ-CG 3.5Å |
| 764 | E | 85.7 | Confident | 90.4 | Very high | 95 Ų | 95 | 20.9 Ų | 20.9 | 44% | 0.444 | 10% | 0.102 | S | C | . | . | I | π-helix | trans | -88.2 | -40.4 | 173.5 | -61.5 | 165.8 | -164.1 | 0 | 0 | 110.2 | R760 | R760-E764 VanDerWaalsContact CB-OE2 3.27Å; R760-E764 WeakPolarHBondContact CB-OE2 3.4Å; R760-E764 VanDerWaalsContact CD-OE2 3.22Å; R760-E764 WeakPolarHBondContact CD-OE2 3.41Å; R760-E764 WeakPolarHBondContact CG-OE2 3.46Å; R760-E764 IonicContact NE-OE2 2.72Å; R760-E764 WeakPolarHBondContact O-CA 3.11Å; R760-E764 WeakPolarHBondContact O-CB 3.37Å; R760-E764 PolarHBondContact O-N 3.37Å |
| 765 | V | 82.7 | Confident | 90.2 | Very high | 7 Ų | 7 | 23.9 Ų | 23.9 | 4% | 0.042 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -91.5 | -2.2 | 174.6 | -168.1 | 0 | 0 | 0 | 0 | 112.2 | I724 Q725 R760 L767 | I724-V765 HydrophobicContact CB-CG2 4.24Å; I724-V765 HydrophobicContact CG2-CG2 3.62Å; Q725-V765 HydrophobicContact CG-CG1 3.49Å; Q725-V765 VanDerWaalsContact CG-CG1 3.49Å; R760-V765 PolarHBondContact O-N 2.97Å; V765-L767 HydrophobicContact CG1-CD1 3.7Å; V765-L767 HydrophobicContact CG1-CG 4.03Å; V765-L767 PolarHBondContact O-N 2.6Å; V765-L767 VanDerWaalsContact O-N 3.12Å |
| 766 | H | 84.9 | Confident | 90.1 | Very high | 69 Ų | 69 | 23.8 Ų | 23.8 | 32% | 0.319 | 12% | 0.123 | S | C | . | . | trans | 57.9 | 17.1 | -178 | -54.3 | -71.8 | 0 | 0 | 0 | 116.1 | A762 A768 Q837 | A762-H766 CarbonylContact O-C 3.48Å; A762-H766 WeakPolarHBondContact O-CA 3.44Å; H766-A768 VanDerWaalsContact C-N 3.29Å; H766-A768 PolarHBondContact O-N 3.19Å; H766-Q837 PolarHBondContact O-OE1 3.11Å | ||
| 767 | L | 86.5 | Confident | 90 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | trans | -91.4 | 31.3 | -178.8 | -66.9 | 173.1 | 0 | 0 | 0 | 113.5 | A728 V761 V765 M770 A830 A833 | A728-L767 HydrophobicContact CB-CD1 3.78Å; V761-L767 HydrophobicContact CG1-CB 4.34Å; V761-L767 WeakPolarHBondContact O-CA 3.23Å; V761-L767 WeakPolarHBondContact O-CB 3.37Å; V761-L767 PolarHBondContact O-N 2.74Å; V765-L767 HydrophobicContact CG1-CD1 3.7Å; V765-L767 HydrophobicContact CG1-CG 4.03Å; V765-L767 PolarHBondContact O-N 2.6Å; V765-L767 VanDerWaalsContact O-N 3.12Å; L767-M770 HydrophobicContact CB-CG 4.1Å; L767-M770 HydrophobicContact CB-SD 3.93Å; L767-M770 HydrophobicContact CD1-SD 3.93Å; L767-M770 HydrophobicContact CG-SD 4.41Å; L767-M770 WeakPolarHBondContact O-CB 3.27Å; L767-M770 PolarHBondContact O-N 3.19Å; L767-A830 HydrophobicContact CD1-CB 3.9Å; L767-A830 HydrophobicContact CD2-CB 4.27Å; L767-A833 HydrophobicContact CD2-CB 4.22Å | ||
| 768 | A | 90.9 | Very high | 89.8 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 4% | 0.041 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -45.5 | -38.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | A762 H766 M770 L771 L806 | A762-A768 HydrophobicContact CB-CB 4.13Å; A762-A768 WeakPolarHBondContact O-CB 3.5Å; A762-A768 PolarHBondContact O-N 2.91Å; H766-A768 VanDerWaalsContact C-N 3.29Å; H766-A768 PolarHBondContact O-N 3.19Å; A768-M770 PolarHBondContact O-N 3.5Å; A768-L771 PolarHBondContact O-N 3.05Å; A768-L806 HydrophobicContact CB-CD1 4.17Å |
| 769 | P | 90 | Very high | 89.6 | Confident | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.013 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -61.5 | -25.2 | 178.7 | -23.8 | 35.2 | 0 | 0 | 0 | 115.3 | L771 Y772 L813 K828 A833 L836 Q837 | P769-L771 PolarHBondContact O-N 3.49Å; P769-Y772 VanDerWaalsContact CA-CD2 3.46Å; P769-Y772 HydrophobicContact CB-CD2 3.97Å; P769-Y772 HydrophobicContact CB-CE2 3.99Å; P769-Y772 HydrophobicContact CG-CE2 4.11Å; P769-Y772 WeakPolarHBondContact O-CB 3.43Å; P769-Y772 PolarHBondContact O-N 3.33Å; P769-Y772 VanDerWaalsContact O-N 3.16Å; P769-L813 HydrophobicContact CG-CD2 4.2Å; P769-K828 WeakPolarHBondContact O-CD 3.4Å; P769-K828 WeakPolarHBondContact O-CE 3.36Å; P769-A833 HydrophobicContact CB-CB 3.92Å; P769-L836 HydrophobicContact CB-CB 4.3Å; P769-Q837 HydrophobicContact CG-CB 4.25Å |
| 770 | M | 88.8 | Confident | 89.5 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -58.2 | -35.5 | 173.5 | -65.9 | -170.8 | 79.2 | 0 | 0 | 112 | A728 P730 L733 L767 A768 Y772 Q773 K828 A830 A833 | A728-M770 HydrophobicContact CB-SD 4.12Å; A728-M770 VanDerWaalsContact O-CE 3.25Å; A728-M770 WeakPolarHBondContact O-CE 3.34Å; P730-M770 HydrophobicContact CG-CE 4.18Å; L733-M770 HydrophobicContact CD1-CB 4.28Å; L733-M770 HydrophobicContact CD1-CE 3.9Å; L733-M770 HydrophobicContact CD1-SD 4.33Å; L767-M770 HydrophobicContact CB-CG 4.1Å; L767-M770 HydrophobicContact CB-SD 3.93Å; L767-M770 HydrophobicContact CD1-SD 3.93Å; L767-M770 HydrophobicContact CG-SD 4.41Å; L767-M770 WeakPolarHBondContact O-CB 3.27Å; L767-M770 PolarHBondContact O-N 3.19Å; A768-M770 PolarHBondContact O-N 3.5Å; M770-Y772 VanDerWaalsContact C-N 3.3Å; M770-Y772 PolarHBondContact O-N 2.96Å; M770-Q773 PolarHBondContact O-NE2 3.28Å; M770-K828 WeakPolarHBondContact CE-O 3.23Å; M770-A830 HydrophobicContact SD-CB 4.32Å; M770-A833 HydrophobicContact CB-CB 4.41Å; M770-A833 HydrophobicContact CG-CB 3.4Å; M770-A833 VanDerWaalsContact CG-CB 3.4Å |
| 771 | L | 92 | Very high | 89.4 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -82.2 | -6 | -177 | -51.7 | -166.2 | 0 | 0 | 0 | 113.6 | L733 F737 L758 A762 A768 P769 Q773 F802 L806 | L733-L771 HydrophobicContact CD1-CD2 4.01Å; L733-L771 HydrophobicContact CD2-CD2 4.15Å; F737-L771 HydrophobicContact CE1-CD2 4.35Å; F737-L771 HydrophobicContact CZ-CB 4.14Å; F737-L771 HydrophobicContact CZ-CD2 3.89Å; L758-L771 HydrophobicContact CB-CD1 4.09Å; L758-L771 HydrophobicContact CD2-CD1 4.23Å; L758-L771 HydrophobicContact CD2-CD2 3.97Å; L758-L771 WeakPolarHBondContact O-CD1 3.36Å; A762-L771 HydrophobicContact CB-CD1 3.84Å; A768-L771 PolarHBondContact O-N 3.05Å; P769-L771 PolarHBondContact O-N 3.49Å; L771-Q773 PolarHBondContact O-N 3.17Å; L771-F802 HydrophobicContact CD1-CZ 3.81Å; L771-L806 HydrophobicContact CB-CD1 4.28Å; L771-L806 HydrophobicContact CB-CD2 3.93Å; L771-L806 HydrophobicContact CD1-CD1 4.48Å; L771-L806 HydrophobicContact CD1-CD2 4.49Å |
| 772 | Y | 93 | Very high | 89.2 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | trans | -73.3 | 81.2 | 175 | -59.9 | -19.1 | 0 | 0 | 0 | 109.9 | P769 M770 F777 L806 S809 F810 L813 L820 V824 K828 | P769-Y772 VanDerWaalsContact CA-CD2 3.46Å; P769-Y772 HydrophobicContact CB-CD2 3.97Å; P769-Y772 HydrophobicContact CB-CE2 3.99Å; P769-Y772 HydrophobicContact CG-CE2 4.11Å; P769-Y772 WeakPolarHBondContact O-CB 3.43Å; P769-Y772 PolarHBondContact O-N 3.33Å; P769-Y772 VanDerWaalsContact O-N 3.16Å; M770-Y772 VanDerWaalsContact C-N 3.3Å; M770-Y772 PolarHBondContact O-N 2.96Å; Y772-F777 HydrophobicContact CD1-CE1 4.34Å; Y772-F777 AromaticContact CD1-CZ 3.97Å; Y772-F777 HydrophobicContact CD1-CZ 3.97Å; Y772-F777 HydrophobicContact CG-CZ 4.33Å; Y772-L806 HydrophobicContact CD1-CD1 4.29Å; Y772-L806 HydrophobicContact CD1-CG 4.37Å; Y772-L806 HydrophobicContact CE1-CD1 3.71Å; Y772-L806 HydrophobicContact CE1-CG 4Å; Y772-S809 VanDerWaalsContact OH-C 3.25Å; Y772-S809 WeakPolarHBondContact OH-CB 3.19Å; Y772-S809 PolarHBondContact OH-O 3.42Å; Y772-S809 PolarHBondContact OH-OG 2.9Å; Y772-F810 HydrophobicContact CD1-CB 4.19Å; Y772-F810 AromaticContact CD1-CD2 3.93Å; Y772-F810 HydrophobicContact CD1-CD2 3.93Å; Y772-F810 HydrophobicContact CD1-CG 4.49Å; Y772-F810 AromaticContact CD2-CD2 3.66Å; Y772-F810 HydrophobicContact CD2-CD2 3.66Å; Y772-F810 HydrophobicContact CD2-CE2 4.31Å; Y772-F810 HydrophobicContact CE1-CB 3.74Å; Y772-F810 HydrophobicContact CE1-CD2 4.17Å; Y772-F810 HydrophobicContact CE1-CG 4.45Å; Y772-F810 HydrophobicContact CE2-CB 4.44Å; Y772-F810 AromaticContact CE2-CD2 3.94Å; Y772-F810 HydrophobicContact CE2-CD2 3.94Å; Y772-F810 AromaticContact CG-CD2 3.69Å; Y772-F810 HydrophobicContact CG-CD2 3.69Å; Y772-F810 HydrophobicContact CG-CE2 4.35Å; Y772-F810 PolarHBondContact OH-N 2.88Å; Y772-L813 HydrophobicContact CE2-CD2 4.07Å; Y772-L820 HydrophobicContact CD2-CD2 4.12Å; Y772-V824 WeakPolarHBondContact O-CA 3.26Å; Y772-K828 PolarHBondContact O-NZ 2.95Å | ||
| 773 | Q | 92.1 | Very high | 89.1 | Confident | 6 Ų | 6 | 35.8 Ų | 35.8 | 3% | 0.028 | 17% | 0.172 | C | C | . | . | trans | -124.3 | 135.3 | -179.7 | -65.4 | -55.9 | -35.6 | 0 | 0 | 111.4 | F737 M770 L771 S775 F776 F777 F826 W827 | F737-Q773 HydrophobicContact CD2-CB 4.47Å; F737-Q773 HydrophobicContact CD2-CG 4.46Å; F737-Q773 HydrophobicContact CE2-CB 3.93Å; F737-Q773 HydrophobicContact CE2-CG 3.75Å; M770-Q773 PolarHBondContact O-NE2 3.28Å; L771-Q773 PolarHBondContact O-N 3.17Å; Q773-S775 PolarHBondContact O-N 3.13Å; Q773-F776 HydrophobicContact CB-CB 4.24Å; Q773-F776 PolarHBondContact O-N 3.36Å; Q773-F777 PolarHBondContact O-N 3.34Å; Q773-F826 PolarHBondContact NE2-O 3.18Å; Q773-F826 PolarHBondContact OE1-O 3.01Å; Q773-W827 HydrophobicContact CG-CD2 4.48Å; Q773-W827 HydrophobicContact CG-CE3 4.1Å; Q773-W827 HydrophobicContact CG-CH2 4.2Å; Q773-W827 HydrophobicContact CG-CZ3 3.97Å | ||
| 774 | A | 90.3 | Very high | 88.8 | Confident | 39 Ų | 39 | 34.5 Ų | 34.5 | 32% | 0.322 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58.4 | -35.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R778 V824 L825 | A774-R778 WeakPolarHBondContact O-CG 3.3Å; A774-R778 PolarHBondContact O-N 2.98Å; A774-R778 VanDerWaalsContact O-N 3.16Å; A774-V824 HydrophobicContact CB-CG1 3.93Å; A774-V824 WeakPolarHBondContact CB-O 3.35Å; A774-V824 PolarHBondContact N-O 3.4Å; A774-L825 HydrophobicContact CB-CD2 4.36Å |
| 775 | S | 88.7 | Confident | 88.5 | Confident | 63 Ų | 63 | 33.2 Ų | 33.2 | 44% | 0.441 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 174.9 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | Q773 R778 | Q773-S775 PolarHBondContact O-N 3.13Å; S775-R778 PolarHBondContact O-N 3.34Å |
| 776 | F | 91.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.1 | -41.9 | 178.9 | -170.9 | -124.9 | 0 | 0 | 0 | 112.1 | F737 L740 L758 Q773 R778 I779 L780 F802 L806 | F737-F776 HydrophobicContact CD1-CB 4.45Å; F737-F776 AromaticContact CD1-CD2 3.74Å; F737-F776 HydrophobicContact CD1-CD2 3.74Å; F737-F776 HydrophobicContact CD1-CE2 4.28Å; F737-F776 HydrophobicContact CD1-CG 4.13Å; F737-F776 HydrophobicContact CD2-CB 3.95Å; F737-F776 HydrophobicContact CD2-CG 4.48Å; F737-F776 HydrophobicContact CE1-CB 4.23Å; F737-F776 HydrophobicContact CE1-CD1 4.17Å; F737-F776 AromaticContact CE1-CD2 3.74Å; F737-F776 HydrophobicContact CE1-CD2 3.74Å; F737-F776 HydrophobicContact CE1-CE2 4.18Å; F737-F776 AromaticContact CE1-CG 3.77Å; F737-F776 HydrophobicContact CE1-CG 3.77Å; F737-F776 HydrophobicContact CE2-CB 3.73Å; F737-F776 HydrophobicContact CE2-CG 4.17Å; F737-F776 HydrophobicContact CG-CB 4.32Å; F737-F776 HydrophobicContact CG-CD2 4.22Å; F737-F776 HydrophobicContact CG-CG 4.48Å; F737-F776 HydrophobicContact CZ-CB 3.87Å; F737-F776 HydrophobicContact CZ-CD1 4.08Å; F737-F776 HydrophobicContact CZ-CD2 4.23Å; F737-F776 AromaticContact CZ-CG 3.79Å; F737-F776 HydrophobicContact CZ-CG 3.79Å; L740-F776 HydrophobicContact CD1-CE2 3.68Å; L740-F776 HydrophobicContact CD1-CZ 4.47Å; L758-F776 HydrophobicContact CD1-CE2 4.47Å; L758-F776 HydrophobicContact CD1-CZ 4.43Å; Q773-F776 HydrophobicContact CB-CB 4.24Å; Q773-F776 PolarHBondContact O-N 3.36Å; F776-R778 PolarHBondContact O-N 3.41Å; F776-I779 HydrophobicContact CD2-CB 4.45Å; F776-I779 HydrophobicContact CD2-CD1 4.27Å; F776-I779 WeakPolarHBondContact O-CA 3.4Å; F776-I779 WeakPolarHBondContact O-CB 3.46Å; F776-I779 PolarHBondContact O-N 2.65Å; F776-L780 HydrophobicContact CD1-CD1 4.26Å; F776-L780 HydrophobicContact CD1-CG 4.38Å; F776-L780 HydrophobicContact CE1-CD1 3.96Å; F776-L780 HydrophobicContact CE1-CD2 4.02Å; F776-L780 HydrophobicContact CE1-CG 4.08Å; F776-L780 HydrophobicContact CE2-CD2 4.25Å; F776-L780 HydrophobicContact CZ-CD2 3.72Å; F776-L780 HydrophobicContact CZ-CG 4.2Å; F776-L780 PolarHBondContact O-N 3.43Å; F776-F802 HydrophobicContact CE1-CE1 4.02Å; F776-F802 HydrophobicContact CZ-CD1 4.34Å; F776-F802 AromaticContact CZ-CE1 3.81Å; F776-F802 HydrophobicContact CZ-CE1 3.81Å; F776-L806 HydrophobicContact CD1-CD2 3.86Å; F776-L806 HydrophobicContact CE1-CD2 3.54Å |
| 777 | F | 92.4 | Very high | 87.7 | Confident | 40 Ų | 40 | 35.4 Ų | 35.4 | 18% | 0.175 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.8 | -27.4 | 174.9 | -67.2 | -10.8 | 0 | 0 | 0 | 113.1 | Y772 Q773 L780 Q781 L807 F810 V824 | Y772-F777 HydrophobicContact CD1-CE1 4.34Å; Y772-F777 AromaticContact CD1-CZ 3.97Å; Y772-F777 HydrophobicContact CD1-CZ 3.97Å; Y772-F777 HydrophobicContact CG-CZ 4.33Å; Q773-F777 PolarHBondContact O-N 3.34Å; F777-L780 HydrophobicContact CD1-CD1 4.11Å; F777-L780 PolarHBondContact O-N 2.91Å; F777-Q781 WeakPolarHBondContact O-CB 3.23Å; F777-Q781 PolarHBondContact O-N 3.38Å; F777-L807 HydrophobicContact CD1-CD2 4.25Å; F777-L807 HydrophobicContact CE1-CD2 4.16Å; F777-F810 HydrophobicContact CE2-CD1 4.43Å; F777-F810 HydrophobicContact CE2-CD2 4.15Å; F777-F810 HydrophobicContact CE2-CE1 4.33Å; F777-F810 HydrophobicContact CE2-CE2 4.03Å; F777-F810 HydrophobicContact CE2-CG 4.35Å; F777-F810 HydrophobicContact CE2-CZ 4.12Å; F777-F810 HydrophobicContact CZ-CB 4.42Å; F777-F810 HydrophobicContact CZ-CD1 4.4Å; F777-F810 AromaticContact CZ-CD2 3.83Å; F777-F810 HydrophobicContact CZ-CD2 3.83Å; F777-F810 HydrophobicContact CZ-CE2 4.18Å; F777-F810 AromaticContact CZ-CG 3.95Å; F777-F810 HydrophobicContact CZ-CG 3.95Å; F777-V824 HydrophobicContact CD2-CG1 3.96Å; F777-V824 HydrophobicContact CE2-CG1 3.99Å; F777-V824 HydrophobicContact CE2-CG2 3.81Å |
| 778 | R | 88.9 | Confident | 87 | Confident | 132 Ų | 132 | 46.5 Ų | 46.5 | 50% | 0.498 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.8 | -30.3 | 169.7 | -70 | -64 | -174.3 | 173.6 | 4.4 | 113.5 | T307 A774 S775 F776 R782 | T307-R778 PolarHBondContact OG1-NH1 3.41Å; T307-R778 VanDerWaalsContact OG1-NH1 3.12Å; A774-R778 WeakPolarHBondContact O-CG 3.3Å; A774-R778 PolarHBondContact O-N 2.98Å; A774-R778 VanDerWaalsContact O-N 3.16Å; S775-R778 PolarHBondContact O-N 3.34Å; F776-R778 PolarHBondContact O-N 3.41Å; R778-R782 PolarHBondContact O-N 3.15Å |
| 779 | I | 90.2 | Very high | 86.4 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.7 | -46.7 | 172.3 | -60.4 | 168.6 | 0 | 0 | 0 | 109.1 | F737 L740 K741 F743 F776 Q781 R782 L783 | F737-I779 WeakPolarHBondContact O-CD1 3.48Å; L740-I779 HydrophobicContact CB-CD1 4.08Å; L740-I779 HydrophobicContact CB-CG2 4.45Å; K741-I779 HydrophobicContact CB-CD1 4.42Å; F743-I779 HydrophobicContact CD1-CG2 4.06Å; F743-I779 HydrophobicContact CE1-CG2 4.4Å; F776-I779 HydrophobicContact CD2-CB 4.45Å; F776-I779 HydrophobicContact CD2-CD1 4.27Å; F776-I779 WeakPolarHBondContact O-CA 3.4Å; F776-I779 WeakPolarHBondContact O-CB 3.46Å; F776-I779 PolarHBondContact O-N 2.65Å; I779-Q781 VanDerWaalsContact C-N 3.28Å; I779-Q781 PolarHBondContact O-N 3.1Å; I779-R782 WeakPolarHBondContact O-CB 3.48Å; I779-R782 PolarHBondContact O-N 3.48Å; I779-L783 HydrophobicContact CG2-CD1 3.99Å; I779-L783 WeakPolarHBondContact O-CG 3.42Å; I779-L783 PolarHBondContact O-N 3.1Å |
| 780 | L | 90.6 | Very high | 85.7 | Confident | 14 Ų | 14 | 59.2 Ų | 59.2 | 7% | 0.073 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.1 | -37.9 | 173.8 | -59.2 | -171.6 | 0 | 0 | 0 | 112.5 | F776 F777 R782 L783 G784 L807 | F776-L780 HydrophobicContact CD1-CD1 4.26Å; F776-L780 HydrophobicContact CD1-CG 4.38Å; F776-L780 HydrophobicContact CE1-CD1 3.96Å; F776-L780 HydrophobicContact CE1-CD2 4.02Å; F776-L780 HydrophobicContact CE1-CG 4.08Å; F776-L780 HydrophobicContact CE2-CD2 4.25Å; F776-L780 HydrophobicContact CZ-CD2 3.72Å; F776-L780 HydrophobicContact CZ-CG 4.2Å; F776-L780 PolarHBondContact O-N 3.43Å; F777-L780 HydrophobicContact CD1-CD1 4.11Å; F777-L780 PolarHBondContact O-N 2.91Å; L780-R782 PolarHBondContact O-N 3.35Å; L780-L783 HydrophobicContact CD2-CD1 3.97Å; L780-L783 PolarHBondContact O-N 3.18Å; L780-G784 PolarHBondContact O-N 2.94Å; L780-L807 HydrophobicContact CB-CD1 4.48Å; L780-L807 HydrophobicContact CD1-CD1 4.06Å; L780-L807 HydrophobicContact CD1-CD2 4.3Å; L780-L807 HydrophobicContact CD1-CG 3.9Å |
| 781 | Q | 88.1 | Confident | 85 | Confident | 109 Ų | 109 | 63.4 Ų | 63.4 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 174 | -176.1 | 172.3 | 42.8 | 0 | 0 | 112.7 | F777 I779 A785 | F777-Q781 WeakPolarHBondContact O-CB 3.23Å; F777-Q781 PolarHBondContact O-N 3.38Å; I779-Q781 VanDerWaalsContact C-N 3.28Å; I779-Q781 PolarHBondContact O-N 3.1Å; Q781-A785 PolarHBondContact O-N 3.01Å |
| 782 | R | 86.8 | Confident | 84.5 | Confident | 96 Ų | 96 | 65.2 Ų | 65.2 | 36% | 0.362 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.4 | -46.8 | 175.6 | -77.2 | 174.5 | 59.7 | -162.1 | -1.1 | 111.7 | K741 F743 E744 R778 I779 L780 G784 A785 G786 | K741-R782 PolarHBondContact O-NH1 3.37Å; F743-R782 HydrophobicContact CE1-CB 4.34Å; E744-R782 VanDerWaalsContact CD-NH2 3.34Å; E744-R782 IonicContact OE1-CZ 2.65Å; E744-R782 IonicContact OE1-NE 3.43Å; E744-R782 IonicContact OE1-NH2 3.5Å; E744-R782 PolarHBondContact OE1-NH2 3.39Å; E744-R782 IonicContact OE2-NH2 3.86Å; R778-R782 PolarHBondContact O-N 3.15Å; I779-R782 WeakPolarHBondContact O-CB 3.48Å; I779-R782 PolarHBondContact O-N 3.48Å; L780-R782 PolarHBondContact O-N 3.35Å; R782-G784 VanDerWaalsContact C-N 3.28Å; R782-G784 PolarHBondContact O-N 3.46Å; R782-A785 WeakPolarHBondContact O-CB 3.47Å; R782-A785 PolarHBondContact O-N 3.33Å; R782-A785 VanDerWaalsContact O-N 3.11Å; R782-G786 PolarHBondContact O-N 3.48Å; R782-G786 VanDerWaalsContact O-N 3.14Å |
| 783 | L | 86.5 | Confident | 83.9 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55.8 | -45.6 | 174.1 | -70.2 | 157 | 0 | 0 | 0 | 111 | F743 I779 L780 A785 G786 R787 F792 H796 L799 | F743-L783 HydrophobicContact CD1-CD2 4.42Å; F743-L783 HydrophobicContact CD2-CD2 3.79Å; F743-L783 HydrophobicContact CE1-CD2 4.12Å; F743-L783 HydrophobicContact CE1-CG 4.11Å; F743-L783 HydrophobicContact CE2-CD2 3.45Å; F743-L783 VanDerWaalsContact CE2-CD2 3.45Å; F743-L783 HydrophobicContact CE2-CG 4.29Å; F743-L783 HydrophobicContact CG-CD2 4.28Å; F743-L783 HydrophobicContact CZ-CD2 3.65Å; F743-L783 HydrophobicContact CZ-CG 3.97Å; I779-L783 HydrophobicContact CG2-CD1 3.99Å; I779-L783 WeakPolarHBondContact O-CG 3.42Å; I779-L783 PolarHBondContact O-N 3.1Å; L780-L783 HydrophobicContact CD2-CD1 3.97Å; L780-L783 PolarHBondContact O-N 3.18Å; L783-A785 VanDerWaalsContact C-N 3.27Å; L783-A785 PolarHBondContact O-N 2.94Å; L783-G786 PolarHBondContact O-N 2.87Å; L783-G786 VanDerWaalsContact O-N 3.12Å; L783-R787 PolarHBondContact O-N 3.21Å; L783-F792 HydrophobicContact CD2-CE1 4.47Å; L783-F792 HydrophobicContact CD2-CZ 4.26Å; L783-H796 HydrophobicContact CD2-CB 4.28Å; L783-L799 HydrophobicContact CD1-CD1 4.05Å; L783-L799 HydrophobicContact CD1-CD2 3.82Å; L783-L799 HydrophobicContact CD1-CG 3.59Å; L783-L799 HydrophobicContact CD2-CD2 3.62Å; L783-L799 HydrophobicContact CD2-CG 3.93Å; L783-L799 HydrophobicContact CG-CD2 4.34Å; L783-L799 HydrophobicContact CG-CG 4.42Å |
| 784 | G | 83.2 | Confident | 83.3 | Confident | 25 Ų | 25 | 77 Ų | 77 | 26% | 0.258 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.7 | -32.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L780 R782 R787 | L780-G784 PolarHBondContact O-N 2.94Å; R782-G784 VanDerWaalsContact C-N 3.28Å; R782-G784 PolarHBondContact O-N 3.46Å; G784-R787 PolarHBondContact O-NE 3.28Å |
| 785 | A | 80.2 | Confident | 82.8 | Confident | 69 Ų | 69 | 81.6 Ų | 81.6 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -75.3 | -35.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q781 R782 L783 R787 | Q781-A785 PolarHBondContact O-N 3.01Å; R782-A785 WeakPolarHBondContact O-CB 3.47Å; R782-A785 PolarHBondContact O-N 3.33Å; R782-A785 VanDerWaalsContact O-N 3.11Å; L783-A785 VanDerWaalsContact C-N 3.27Å; L783-A785 PolarHBondContact O-N 2.94Å; A785-R787 VanDerWaalsContact C-N 3.3Å; A785-R787 PolarHBondContact O-N 3.35Å |
| 786 | G | 75.6 | Confident | 82.7 | Confident | 18 Ų | 18 | 79 Ų | 79 | 19% | 0.186 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -69.7 | -19.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R782 L783 R788 S789 F792 | R782-G786 PolarHBondContact O-N 3.48Å; R782-G786 VanDerWaalsContact O-N 3.14Å; L783-G786 PolarHBondContact O-N 2.87Å; L783-G786 VanDerWaalsContact O-N 3.12Å; G786-R788 PolarHBondContact O-N 3.34Å; G786-S789 PolarHBondContact O-N 3.49Å; G786-F792 WeakPolarHBondContact O-CD1 3.22Å |
| 787 | R | 74.6 | Confident | 82.6 | Confident | 103 Ų | 103 | 84.9 Ų | 84.9 | 39% | 0.389 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -13.9 | 179.6 | -75.1 | -168.9 | -69.6 | -161.3 | -3.9 | 116 | L783 G784 A785 R793 I800 E804 | L783-R787 PolarHBondContact O-N 3.21Å; G784-R787 PolarHBondContact O-NE 3.28Å; A785-R787 VanDerWaalsContact C-N 3.3Å; A785-R787 PolarHBondContact O-N 3.35Å; R787-R793 PolarHBondContact O-NE 3.44Å; R787-R793 PolarHBondContact O-NH2 2.65Å; R787-I800 HydrophobicContact CG-CD1 4.04Å; R787-I800 HydrophobicContact CG-CG1 4.45Å; R787-I800 HydrophobicContact CG-CG2 4.37Å; R787-E804 IonicContact CZ-OE1 2.76Å; R787-E804 IonicContact NH1-OE1 3.34Å; R787-E804 PolarHBondContact NH1-OE1 3.4Å |
| 788 | R | 73.3 | Confident | 82.5 | Confident | 238 Ų | 238 | 87.3 Ų | 87.3 | 90% | 0.898 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -26.9 | 175.5 | -66.4 | -177.1 | 179 | 167.7 | 1.3 | 113.9 | G786 | G786-R788 PolarHBondContact O-N 3.34Š|
| 789 | S | 76.8 | Confident | 82.5 | Confident | 53 Ų | 53 | 81.2 Ų | 81.2 | 37% | 0.371 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -90.3 | 130.8 | 175.9 | 176 | 0 | 0 | 0 | 0 | 110.6 | G786 S791 F792 R793 | G786-S789 PolarHBondContact O-N 3.49Å; S789-S791 PolarHBondContact OG-OG 2.99Å; S789-S791 VanDerWaalsContact OG-OG 3.07Å; S789-F792 PolarHBondContact O-N 3.38Å; S789-R793 WeakPolarHBondContact O-CB 3.17Å; S789-R793 PolarHBondContact O-N 3.31Å |
| 790 | R | 76 | Confident | 82.6 | Confident | 221 Ų | 221 | 81.6 Ų | 81.6 | 83% | 0.834 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.4 | -45.4 | 177.9 | -173.9 | 177.5 | 178.6 | 179.7 | -1.4 | 111.2 | F792 R793 E794 | R790-F792 PolarHBondContact O-N 2.95Å; R790-R793 PolarHBondContact O-N 3.41Å; R790-E794 PolarHBondContact O-N 3.25Å; R790-E794 VanDerWaalsContact O-N 3.09Å |
| 791 | S | 75.1 | Confident | 82.6 | Confident | 91 Ų | 91 | 83.1 Ų | 83.1 | 64% | 0.636 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64.7 | -39.6 | 179.2 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | S789 R795 | S789-S791 PolarHBondContact OG-OG 2.99Å; S789-S791 VanDerWaalsContact OG-OG 3.07Å; S791-R795 WeakPolarHBondContact O-CB 3.22Å; S791-R795 PolarHBondContact O-N 3.27Å; S791-R795 VanDerWaalsContact O-N 3.14Å |
| 792 | F | 80.7 | Confident | 82.9 | Confident | 38 Ų | 38 | 78 Ų | 78 | 17% | 0.167 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 174.4 | -176.9 | -83.1 | 0 | 0 | 0 | 111.9 | F743 L783 G786 S789 R790 R795 H796 | F743-F792 AromaticContact CE2-CE2 3.8Å; F743-F792 HydrophobicContact CE2-CE2 3.8Å; F743-F792 AromaticContact CE2-CZ 3.56Å; F743-F792 HydrophobicContact CE2-CZ 3.56Å; F743-F792 HydrophobicContact CZ-CE2 4.21Å; F743-F792 AromaticContact CZ-CZ 3.84Å; F743-F792 HydrophobicContact CZ-CZ 3.84Å; L783-F792 HydrophobicContact CD2-CE1 4.47Å; L783-F792 HydrophobicContact CD2-CZ 4.26Å; G786-F792 WeakPolarHBondContact O-CD1 3.22Å; S789-F792 PolarHBondContact O-N 3.38Å; R790-F792 PolarHBondContact O-N 2.95Å; F792-R795 PolarHBondContact O-N 2.77Å; F792-H796 AromaticContact CD2-CD2 3.8Å; F792-H796 HydrophobicContact CE1-CB 4.49Å; F792-H796 AromaticContact CE2-CD2 3.67Å; F792-H796 AromaticContact CZ-CD2 3.78Å; F792-H796 PolarHBondContact O-CD2 3.35Å; F792-H796 PolarHBondContact O-N 3.44Å; F792-H796 VanDerWaalsContact O-N 3.15Å |
| 793 | R | 79.7 | Confident | 83.1 | Confident | 135 Ų | 135 | 73.6 Ų | 73.6 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 180 | -172.1 | -173.8 | -59.1 | -179.4 | 2.3 | 111.4 | R787 S789 R790 H796 K797 I800 | R787-R793 PolarHBondContact O-NE 3.44Å; R787-R793 PolarHBondContact O-NH2 2.65Å; S789-R793 WeakPolarHBondContact O-CB 3.17Å; S789-R793 PolarHBondContact O-N 3.31Å; R790-R793 PolarHBondContact O-N 3.41Å; R793-H796 CarbonylContact O-C 3.45Å; R793-H796 PolarHBondContact O-N 3.02Å; R793-K797 WeakPolarHBondContact O-CA 3.32Å; R793-K797 PolarHBondContact O-N 3.06Å; R793-I800 HydrophobicContact CG-CD1 4.34Å |
| 794 | E | 79.8 | Confident | 83.3 | Confident | 119 Ų | 119 | 77.4 Ų | 77.4 | 56% | 0.556 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -66 | -44.2 | 179.8 | -153.1 | 60.1 | -138.8 | 0 | 0 | 111 | R790 H796 K797 | R790-E794 PolarHBondContact O-N 3.25Å; R790-E794 VanDerWaalsContact O-N 3.09Å; E794-H796 PolarHBondContact O-N 2.96Å; E794-H796 VanDerWaalsContact O-N 3.15Å; E794-K797 PolarHBondContact O-N 3.45Å; E794-K797 WeakPolarHBondContact OE1-CD 3.45Å; E794-K797 IonicContact OE1-NZ 3.13Å; E794-K797 PolarHBondContact OE1-NZ 3.4Å |
| 795 | R | 80.3 | Confident | 83.8 | Confident | 135 Ų | 135 | 80.3 Ų | 80.3 | 51% | 0.509 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60 | -26 | 178.3 | -165.5 | -179.1 | 176.6 | 155.7 | -3.7 | 114.1 | L748 S791 F792 | L748-R795 HydrophobicContact CD2-CG 3.79Å; L748-R795 WeakPolarHBondContact CD2-O 3.48Å; S791-R795 WeakPolarHBondContact O-CB 3.22Å; S791-R795 PolarHBondContact O-N 3.27Å; S791-R795 VanDerWaalsContact O-N 3.14Å; F792-R795 PolarHBondContact O-N 2.77Å |
| 796 | H | 86.4 | Confident | 84.4 | Confident | 8 Ų | 8 | 77 Ų | 77 | 4% | 0.037 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 21 | -174 | -60.3 | -58.6 | 0 | 0 | 0 | 114 | F743 L783 F792 R793 E794 E798 L799 I800 | F743-H796 AromaticContact CD2-CE1 3.67Å; F743-H796 AromaticContact CD2-ND1 3.88Å; F743-H796 AromaticContact CD2-NE2 3.91Å; F743-H796 AromaticContact CE2-NE2 3.94Å; L783-H796 HydrophobicContact CD2-CB 4.28Å; F792-H796 AromaticContact CD2-CD2 3.8Å; F792-H796 HydrophobicContact CE1-CB 4.49Å; F792-H796 AromaticContact CE2-CD2 3.67Å; F792-H796 AromaticContact CZ-CD2 3.78Å; F792-H796 PolarHBondContact O-CD2 3.35Å; F792-H796 PolarHBondContact O-N 3.44Å; F792-H796 VanDerWaalsContact O-N 3.15Å; R793-H796 CarbonylContact O-C 3.45Å; R793-H796 PolarHBondContact O-N 3.02Å; E794-H796 PolarHBondContact O-N 2.96Å; E794-H796 VanDerWaalsContact O-N 3.15Å; H796-E798 PolarHBondContact O-N 3.3Å; H796-L799 PolarHBondContact O-N 3.16Å; H796-I800 HydrophobicContact CB-CD1 4.26Å; H796-I800 WeakPolarHBondContact O-CG1 3.5Å; H796-I800 PolarHBondContact O-N 3Å |
| 797 | K | 89.3 | Confident | 85.3 | Confident | 124 Ų | 124 | 78.8 Ų | 78.8 | 54% | 0.539 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -52.4 | -49.9 | -174.7 | -174.1 | 178.1 | -175.3 | 173.1 | 0 | 113.9 | R793 E794 L799 I800 A801 | R793-K797 WeakPolarHBondContact O-CA 3.32Å; R793-K797 PolarHBondContact O-N 3.06Å; E794-K797 PolarHBondContact O-N 3.45Å; E794-K797 WeakPolarHBondContact OE1-CD 3.45Å; E794-K797 IonicContact OE1-NZ 3.13Å; E794-K797 PolarHBondContact OE1-NZ 3.4Å; K797-L799 PolarHBondContact O-N 3.43Å; K797-I800 PolarHBondContact O-N 3.41Å; K797-A801 WeakPolarHBondContact O-CB 3.11Å; K797-A801 PolarHBondContact O-N 3.17Å |
| 798 | E | 89.8 | Confident | 86.2 | Confident | 92 Ų | 92 | 77.5 Ų | 77.5 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | -179.7 | -60.8 | -176.3 | 154 | 0 | 0 | 112.8 | H752 V755 H796 A801 F802 | H752-E798 IonicContact CE1-OE1 2.85Å; H752-E798 IonicContact CG-OE2 2.63Å; H752-E798 IonicContact ND1-OE1 2.78Å; H752-E798 PolarHBondContact ND1-OE1 3.48Å; H752-E798 VanDerWaalsContact ND1-OE1 3.09Å; H752-E798 IonicContact ND1-OE2 2.77Å; H752-E798 PolarHBondContact ND1-OE2 2.86Å; V755-E798 HydrophobicContact CG1-CB 4.42Å; H796-E798 PolarHBondContact O-N 3.3Å; E798-A801 PolarHBondContact O-N 3.31Å; E798-F802 WeakPolarHBondContact O-CB 3.32Å; E798-F802 PolarHBondContact O-N 3.35Å |
| 799 | L | 90.4 | Very high | 87 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71.3 | -33.7 | -178.8 | 178.2 | 57.3 | 0 | 0 | 0 | 111.6 | L740 F743 V755 L783 H796 K797 G803 | L740-L799 HydrophobicContact CD1-CD1 4.26Å; L740-L799 HydrophobicContact CD2-CD1 4.29Å; L740-L799 HydrophobicContact CD2-CD2 4.17Å; F743-L799 HydrophobicContact CB-CD2 4.11Å; F743-L799 HydrophobicContact CD2-CD2 4.35Å; F743-L799 HydrophobicContact CG-CD2 4.24Å; V755-L799 HydrophobicContact CG2-CB 3.82Å; V755-L799 HydrophobicContact CG2-CD1 3.53Å; V755-L799 HydrophobicContact CG2-CG 4.19Å; L783-L799 HydrophobicContact CD1-CD1 4.05Å; L783-L799 HydrophobicContact CD1-CD2 3.82Å; L783-L799 HydrophobicContact CD1-CG 3.59Å; L783-L799 HydrophobicContact CD2-CD2 3.62Å; L783-L799 HydrophobicContact CD2-CG 3.93Å; L783-L799 HydrophobicContact CG-CD2 4.34Å; L783-L799 HydrophobicContact CG-CG 4.42Å; H796-L799 PolarHBondContact O-N 3.16Å; K797-L799 PolarHBondContact O-N 3.43Å; L799-G803 PolarHBondContact O-N 3.27Å |
| 800 | I | 90.7 | Very high | 87.8 | Confident | 18 Ų | 18 | 65.7 Ų | 65.7 | 9% | 0.092 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.4 | -50.1 | 171.1 | -69 | 161.6 | 0 | 0 | 0 | 110.2 | R787 R793 H796 K797 F802 G803 E804 | R787-I800 HydrophobicContact CG-CD1 4.04Å; R787-I800 HydrophobicContact CG-CG1 4.45Å; R787-I800 HydrophobicContact CG-CG2 4.37Å; R793-I800 HydrophobicContact CG-CD1 4.34Å; H796-I800 HydrophobicContact CB-CD1 4.26Å; H796-I800 WeakPolarHBondContact O-CG1 3.5Å; H796-I800 PolarHBondContact O-N 3Å; K797-I800 PolarHBondContact O-N 3.41Å; I800-F802 PolarHBondContact O-N 3.12Å; I800-G803 PolarHBondContact O-N 3.37Å; I800-G803 VanDerWaalsContact O-N 3.15Å; I800-E804 WeakPolarHBondContact CG2-OE1 3.45Å; I800-E804 WeakPolarHBondContact O-CG 3.33Å; I800-E804 PolarHBondContact O-N 2.77Å |
| 801 | A | 91.9 | Very high | 88.6 | Confident | 46 Ų | 46 | 61.2 Ų | 61.2 | 38% | 0.38 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K797 E798 G803 E804 Q805 | K797-A801 WeakPolarHBondContact O-CB 3.11Å; K797-A801 PolarHBondContact O-N 3.17Å; E798-A801 PolarHBondContact O-N 3.31Å; A801-G803 PolarHBondContact O-N 2.94Å; A801-E804 PolarHBondContact O-N 3.45Å; A801-Q805 WeakPolarHBondContact O-CB 3.47Å; A801-Q805 PolarHBondContact O-N 3.35Å |
| 802 | F | 93 | Very high | 89.4 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 173.2 | 172.5 | -112.1 | 0 | 0 | 0 | 112.2 | V755 L758 R759 A762 F763 L771 F776 E798 I800 E804 Q805 L806 | V755-F802 HydrophobicContact CG1-CB 3.83Å; V755-F802 HydrophobicContact CG1-CD1 4.44Å; V755-F802 HydrophobicContact CG1-CG 4.15Å; L758-F802 HydrophobicContact CB-CE1 3.76Å; L758-F802 HydrophobicContact CB-CE2 4.44Å; L758-F802 HydrophobicContact CB-CZ 3.58Å; L758-F802 HydrophobicContact CD1-CE1 4.19Å; R759-F802 HydrophobicContact CB-CD2 4.1Å; R759-F802 HydrophobicContact CB-CE2 4.13Å; A762-F802 HydrophobicContact CB-CE2 4.32Å; F763-F802 HydrophobicContact CD2-CE2 4.33Å; F763-F802 HydrophobicContact CE2-CD2 4.05Å; F763-F802 AromaticContact CE2-CE2 3.78Å; F763-F802 HydrophobicContact CE2-CE2 3.78Å; L771-F802 HydrophobicContact CD1-CZ 3.81Å; F776-F802 HydrophobicContact CE1-CE1 4.02Å; F776-F802 HydrophobicContact CZ-CD1 4.34Å; F776-F802 AromaticContact CZ-CE1 3.81Å; F776-F802 HydrophobicContact CZ-CE1 3.81Å; E798-F802 WeakPolarHBondContact O-CB 3.32Å; E798-F802 PolarHBondContact O-N 3.35Å; I800-F802 PolarHBondContact O-N 3.12Å; F802-E804 VanDerWaalsContact C-N 3.34Å; F802-E804 PolarHBondContact O-N 3.47Å; F802-Q805 PolarHBondContact O-N 2.76Å; F802-L806 HydrophobicContact CZ-CD2 4.49Å; F802-L806 WeakPolarHBondContact O-CB 3.47Å; F802-L806 PolarHBondContact O-N 2.93Å |
| 803 | G | 92 | Very high | 89.8 | Confident | 4 Ų | 4 | 61.7 Ų | 61.7 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L799 I800 A801 L807 | L799-G803 PolarHBondContact O-N 3.27Å; I800-G803 PolarHBondContact O-N 3.37Å; I800-G803 VanDerWaalsContact O-N 3.15Å; A801-G803 PolarHBondContact O-N 2.94Å; G803-L807 WeakPolarHBondContact O-CB 3.06Å; G803-L807 WeakPolarHBondContact O-CD1 3.29Å; G803-L807 WeakPolarHBondContact O-CG 3.33Å; G803-L807 PolarHBondContact O-N 3.29Å |
| 804 | E | 91.5 | Very high | 90.3 | Very high | 85 Ų | 85 | 57 Ų | 57 | 40% | 0.397 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.3 | -46.9 | 174.2 | -72.6 | 169 | -175.9 | 0 | 0 | 111.1 | R787 I800 A801 F802 L806 L807 T808 | R787-E804 IonicContact CZ-OE1 2.76Å; R787-E804 IonicContact NH1-OE1 3.34Å; R787-E804 PolarHBondContact NH1-OE1 3.4Å; I800-E804 WeakPolarHBondContact CG2-OE1 3.45Å; I800-E804 WeakPolarHBondContact O-CG 3.33Å; I800-E804 PolarHBondContact O-N 2.77Å; A801-E804 PolarHBondContact O-N 3.45Å; F802-E804 VanDerWaalsContact C-N 3.34Å; F802-E804 PolarHBondContact O-N 3.47Å; E804-L806 PolarHBondContact O-N 3.49Å; E804-L807 PolarHBondContact O-N 2.83Å; E804-T808 PolarHBondContact O-N 3.02Å; E804-T808 PolarHBondContact O-OG1 3.41Å |
| 805 | Q | 93.2 | Very high | 90.8 | Very high | 85 Ų | 85 | 56.5 Ų | 56.5 | 40% | 0.397 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 177.3 | -164.3 | -173.4 | -3.9 | 0 | 0 | 112.5 | F763 A801 F802 T808 S809 | F763-Q805 HydrophobicContact CE1-CG 4.04Å; F763-Q805 HydrophobicContact CE2-CB 4.34Å; F763-Q805 VanDerWaalsContact CE2-CD 3.45Å; F763-Q805 HydrophobicContact CE2-CG 3.89Å; F763-Q805 HydrophobicContact CZ-CB 4.1Å; F763-Q805 HydrophobicContact CZ-CG 3.5Å; F763-Q805 VanDerWaalsContact CZ-CG 3.5Å; A801-Q805 WeakPolarHBondContact O-CB 3.47Å; A801-Q805 PolarHBondContact O-N 3.35Å; F802-Q805 PolarHBondContact O-N 2.76Å; Q805-T808 PolarHBondContact O-N 3.28Å; Q805-S809 PolarHBondContact O-N 2.99Å; Q805-S809 VanDerWaalsContact O-N 3.11Å |
| 806 | L | 93 | Very high | 91.1 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 178.7 | -172 | 72.6 | 0 | 0 | 0 | 112.3 | A762 A768 L771 Y772 F776 F802 E804 S809 F810 | A762-L806 HydrophobicContact CB-CD1 4.38Å; A768-L806 HydrophobicContact CB-CD1 4.17Å; L771-L806 HydrophobicContact CB-CD1 4.28Å; L771-L806 HydrophobicContact CB-CD2 3.93Å; L771-L806 HydrophobicContact CD1-CD1 4.48Å; L771-L806 HydrophobicContact CD1-CD2 4.49Å; Y772-L806 HydrophobicContact CD1-CD1 4.29Å; Y772-L806 HydrophobicContact CD1-CG 4.37Å; Y772-L806 HydrophobicContact CE1-CD1 3.71Å; Y772-L806 HydrophobicContact CE1-CG 4Å; F776-L806 HydrophobicContact CD1-CD2 3.86Å; F776-L806 HydrophobicContact CE1-CD2 3.54Å; F802-L806 HydrophobicContact CZ-CD2 4.49Å; F802-L806 WeakPolarHBondContact O-CB 3.47Å; F802-L806 PolarHBondContact O-N 2.93Å; E804-L806 PolarHBondContact O-N 3.49Å; L806-S809 PolarHBondContact O-N 3.17Å; L806-F810 PolarHBondContact O-N 2.88Å |
| 807 | L | 93 | Very high | 91.1 | Very high | 55 Ų | 55 | 58.3 Ų | 58.3 | 29% | 0.288 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.9 | -37.1 | 176.1 | -75.4 | 170.7 | 0 | 0 | 0 | 111.9 | F777 L780 G803 E804 F810 F811 | F777-L807 HydrophobicContact CD1-CD2 4.25Å; F777-L807 HydrophobicContact CE1-CD2 4.16Å; L780-L807 HydrophobicContact CB-CD1 4.48Å; L780-L807 HydrophobicContact CD1-CD1 4.06Å; L780-L807 HydrophobicContact CD1-CD2 4.3Å; L780-L807 HydrophobicContact CD1-CG 3.9Å; G803-L807 WeakPolarHBondContact O-CB 3.06Å; G803-L807 WeakPolarHBondContact O-CD1 3.29Å; G803-L807 WeakPolarHBondContact O-CG 3.33Å; G803-L807 PolarHBondContact O-N 3.29Å; E804-L807 PolarHBondContact O-N 2.83Å; L807-F810 PolarHBondContact O-N 3.33Å; L807-F811 HydrophobicContact CB-CE2 4.49Å; L807-F811 HydrophobicContact CD2-CE2 4.39Å; L807-F811 WeakPolarHBondContact O-CD2 3.19Å; L807-F811 PolarHBondContact O-N 3.37Å |
| 808 | T | 93.6 | Very high | 91 | Very high | 77 Ų | 77 | 56.4 Ų | 56.4 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.9 | -52 | 172.5 | -60.4 | 0 | 0 | 0 | 0 | 110.5 | E804 Q805 F810 F811 E812 | E804-T808 PolarHBondContact O-N 3.02Å; E804-T808 PolarHBondContact O-OG1 3.41Å; Q805-T808 PolarHBondContact O-N 3.28Å; T808-F810 VanDerWaalsContact C-N 3.29Å; T808-F810 PolarHBondContact O-N 2.98Å; T808-F811 PolarHBondContact O-N 3.48Å; T808-F811 VanDerWaalsContact O-N 3.11Å; T808-E812 HydrophobicContact CG2-CG 4.43Å; T808-E812 WeakPolarHBondContact CG2-OE1 3.36Å; T808-E812 WeakPolarHBondContact O-CG 3.4Å; T808-E812 PolarHBondContact O-N 3.44Å |
| 809 | S | 91.4 | Very high | 90.8 | Very high | 32 Ų | 32 | 55.9 Ų | 55.9 | 22% | 0.224 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.7 | -38 | 177.1 | -168.8 | 0 | 0 | 0 | 0 | 112.9 | Y772 Q805 L806 E812 L813 | Y772-S809 VanDerWaalsContact OH-C 3.25Å; Y772-S809 WeakPolarHBondContact OH-CB 3.19Å; Y772-S809 PolarHBondContact OH-O 3.42Å; Y772-S809 PolarHBondContact OH-OG 2.9Å; Q805-S809 PolarHBondContact O-N 2.99Å; Q805-S809 VanDerWaalsContact O-N 3.11Å; L806-S809 PolarHBondContact O-N 3.17Å; S809-E812 PolarHBondContact O-N 2.98Å; S809-L813 WeakPolarHBondContact O-CB 3.49Å; S809-L813 PolarHBondContact O-N 3.31Å |
| 810 | F | 93 | Very high | 90.6 | Very high | 10 Ų | 10 | 55.7 Ų | 55.7 | 4% | 0.044 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 174.2 | 177.2 | -99.8 | 0 | 0 | 0 | 112.3 | Y772 F777 L806 L807 T808 E812 L813 L814 L820 L821 V824 | Y772-F810 HydrophobicContact CD1-CB 4.19Å; Y772-F810 AromaticContact CD1-CD2 3.93Å; Y772-F810 HydrophobicContact CD1-CD2 3.93Å; Y772-F810 HydrophobicContact CD1-CG 4.49Å; Y772-F810 AromaticContact CD2-CD2 3.66Å; Y772-F810 HydrophobicContact CD2-CD2 3.66Å; Y772-F810 HydrophobicContact CD2-CE2 4.31Å; Y772-F810 HydrophobicContact CE1-CB 3.74Å; Y772-F810 HydrophobicContact CE1-CD2 4.17Å; Y772-F810 HydrophobicContact CE1-CG 4.45Å; Y772-F810 HydrophobicContact CE2-CB 4.44Å; Y772-F810 AromaticContact CE2-CD2 3.94Å; Y772-F810 HydrophobicContact CE2-CD2 3.94Å; Y772-F810 AromaticContact CG-CD2 3.69Å; Y772-F810 HydrophobicContact CG-CD2 3.69Å; Y772-F810 HydrophobicContact CG-CE2 4.35Å; Y772-F810 PolarHBondContact OH-N 2.88Å; F777-F810 HydrophobicContact CE2-CD1 4.43Å; F777-F810 HydrophobicContact CE2-CD2 4.15Å; F777-F810 HydrophobicContact CE2-CE1 4.33Å; F777-F810 HydrophobicContact CE2-CE2 4.03Å; F777-F810 HydrophobicContact CE2-CG 4.35Å; F777-F810 HydrophobicContact CE2-CZ 4.12Å; F777-F810 HydrophobicContact CZ-CB 4.42Å; F777-F810 HydrophobicContact CZ-CD1 4.4Å; F777-F810 AromaticContact CZ-CD2 3.83Å; F777-F810 HydrophobicContact CZ-CD2 3.83Å; F777-F810 HydrophobicContact CZ-CE2 4.18Å; F777-F810 AromaticContact CZ-CG 3.95Å; F777-F810 HydrophobicContact CZ-CG 3.95Å; L806-F810 PolarHBondContact O-N 2.88Å; L807-F810 PolarHBondContact O-N 3.33Å; T808-F810 VanDerWaalsContact C-N 3.29Å; T808-F810 PolarHBondContact O-N 2.98Å; F810-E812 VanDerWaalsContact C-N 3.33Å; F810-L813 PolarHBondContact O-N 2.87Å; F810-L814 HydrophobicContact CE1-CD2 4.35Å; F810-L814 WeakPolarHBondContact O-CB 3.24Å; F810-L814 PolarHBondContact O-N 3.33Å; F810-L820 HydrophobicContact CE2-CB 4.17Å; F810-L821 HydrophobicContact CZ-CD2 4.31Å; F810-V824 HydrophobicContact CE2-CG2 3.64Å; F810-V824 HydrophobicContact CZ-CG2 4.08Å |
| 811 | F | 93.1 | Very high | 90.5 | Very high | 127 Ų | 127 | 60.1 Ų | 60.1 | 56% | 0.557 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -74.4 | -20.9 | -179.7 | -72.2 | -60.5 | 0 | 0 | 0 | 113.7 | L807 T808 L814 P815 | L807-F811 HydrophobicContact CB-CE2 4.49Å; L807-F811 HydrophobicContact CD2-CE2 4.39Å; L807-F811 WeakPolarHBondContact O-CD2 3.19Å; L807-F811 PolarHBondContact O-N 3.37Å; T808-F811 PolarHBondContact O-N 3.48Å; T808-F811 VanDerWaalsContact O-N 3.11Å; F811-L814 HydrophobicContact CD1-CD2 4.05Å; F811-L814 HydrophobicContact CE1-CD2 4.35Å; F811-P815 WeakPolarHBondContact O-CD 3.37Å |
| 812 | E | 91.6 | Very high | 90.4 | Very high | 123 Ų | 123 | 62.2 Ų | 62.2 | 58% | 0.575 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -75.7 | -33.2 | 169.6 | -73.4 | 171.9 | 172 | 0 | 0 | 112.8 | T808 S809 F810 | T808-E812 HydrophobicContact CG2-CG 4.43Å; T808-E812 WeakPolarHBondContact CG2-OE1 3.36Å; T808-E812 WeakPolarHBondContact O-CG 3.4Å; T808-E812 PolarHBondContact O-N 3.44Å; S809-E812 PolarHBondContact O-N 2.98Å; F810-E812 VanDerWaalsContact C-N 3.33Å |
| 813 | L | 89.9 | Confident | 90.1 | Very high | 16 Ų | 16 | 64.4 Ų | 64.4 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -84 | -29.7 | 178.2 | -163.8 | 69.3 | 0 | 0 | 0 | 112.7 | P769 Y772 S809 F810 K816 N817 L820 Q837 | P769-L813 HydrophobicContact CG-CD2 4.2Å; Y772-L813 HydrophobicContact CE2-CD2 4.07Å; S809-L813 WeakPolarHBondContact O-CB 3.49Å; S809-L813 PolarHBondContact O-N 3.31Å; F810-L813 PolarHBondContact O-N 2.87Å; L813-K816 HydrophobicContact CD1-CD 4.23Å; L813-K816 WeakPolarHBondContact O-CA 3.45Å; L813-K816 WeakPolarHBondContact O-CB 3.46Å; L813-K816 PolarHBondContact O-N 3.11Å; L813-N817 PolarHBondContact O-N 3.18Å; L813-L820 HydrophobicContact CB-CD1 3.96Å; L813-L820 HydrophobicContact CD2-CD1 3.72Å; L813-L820 HydrophobicContact CD2-CD2 4.4Å; L813-L820 HydrophobicContact CG-CD1 3.69Å; L813-Q837 HydrophobicContact CD1-CG 4.43Å |
| 814 | L | 89.7 | Confident | 90 | Very high | 38 Ų | 38 | 65 Ų | 65 | 20% | 0.199 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -40.8 | -178.3 | 178.8 | 64.2 | 0 | 0 | 0 | 114.9 | F810 F811 K816 N817 L820 L821 | F810-L814 HydrophobicContact CE1-CD2 4.35Å; F810-L814 WeakPolarHBondContact O-CB 3.24Å; F810-L814 PolarHBondContact O-N 3.33Å; F811-L814 HydrophobicContact CD1-CD2 4.05Å; F811-L814 HydrophobicContact CE1-CD2 4.35Å; L814-K816 VanDerWaalsContact C-N 3.28Å; L814-K816 PolarHBondContact O-N 2.9Å; L814-N817 CarbonylContact O-C 3.55Å; L814-N817 PolarHBondContact O-N 3.05Å; L814-L820 HydrophobicContact CD1-CB 4.33Å; L814-L821 HydrophobicContact CD1-CD1 4.26Å; L814-L821 HydrophobicContact CD1-CD2 3.77Å; L814-L821 HydrophobicContact CD1-CG 3.68Å; L814-L821 HydrophobicContact CD2-CD2 4.23Å |
| 815 | P | 89 | Confident | 89.9 | Confident | 108 Ų | 108 | 66.5 Ų | 66.5 | 70% | 0.701 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -27.1 | 173.3 | -23.3 | 34.4 | 0 | 0 | 0 | 114.1 | F811 | F811-P815 WeakPolarHBondContact O-CD 3.37Š|
| 816 | K | 87.3 | Confident | 89.7 | Confident | 167 Ų | 167 | 68.3 Ų | 68.3 | 73% | 0.726 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -36.4 | 178.9 | -59.7 | 177.9 | -178.3 | 173.5 | 0 | 111.6 | L813 L814 | L813-K816 HydrophobicContact CD1-CD 4.23Å; L813-K816 WeakPolarHBondContact O-CA 3.45Å; L813-K816 WeakPolarHBondContact O-CB 3.46Å; L813-K816 PolarHBondContact O-N 3.11Å; L814-K816 VanDerWaalsContact C-N 3.28Å; L814-K816 PolarHBondContact O-N 2.9Å |
| 817 | N | 86.1 | Confident | 89.4 | Confident | 14 Ų | 14 | 72.7 Ų | 72.7 | 8% | 0.075 | 37% | 0.374 | C | S | . | . | trans | -135.9 | 91.7 | -179.1 | -171.9 | -4.5 | 0 | 0 | 0 | 111.7 | L813 L814 N819 L820 L836 | L813-N817 PolarHBondContact O-N 3.18Å; L814-N817 CarbonylContact O-C 3.55Å; L814-N817 PolarHBondContact O-N 3.05Å; N817-N819 PolarHBondContact O-N 3.21Å; N817-N819 WeakPolarHBondContact OD1-CB 3.36Å; N817-N819 PolarHBondContact OD1-N 2.81Å; N817-L820 HydrophobicContact CB-CD1 4.08Å; N817-L820 HydrophobicContact CB-CG 4.17Å; N817-L820 WeakPolarHBondContact O-CB 3.46Å; N817-L820 WeakPolarHBondContact O-CD1 2.98Å; N817-L820 VanDerWaalsContact O-CG 3.27Å; N817-L820 WeakPolarHBondContact O-CG 3.27Å; N817-L820 PolarHBondContact O-N 2.89Å; N817-L836 WeakPolarHBondContact ND2-CD2 3.26Å; N817-L836 PolarHBondContact ND2-O 3.17Å; N817-L836 VanDerWaalsContact ND2-O 3.13Å | ||
| 818 | P | 87 | Confident | 89.2 | Confident | 84 Ų | 84 | 70.1 Ų | 70.1 | 55% | 0.545 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -16.7 | -177.9 | 27.3 | -35.2 | 0 | 0 | 0 | 113.8 | L820 L821 | P818-L820 PolarHBondContact O-N 3.41Å; P818-L821 PolarHBondContact O-N 3.05Å |
| 819 | N | 85.5 | Confident | 88.7 | Confident | 81 Ų | 81 | 67.9 Ų | 67.9 | 43% | 0.433 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -19.3 | 177.6 | -65.6 | -6.1 | 0 | 0 | 0 | 112.3 | N817 L821 V822 E823 Y840 | N817-N819 PolarHBondContact O-N 3.21Å; N817-N819 WeakPolarHBondContact OD1-CB 3.36Å; N817-N819 PolarHBondContact OD1-N 2.81Å; N819-L821 PolarHBondContact O-N 2.8Å; N819-V822 PolarHBondContact O-N 2.84Å; N819-E823 WeakPolarHBondContact O-CG 3.49Å; N819-E823 PolarHBondContact O-N 3.12Å; N819-E823 VanDerWaalsContact O-N 3.08Å; N819-Y840 HydrophobicContact CB-CE2 4.31Å; N819-Y840 WeakPolarHBondContact CB-OH 3.1Å; N819-Y840 WeakPolarHBondContact ND2-CE2 3.24Å; N819-Y840 PolarHBondContact ND2-OH 3.15Å |
| 820 | L | 87.3 | Confident | 88.2 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -49.4 | -31.2 | 176.6 | -75.3 | 169.6 | 0 | 0 | 0 | 113.7 | Y772 F810 L813 L814 N817 P818 V822 E823 V824 L836 | Y772-L820 HydrophobicContact CD2-CD2 4.12Å; F810-L820 HydrophobicContact CE2-CB 4.17Å; L813-L820 HydrophobicContact CB-CD1 3.96Å; L813-L820 HydrophobicContact CD2-CD1 3.72Å; L813-L820 HydrophobicContact CD2-CD2 4.4Å; L813-L820 HydrophobicContact CG-CD1 3.69Å; L814-L820 HydrophobicContact CD1-CB 4.33Å; N817-L820 HydrophobicContact CB-CD1 4.08Å; N817-L820 HydrophobicContact CB-CG 4.17Å; N817-L820 WeakPolarHBondContact O-CB 3.46Å; N817-L820 WeakPolarHBondContact O-CD1 2.98Å; N817-L820 VanDerWaalsContact O-CG 3.27Å; N817-L820 WeakPolarHBondContact O-CG 3.27Å; N817-L820 PolarHBondContact O-N 2.89Å; P818-L820 PolarHBondContact O-N 3.41Å; L820-V822 VanDerWaalsContact C-N 3.29Å; L820-V822 PolarHBondContact O-N 2.6Å; L820-E823 PolarHBondContact O-N 2.91Å; L820-V824 WeakPolarHBondContact O-CB 3.49Å; L820-V824 WeakPolarHBondContact O-CG2 3.46Å; L820-V824 PolarHBondContact O-N 3.3Å; L820-L836 HydrophobicContact CD2-CB 4.18Å; L820-L836 HydrophobicContact CD2-CD1 4.24Å; L820-L836 HydrophobicContact CD2-CD2 4.2Å; L820-L836 HydrophobicContact CD2-CG 4.44Å |
| 821 | L | 88.2 | Confident | 87.5 | Confident | 110 Ų | 110 | 71.6 Ų | 71.6 | 58% | 0.576 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.9 | -31.6 | 176.8 | -62.6 | 176.4 | 0 | 0 | 0 | 113.6 | F810 L814 P818 N819 | F810-L821 HydrophobicContact CZ-CD2 4.31Å; L814-L821 HydrophobicContact CD1-CD1 4.26Å; L814-L821 HydrophobicContact CD1-CD2 3.77Å; L814-L821 HydrophobicContact CD1-CG 3.68Å; L814-L821 HydrophobicContact CD2-CD2 4.23Å; P818-L821 PolarHBondContact O-N 3.05Å; N819-L821 PolarHBondContact O-N 2.8Å |
| 822 | V | 89.4 | Confident | 87.1 | Confident | 91 Ų | 91 | 70.1 Ų | 70.1 | 55% | 0.552 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -84.5 | -44.6 | 175.8 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | N819 L820 V824 L825 F826 | N819-V822 PolarHBondContact O-N 2.84Å; L820-V822 VanDerWaalsContact C-N 3.29Å; L820-V822 PolarHBondContact O-N 2.6Å; V822-V824 PolarHBondContact O-N 3.42Å; V822-L825 WeakPolarHBondContact O-CB 3.42Å; V822-L825 WeakPolarHBondContact O-CG 3.5Å; V822-L825 PolarHBondContact O-N 3.3Å; V822-F826 HydrophobicContact CG1-CE2 4.46Å |
| 823 | E | 87.8 | Confident | 86.8 | Confident | 45 Ų | 45 | 64.2 Ų | 64.2 | 21% | 0.21 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59 | -30.7 | -179.2 | -62.4 | -74.2 | -174.5 | 0 | 0 | 112.4 | N819 L820 L825 F826 K828 L836 Y840 | N819-E823 WeakPolarHBondContact O-CG 3.49Å; N819-E823 PolarHBondContact O-N 3.12Å; N819-E823 VanDerWaalsContact O-N 3.08Å; L820-E823 PolarHBondContact O-N 2.91Å; E823-L825 PolarHBondContact O-N 3.26Å; E823-F826 PolarHBondContact O-N 2.83Å; E823-F826 VanDerWaalsContact O-O 3.09Å; E823-K828 PolarHBondContact O-NZ 2.89Å; E823-L836 HydrophobicContact CB-CD1 4.25Å; E823-L836 HydrophobicContact CB-CD2 4.47Å; E823-L836 HydrophobicContact CG-CD1 4.31Å; E823-L836 HydrophobicContact CG-CD2 3.74Å; E823-Y840 PolarHBondContact OE1-OH 3.18Å |
| 824 | V | 90.4 | Very high | 86.4 | Confident | 16 Ų | 16 | 64.9 Ų | 64.9 | 10% | 0.097 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -13.2 | 173.9 | 160.8 | 0 | 0 | 0 | 0 | 114 | Y772 A774 F777 F810 L820 V822 | Y772-V824 WeakPolarHBondContact O-CA 3.26Å; A774-V824 HydrophobicContact CB-CG1 3.93Å; A774-V824 WeakPolarHBondContact CB-O 3.35Å; A774-V824 PolarHBondContact N-O 3.4Å; F777-V824 HydrophobicContact CD2-CG1 3.96Å; F777-V824 HydrophobicContact CE2-CG1 3.99Å; F777-V824 HydrophobicContact CE2-CG2 3.81Å; F810-V824 HydrophobicContact CE2-CG2 3.64Å; F810-V824 HydrophobicContact CZ-CG2 4.08Å; L820-V824 WeakPolarHBondContact O-CB 3.49Å; L820-V824 WeakPolarHBondContact O-CG2 3.46Å; L820-V824 PolarHBondContact O-N 3.3Å; V822-V824 PolarHBondContact O-N 3.42Å |
| 825 | L | 88.4 | Confident | 86.1 | Confident | 118 Ų | 118 | 64.4 Ų | 64.4 | 62% | 0.618 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -15.6 | 173.4 | -58.4 | 176.7 | 0 | 0 | 0 | 114.3 | A774 V822 E823 | A774-L825 HydrophobicContact CB-CD2 4.36Å; V822-L825 WeakPolarHBondContact O-CB 3.42Å; V822-L825 WeakPolarHBondContact O-CG 3.5Å; V822-L825 PolarHBondContact O-N 3.3Å; E823-L825 PolarHBondContact O-N 3.26Å |
| 826 | F | 89.3 | Confident | 85.9 | Confident | 123 Ų | 123 | 59.4 Ų | 59.4 | 54% | 0.539 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -123.2 | 143.8 | -171.9 | -56.8 | -73.4 | 0 | 0 | 0 | 112.5 | Q773 V822 E823 K828 | Q773-F826 PolarHBondContact NE2-O 3.18Å; Q773-F826 PolarHBondContact OE1-O 3.01Å; V822-F826 HydrophobicContact CG1-CE2 4.46Å; E823-F826 PolarHBondContact O-N 2.83Å; E823-F826 VanDerWaalsContact O-O 3.09Å; F826-K828 PolarHBondContact O-NZ 2.9Å |
| 827 | W | 86.8 | Confident | 85.7 | Confident | 91 Ų | 91 | 54.9 Ų | 54.9 | 35% | 0.345 | 28% | 0.279 | S | S | . | . | trans | -62.6 | 143.5 | 166.6 | -75.2 | 107.7 | 0 | 0 | 0 | 110.5 | P730 L733 Q734 F737 Q773 | P730-W827 HydrophobicContact CB-CB 4.07Å; P730-W827 HydrophobicContact CB-CD2 4.24Å; P730-W827 HydrophobicContact CB-CE3 3.96Å; P730-W827 HydrophobicContact CB-CG 4.31Å; L733-W827 HydrophobicContact CB-CH2 4.39Å; L733-W827 HydrophobicContact CB-CZ3 3.97Å; Q734-W827 VanDerWaalsContact CA-CH2 3.47Å; Q734-W827 HydrophobicContact CB-CH2 3.82Å; Q734-W827 HydrophobicContact CB-CZ2 3.46Å; Q734-W827 VanDerWaalsContact CB-CZ2 3.46Å; F737-W827 AromaticContact CD2-CH2 3.42Å; F737-W827 HydrophobicContact CD2-CH2 3.42Å; F737-W827 VanDerWaalsContact CD2-CH2 3.42Å; F737-W827 HydrophobicContact CD2-CZ2 4.15Å; F737-W827 HydrophobicContact CD2-CZ3 4.24Å; F737-W827 AromaticContact CE2-CH2 3.63Å; F737-W827 HydrophobicContact CE2-CH2 3.63Å; F737-W827 AromaticContact CE2-CZ3 3.98Å; F737-W827 HydrophobicContact CE2-CZ3 3.98Å; F737-W827 HydrophobicContact CG-CH2 4.38Å; Q773-W827 HydrophobicContact CG-CD2 4.48Å; Q773-W827 HydrophobicContact CG-CE3 4.1Å; Q773-W827 HydrophobicContact CG-CH2 4.2Å; Q773-W827 HydrophobicContact CG-CZ3 3.97Å | ||
| 828 | K | 87.5 | Confident | 85.4 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | trans | -122.9 | 130.7 | -176 | -60.1 | 147.7 | -173.9 | 72.4 | 0 | 108.9 | P730 P769 M770 Y772 E823 F826 E832 L836 | P730-K828 WeakPolarHBondContact CG-O 3.48Å; P769-K828 WeakPolarHBondContact O-CD 3.4Å; P769-K828 WeakPolarHBondContact O-CE 3.36Å; M770-K828 WeakPolarHBondContact CE-O 3.23Å; Y772-K828 PolarHBondContact O-NZ 2.95Å; E823-K828 PolarHBondContact O-NZ 2.89Å; F826-K828 PolarHBondContact O-NZ 2.9Å; K828-E832 WeakPolarHBondContact CA-OE2 2.97Å; K828-E832 HydrophobicContact CB-CB 4.1Å; K828-L836 HydrophobicContact CD-CD1 3.58Å; K828-L836 HydrophobicContact CG-CD1 3.97Å | ||
| 829 | S | 84.4 | Confident | 84.9 | Confident | 31 Ų | 31 | 56.4 Ų | 56.4 | 22% | 0.217 | 29% | 0.286 | C | S | . | . | trans | -60.5 | 164.3 | 163.1 | 59.8 | 0 | 0 | 0 | 0 | 111.4 | R831 E832 A833 | S829-R831 PolarHBondContact O-N 2.97Å; S829-E832 WeakPolarHBondContact CB-OE2 3.36Å; S829-E832 PolarHBondContact N-OE2 2.75Å; S829-E832 PolarHBondContact O-N 3.27Å; S829-E832 WeakPolarHBondContact OG-CB 3.13Å; S829-E832 VanDerWaalsContact OG-CD 3.29Å; S829-E832 VanDerWaalsContact OG-CG 3.24Å; S829-E832 WeakPolarHBondContact OG-CG 3.44Å; S829-E832 PolarHBondContact OG-N 3.33Å; S829-E832 VanDerWaalsContact OG-N 3.08Å; S829-E832 PolarHBondContact OG-OE2 2.91Å; S829-A833 WeakPolarHBondContact O-CB 3.47Å; S829-A833 PolarHBondContact O-N 3.18Å | ||
| 830 | A | 81.4 | Confident | 84.3 | Confident | 33 Ų | 33 | 58 Ų | 58 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.7 | -37.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L767 M770 A833 Y834 | L767-A830 HydrophobicContact CD1-CB 3.9Å; L767-A830 HydrophobicContact CD2-CB 4.27Å; M770-A830 HydrophobicContact SD-CB 4.32Å; A830-A833 PolarHBondContact O-N 3.41Å; A830-Y834 PolarHBondContact O-N 3.18Å |
| 831 | R | 78.5 | Confident | 83.3 | Confident | 86 Ų | 86 | 60.8 Ų | 60.8 | 33% | 0.325 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.7 | -52 | 173.3 | 174.3 | 174.8 | 174.6 | 173.9 | -1.7 | 112.8 | D695 S829 A833 Y834 E835 F843 | D695-R831 IonicContact OD2-NH1 2.66Å; D695-R831 PolarHBondContact OD2-NH1 2.86Å; S829-R831 PolarHBondContact O-N 2.97Å; R831-A833 VanDerWaalsContact C-N 3.28Å; R831-A833 PolarHBondContact O-N 3.42Å; R831-Y834 WeakPolarHBondContact O-CB 3.29Å; R831-Y834 PolarHBondContact O-N 3.43Å; R831-E835 IonicContact NE-OE1 3.65Å; R831-E835 PolarHBondContact NE-OE1 3.29Å; R831-E835 IonicContact NH2-OE1 3.59Å; R831-E835 PolarHBondContact O-N 2.73Å; R831-F843 HydrophobicContact CB-CD2 4.48Å; R831-F843 HydrophobicContact CB-CE2 4.26Å; R831-F843 HydrophobicContact CB-CZ 4.32Å; R831-F843 HydrophobicContact CG-CB 4.44Å; R831-F843 HydrophobicContact CG-CD1 3.81Å; R831-F843 HydrophobicContact CG-CD2 3.98Å; R831-F843 HydrophobicContact CG-CE1 3.95Å; R831-F843 HydrophobicContact CG-CE2 4.11Å; R831-F843 HydrophobicContact CG-CG 3.82Å; R831-F843 HydrophobicContact CG-CZ 4.1Å |
| 832 | E | 84.3 | Confident | 82.4 | Confident | 96 Ų | 96 | 57 Ų | 57 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.2 | -37.7 | 177.7 | -73.2 | 161.7 | 142.7 | 0 | 0 | 111.2 | K828 S829 Y834 E835 L836 | K828-E832 WeakPolarHBondContact CA-OE2 2.97Å; K828-E832 HydrophobicContact CB-CB 4.1Å; S829-E832 WeakPolarHBondContact CB-OE2 3.36Å; S829-E832 PolarHBondContact N-OE2 2.75Å; S829-E832 PolarHBondContact O-N 3.27Å; S829-E832 WeakPolarHBondContact OG-CB 3.13Å; S829-E832 VanDerWaalsContact OG-CD 3.29Å; S829-E832 VanDerWaalsContact OG-CG 3.24Å; S829-E832 WeakPolarHBondContact OG-CG 3.44Å; S829-E832 PolarHBondContact OG-N 3.33Å; S829-E832 VanDerWaalsContact OG-N 3.08Å; S829-E832 PolarHBondContact OG-OE2 2.91Å; E832-Y834 PolarHBondContact O-N 2.98Å; E832-E835 PolarHBondContact O-N 3.49Å; E832-L836 WeakPolarHBondContact O-CB 3.17Å; E832-L836 WeakPolarHBondContact O-CG 3.08Å; E832-L836 PolarHBondContact O-N 3.31Å |
| 833 | A | 84.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L767 P769 M770 S829 A830 R831 L836 Q837 | L767-A833 HydrophobicContact CD2-CB 4.22Å; P769-A833 HydrophobicContact CB-CB 3.92Å; M770-A833 HydrophobicContact CB-CB 4.41Å; M770-A833 HydrophobicContact CG-CB 3.4Å; M770-A833 VanDerWaalsContact CG-CB 3.4Å; S829-A833 WeakPolarHBondContact O-CB 3.47Å; S829-A833 PolarHBondContact O-N 3.18Å; A830-A833 PolarHBondContact O-N 3.41Å; R831-A833 VanDerWaalsContact C-N 3.28Å; R831-A833 PolarHBondContact O-N 3.42Å; A833-L836 PolarHBondContact O-N 3.35Å; A833-Q837 PolarHBondContact O-N 2.99Å |
| 834 | Y | 81.7 | Confident | 79.2 | Confident | 30 Ų | 30 | 56.8 Ų | 56.8 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 173.8 | -176.9 | -93.4 | 0 | 0 | 0 | 112.3 | A830 R831 E832 L836 Q837 H838 F843 L851 | A830-Y834 PolarHBondContact O-N 3.18Å; R831-Y834 WeakPolarHBondContact O-CB 3.29Å; R831-Y834 PolarHBondContact O-N 3.43Å; E832-Y834 PolarHBondContact O-N 2.98Å; Y834-L836 VanDerWaalsContact C-N 3.28Å; Y834-L836 PolarHBondContact O-N 3.34Å; Y834-Q837 PolarHBondContact O-N 3.26Å; Y834-H838 AromaticContact CD2-CE1 3.65Å; Y834-H838 AromaticContact CD2-ND1 3.39Å; Y834-H838 WeakPolarHBondContact CD2-ND1 3.46Å; Y834-H838 HydrophobicContact CE1-CB 4.4Å; Y834-H838 AromaticContact CE1-ND1 3.97Å; Y834-H838 AromaticContact CE2-CE1 3.39Å; Y834-H838 WeakPolarHBondContact CE2-CE1 3.44Å; Y834-H838 AromaticContact CE2-ND1 3.28Å; Y834-H838 VanDerWaalsContact CE2-ND1 3.28Å; Y834-H838 WeakPolarHBondContact CE2-ND1 3.37Å; Y834-H838 AromaticContact CG-ND1 3.81Å; Y834-H838 AromaticContact CZ-ND1 3.6Å; Y834-H838 PolarHBondContact O-N 3.4Å; Y834-H838 PolarHBondContact O-ND1 3.35Å; Y834-F843 HydrophobicContact CD1-CB 4.18Å; Y834-F843 AromaticContact CD1-CD2 3.88Å; Y834-F843 HydrophobicContact CD1-CD2 3.88Å; Y834-F843 HydrophobicContact CE1-CD2 4.45Å; Y834-F843 HydrophobicContact CG-CD2 4.44Å; Y834-L851 HydrophobicContact CD2-CD2 3.64Å; Y834-L851 HydrophobicContact CE2-CD2 3.95Å |
| 835 | E | 84.5 | Confident | 77.2 | Confident | 28 Ų | 28 | 60.9 Ų | 60.9 | 13% | 0.131 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.4 | -33.3 | 175.1 | -71.3 | -165.8 | -143.9 | 0 | 0 | 112.1 | R831 E832 Q837 G839 Y840 G841 F843 | R831-E835 IonicContact NE-OE1 3.65Å; R831-E835 PolarHBondContact NE-OE1 3.29Å; R831-E835 IonicContact NH2-OE1 3.59Å; R831-E835 PolarHBondContact O-N 2.73Å; E832-E835 PolarHBondContact O-N 3.49Å; E835-Q837 VanDerWaalsContact C-N 3.34Å; E835-G839 CarbonylContact O-C 3.6Å; E835-G839 WeakPolarHBondContact O-CA 3.5Å; E835-G839 PolarHBondContact O-N 3.4Å; E835-Y840 PolarHBondContact O-N 2.74Å; E835-G841 PolarHBondContact OE2-N 3.42Å; E835-F843 HydrophobicContact CG-CB 3.65Å |
| 836 | L | 84.7 | Confident | 75.1 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.016 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.7 | -29.3 | 175.9 | -73.4 | 172.3 | 0 | 0 | 0 | 113.3 | P769 N817 L820 E823 K828 E832 A833 Y834 Y840 | P769-L836 HydrophobicContact CB-CB 4.3Å; N817-L836 WeakPolarHBondContact ND2-CD2 3.26Å; N817-L836 PolarHBondContact ND2-O 3.17Å; N817-L836 VanDerWaalsContact ND2-O 3.13Å; L820-L836 HydrophobicContact CD2-CB 4.18Å; L820-L836 HydrophobicContact CD2-CD1 4.24Å; L820-L836 HydrophobicContact CD2-CD2 4.2Å; L820-L836 HydrophobicContact CD2-CG 4.44Å; E823-L836 HydrophobicContact CB-CD1 4.25Å; E823-L836 HydrophobicContact CB-CD2 4.47Å; E823-L836 HydrophobicContact CG-CD1 4.31Å; E823-L836 HydrophobicContact CG-CD2 3.74Å; K828-L836 HydrophobicContact CD-CD1 3.58Å; K828-L836 HydrophobicContact CG-CD1 3.97Å; E832-L836 WeakPolarHBondContact O-CB 3.17Å; E832-L836 WeakPolarHBondContact O-CG 3.08Å; E832-L836 PolarHBondContact O-N 3.31Å; A833-L836 PolarHBondContact O-N 3.35Å; Y834-L836 VanDerWaalsContact C-N 3.28Å; Y834-L836 PolarHBondContact O-N 3.34Å; L836-Y840 HydrophobicContact CD2-CE1 4.29Å; L836-Y840 HydrophobicContact CD2-CE2 4.5Å |
| 837 | Q | 82.6 | Confident | 72.9 | Confident | 72 Ų | 72 | 54.5 Ų | 54.5 | 34% | 0.336 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -81.1 | -41.8 | 177.5 | -174.6 | 175.3 | 1.3 | 0 | 0 | 112.9 | H766 P769 L813 A833 Y834 E835 | H766-Q837 PolarHBondContact O-OE1 3.11Å; P769-Q837 HydrophobicContact CG-CB 4.25Å; L813-Q837 HydrophobicContact CD1-CG 4.43Å; A833-Q837 PolarHBondContact O-N 2.99Å; Y834-Q837 PolarHBondContact O-N 3.26Å; E835-Q837 VanDerWaalsContact C-N 3.34Å |
| 838 | H | 80.3 | Confident | 70.7 | Confident | 97 Ų | 97 | 51.4 Ų | 51.4 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -105.4 | -4.5 | -172.5 | -59.5 | 98 | 0 | 0 | 0 | 114.1 | Y834 S842 | Y834-H838 AromaticContact CD2-CE1 3.65Å; Y834-H838 AromaticContact CD2-ND1 3.39Å; Y834-H838 WeakPolarHBondContact CD2-ND1 3.46Å; Y834-H838 HydrophobicContact CE1-CB 4.4Å; Y834-H838 AromaticContact CE1-ND1 3.97Å; Y834-H838 AromaticContact CE2-CE1 3.39Å; Y834-H838 WeakPolarHBondContact CE2-CE1 3.44Å; Y834-H838 AromaticContact CE2-ND1 3.28Å; Y834-H838 VanDerWaalsContact CE2-ND1 3.28Å; Y834-H838 WeakPolarHBondContact CE2-ND1 3.37Å; Y834-H838 AromaticContact CG-ND1 3.81Å; Y834-H838 AromaticContact CZ-ND1 3.6Å; Y834-H838 PolarHBondContact O-N 3.4Å; Y834-H838 PolarHBondContact O-ND1 3.35Å; H838-S842 WeakPolarHBondContact CB-OG 3.33Å |
| 839 | G | 75.5 | Confident | 68.6 | Low | 32 Ų | 32 | 54.1 Ų | 54.1 | 33% | 0.33 | 31% | 0.311 | S | S | . | . | trans | 101.8 | 145.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E835 G841 S842 | E835-G839 CarbonylContact O-C 3.6Å; E835-G839 WeakPolarHBondContact O-CA 3.5Å; E835-G839 PolarHBondContact O-N 3.4Å; G839-G841 PolarHBondContact O-N 3.21Å; G839-S842 WeakPolarHBondContact O-CB 3.33Å; G839-S842 PolarHBondContact O-N 3.18Å; G839-S842 PolarHBondContact O-OG 3.11Å | ||
| 840 | Y | 73.8 | Confident | 66.6 | Low | 115 Ų | 115 | 54.5 Ų | 54.5 | 45% | 0.451 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 133.3 | -179.8 | -66 | -86 | 0 | 0 | 0 | 111.9 | N819 E823 E835 L836 S842 | N819-Y840 HydrophobicContact CB-CE2 4.31Å; N819-Y840 WeakPolarHBondContact CB-OH 3.1Å; N819-Y840 WeakPolarHBondContact ND2-CE2 3.24Å; N819-Y840 PolarHBondContact ND2-OH 3.15Å; E823-Y840 PolarHBondContact OE1-OH 3.18Å; E835-Y840 PolarHBondContact O-N 2.74Å; L836-Y840 HydrophobicContact CD2-CE1 4.29Å; L836-Y840 HydrophobicContact CD2-CE2 4.5Å; Y840-S842 VanDerWaalsContact C-N 3.3Å |
| 841 | G | 66.3 | Low | 65 | Low | 58 Ų | 58 | 55.1 Ų | 55.1 | 60% | 0.598 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 10.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | E835 G839 F843 | E835-G841 PolarHBondContact OE2-N 3.42Å; G839-G841 PolarHBondContact O-N 3.21Å; G841-F843 VanDerWaalsContact C-N 3.27Å |
| 842 | S | 67.5 | Low | 63.5 | Low | 30 Ų | 30 | 54.3 Ų | 54.3 | 21% | 0.21 | 32% | 0.316 | C | S | . | . | trans | -72.8 | -18.8 | 168.3 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | H838 G839 Y840 N844 | H838-S842 WeakPolarHBondContact CB-OG 3.33Å; G839-S842 WeakPolarHBondContact O-CB 3.33Å; G839-S842 PolarHBondContact O-N 3.18Å; G839-S842 PolarHBondContact O-OG 3.11Å; Y840-S842 VanDerWaalsContact C-N 3.3Å; S842-N844 PolarHBondContact O-N 3.12Å | ||
| 843 | F | 57.7 | Low | 61.8 | Low | 45 Ų | 45 | 56.7 Ų | 56.7 | 20% | 0.197 | 33% | 0.325 | C | S | . | . | trans | -77.3 | 103.6 | 177.4 | -171.1 | -94.1 | 0 | 0 | 0 | 110.6 | R831 Y834 E835 G841 M845 | R831-F843 HydrophobicContact CB-CD2 4.48Å; R831-F843 HydrophobicContact CB-CE2 4.26Å; R831-F843 HydrophobicContact CB-CZ 4.32Å; R831-F843 HydrophobicContact CG-CB 4.44Å; R831-F843 HydrophobicContact CG-CD1 3.81Å; R831-F843 HydrophobicContact CG-CD2 3.98Å; R831-F843 HydrophobicContact CG-CE1 3.95Å; R831-F843 HydrophobicContact CG-CE2 4.11Å; R831-F843 HydrophobicContact CG-CG 3.82Å; R831-F843 HydrophobicContact CG-CZ 4.1Å; Y834-F843 HydrophobicContact CD1-CB 4.18Å; Y834-F843 AromaticContact CD1-CD2 3.88Å; Y834-F843 HydrophobicContact CD1-CD2 3.88Å; Y834-F843 HydrophobicContact CE1-CD2 4.45Å; Y834-F843 HydrophobicContact CG-CD2 4.44Å; E835-F843 HydrophobicContact CG-CB 3.65Å; G841-F843 VanDerWaalsContact C-N 3.27Å; F843-M845 HydrophobicContact CE1-SD 4Å | ||
| 844 | N | 54.2 | Low | 60.6 | Low | 87 Ų | 87 | 58 Ų | 58 | 47% | 0.465 | 33% | 0.332 | S | S | . | . | trans | -90.1 | 142.8 | 162.4 | -56 | -72.1 | 0 | 0 | 0 | 109 | S842 S846 D847 | S842-N844 PolarHBondContact O-N 3.12Å; N844-S846 PolarHBondContact O-N 3.14Å; N844-D847 HydrophobicContact CB-CB 4.45Å; N844-D847 WeakPolarHBondContact CB-OD2 3.48Å; N844-D847 PolarHBondContact ND2-OD2 3.15Å; N844-D847 PolarHBondContact O-N 3.06Å | ||
| 845 | M | 47 | Very low | 59.4 | Low | 102 Ų | 102 | 63.3 Ų | 63.3 | 50% | 0.502 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -11.9 | 174 | -69.6 | -67.9 | -173 | 0 | 0 | 114.2 | F692 F843 | F692-M845 HydrophobicContact CE1-SD 4.2Å; F692-M845 HydrophobicContact CZ-CB 4.14Å; F843-M845 HydrophobicContact CE1-SD 4Å |
| 846 | S | 44.6 | Very low | 58.5 | Low | 83 Ų | 83 | 67.2 Ų | 67.2 | 58% | 0.58 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -6.6 | 174 | 63.4 | 0 | 0 | 0 | 0 | 114.7 | N844 | N844-S846 PolarHBondContact O-N 3.14Š|
| 847 | D | 42.2 | Very low | 58 | Low | 24 Ų | 24 | 67.4 Ų | 67.4 | 13% | 0.128 | 39% | 0.385 | C | S | . | . | trans | -105.5 | 8.2 | -171.2 | -60.2 | -16.8 | 0 | 0 | 0 | 112 | N844 M850 | N844-D847 HydrophobicContact CB-CB 4.45Å; N844-D847 WeakPolarHBondContact CB-OD2 3.48Å; N844-D847 PolarHBondContact ND2-OD2 3.15Å; N844-D847 PolarHBondContact O-N 3.06Å; D847-M850 HydrophobicContact CB-CB 4.46Å; D847-M850 WeakPolarHBondContact O-CB 3.38Å; D847-M850 PolarHBondContact O-N 2.93Å; D847-M850 VanDerWaalsContact O-N 3.09Å | ||
| 848 | G | 41.6 | Very low | 57.8 | Low | 27 Ų | 27 | 64.8 Ų | 64.8 | 28% | 0.278 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -55.3 | -48.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M850 | G848-M850 PolarHBondContact O-N 3.28Š|
| 849 | A | 43 | Very low | 57.7 | Low | 58 Ų | 58 | 63 Ų | 63 | 48% | 0.479 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -58.8 | -3 | 173 | 0 | 0 | 0 | 0 | 0 | 116.3 | E691 | E691-A849 WeakPolarHBondContact OE1-CA 3.33Å; E691-A849 VanDerWaalsContact OE1-CB 3.3Å; E691-A849 WeakPolarHBondContact OE1-CB 3.47Å; E691-A849 WeakPolarHBondContact OE2-CA 3.4Å; E691-A849 WeakPolarHBondContact OE2-CB 3.45Å; E691-A849 PolarHBondContact OE2-N 3.04Å |
| 850 | M | 41.9 | Very low | 58 | Low | 39 Ų | 39 | 65 Ų | 65 | 19% | 0.192 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -95.9 | -2.6 | -168.2 | -163.2 | 142.1 | -154 | 0 | 0 | 114.9 | D847 G848 S852 T854 R902 | D847-M850 HydrophobicContact CB-CB 4.46Å; D847-M850 WeakPolarHBondContact O-CB 3.38Å; D847-M850 PolarHBondContact O-N 2.93Å; D847-M850 VanDerWaalsContact O-N 3.09Å; G848-M850 PolarHBondContact O-N 3.28Å; M850-S852 PolarHBondContact O-N 3.37Å; M850-T854 HydrophobicContact CE-CG2 4.21Å; M850-T854 WeakPolarHBondContact CE-OG1 3.39Å; M850-T854 WeakPolarHBondContact CG-OG1 3.47Å; M850-T854 PolarHBondContact O-OG1 2.89Å; M850-R902 PolarHBondContact SD-NH2 3.02Å |
| 851 | L | 49.6 | Very low | 58.5 | Low | 45 Ų | 45 | 59.5 Ų | 59.5 | 24% | 0.236 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -71.8 | -17.1 | -167.3 | -75.4 | 163.1 | 0 | 0 | 0 | 116.3 | Y834 | Y834-L851 HydrophobicContact CD2-CD2 3.64Å; Y834-L851 HydrophobicContact CE2-CD2 3.95Å |
| 852 | S | 45.3 | Very low | 59.3 | Low | 69 Ų | 69 | 62.2 Ų | 62.2 | 48% | 0.483 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -121.3 | -20.5 | -175.7 | 58.7 | 0 | 0 | 0 | 0 | 116.5 | M850 | M850-S852 PolarHBondContact O-N 3.37Š|
| 853 | K | 49.7 | Very low | 60.1 | Low | 146 Ų | 146 | 66.7 Ų | 66.7 | 64% | 0.635 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -100.8 | 11.7 | -174.1 | -71.8 | 178.8 | 179.7 | 169 | 0 | 115.2 | ||
| 854 | T | 58.2 | Low | 61.5 | Low | 27 Ų | 27 | 64.8 Ų | 64.8 | 17% | 0.166 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -90.3 | -41.4 | -165.2 | -63.1 | 0 | 0 | 0 | 0 | 114.7 | M850 D858 | M850-T854 HydrophobicContact CE-CG2 4.21Å; M850-T854 WeakPolarHBondContact CE-OG1 3.39Å; M850-T854 WeakPolarHBondContact CG-OG1 3.47Å; M850-T854 PolarHBondContact O-OG1 2.89Å; T854-D858 WeakPolarHBondContact CG2-OD2 3.36Å; T854-D858 WeakPolarHBondContact O-CB 3.46Å; T854-D858 PolarHBondContact O-N 3.43Å |
| 855 | E | 57.1 | Low | 63 | Low | 142 Ų | 142 | 63.6 Ų | 63.6 | 66% | 0.664 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -72 | -41.7 | -172.1 | -65.4 | -162 | 151.7 | 0 | 0 | 114.2 | F857 D858 A859 | E855-F857 VanDerWaalsContact C-N 3.31Å; E855-F857 PolarHBondContact O-N 3.04Å; E855-D858 PolarHBondContact O-N 3.2Å; E855-A859 VanDerWaalsContact O-CB 3.28Å; E855-A859 WeakPolarHBondContact O-CB 3.48Å; E855-A859 PolarHBondContact O-N 3Å |
| 856 | T | 66.3 | Low | 64.7 | Low | 111 Ų | 111 | 62.1 Ų | 62.1 | 68% | 0.681 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.4 | -38.8 | 177.1 | 51.5 | 0 | 0 | 0 | 0 | 111.5 | H860 | T856-H860 WeakPolarHBondContact O-CB 3.4Å; T856-H860 PolarHBondContact O-N 3.31Å |
| 857 | F | 74.7 | Confident | 66.7 | Low | 6 Ų | 6 | 61.2 Ų | 61.2 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.1 | -49 | 174.3 | -177.4 | -121.3 | 0 | 0 | 0 | 111.8 | E855 A859 H860 L861 L887 Y891 A899 | E855-F857 VanDerWaalsContact C-N 3.31Å; E855-F857 PolarHBondContact O-N 3.04Å; F857-A859 VanDerWaalsContact C-N 3.29Å; F857-A859 PolarHBondContact O-N 3.34Å; F857-H860 PolarHBondContact O-N 2.97Å; F857-L861 HydrophobicContact CE2-CD1 4.34Å; F857-L861 HydrophobicContact CZ-CD1 4.09Å; F857-L861 WeakPolarHBondContact O-CB 3.47Å; F857-L861 PolarHBondContact O-N 3.13Å; F857-L887 HydrophobicContact CE2-CD1 3.83Å; F857-L887 HydrophobicContact CE2-CD2 4.28Å; F857-L887 HydrophobicContact CZ-CD1 4.29Å; F857-Y891 HydrophobicContact CD1-CD1 4.41Å; F857-Y891 HydrophobicContact CD1-CE1 4.17Å; F857-Y891 HydrophobicContact CD2-CD1 4Å; F857-Y891 HydrophobicContact CD2-CD2 4.05Å; F857-Y891 AromaticContact CD2-CE1 3.56Å; F857-Y891 HydrophobicContact CD2-CE1 3.56Å; F857-Y891 AromaticContact CD2-CE2 3.63Å; F857-Y891 HydrophobicContact CD2-CE2 3.63Å; F857-Y891 HydrophobicContact CD2-CG 4.24Å; F857-Y891 AromaticContact CD2-CZ 3.37Å; F857-Y891 AromaticContact CE1-CD1 3.94Å; F857-Y891 HydrophobicContact CE1-CD1 3.94Å; F857-Y891 HydrophobicContact CE1-CE1 4.16Å; F857-Y891 HydrophobicContact CE1-CG 4.46Å; F857-Y891 AromaticContact CE2-CD1 3.52Å; F857-Y891 HydrophobicContact CE2-CD1 3.52Å; F857-Y891 AromaticContact CE2-CD2 3.41Å; F857-Y891 HydrophobicContact CE2-CD2 3.41Å; F857-Y891 VanDerWaalsContact CE2-CD2 3.41Å; F857-Y891 AromaticContact CE2-CE1 3.6Å; F857-Y891 HydrophobicContact CE2-CE1 3.6Å; F857-Y891 AromaticContact CE2-CE2 3.51Å; F857-Y891 HydrophobicContact CE2-CE2 3.51Å; F857-Y891 AromaticContact CE2-CG 3.44Å; F857-Y891 HydrophobicContact CE2-CG 3.44Å; F857-Y891 VanDerWaalsContact CE2-CG 3.44Å; F857-Y891 AromaticContact CE2-CZ 3.6Å; F857-Y891 HydrophobicContact CG-CD1 4.43Å; F857-Y891 AromaticContact CG-CE1 3.87Å; F857-Y891 HydrophobicContact CG-CE1 3.87Å; F857-Y891 AromaticContact CZ-CD1 3.48Å; F857-Y891 HydrophobicContact CZ-CD1 3.48Å; F857-Y891 VanDerWaalsContact CZ-CD1 3.48Å; F857-Y891 HydrophobicContact CZ-CD2 4.04Å; F857-Y891 AromaticContact CZ-CE1 3.91Å; F857-Y891 HydrophobicContact CZ-CE1 3.91Å; F857-Y891 HydrophobicContact CZ-CE2 4.43Å; F857-Y891 AromaticContact CZ-CG 3.57Å; F857-Y891 HydrophobicContact CZ-CG 3.57Å; F857-A899 HydrophobicContact CD1-CB 3.98Å; F857-A899 HydrophobicContact CE1-CB 3.44Å; F857-A899 VanDerWaalsContact CE1-CB 3.44Å; F857-A899 HydrophobicContact CZ-CB 4.38Å |
| 858 | D | 76.8 | Confident | 68.7 | Low | 18 Ų | 18 | 60.5 Ų | 60.5 | 10% | 0.096 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.2 | -31.6 | 179.6 | -76.4 | -0.7 | 0 | 0 | 0 | 112 | T854 E855 K862 R902 C903 | T854-D858 WeakPolarHBondContact CG2-OD2 3.36Å; T854-D858 WeakPolarHBondContact O-CB 3.46Å; T854-D858 PolarHBondContact O-N 3.43Å; E855-D858 PolarHBondContact O-N 3.2Å; D858-K862 WeakPolarHBondContact O-CG 3.39Å; D858-K862 PolarHBondContact O-N 2.85Å; D858-R902 IonicContact OD1-NH1 2.65Å; D858-R902 PolarHBondContact OD1-NH1 2.83Å; D858-R902 VanDerWaalsContact OD1-NH1 3.13Å; D858-R902 WeakPolarHBondContact OD2-CD 3.43Å; D858-R902 IonicContact OD2-NH1 2.75Å; D858-R902 PolarHBondContact OD2-NH1 3.24Å; D858-C903 VanDerWaalsContact CB-SG 3.54Å; D858-C903 VanDerWaalsContact CG-SG 3.56Å |
| 859 | A | 78.2 | Confident | 70.6 | Confident | 58 Ų | 58 | 62.7 Ų | 62.7 | 48% | 0.479 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69.2 | -47 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E855 F857 L861 K862 Q863 | E855-A859 VanDerWaalsContact O-CB 3.28Å; E855-A859 WeakPolarHBondContact O-CB 3.48Å; E855-A859 PolarHBondContact O-N 3Å; F857-A859 VanDerWaalsContact C-N 3.29Å; F857-A859 PolarHBondContact O-N 3.34Å; A859-L861 VanDerWaalsContact C-N 3.28Å; A859-L861 PolarHBondContact O-N 3.49Å; A859-K862 PolarHBondContact O-N 3.19Å; A859-Q863 PolarHBondContact O-N 3.26Å |
| 860 | H | 82.3 | Confident | 72.2 | Confident | 74 Ų | 74 | 63.9 Ų | 63.9 | 34% | 0.343 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 175.1 | -173.1 | -166 | 0 | 0 | 0 | 111.2 | T856 F857 K862 Q863 L864 | T856-H860 WeakPolarHBondContact O-CB 3.4Å; T856-H860 PolarHBondContact O-N 3.31Å; F857-H860 PolarHBondContact O-N 2.97Å; H860-K862 PolarHBondContact O-N 3.17Å; H860-Q863 WeakPolarHBondContact O-CB 3.35Å; H860-Q863 PolarHBondContact O-N 2.67Å; H860-L864 WeakPolarHBondContact O-CG 3.43Å; H860-L864 PolarHBondContact O-N 2.72Å |
| 861 | L | 83.9 | Confident | 73.9 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 175.8 | -151.7 | 79.4 | 0 | 0 | 0 | 112.5 | F857 A859 Y865 I883 L887 I896 A899 M900 I905 | F857-L861 HydrophobicContact CE2-CD1 4.34Å; F857-L861 HydrophobicContact CZ-CD1 4.09Å; F857-L861 WeakPolarHBondContact O-CB 3.47Å; F857-L861 PolarHBondContact O-N 3.13Å; A859-L861 VanDerWaalsContact C-N 3.28Å; A859-L861 PolarHBondContact O-N 3.49Å; L861-Y865 WeakPolarHBondContact O-CB 3.49Å; L861-Y865 PolarHBondContact O-N 3.18Å; L861-I883 HydrophobicContact CD1-CG2 3.89Å; L861-L887 HydrophobicContact CD1-CD1 4.48Å; L861-I896 HydrophobicContact CD1-CG2 4.47Å; L861-A899 VanDerWaalsContact CD2-C 3.47Å; L861-A899 HydrophobicContact CD2-CB 3.66Å; L861-M900 HydrophobicContact CD2-CB 4.35Å; L861-M900 HydrophobicContact CD2-CG 3.78Å; L861-M900 HydrophobicContact CG-CG 4.38Å; L861-I905 HydrophobicContact CD2-CD1 4.06Å; L861-I905 HydrophobicContact CG-CD1 4.21Å |
| 862 | K | 82.9 | Confident | 74.4 | Confident | 115 Ų | 115 | 68.9 Ų | 68.9 | 50% | 0.5 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68 | -36.5 | 174.3 | -73.3 | 167.7 | -176.2 | 169.2 | 0 | 112.2 | D858 A859 H860 Y865 S866 C903 | D858-K862 WeakPolarHBondContact O-CG 3.39Å; D858-K862 PolarHBondContact O-N 2.85Å; A859-K862 PolarHBondContact O-N 3.19Å; H860-K862 PolarHBondContact O-N 3.17Å; K862-Y865 PolarHBondContact O-N 2.95Å; K862-S866 PolarHBondContact O-N 2.71Å; K862-C903 HydrophobicContact CG-CB 4.39Å |
| 863 | Q | 85.7 | Confident | 75.2 | Confident | 124 Ų | 124 | 70.6 Ų | 70.6 | 58% | 0.579 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.9 | -45.9 | 173.3 | -178.5 | -178.3 | -6.7 | 0 | 0 | 111.7 | A859 H860 Y865 S866 E867 | A859-Q863 PolarHBondContact O-N 3.26Å; H860-Q863 WeakPolarHBondContact O-CB 3.35Å; H860-Q863 PolarHBondContact O-N 2.67Å; Q863-Y865 VanDerWaalsContact C-N 3.29Å; Q863-Y865 PolarHBondContact O-N 3.32Å; Q863-S866 PolarHBondContact O-N 3.5Å; Q863-S866 PolarHBondContact O-OG 3.06Å; Q863-E867 PolarHBondContact O-N 2.79Å |
| 864 | L | 86.7 | Confident | 76.2 | Confident | 5 Ų | 5 | 68.6 Ų | 68.6 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.6 | -37.5 | 175.6 | -68.1 | 173.9 | 0 | 0 | 0 | 111.7 | H860 E867 F868 F882 I883 R886 L887 | H860-L864 WeakPolarHBondContact O-CG 3.43Å; H860-L864 PolarHBondContact O-N 2.72Å; L864-E867 PolarHBondContact O-N 3.14Å; L864-F868 WeakPolarHBondContact O-CB 3.48Å; L864-F868 PolarHBondContact O-N 3.08Å; L864-F882 WeakPolarHBondContact O-CE1 3.46Å; L864-I883 HydrophobicContact CB-CG1 4.31Å; L864-I883 HydrophobicContact CD1-CG2 4.3Å; L864-R886 HydrophobicContact CD1-CB 4.16Å; L864-R886 HydrophobicContact CD2-CB 3.6Å; L864-R886 HydrophobicContact CD2-CG 3.84Å; L864-L887 HydrophobicContact CD1-CD2 4.02Å; L864-L887 HydrophobicContact CD1-CG 4.01Å |
| 865 | Y | 85.1 | Confident | 76.8 | Confident | 62 Ų | 62 | 71 Ų | 71 | 24% | 0.243 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 173.3 | 179.8 | -110.3 | 0 | 0 | 0 | 112.7 | L861 K862 Q863 F868 C869 L879 I905 P906 | L861-Y865 WeakPolarHBondContact O-CB 3.49Å; L861-Y865 PolarHBondContact O-N 3.18Å; K862-Y865 PolarHBondContact O-N 2.95Å; Q863-Y865 VanDerWaalsContact C-N 3.29Å; Q863-Y865 PolarHBondContact O-N 3.32Å; Y865-F868 PolarHBondContact O-N 2.66Å; Y865-C869 VanDerWaalsContact CZ-SG 3.56Å; Y865-C869 PolarHBondContact O-N 2.88Å; Y865-C869 PolarHBondContact O-SG 3.42Å; Y865-L879 HydrophobicContact CD2-CD1 3.99Å; Y865-L879 HydrophobicContact CD2-CD2 3.81Å; Y865-L879 HydrophobicContact CE2-CD2 3.89Å; Y865-I905 HydrophobicContact CD1-CG1 4.43Å; Y865-I905 HydrophobicContact CD1-CG2 4.28Å; Y865-I905 HydrophobicContact CD2-CG2 3.42Å; Y865-I905 VanDerWaalsContact CD2-CG2 3.42Å; Y865-I905 HydrophobicContact CE1-CG2 4.45Å; Y865-I905 HydrophobicContact CE2-CG2 3.62Å; Y865-I905 HydrophobicContact CG-CD1 4.35Å; Y865-I905 HydrophobicContact CG-CG1 4.35Å; Y865-I905 HydrophobicContact CG-CG2 3.77Å; Y865-P906 WeakPolarHBondContact OH-CD 3.46Å |
| 866 | S | 82.9 | Confident | 77.2 | Confident | 71 Ų | 71 | 68.1 Ų | 68.1 | 50% | 0.497 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68 | -36.4 | 176.2 | 71.6 | 0 | 0 | 0 | 0 | 112.4 | K862 Q863 C869 S870 | K862-S866 PolarHBondContact O-N 2.71Å; Q863-S866 PolarHBondContact O-N 3.5Å; Q863-S866 PolarHBondContact O-OG 3.06Å; S866-C869 PolarHBondContact O-N 3.29Å; S866-S870 PolarHBondContact O-N 3.24Å; S866-S870 VanDerWaalsContact O-N 3.11Å |
| 867 | E | 86.3 | Confident | 77.1 | Confident | 63 Ų | 63 | 69.4 Ų | 69.4 | 29% | 0.294 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 171.2 | -164.8 | -166.8 | 143.7 | 0 | 0 | 110.9 | Q863 L864 C869 S870 F882 R886 | Q863-E867 PolarHBondContact O-N 2.79Å; L864-E867 PolarHBondContact O-N 3.14Å; E867-C869 VanDerWaalsContact C-N 3.35Å; E867-C869 PolarHBondContact O-N 2.95Å; E867-S870 WeakPolarHBondContact O-CB 3.41Å; E867-S870 PolarHBondContact O-N 3.37Å; E867-S870 VanDerWaalsContact O-N 3.14Å; E867-S870 PolarHBondContact O-OG 3.03Å; E867-F882 HydrophobicContact CB-CE1 4.49Å; E867-F882 HydrophobicContact CB-CZ 4.38Å; E867-F882 HydrophobicContact CG-CZ 4.19Å; E867-F882 WeakPolarHBondContact OE1-CZ 3.24Å; E867-R886 IonicContact OE1-CZ 2.73Å; E867-R886 IonicContact OE1-NE 3Å; E867-R886 IonicContact OE1-NH2 2.68Å; E867-R886 PolarHBondContact OE1-NH2 3.04Å; E867-R886 IonicContact OE2-CZ 3.48Å; E867-R886 IonicContact OE2-NE 3.54Å; E867-R886 IonicContact OE2-NH2 3.6Å |
| 868 | F | 85 | Confident | 77.1 | Confident | 10 Ų | 10 | 71.4 Ų | 71.4 | 4% | 0.044 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 176.9 | -173.7 | -92.4 | 0 | 0 | 0 | 112.5 | L864 Y865 S870 R874 S878 L879 F882 | L864-F868 WeakPolarHBondContact O-CB 3.48Å; L864-F868 PolarHBondContact O-N 3.08Å; Y865-F868 PolarHBondContact O-N 2.66Å; F868-S870 VanDerWaalsContact C-N 3.27Å; F868-S870 PolarHBondContact O-N 3.3Å; F868-R874 HydrophobicContact CE1-CB 4.32Å; F868-R874 HydrophobicContact CE2-CB 4.04Å; F868-R874 HydrophobicContact CZ-CB 3.77Å; F868-S878 WeakPolarHBondContact CE2-OG 3.45Å; F868-S878 WeakPolarHBondContact CZ-OG 3.37Å; F868-L879 HydrophobicContact CB-CD1 3.88Å; F868-L879 HydrophobicContact CD1-CB 4.47Å; F868-L879 HydrophobicContact CD1-CD1 3.73Å; F868-L879 HydrophobicContact CD2-CD1 3.96Å; F868-L879 HydrophobicContact CE1-CB 4.11Å; F868-L879 HydrophobicContact CE1-CD1 4.24Å; F868-L879 HydrophobicContact CE2-CB 4.3Å; F868-L879 HydrophobicContact CE2-CD1 4.44Å; F868-L879 HydrophobicContact CG-CD1 3.58Å; F868-L879 HydrophobicContact CZ-CB 4.01Å; F868-F882 HydrophobicContact CB-CD1 3.91Å; F868-F882 HydrophobicContact CB-CE1 3.92Å; F868-F882 HydrophobicContact CD2-CB 3.83Å; F868-F882 AromaticContact CD2-CD1 3.65Å; F868-F882 HydrophobicContact CD2-CD1 3.65Å; F868-F882 HydrophobicContact CD2-CD2 4.42Å; F868-F882 HydrophobicContact CD2-CE1 4.33Å; F868-F882 AromaticContact CD2-CG 3.69Å; F868-F882 HydrophobicContact CD2-CG 3.69Å; F868-F882 HydrophobicContact CE2-CB 4.08Å; F868-F882 HydrophobicContact CE2-CG 4.38Å; F868-F882 HydrophobicContact CG-CD1 4.24Å |
| 869 | C | 80.8 | Confident | 77.2 | Confident | 72 Ų | 72 | 70.7 Ų | 70.7 | 49% | 0.486 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -69.2 | -19.9 | 177.4 | -68.7 | 0 | 0 | 0 | 0 | 114 | Y865 S866 E867 V871 | Y865-C869 VanDerWaalsContact CZ-SG 3.56Å; Y865-C869 PolarHBondContact O-N 2.88Å; Y865-C869 PolarHBondContact O-SG 3.42Å; S866-C869 PolarHBondContact O-N 3.29Å; E867-C869 VanDerWaalsContact C-N 3.35Å; E867-C869 PolarHBondContact O-N 2.95Å; C869-V871 VanDerWaalsContact C-N 3.27Å; C869-V871 PolarHBondContact O-N 3.14Å |
| 870 | S | 77 | Confident | 77.3 | Confident | 84 Ų | 84 | 68.4 Ų | 68.4 | 59% | 0.587 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -16.1 | -176.7 | 75.2 | 0 | 0 | 0 | 0 | 114.5 | S866 E867 F868 P872 | S866-S870 PolarHBondContact O-N 3.24Å; S866-S870 VanDerWaalsContact O-N 3.11Å; E867-S870 WeakPolarHBondContact O-CB 3.41Å; E867-S870 PolarHBondContact O-N 3.37Å; E867-S870 VanDerWaalsContact O-N 3.14Å; E867-S870 PolarHBondContact O-OG 3.03Å; F868-S870 VanDerWaalsContact C-N 3.27Å; F868-S870 PolarHBondContact O-N 3.3Å; S870-P872 WeakPolarHBondContact O-CD 3.41Å |
| 871 | V | 76.7 | Confident | 77.2 | Confident | 58 Ų | 58 | 66.4 Ų | 66.4 | 35% | 0.352 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -105.5 | 103.5 | -177.9 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | C869 S873 R874 | C869-V871 VanDerWaalsContact C-N 3.27Å; C869-V871 PolarHBondContact O-N 3.14Å; V871-S873 VanDerWaalsContact C-N 3.28Å; V871-S873 PolarHBondContact O-N 2.98Å; V871-R874 HydrophobicContact CG1-CG 4.44Å |
| 872 | P | 61.3 | Low | 77.2 | Confident | 130 Ų | 130 | 67.3 Ų | 67.3 | 84% | 0.844 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 66.7 | -172.6 | 33.1 | -37.5 | 0 | 0 | 0 | 113.3 | S870 | S870-P872 WeakPolarHBondContact O-CD 3.41Š|
| 873 | S | 62.6 | Low | 77.2 | Confident | 106 Ų | 106 | 61.8 Ų | 61.8 | 74% | 0.741 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -163.1 | 0.5 | 165.1 | 74.9 | 0 | 0 | 0 | 0 | 115.5 | V871 | V871-S873 VanDerWaalsContact C-N 3.28Å; V871-S873 PolarHBondContact O-N 2.98Å |
| 874 | R | 69 | Low | 77.1 | Confident | 104 Ų | 104 | 58.4 Ų | 58.4 | 39% | 0.392 | 34% | 0.34 | S | S | . | . | trans | -89.1 | 129.6 | -171.5 | -65.7 | -178 | 176.4 | 179.8 | -1.5 | 112.2 | F868 V871 | F868-R874 HydrophobicContact CE1-CB 4.32Å; F868-R874 HydrophobicContact CE2-CB 4.04Å; F868-R874 HydrophobicContact CZ-CB 3.77Å; V871-R874 HydrophobicContact CG1-CG 4.44Å | ||
| 875 | P | 71.2 | Confident | 76.9 | Confident | 77 Ų | 77 | 65.4 Ų | 65.4 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | trans | -71.5 | 136.4 | 175 | 29 | -33.2 | 0 | 0 | 0 | 110.6 | E877 S878 | P875-E877 PolarHBondContact O-N 2.8Å; P875-S878 PolarHBondContact O-N 3.12Å; P875-S878 PolarHBondContact O-OG 3.03Å | ||
| 876 | L | 66.3 | Low | 76.8 | Confident | 82 Ų | 82 | 68.8 Ų | 68.8 | 43% | 0.429 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -55.5 | -24.7 | -179.8 | -86.8 | 88.1 | 0 | 0 | 0 | 113.4 | S878 L879 V908 | L876-S878 PolarHBondContact O-N 2.94Å; L876-L879 WeakPolarHBondContact O-CB 3.46Å; L876-L879 PolarHBondContact O-N 3.43Å; L876-V908 HydrophobicContact CD2-CG2 4.31Å |
| 877 | E | 64.1 | Low | 76.7 | Confident | 138 Ų | 138 | 65.6 Ų | 65.6 | 65% | 0.645 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -59.4 | -24.6 | 176.2 | -66.4 | 158.3 | 171.7 | 0 | 0 | 112.7 | P875 | P875-E877 PolarHBondContact O-N 2.8Š|
| 878 | S | 73.5 | Confident | 76.1 | Confident | 47 Ų | 47 | 70.5 Ų | 70.5 | 33% | 0.329 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -87.2 | -5.5 | 176.3 | 67.1 | 0 | 0 | 0 | 0 | 114.9 | F868 P875 L876 I880 G881 F882 | F868-S878 WeakPolarHBondContact CE2-OG 3.45Å; F868-S878 WeakPolarHBondContact CZ-OG 3.37Å; P875-S878 PolarHBondContact O-N 3.12Å; P875-S878 PolarHBondContact O-OG 3.03Å; L876-S878 PolarHBondContact O-N 2.94Å; S878-I880 VanDerWaalsContact C-N 3.35Å; S878-I880 PolarHBondContact O-N 3.39Å; S878-G881 PolarHBondContact O-N 3.24Å; S878-F882 PolarHBondContact O-N 2.75Å |
| 879 | L | 79.4 | Confident | 75.5 | Confident | 3 Ų | 3 | 73.1 Ų | 73.1 | 2% | 0.016 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60 | -40.4 | -173.9 | 175.7 | 58.6 | 0 | 0 | 0 | 113.2 | Y865 F868 L876 F882 I883 M900 I905 | Y865-L879 HydrophobicContact CD2-CD1 3.99Å; Y865-L879 HydrophobicContact CD2-CD2 3.81Å; Y865-L879 HydrophobicContact CE2-CD2 3.89Å; F868-L879 HydrophobicContact CB-CD1 3.88Å; F868-L879 HydrophobicContact CD1-CB 4.47Å; F868-L879 HydrophobicContact CD1-CD1 3.73Å; F868-L879 HydrophobicContact CD2-CD1 3.96Å; F868-L879 HydrophobicContact CE1-CB 4.11Å; F868-L879 HydrophobicContact CE1-CD1 4.24Å; F868-L879 HydrophobicContact CE2-CB 4.3Å; F868-L879 HydrophobicContact CE2-CD1 4.44Å; F868-L879 HydrophobicContact CG-CD1 3.58Å; F868-L879 HydrophobicContact CZ-CB 4.01Å; L876-L879 WeakPolarHBondContact O-CB 3.46Å; L876-L879 PolarHBondContact O-N 3.43Å; L879-F882 PolarHBondContact O-N 3.42Å; L879-I883 HydrophobicContact CD1-CD1 3.79Å; L879-I883 HydrophobicContact CD1-CG1 4.23Å; L879-I883 HydrophobicContact CG-CD1 4.05Å; L879-I883 WeakPolarHBondContact O-CG1 3.41Å; L879-I883 PolarHBondContact O-N 3.11Å; L879-I883 VanDerWaalsContact O-N 3.09Å; L879-M900 HydrophobicContact CD2-CE 3.41Å; L879-M900 VanDerWaalsContact CD2-CE 3.41Å; L879-M900 HydrophobicContact CG-CE 3.74Å; L879-I905 HydrophobicContact CD2-CG2 4.18Å |
| 880 | I | 80 | Confident | 74.9 | Confident | 10 Ų | 10 | 76.2 Ų | 76.2 | 5% | 0.051 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.2 | -43 | 179.4 | -57.2 | 173.4 | 0 | 0 | 0 | 110.4 | S878 I883 E884 R893 I897 M900 L907 L909 | S878-I880 VanDerWaalsContact C-N 3.35Å; S878-I880 PolarHBondContact O-N 3.39Å; I880-I883 PolarHBondContact O-N 3.26Å; I880-E884 HydrophobicContact CG2-CG 4.35Å; I880-E884 WeakPolarHBondContact O-CG 3.28Å; I880-E884 PolarHBondContact O-N 3.32Å; I880-R893 HydrophobicContact CG2-CG 4.04Å; I880-I897 HydrophobicContact CD1-CD1 4.05Å; I880-I897 HydrophobicContact CD1-CG1 4.04Å; I880-M900 HydrophobicContact CG1-SD 4.45Å; I880-L907 HydrophobicContact CD1-CD1 4.12Å; I880-L907 HydrophobicContact CG1-CD1 4.2Å; I880-L909 HydrophobicContact CD1-CD2 3.75Å |
| 881 | G | 80.7 | Confident | 74.9 | Confident | 32 Ų | 32 | 74.7 Ų | 74.7 | 33% | 0.33 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S878 I883 E884 E885 | S878-G881 PolarHBondContact O-N 3.24Å; G881-I883 VanDerWaalsContact C-N 3.33Å; G881-I883 PolarHBondContact O-N 3.48Å; G881-E884 PolarHBondContact O-N 3.43Å; G881-E885 WeakPolarHBondContact O-CB 3.32Å; G881-E885 PolarHBondContact O-N 3.07Å |
| 882 | F | 84.6 | Confident | 74.8 | Confident | 20 Ų | 20 | 75.5 Ų | 75.5 | 9% | 0.088 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 174.4 | 176.9 | -100.9 | 0 | 0 | 0 | 112.8 | L864 E867 F868 S878 L879 R886 | L864-F882 WeakPolarHBondContact O-CE1 3.46Å; E867-F882 HydrophobicContact CB-CE1 4.49Å; E867-F882 HydrophobicContact CB-CZ 4.38Å; E867-F882 HydrophobicContact CG-CZ 4.19Å; E867-F882 WeakPolarHBondContact OE1-CZ 3.24Å; F868-F882 HydrophobicContact CB-CD1 3.91Å; F868-F882 HydrophobicContact CB-CE1 3.92Å; F868-F882 HydrophobicContact CD2-CB 3.83Å; F868-F882 AromaticContact CD2-CD1 3.65Å; F868-F882 HydrophobicContact CD2-CD1 3.65Å; F868-F882 HydrophobicContact CD2-CD2 4.42Å; F868-F882 HydrophobicContact CD2-CE1 4.33Å; F868-F882 AromaticContact CD2-CG 3.69Å; F868-F882 HydrophobicContact CD2-CG 3.69Å; F868-F882 HydrophobicContact CE2-CB 4.08Å; F868-F882 HydrophobicContact CE2-CG 4.38Å; F868-F882 HydrophobicContact CG-CD1 4.24Å; S878-F882 PolarHBondContact O-N 2.75Å; L879-F882 PolarHBondContact O-N 3.42Å; F882-R886 HydrophobicContact CE1-CG 4.41Å; F882-R886 HydrophobicContact CE2-CG 4.23Å; F882-R886 HydrophobicContact CZ-CG 4.12Å; F882-R886 WeakPolarHBondContact O-CB 3.37Å; F882-R886 WeakPolarHBondContact O-CG 3.43Å; F882-R886 PolarHBondContact O-N 3Å; F882-R886 VanDerWaalsContact O-N 3.17Å |
| 883 | I | 83.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -71.3 | -40.3 | 176.3 | -67.4 | 168.1 | 0 | 0 | 0 | 111 | L861 L864 L879 I880 G881 R886 L887 I896 M900 | L861-I883 HydrophobicContact CD1-CG2 3.89Å; L864-I883 HydrophobicContact CB-CG1 4.31Å; L864-I883 HydrophobicContact CD1-CG2 4.3Å; L879-I883 HydrophobicContact CD1-CD1 3.79Å; L879-I883 HydrophobicContact CD1-CG1 4.23Å; L879-I883 HydrophobicContact CG-CD1 4.05Å; L879-I883 WeakPolarHBondContact O-CG1 3.41Å; L879-I883 PolarHBondContact O-N 3.11Å; L879-I883 VanDerWaalsContact O-N 3.09Å; I880-I883 PolarHBondContact O-N 3.26Å; G881-I883 VanDerWaalsContact C-N 3.33Å; G881-I883 PolarHBondContact O-N 3.48Å; I883-R886 PolarHBondContact O-N 3.31Å; I883-L887 HydrophobicContact CG2-CD1 3.52Å; I883-L887 HydrophobicContact CG2-CG 4.17Å; I883-L887 VanDerWaalsContact O-CB 3.3Å; I883-L887 WeakPolarHBondContact O-CB 3.44Å; I883-L887 VanDerWaalsContact O-CG 3.26Å; I883-L887 WeakPolarHBondContact O-CG 3.38Å; I883-L887 PolarHBondContact O-N 3.46Å; I883-I896 HydrophobicContact CB-CG2 4.38Å; I883-I896 HydrophobicContact CG2-CD1 4.25Å; I883-I896 HydrophobicContact CG2-CG1 4.41Å; I883-I896 HydrophobicContact CG2-CG2 3.67Å; I883-M900 HydrophobicContact CD1-CE 3.97Å; I883-M900 HydrophobicContact CD1-CG 4.42Å; I883-M900 HydrophobicContact CD1-SD 3.91Å |
| 884 | E | 82.4 | Confident | 75.8 | Confident | 53 Ų | 53 | 77.9 Ų | 77.9 | 25% | 0.248 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 175.7 | -74.9 | 167.4 | 155.8 | 0 | 0 | 112.3 | I880 G881 L887 Q888 R893 I896 | I880-E884 HydrophobicContact CG2-CG 4.35Å; I880-E884 WeakPolarHBondContact O-CG 3.28Å; I880-E884 PolarHBondContact O-N 3.32Å; G881-E884 PolarHBondContact O-N 3.43Å; E884-L887 PolarHBondContact O-N 3.41Å; E884-Q888 PolarHBondContact O-N 3.25Å; E884-R893 WeakPolarHBondContact OE1-CB 3.42Å; E884-R893 WeakPolarHBondContact OE1-CD 3.15Å; E884-R893 WeakPolarHBondContact OE1-CG 3.47Å; E884-R893 IonicContact OE1-CZ 3.63Å; E884-R893 IonicContact OE1-NE 3.85Å; E884-R893 IonicContact OE1-NH1 2.69Å; E884-R893 PolarHBondContact OE1-NH1 3.26Å; E884-R893 IonicContact OE2-CZ 2.69Å; E884-R893 IonicContact OE2-NH1 3.79Å; E884-R893 PolarHBondContact OE2-NH1 3.14Å; E884-I896 HydrophobicContact CG-CD1 3.67Å |
| 885 | E | 83.7 | Confident | 75.9 | Confident | 151 Ų | 151 | 77.5 Ų | 77.5 | 71% | 0.706 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61 | -46.1 | 176.8 | -174.9 | -177.2 | -178.6 | 0 | 0 | 111.5 | G881 Q888 | G881-E885 WeakPolarHBondContact O-CB 3.32Å; G881-E885 PolarHBondContact O-N 3.07Å; E885-Q888 PolarHBondContact O-N 3.34Å |
| 886 | R | 81.7 | Confident | 76.3 | Confident | 133 Ų | 133 | 73.8 Ų | 73.8 | 50% | 0.502 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.1 | -26.4 | 179.6 | -74.7 | -67.9 | -155.9 | 175 | 2.1 | 114.2 | L864 E867 F882 I883 | L864-R886 HydrophobicContact CD1-CB 4.16Å; L864-R886 HydrophobicContact CD2-CB 3.6Å; L864-R886 HydrophobicContact CD2-CG 3.84Å; E867-R886 IonicContact OE1-CZ 2.73Å; E867-R886 IonicContact OE1-NE 3Å; E867-R886 IonicContact OE1-NH2 2.68Å; E867-R886 PolarHBondContact OE1-NH2 3.04Å; E867-R886 IonicContact OE2-CZ 3.48Å; E867-R886 IonicContact OE2-NE 3.54Å; E867-R886 IonicContact OE2-NH2 3.6Å; F882-R886 HydrophobicContact CE1-CG 4.41Å; F882-R886 HydrophobicContact CE2-CG 4.23Å; F882-R886 HydrophobicContact CZ-CG 4.12Å; F882-R886 WeakPolarHBondContact O-CB 3.37Å; F882-R886 WeakPolarHBondContact O-CG 3.43Å; F882-R886 PolarHBondContact O-N 3Å; F882-R886 VanDerWaalsContact O-N 3.17Å; I883-R886 PolarHBondContact O-N 3.31Å |
| 887 | L | 80.9 | Confident | 76.8 | Confident | 5 Ų | 5 | 71.3 Ų | 71.3 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 2.6 | 178.1 | -70.1 | 175.7 | 0 | 0 | 0 | 114.1 | F857 L861 L864 I883 E884 G889 Q890 Y891 I896 | F857-L887 HydrophobicContact CE2-CD1 3.83Å; F857-L887 HydrophobicContact CE2-CD2 4.28Å; F857-L887 HydrophobicContact CZ-CD1 4.29Å; L861-L887 HydrophobicContact CD1-CD1 4.48Å; L864-L887 HydrophobicContact CD1-CD2 4.02Å; L864-L887 HydrophobicContact CD1-CG 4.01Å; I883-L887 HydrophobicContact CG2-CD1 3.52Å; I883-L887 HydrophobicContact CG2-CG 4.17Å; I883-L887 VanDerWaalsContact O-CB 3.3Å; I883-L887 WeakPolarHBondContact O-CB 3.44Å; I883-L887 VanDerWaalsContact O-CG 3.26Å; I883-L887 WeakPolarHBondContact O-CG 3.38Å; I883-L887 PolarHBondContact O-N 3.46Å; E884-L887 PolarHBondContact O-N 3.41Å; L887-G889 PolarHBondContact O-N 3Å; L887-Q890 WeakPolarHBondContact O-CB 3.43Å; L887-Q890 WeakPolarHBondContact O-CG 3.23Å; L887-Q890 PolarHBondContact O-N 2.72Å; L887-Y891 HydrophobicContact CD1-CD2 4.14Å; L887-Y891 HydrophobicContact CD2-CD2 4.31Å; L887-Y891 HydrophobicContact CD2-CE2 4.47Å; L887-I896 HydrophobicContact CD1-CD1 3.95Å; L887-I896 HydrophobicContact CD1-CG1 3.96Å |
| 888 | Q | 74.4 | Confident | 77.1 | Confident | 166 Ų | 166 | 71.2 Ų | 71.2 | 78% | 0.776 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 38.5 | 173.8 | -61.1 | -177.4 | -21.3 | 0 | 0 | 114 | E884 E885 Q890 | E884-Q888 PolarHBondContact O-N 3.25Å; E885-Q888 PolarHBondContact O-N 3.34Å; Q888-Q890 PolarHBondContact O-N 3.1Å |
| 889 | G | 71.6 | Confident | 77.2 | Confident | 65 Ų | 65 | 69 Ų | 69 | 67% | 0.67 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | -3.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | L887 Y891 | L887-G889 PolarHBondContact O-N 3Å; G889-Y891 PolarHBondContact O-N 2.97Å |
| 890 | Q | 69.3 | Low | 77.2 | Confident | 137 Ų | 137 | 68.9 Ų | 68.9 | 64% | 0.64 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -58.3 | -17.5 | -177.6 | -67.6 | -176.5 | 1.6 | 0 | 0 | 114.7 | L887 Q888 | L887-Q890 WeakPolarHBondContact O-CB 3.43Å; L887-Q890 WeakPolarHBondContact O-CG 3.23Å; L887-Q890 PolarHBondContact O-N 2.72Å; Q888-Q890 PolarHBondContact O-N 3.1Å |
| 891 | Y | 76.6 | Confident | 77 | Confident | 51 Ų | 51 | 74.5 Ų | 74.5 | 20% | 0.2 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -136.8 | 125.5 | -178.5 | -60.8 | -94.5 | 0 | 0 | 0 | 110.2 | F857 L887 G889 K895 I896 | F857-Y891 HydrophobicContact CD1-CD1 4.41Å; F857-Y891 HydrophobicContact CD1-CE1 4.17Å; F857-Y891 HydrophobicContact CD2-CD1 4Å; F857-Y891 HydrophobicContact CD2-CD2 4.05Å; F857-Y891 AromaticContact CD2-CE1 3.56Å; F857-Y891 HydrophobicContact CD2-CE1 3.56Å; F857-Y891 AromaticContact CD2-CE2 3.63Å; F857-Y891 HydrophobicContact CD2-CE2 3.63Å; F857-Y891 HydrophobicContact CD2-CG 4.24Å; F857-Y891 AromaticContact CD2-CZ 3.37Å; F857-Y891 AromaticContact CE1-CD1 3.94Å; F857-Y891 HydrophobicContact CE1-CD1 3.94Å; F857-Y891 HydrophobicContact CE1-CE1 4.16Å; F857-Y891 HydrophobicContact CE1-CG 4.46Å; F857-Y891 AromaticContact CE2-CD1 3.52Å; F857-Y891 HydrophobicContact CE2-CD1 3.52Å; F857-Y891 AromaticContact CE2-CD2 3.41Å; F857-Y891 HydrophobicContact CE2-CD2 3.41Å; F857-Y891 VanDerWaalsContact CE2-CD2 3.41Å; F857-Y891 AromaticContact CE2-CE1 3.6Å; F857-Y891 HydrophobicContact CE2-CE1 3.6Å; F857-Y891 AromaticContact CE2-CE2 3.51Å; F857-Y891 HydrophobicContact CE2-CE2 3.51Å; F857-Y891 AromaticContact CE2-CG 3.44Å; F857-Y891 HydrophobicContact CE2-CG 3.44Å; F857-Y891 VanDerWaalsContact CE2-CG 3.44Å; F857-Y891 AromaticContact CE2-CZ 3.6Å; F857-Y891 HydrophobicContact CG-CD1 4.43Å; F857-Y891 AromaticContact CG-CE1 3.87Å; F857-Y891 HydrophobicContact CG-CE1 3.87Å; F857-Y891 AromaticContact CZ-CD1 3.48Å; F857-Y891 HydrophobicContact CZ-CD1 3.48Å; F857-Y891 VanDerWaalsContact CZ-CD1 3.48Å; F857-Y891 HydrophobicContact CZ-CD2 4.04Å; F857-Y891 AromaticContact CZ-CE1 3.91Å; F857-Y891 HydrophobicContact CZ-CE1 3.91Å; F857-Y891 HydrophobicContact CZ-CE2 4.43Å; F857-Y891 AromaticContact CZ-CG 3.57Å; F857-Y891 HydrophobicContact CZ-CG 3.57Å; L887-Y891 HydrophobicContact CD1-CD2 4.14Å; L887-Y891 HydrophobicContact CD2-CD2 4.31Å; L887-Y891 HydrophobicContact CD2-CE2 4.47Å; G889-Y891 PolarHBondContact O-N 2.97Å; Y891-K895 HydrophobicContact CD1-CD 3.81Å; Y891-K895 HydrophobicContact CD1-CG 4.22Å; Y891-I896 WeakPolarHBondContact O-CD1 3.38Å |
| 892 | S | 74.2 | Confident | 76.6 | Confident | 75 Ų | 75 | 77.9 Ų | 77.9 | 52% | 0.524 | 36% | 0.361 | S | S | . | . | trans | -61.3 | 149.3 | 176.3 | 71.8 | 0 | 0 | 0 | 0 | 112.1 | K894 K895 I896 | S892-K894 PolarHBondContact O-N 2.92Å; S892-K895 WeakPolarHBondContact O-CA 3.44Å; S892-K895 WeakPolarHBondContact O-CB 3.49Å; S892-K895 PolarHBondContact O-N 3.31Å; S892-I896 PolarHBondContact O-N 2.97Å | ||
| 893 | R | 75.1 | Confident | 76.2 | Confident | 129 Ų | 129 | 77.7 Ų | 77.7 | 49% | 0.487 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -45.8 | -39.3 | 176.1 | -169.4 | 173.5 | -164.9 | 100.6 | -5.8 | 113.6 | I880 E884 I897 | I880-R893 HydrophobicContact CG2-CG 4.04Å; E884-R893 WeakPolarHBondContact OE1-CB 3.42Å; E884-R893 WeakPolarHBondContact OE1-CD 3.15Å; E884-R893 WeakPolarHBondContact OE1-CG 3.47Å; E884-R893 IonicContact OE1-CZ 3.63Å; E884-R893 IonicContact OE1-NE 3.85Å; E884-R893 IonicContact OE1-NH1 2.69Å; E884-R893 PolarHBondContact OE1-NH1 3.26Å; E884-R893 IonicContact OE2-CZ 2.69Å; E884-R893 IonicContact OE2-NH1 3.79Å; E884-R893 PolarHBondContact OE2-NH1 3.14Å; R893-I897 HydrophobicContact CG-CD1 3.9Å; R893-I897 WeakPolarHBondContact O-CB 3.39Å; R893-I897 WeakPolarHBondContact O-CD1 3.38Å; R893-I897 VanDerWaalsContact O-CG1 3.23Å; R893-I897 WeakPolarHBondContact O-CG1 3.49Å; R893-I897 PolarHBondContact O-N 3.42Å |
| 894 | K | 70.2 | Confident | 75.7 | Confident | 157 Ų | 157 | 84.9 Ų | 84.9 | 68% | 0.683 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -67.2 | -33.7 | 177 | -71.1 | 175.4 | -178.4 | 166 | 0 | 113 | S892 R898 | S892-K894 PolarHBondContact O-N 2.92Å; K894-R898 WeakPolarHBondContact O-CB 3.32Å; K894-R898 WeakPolarHBondContact O-CG 3.16Å; K894-R898 PolarHBondContact O-N 3.29Å |
| 895 | K | 69.8 | Low | 75.4 | Confident | 96 Ų | 96 | 82.9 Ų | 82.9 | 42% | 0.417 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -75.3 | -43.4 | 177.4 | -165.2 | 167.5 | 176.9 | -175.8 | 0 | 110.3 | Y891 S892 R898 A899 | Y891-K895 HydrophobicContact CD1-CD 3.81Å; Y891-K895 HydrophobicContact CD1-CG 4.22Å; S892-K895 WeakPolarHBondContact O-CA 3.44Å; S892-K895 WeakPolarHBondContact O-CB 3.49Å; S892-K895 PolarHBondContact O-N 3.31Å; K895-R898 PolarHBondContact O-N 3.3Å; K895-A899 PolarHBondContact O-N 3.09Å |
| 896 | I | 80.1 | Confident | 74.6 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.6 | -54.2 | 171.5 | -65.2 | 167.2 | 0 | 0 | 0 | 110.8 | L861 I883 E884 L887 Y891 S892 R898 A899 M900 | L861-I896 HydrophobicContact CD1-CG2 4.47Å; I883-I896 HydrophobicContact CB-CG2 4.38Å; I883-I896 HydrophobicContact CG2-CD1 4.25Å; I883-I896 HydrophobicContact CG2-CG1 4.41Å; I883-I896 HydrophobicContact CG2-CG2 3.67Å; E884-I896 HydrophobicContact CG-CD1 3.67Å; L887-I896 HydrophobicContact CD1-CD1 3.95Å; L887-I896 HydrophobicContact CD1-CG1 3.96Å; Y891-I896 WeakPolarHBondContact O-CD1 3.38Å; S892-I896 PolarHBondContact O-N 2.97Å; I896-R898 VanDerWaalsContact C-N 3.26Å; I896-R898 PolarHBondContact O-N 3.37Å; I896-A899 PolarHBondContact O-N 2.81Å; I896-A899 VanDerWaalsContact O-N 3.12Å; I896-M900 HydrophobicContact CG2-CG 4.28Å; I896-M900 HydrophobicContact CG2-SD 3.98Å; I896-M900 WeakPolarHBondContact O-CG 3.36Å; I896-M900 PolarHBondContact O-N 3.48Å |
| 897 | I | 76.2 | Confident | 73.5 | Confident | 29 Ų | 29 | 74.9 Ų | 74.9 | 15% | 0.149 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.8 | -33.2 | 179.9 | -69.4 | 166.8 | 0 | 0 | 0 | 112.3 | I880 R893 K901 L907 | I880-I897 HydrophobicContact CD1-CD1 4.05Å; I880-I897 HydrophobicContact CD1-CG1 4.04Å; R893-I897 HydrophobicContact CG-CD1 3.9Å; R893-I897 WeakPolarHBondContact O-CB 3.39Å; R893-I897 WeakPolarHBondContact O-CD1 3.38Å; R893-I897 VanDerWaalsContact O-CG1 3.23Å; R893-I897 WeakPolarHBondContact O-CG1 3.49Å; R893-I897 PolarHBondContact O-N 3.42Å; I897-K901 HydrophobicContact CG2-CD 4.46Å; I897-K901 WeakPolarHBondContact O-CG 3.48Å; I897-K901 PolarHBondContact O-N 2.86Å; I897-L907 HydrophobicContact CG2-CD2 3.95Å |
| 898 | R | 71.6 | Confident | 72.2 | Confident | 136 Ų | 136 | 79 Ų | 79 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.4 | -45.6 | 174.1 | -84.1 | -172.3 | -108.7 | 174.1 | -5.2 | 111.7 | K894 K895 I896 K901 R902 | K894-R898 WeakPolarHBondContact O-CB 3.32Å; K894-R898 WeakPolarHBondContact O-CG 3.16Å; K894-R898 PolarHBondContact O-N 3.29Å; K895-R898 PolarHBondContact O-N 3.3Å; I896-R898 VanDerWaalsContact C-N 3.26Å; I896-R898 PolarHBondContact O-N 3.37Å; R898-K901 PolarHBondContact O-N 3.3Å; R898-R902 PolarHBondContact O-N 3.1Å |
| 899 | A | 75.6 | Confident | 71.1 | Confident | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.008 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68 | -37.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F857 L861 K895 I896 K901 R902 C903 | F857-A899 HydrophobicContact CD1-CB 3.98Å; F857-A899 HydrophobicContact CE1-CB 3.44Å; F857-A899 VanDerWaalsContact CE1-CB 3.44Å; F857-A899 HydrophobicContact CZ-CB 4.38Å; L861-A899 VanDerWaalsContact CD2-C 3.47Å; L861-A899 HydrophobicContact CD2-CB 3.66Å; K895-A899 PolarHBondContact O-N 3.09Å; I896-A899 PolarHBondContact O-N 2.81Å; I896-A899 VanDerWaalsContact O-N 3.12Å; A899-K901 VanDerWaalsContact C-N 3.28Å; A899-K901 PolarHBondContact O-N 2.95Å; A899-R902 WeakPolarHBondContact O-CB 3.11Å; A899-R902 PolarHBondContact O-N 3.29Å; A899-C903 WeakPolarHBondContact O-CB 3.27Å; A899-C903 PolarHBondContact O-N 2.99Å; A899-C903 PolarHBondContact O-SG 3.32Å; A899-C903 VanDerWaalsContact O-SG 3.33Å |
| 900 | M | 78.2 | Confident | 69.7 | Low | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.2 | -41.4 | 172.4 | -70.3 | 178.7 | 78.4 | 0 | 0 | 111.7 | L861 L879 I880 I883 I896 C903 D904 I905 L907 | L861-M900 HydrophobicContact CD2-CB 4.35Å; L861-M900 HydrophobicContact CD2-CG 3.78Å; L861-M900 HydrophobicContact CG-CG 4.38Å; L879-M900 HydrophobicContact CD2-CE 3.41Å; L879-M900 VanDerWaalsContact CD2-CE 3.41Å; L879-M900 HydrophobicContact CG-CE 3.74Å; I880-M900 HydrophobicContact CG1-SD 4.45Å; I883-M900 HydrophobicContact CD1-CE 3.97Å; I883-M900 HydrophobicContact CD1-CG 4.42Å; I883-M900 HydrophobicContact CD1-SD 3.91Å; I896-M900 HydrophobicContact CG2-CG 4.28Å; I896-M900 HydrophobicContact CG2-SD 3.98Å; I896-M900 WeakPolarHBondContact O-CG 3.36Å; I896-M900 PolarHBondContact O-N 3.48Å; M900-C903 PolarHBondContact O-N 2.76Å; M900-D904 PolarHBondContact O-N 2.88Å; M900-I905 HydrophobicContact CB-CB 4.25Å; M900-I905 HydrophobicContact CE-CB 4.44Å; M900-I905 HydrophobicContact CE-CG2 3.68Å; M900-I905 HydrophobicContact CG-CD1 4.48Å; M900-I905 PolarHBondContact O-N 3.37Å; M900-L907 HydrophobicContact CE-CD1 3.59Å; M900-L907 HydrophobicContact SD-CD1 3.85Å |
| 901 | K | 76.3 | Confident | 68.3 | Low | 128 Ų | 128 | 76.7 Ų | 76.7 | 56% | 0.557 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -69.3 | -31 | 174.5 | -72.7 | 173.3 | -179.1 | 178.6 | 0 | 113.4 | I897 R898 A899 | I897-K901 HydrophobicContact CG2-CD 4.46Å; I897-K901 WeakPolarHBondContact O-CG 3.48Å; I897-K901 PolarHBondContact O-N 2.86Å; R898-K901 PolarHBondContact O-N 3.3Å; A899-K901 VanDerWaalsContact C-N 3.28Å; A899-K901 PolarHBondContact O-N 2.95Å |
| 902 | R | 72.3 | Confident | 66.7 | Low | 103 Ų | 103 | 77.9 Ų | 77.9 | 39% | 0.389 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -72 | -32.2 | 173.2 | -163.7 | -169.5 | -58.8 | 116.7 | -3.9 | 111.8 | M850 D858 R898 A899 D904 | M850-R902 PolarHBondContact SD-NH2 3.02Å; D858-R902 IonicContact OD1-NH1 2.65Å; D858-R902 PolarHBondContact OD1-NH1 2.83Å; D858-R902 VanDerWaalsContact OD1-NH1 3.13Å; D858-R902 WeakPolarHBondContact OD2-CD 3.43Å; D858-R902 IonicContact OD2-NH1 2.75Å; D858-R902 PolarHBondContact OD2-NH1 3.24Å; R898-R902 PolarHBondContact O-N 3.1Å; A899-R902 WeakPolarHBondContact O-CB 3.11Å; A899-R902 PolarHBondContact O-N 3.29Å; R902-D904 VanDerWaalsContact C-N 3.33Å |
| 903 | C | 76 | Confident | 65.2 | Low | 17 Ų | 17 | 81.5 Ų | 81.5 | 12% | 0.115 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 5.5 | -179.8 | -69.2 | 0 | 0 | 0 | 0 | 114.7 | D858 K862 A899 M900 I905 | D858-C903 VanDerWaalsContact CB-SG 3.54Å; D858-C903 VanDerWaalsContact CG-SG 3.56Å; K862-C903 HydrophobicContact CG-CB 4.39Å; A899-C903 WeakPolarHBondContact O-CB 3.27Å; A899-C903 PolarHBondContact O-N 2.99Å; A899-C903 PolarHBondContact O-SG 3.32Å; A899-C903 VanDerWaalsContact O-SG 3.33Å; M900-C903 PolarHBondContact O-N 2.76Å; C903-I905 HydrophobicContact CB-CD1 3.81Å; C903-I905 HydrophobicContact CB-CG1 3.81Å; C903-I905 PolarHBondContact O-N 2.89Å |
| 904 | D | 73.6 | Confident | 63.6 | Low | 150 Ų | 150 | 85.6 Ų | 85.6 | 80% | 0.802 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 31.5 | -172 | -72.4 | -39.7 | 0 | 0 | 0 | 114.5 | M900 R902 P906 | M900-D904 PolarHBondContact O-N 2.88Å; R902-D904 VanDerWaalsContact C-N 3.33Å; D904-P906 WeakPolarHBondContact O-CD 3.3Å |
| 905 | I | 75.5 | Confident | 62 | Low | 12 Ų | 12 | 87 Ų | 87 | 6% | 0.062 | 42% | 0.423 | C | S | . | . | trans | -77.4 | 123.2 | 177.2 | -63.3 | 172.5 | 0 | 0 | 0 | 109.4 | L861 Y865 L879 M900 C903 L907 | L861-I905 HydrophobicContact CD2-CD1 4.06Å; L861-I905 HydrophobicContact CG-CD1 4.21Å; Y865-I905 HydrophobicContact CD1-CG1 4.43Å; Y865-I905 HydrophobicContact CD1-CG2 4.28Å; Y865-I905 HydrophobicContact CD2-CG2 3.42Å; Y865-I905 VanDerWaalsContact CD2-CG2 3.42Å; Y865-I905 HydrophobicContact CE1-CG2 4.45Å; Y865-I905 HydrophobicContact CE2-CG2 3.62Å; Y865-I905 HydrophobicContact CG-CD1 4.35Å; Y865-I905 HydrophobicContact CG-CG1 4.35Å; Y865-I905 HydrophobicContact CG-CG2 3.77Å; L879-I905 HydrophobicContact CD2-CG2 4.18Å; M900-I905 HydrophobicContact CB-CB 4.25Å; M900-I905 HydrophobicContact CE-CB 4.44Å; M900-I905 HydrophobicContact CE-CG2 3.68Å; M900-I905 HydrophobicContact CG-CD1 4.48Å; M900-I905 PolarHBondContact O-N 3.37Å; C903-I905 HydrophobicContact CB-CD1 3.81Å; C903-I905 HydrophobicContact CB-CG1 3.81Å; C903-I905 PolarHBondContact O-N 2.89Å; I905-L907 PolarHBondContact O-N 3.02Å | ||
| 906 | P | 67.5 | Low | 60.7 | Low | 67 Ų | 67 | 91.7 Ų | 91.7 | 44% | 0.435 | 44% | 0.443 | S | S | . | . | trans | -58.2 | 118.8 | -178.1 | -26 | 34.9 | 0 | 0 | 0 | 113.3 | Y865 D904 | Y865-P906 WeakPolarHBondContact OH-CD 3.46Å; D904-P906 WeakPolarHBondContact O-CD 3.3Å | ||
| 907 | L | 57.6 | Low | 58.9 | Low | 48 Ų | 48 | 101.3 Ų | 101.3 | 25% | 0.251 | 49% | 0.485 | S | S | . | . | trans | -115.5 | 102.2 | -176.4 | -164.7 | 82.4 | 0 | 0 | 0 | 111.4 | I880 I897 M900 I905 L909 | I880-L907 HydrophobicContact CD1-CD1 4.12Å; I880-L907 HydrophobicContact CG1-CD1 4.2Å; I897-L907 HydrophobicContact CG2-CD2 3.95Å; M900-L907 HydrophobicContact CE-CD1 3.59Å; M900-L907 HydrophobicContact SD-CD1 3.85Å; I905-L907 PolarHBondContact O-N 3.02Å; L907-L909 HydrophobicContact CD2-CD1 3.77Å; L907-L909 HydrophobicContact CD2-CD2 4.26Å; L907-L909 HydrophobicContact CD2-CG 3.77Å; L907-L909 HydrophobicContact CG-CD2 4.47Å; L907-L909 HydrophobicContact CG-CG 4.06Å | ||
| 908 | V | 53.6 | Low | 57.2 | Low | 91 Ų | 91 | 105.2 Ų | 105.2 | 55% | 0.552 | 52% | 0.515 | S | S | * | . | trans | -92.9 | 96.3 | 169.3 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | L876 | L876-V908 HydrophobicContact CD2-CG2 4.31Š| ||
| 909 | L | 51.3 | Low | 56 | Low | 85 Ų | 85 | 109.5 Ų | 109.5 | 45% | 0.445 | 53% | 0.531 | S | S | . | . | trans | -83.9 | 138.1 | 171.6 | -72.9 | 170.6 | 0 | 0 | 0 | 110.4 | I880 L907 | I880-L909 HydrophobicContact CD1-CD2 3.75Å; L907-L909 HydrophobicContact CD2-CD1 3.77Å; L907-L909 HydrophobicContact CD2-CD2 4.26Å; L907-L909 HydrophobicContact CD2-CG 3.77Å; L907-L909 HydrophobicContact CG-CD2 4.47Å; L907-L909 HydrophobicContact CG-CG 4.06Å | ||
| 910 | P | 42.6 | Very low | 55.2 | Low | 81 Ų | 81 | 112.2 Ų | 112.2 | 53% | 0.526 | 56% | 0.56 | S | S | . | * | trans | -53.8 | 146.6 | 172.9 | -27.5 | 35.6 | 0 | 0 | 0 | 113.2 | S912 | P910-S912 PolarHBondContact O-N 2.88Š| ||
| 911 | L | 40 | Very low | 54.7 | Low | 154 Ų | 154 | 120.1 Ų | 120.1 | 81% | 0.806 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -67.4 | -5.6 | -167.3 | -75.1 | 161 | 0 | 0 | 0 | 115.8 | D913 | L911-D913 PolarHBondContact O-N 2.98Š|
| 912 | S | 43.6 | Very low | 54.7 | Low | 77 Ų | 77 | 116.4 Ų | 116.4 | 54% | 0.538 | 58% | 0.579 | S | S | . | * | G | 310 helix | trans | -71.8 | -24.4 | -167.6 | -51.4 | 0 | 0 | 0 | 0 | 115.5 | P910 R914 | P910-S912 PolarHBondContact O-N 2.88Å; S912-R914 PolarHBondContact O-N 2.7Å |
| 913 | D | 43.4 | Very low | 55.2 | Low | 151 Ų | 151 | 114.8 Ų | 114.8 | 81% | 0.807 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -88.4 | 3.2 | -170.1 | -99.5 | -17.1 | 0 | 0 | 0 | 115.9 | L911 R915 | L911-D913 PolarHBondContact O-N 2.98Å; D913-R915 PolarHBondContact O-N 3.39Å |
| 914 | R | 40.9 | Very low | 55.5 | Low | 215 Ų | 215 | 117.8 Ų | 117.8 | 81% | 0.811 | 61% | 0.607 | S | S | * | * | trans | -80.8 | -1.5 | -170 | -78.6 | -168.9 | 171.8 | -152 | 0.2 | 116.7 | S912 K916 | S912-R914 PolarHBondContact O-N 2.7Å; R914-K916 PolarHBondContact O-N 3.2Å; R914-K916 VanDerWaalsContact O-N 3.16Å | ||
| 915 | R | 36.6 | Very low | 55.9 | Low | 187 Ų | 187 | 116.8 Ų | 116.8 | 71% | 0.706 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 4.8 | -164.1 | -72.3 | -171.8 | 174.1 | -174.4 | -2.4 | 118.4 | D913 | D913-R915 PolarHBondContact O-N 3.39Š|
| 916 | K | 43.1 | Very low | 56.3 | Low | 193 Ų | 193 | 116.9 Ų | 116.9 | 84% | 0.839 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | 17.7 | -172.9 | -74.9 | -174.8 | 176.9 | 176.2 | 0 | 118 | R914 | R914-K916 PolarHBondContact O-N 3.2Å; R914-K916 VanDerWaalsContact O-N 3.16Å |
| 917 | K | 40.6 | Very low | 57.2 | Low | 203 Ų | 203 | 116.6 Ų | 116.6 | 88% | 0.883 | 60% | 0.595 | S | S | * | * | trans | -123.8 | 12.8 | -169.7 | -82.7 | -171.4 | 175 | -177.9 | 0 | 119.9 | ||||
| 918 | S | 41.6 | Very low | 58.5 | Low | 111 Ų | 111 | 117.2 Ų | 117.2 | 78% | 0.776 | 61% | 0.607 | S | S | * | * | trans | -84.3 | -9.9 | -176.2 | 57.2 | 0 | 0 | 0 | 0 | 117.3 | G920 | S918-G920 PolarHBondContact O-N 3.39Š| ||
| 919 | R | 47.1 | Very low | 60.2 | Low | 225 Ų | 225 | 114.4 Ų | 114.4 | 85% | 0.849 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 18.3 | -172.9 | -69.5 | -175.6 | 173.2 | 174.3 | -2.8 | 116.2 | R955 | R919-R955 PolarHBondContact O-NH1 2.97Š|
| 920 | G | 57.9 | Low | 62 | Low | 59 Ų | 59 | 110.3 Ų | 110.3 | 61% | 0.608 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -33.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | S918 | S918-G920 PolarHBondContact O-N 3.39Š|
| 921 | Q | 68.1 | Low | 64.1 | Low | 166 Ų | 166 | 109 Ų | 109 | 78% | 0.776 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 150.1 | -177.8 | -82.4 | 154 | -38 | 0 | 0 | 111.4 | R955 | Q921-R955 PolarHBondContact O-NH2 3.26Š|
| 922 | W | 75.7 | Confident | 66.4 | Low | 49 Ų | 49 | 109 Ų | 109 | 19% | 0.186 | 55% | 0.546 | C | S | . | . | P | Polyproline II helix | trans | -95.3 | 132.6 | 171.7 | -72.4 | 79.1 | 0 | 0 | 0 | 108.4 | E926 E927 L930 M951 R955 Q959 K963 | W922-E926 WeakPolarHBondContact CA-OE2 3.22Å; W922-E926 HydrophobicContact CE3-CB 3.94Å; W922-E926 HydrophobicContact CZ3-CB 4.44Å; W922-E927 HydrophobicContact CB-CG 4.11Å; W922-L930 HydrophobicContact CE3-CD2 4.38Å; W922-L930 HydrophobicContact CH2-CD2 3.97Å; W922-L930 HydrophobicContact CZ3-CB 4.25Å; W922-L930 HydrophobicContact CZ3-CD2 3.73Å; W922-L930 HydrophobicContact CZ3-CG 4.43Å; W922-M951 HydrophobicContact CH2-CE 3.97Å; W922-M951 HydrophobicContact CH2-SD 4.19Å; W922-M951 HydrophobicContact CZ3-CE 3.62Å; W922-M951 HydrophobicContact CZ3-SD 4.21Å; W922-R955 HydrophobicContact CH2-CB 4.45Å; W922-R955 HydrophobicContact CH2-CG 4.11Å; W922-R955 HydrophobicContact CZ2-CG 4.47Å; W922-Q959 HydrophobicContact CZ2-CB 4.43Å; W922-K963 HydrophobicContact CD2-CB 4.31Å; W922-K963 HydrophobicContact CD2-CD 3.89Å; W922-K963 HydrophobicContact CD2-CG 3.69Å; W922-K963 HydrophobicContact CE3-CG 3.96Å; W922-K963 HydrophobicContact CG-CD 3.93Å; W922-K963 HydrophobicContact CG-CG 4.28Å; W922-K963 HydrophobicContact CH2-CB 3.87Å; W922-K963 HydrophobicContact CH2-CG 4.01Å; W922-K963 HydrophobicContact CZ2-CB 3.39Å; W922-K963 HydrophobicContact CZ2-CD 4.5Å; W922-K963 HydrophobicContact CZ2-CG 3.72Å; W922-K963 HydrophobicContact CZ3-CB 4.47Å; W922-K963 HydrophobicContact CZ3-CG 4.11Å |
| 923 | T | 82.9 | Confident | 68.6 | Low | 70 Ų | 70 | 105.5 Ų | 105.5 | 43% | 0.429 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -84.6 | 161.4 | 171.2 | 71.6 | 0 | 0 | 0 | 0 | 111.1 | D925 E926 E927 | T923-D925 PolarHBondContact O-N 2.86Å; T923-E926 PolarHBondContact N-OE2 3.39Å; T923-E926 PolarHBondContact O-N 3.02Å; T923-E926 WeakPolarHBondContact OG1-CG 3.49Å; T923-E926 PolarHBondContact OG1-N 3.26Å; T923-E926 VanDerWaalsContact OG1-N 3.12Å; T923-E927 WeakPolarHBondContact O-CG 3.3Å; T923-E927 PolarHBondContact O-N 3.34Å |
| 924 | A | 82.4 | Confident | 70.8 | Confident | 79 Ų | 79 | 99.2 Ų | 99.2 | 65% | 0.653 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.4 | -34.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E927 A928 | A924-E927 PolarHBondContact O-N 2.96Å; A924-A928 WeakPolarHBondContact O-CB 3.38Å; A924-A928 PolarHBondContact O-N 2.66Å |
| 925 | D | 83 | Confident | 72.9 | Confident | 130 Ų | 130 | 93.3 Ų | 93.3 | 70% | 0.695 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -68.5 | -40.8 | 176.5 | -53.4 | -52 | 0 | 0 | 0 | 111.8 | T923 E927 A928 E929 | T923-D925 PolarHBondContact O-N 2.86Å; D925-E927 VanDerWaalsContact C-N 3.34Å; D925-E927 PolarHBondContact O-N 3.47Å; D925-A928 PolarHBondContact O-N 3.42Å; D925-E929 WeakPolarHBondContact O-CB 3.3Å; D925-E929 PolarHBondContact O-N 3.2Å |
| 926 | E | 82.7 | Confident | 75.3 | Confident | 13 Ų | 13 | 90.2 Ų | 90.2 | 6% | 0.061 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66.2 | -34.2 | 173.8 | -72.7 | -179.8 | 118.2 | 0 | 0 | 112.5 | W922 T923 L930 T953 R955 | W922-E926 WeakPolarHBondContact CA-OE2 3.22Å; W922-E926 HydrophobicContact CE3-CB 3.94Å; W922-E926 HydrophobicContact CZ3-CB 4.44Å; T923-E926 PolarHBondContact N-OE2 3.39Å; T923-E926 PolarHBondContact O-N 3.02Å; T923-E926 WeakPolarHBondContact OG1-CG 3.49Å; T923-E926 PolarHBondContact OG1-N 3.26Å; T923-E926 VanDerWaalsContact OG1-N 3.12Å; E926-L930 WeakPolarHBondContact O-CB 3.33Å; E926-L930 PolarHBondContact O-N 3.46Å; E926-T953 HydrophobicContact CG-CG2 3.79Å; E926-T953 WeakPolarHBondContact OE1-CB 3.03Å; E926-T953 WeakPolarHBondContact OE1-CG2 3.23Å; E926-T953 PolarHBondContact OE1-OG1 2.98Å; E926-R955 IonicContact OE1-CZ 2.6Å; E926-R955 VanDerWaalsContact OE1-CZ 3.23Å; E926-R955 IonicContact OE1-NE 2.68Å; E926-R955 PolarHBondContact OE1-NE 2.89Å; E926-R955 IonicContact OE1-NH2 3.74Å; E926-R955 PolarHBondContact OE1-NH2 2.95Å; E926-R955 IonicContact OE2-CZ 2.63Å; E926-R955 IonicContact OE2-NH2 3.29Å; E926-R955 PolarHBondContact OE2-NH2 3.44Å |
| 927 | E | 86.6 | Confident | 77.3 | Confident | 62 Ų | 62 | 82.8 Ų | 82.8 | 29% | 0.29 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -71.2 | -37.9 | 175.1 | -70.6 | -178.9 | -178.2 | 0 | 0 | 111.9 | W922 T923 A924 D925 T931 K963 | W922-E927 HydrophobicContact CB-CG 4.11Å; T923-E927 WeakPolarHBondContact O-CG 3.3Å; T923-E927 PolarHBondContact O-N 3.34Å; A924-E927 PolarHBondContact O-N 2.96Å; D925-E927 VanDerWaalsContact C-N 3.34Å; D925-E927 PolarHBondContact O-N 3.47Å; E927-T931 WeakPolarHBondContact O-CB 3.39Å; E927-T931 PolarHBondContact O-N 3.07Å; E927-T931 PolarHBondContact O-OG1 3.47Å; E927-K963 WeakPolarHBondContact OE1-CE 3.33Å; E927-K963 IonicContact OE1-NZ 3.25Å; E927-K963 PolarHBondContact OE1-NZ 3.06Å |
| 928 | A | 85.8 | Confident | 79.3 | Confident | 61 Ų | 61 | 77.4 Ų | 77.4 | 50% | 0.504 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.3 | -43.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A924 D925 T931 R932 | A924-A928 WeakPolarHBondContact O-CB 3.38Å; A924-A928 PolarHBondContact O-N 2.66Å; D925-A928 PolarHBondContact O-N 3.42Å; A928-T931 PolarHBondContact O-N 3.26Å; A928-R932 WeakPolarHBondContact O-CB 3.34Å; A928-R932 PolarHBondContact O-N 3.48Å |
| 929 | E | 88.5 | Confident | 81 | Confident | 31 Ų | 31 | 77.5 Ų | 77.5 | 15% | 0.145 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 174.1 | -174.9 | 178.4 | -159.3 | 0 | 0 | 111.1 | D925 T931 R932 L933 S952 | D925-E929 WeakPolarHBondContact O-CB 3.3Å; D925-E929 PolarHBondContact O-N 3.2Å; E929-T931 VanDerWaalsContact C-N 3.29Å; E929-T931 PolarHBondContact O-N 3.36Å; E929-R932 WeakPolarHBondContact O-CB 3.46Å; E929-R932 PolarHBondContact O-N 2.97Å; E929-L933 HydrophobicContact CG-CD1 3.78Å; E929-L933 HydrophobicContact CG-CG 4.24Å; E929-L933 WeakPolarHBondContact O-CB 3.34Å; E929-L933 VanDerWaalsContact O-CG 3.28Å; E929-L933 WeakPolarHBondContact O-CG 3.26Å; E929-L933 PolarHBondContact O-N 3.27Å; E929-S952 WeakPolarHBondContact OE1-CB 3.34Å; E929-S952 PolarHBondContact OE1-N 3.28Å; E929-S952 PolarHBondContact OE1-OG 3.47Å; E929-S952 WeakPolarHBondContact OE2-CB 3.19Å; E929-S952 PolarHBondContact OE2-N 2.94Å; E929-S952 PolarHBondContact OE2-OG 3.4Å |
| 930 | L | 88.9 | Confident | 82.5 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.9 | -42.2 | 176.1 | 177.3 | 64.5 | 0 | 0 | 0 | 112 | W922 E926 Y934 I947 M951 V960 K963 L964 L967 | W922-L930 HydrophobicContact CE3-CD2 4.38Å; W922-L930 HydrophobicContact CH2-CD2 3.97Å; W922-L930 HydrophobicContact CZ3-CB 4.25Å; W922-L930 HydrophobicContact CZ3-CD2 3.73Å; W922-L930 HydrophobicContact CZ3-CG 4.43Å; E926-L930 WeakPolarHBondContact O-CB 3.33Å; E926-L930 PolarHBondContact O-N 3.46Å; L930-Y934 VanDerWaalsContact O-CB 3.24Å; L930-Y934 WeakPolarHBondContact O-CB 3.46Å; L930-Y934 PolarHBondContact O-N 3.03Å; L930-I947 HydrophobicContact CD1-CG2 3.53Å; L930-M951 HydrophobicContact CD1-SD 4.23Å; L930-V960 HydrophobicContact CD1-CG1 4.1Å; L930-K963 HydrophobicContact CD2-CB 3.81Å; L930-K963 HydrophobicContact CD2-CG 3.39Å; L930-L964 HydrophobicContact CD1-CD2 3.94Å; L930-L964 HydrophobicContact CD1-CG 4.32Å; L930-L964 HydrophobicContact CD2-CD2 4.37Å; L930-L964 HydrophobicContact CG-CD2 4.08Å; L930-L967 HydrophobicContact CD2-CD1 3.75Å |
| 931 | T | 86.6 | Confident | 83.1 | Confident | 53 Ų | 53 | 78.3 Ų | 78.3 | 33% | 0.325 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.6 | -37 | 179 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | E927 A928 E929 N935 | E927-T931 WeakPolarHBondContact O-CB 3.39Å; E927-T931 PolarHBondContact O-N 3.07Å; E927-T931 PolarHBondContact O-OG1 3.47Å; A928-T931 PolarHBondContact O-N 3.26Å; E929-T931 VanDerWaalsContact C-N 3.29Å; E929-T931 PolarHBondContact O-N 3.36Å; T931-N935 PolarHBondContact O-N 2.87Å; T931-N935 PolarHBondContact O-ND2 3.04Å |
| 932 | R | 89.4 | Confident | 83.7 | Confident | 154 Ų | 154 | 73.6 Ų | 73.6 | 58% | 0.581 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.1 | -52.9 | 173.3 | -174.7 | -173.3 | 69.6 | 127.3 | 1.2 | 111 | A928 E929 Y934 N935 E936 | A928-R932 WeakPolarHBondContact O-CB 3.34Å; A928-R932 PolarHBondContact O-N 3.48Å; E929-R932 WeakPolarHBondContact O-CB 3.46Å; E929-R932 PolarHBondContact O-N 2.97Å; R932-Y934 VanDerWaalsContact C-N 3.31Å; R932-Y934 PolarHBondContact O-N 3.44Å; R932-N935 PolarHBondContact O-N 3.26Å; R932-N935 VanDerWaalsContact O-N 3.14Å; R932-E936 PolarHBondContact O-N 3.24Å |
| 933 | L | 89.3 | Confident | 84.1 | Confident | 4 Ų | 4 | 71.8 Ų | 71.8 | 2% | 0.021 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.7 | -35.7 | -179.6 | -66 | 173.7 | 0 | 0 | 0 | 111.9 | E929 N935 E936 F937 I947 A950 M951 | E929-L933 HydrophobicContact CG-CD1 3.78Å; E929-L933 HydrophobicContact CG-CG 4.24Å; E929-L933 WeakPolarHBondContact O-CB 3.34Å; E929-L933 VanDerWaalsContact O-CG 3.28Å; E929-L933 WeakPolarHBondContact O-CG 3.26Å; E929-L933 PolarHBondContact O-N 3.27Å; L933-N935 PolarHBondContact O-N 3.37Å; L933-E936 PolarHBondContact O-N 2.9Å; L933-F937 HydrophobicContact CB-CD2 4.37Å; L933-F937 HydrophobicContact CD2-CD2 4.48Å; L933-F937 HydrophobicContact CD2-CE2 4.01Å; L933-F937 VanDerWaalsContact O-CD2 3.28Å; L933-F937 WeakPolarHBondContact O-CD2 3.39Å; L933-F937 PolarHBondContact O-N 3.31Å; L933-I947 HydrophobicContact CB-CG1 4.19Å; L933-I947 HydrophobicContact CB-CG2 4.3Å; L933-A950 HydrophobicContact CD1-CB 4.15Å; L933-A950 HydrophobicContact CD2-CB 3.73Å; L933-M951 HydrophobicContact CD1-CB 4.23Å; L933-M951 HydrophobicContact CD1-CG 3.5Å |
| 934 | Y | 89.2 | Confident | 84.1 | Confident | 19 Ų | 19 | 68.9 Ų | 68.9 | 8% | 0.075 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 172.9 | 175.3 | -97 | 0 | 0 | 0 | 112.2 | L930 R932 E936 F937 K938 I947 L964 L969 P970 | L930-Y934 VanDerWaalsContact O-CB 3.24Å; L930-Y934 WeakPolarHBondContact O-CB 3.46Å; L930-Y934 PolarHBondContact O-N 3.03Å; R932-Y934 VanDerWaalsContact C-N 3.31Å; R932-Y934 PolarHBondContact O-N 3.44Å; Y934-E936 PolarHBondContact O-N 3.17Å; Y934-F937 PolarHBondContact O-N 3.13Å; Y934-K938 HydrophobicContact CE1-CB 4.49Å; Y934-K938 HydrophobicContact CE2-CB 4.45Å; Y934-K938 VanDerWaalsContact O-CB 3.25Å; Y934-K938 WeakPolarHBondContact O-CB 3.44Å; Y934-K938 PolarHBondContact O-N 3.35Å; Y934-I947 HydrophobicContact CD2-CD1 4.18Å; Y934-L964 HydrophobicContact CD2-CD1 4.21Å; Y934-L964 HydrophobicContact CD2-CD2 3.7Å; Y934-L964 HydrophobicContact CE2-CD2 4.5Å; Y934-L964 HydrophobicContact CG-CD2 4.03Å; Y934-L969 HydrophobicContact CD1-CB 4.1Å; Y934-L969 HydrophobicContact CD1-CD1 3.89Å; Y934-L969 HydrophobicContact CD1-CD2 3.87Å; Y934-L969 HydrophobicContact CD1-CG 4.16Å; Y934-L969 HydrophobicContact CD2-CB 4.27Å; Y934-L969 HydrophobicContact CE1-CB 3.9Å; Y934-L969 HydrophobicContact CE1-CD1 4.49Å; Y934-L969 HydrophobicContact CE1-CD2 3.83Å; Y934-L969 HydrophobicContact CE1-CG 4.27Å; Y934-L969 HydrophobicContact CE2-CB 4.08Å; Y934-L969 HydrophobicContact CG-CB 4.28Å; Y934-L969 HydrophobicContact CG-CD1 3.95Å; Y934-P970 WeakPolarHBondContact OH-CD 3.25Å; Y934-P970 PolarHBondContact OH-O 3.39Å |
| 935 | N | 85 | Confident | 84.1 | Confident | 90 Ų | 90 | 69.9 Ų | 69.9 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.7 | -29.1 | 178.1 | -79.3 | -59.6 | 0 | 0 | 0 | 113.4 | T931 R932 L933 | T931-N935 PolarHBondContact O-N 2.87Å; T931-N935 PolarHBondContact O-ND2 3.04Å; R932-N935 PolarHBondContact O-N 3.26Å; R932-N935 VanDerWaalsContact O-N 3.14Å; L933-N935 PolarHBondContact O-N 3.37Å |
| 936 | E | 86.2 | Confident | 84.2 | Confident | 123 Ų | 123 | 64.5 Ų | 64.5 | 58% | 0.575 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -78.1 | -42.2 | 176.9 | -170.1 | 169.8 | -172 | 0 | 0 | 112.5 | R932 L933 Y934 | R932-E936 PolarHBondContact O-N 3.24Å; L933-E936 PolarHBondContact O-N 2.9Å; Y934-E936 PolarHBondContact O-N 3.17Å |
| 937 | F | 85.6 | Confident | 84.4 | Confident | 36 Ų | 36 | 63.9 Ų | 63.9 | 16% | 0.158 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -103.6 | 1.3 | -172.7 | -65.2 | -67.8 | 0 | 0 | 0 | 115.9 | L933 Y934 D939 Q940 C943 A946 I947 A950 | L933-F937 HydrophobicContact CB-CD2 4.37Å; L933-F937 HydrophobicContact CD2-CD2 4.48Å; L933-F937 HydrophobicContact CD2-CE2 4.01Å; L933-F937 VanDerWaalsContact O-CD2 3.28Å; L933-F937 WeakPolarHBondContact O-CD2 3.39Å; L933-F937 PolarHBondContact O-N 3.31Å; Y934-F937 PolarHBondContact O-N 3.13Å; F937-D939 PolarHBondContact O-N 3.11Å; F937-Q940 HydrophobicContact CD1-CG 4.28Å; F937-Q940 PolarHBondContact O-N 3.07Å; F937-C943 WeakPolarHBondContact O-CB 3.41Å; F937-A946 HydrophobicContact CB-CB 4Å; F937-A946 HydrophobicContact CD1-CB 3.59Å; F937-A946 HydrophobicContact CD2-CB 4.32Å; F937-A946 HydrophobicContact CE1-CB 4.14Å; F937-A946 HydrophobicContact CG-CB 3.7Å; F937-I947 HydrophobicContact CB-CG1 4.17Å; F937-I947 HydrophobicContact CD2-CG1 4.33Å; F937-A950 HydrophobicContact CE2-CB 3.78Å; F937-A950 HydrophobicContact CZ-CB 4.31Å |
| 938 | K | 82.2 | Confident | 84.4 | Confident | 91 Ų | 91 | 61.8 Ų | 61.8 | 40% | 0.396 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -25.1 | -179.2 | 63.4 | -176.7 | -178.7 | -172.9 | 0 | 115.8 | Y934 | Y934-K938 HydrophobicContact CE1-CB 4.49Å; Y934-K938 HydrophobicContact CE2-CB 4.45Å; Y934-K938 VanDerWaalsContact O-CB 3.25Å; Y934-K938 WeakPolarHBondContact O-CB 3.44Å; Y934-K938 PolarHBondContact O-N 3.35Å |
| 939 | D | 78.2 | Confident | 84.4 | Confident | 113 Ų | 113 | 64.6 Ų | 64.6 | 60% | 0.604 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -3 | -177.5 | -70 | -54.8 | 0 | 0 | 0 | 113.3 | F937 K972 | F937-D939 PolarHBondContact O-N 3.11Å; D939-K972 IonicContact OD1-NZ 3.78Å; D939-K972 PolarHBondContact OD1-NZ 2.89Å |
| 940 | Q | 79 | Confident | 84.2 | Confident | 112 Ų | 112 | 65 Ų | 65 | 52% | 0.523 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -80 | 149.2 | 172.1 | -70.1 | -159.6 | -5.5 | 0 | 0 | 112.9 | F937 D942 C943 | F937-Q940 HydrophobicContact CD1-CG 4.28Å; F937-Q940 PolarHBondContact O-N 3.07Å; Q940-D942 PolarHBondContact O-N 2.68Å; Q940-C943 PolarHBondContact O-N 3.5Å |
| 941 | Q | 71 | Confident | 83.9 | Confident | 189 Ų | 189 | 65.6 Ų | 65.6 | 88% | 0.883 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22.6 | -172.8 | -166.6 | 172.5 | 1.1 | 0 | 0 | 114.3 | ||
| 942 | D | 80.1 | Confident | 83.5 | Confident | 66 Ų | 66 | 67.6 Ų | 67.6 | 35% | 0.353 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.6 | 61 | 170 | -146.8 | -39 | 0 | 0 | 0 | 112.1 | Q940 C944 E945 A946 K957 | Q940-D942 PolarHBondContact O-N 2.68Å; D942-C944 PolarHBondContact O-N 3.27Å; D942-C944 VanDerWaalsContact O-N 3.08Å; D942-E945 HydrophobicContact CB-CB 4.27Å; D942-E945 PolarHBondContact O-N 3.17Å; D942-A946 PolarHBondContact O-N 2.78Å; D942-K957 WeakPolarHBondContact OD1-CE 3.18Å; D942-K957 IonicContact OD1-NZ 2.82Å; D942-K957 PolarHBondContact OD1-NZ 3.38Å; D942-K957 IonicContact OD2-NZ 3.86Å; D942-K957 PolarHBondContact OD2-NZ 3.41Å |
| 943 | C | 82.9 | Confident | 82.6 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 7% | 0.074 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -41.7 | -41.3 | 177.1 | 173.7 | 0 | 0 | 0 | 0 | 114.5 | F937 Q940 E945 I947 L971 | F937-C943 WeakPolarHBondContact O-CB 3.41Å; Q940-C943 PolarHBondContact O-N 3.5Å; C943-E945 VanDerWaalsContact C-N 3.3Å; C943-E945 PolarHBondContact O-N 2.98Å; C943-I947 WeakPolarHBondContact O-CB 3.48Å; C943-I947 WeakPolarHBondContact O-CD1 3.46Å; C943-I947 WeakPolarHBondContact O-CG1 3.18Å; C943-I947 PolarHBondContact O-N 2.9Å; C943-I947 VanDerWaalsContact O-N 3.09Å; C943-I947 VanDerWaalsContact SG-CD1 3.56Å; C943-L971 HydrophobicContact CB-CD2 4.37Å |
| 944 | C | 83.4 | Confident | 81.8 | Confident | 9 Ų | 9 | 66.1 Ų | 66.1 | 6% | 0.061 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68 | -26.9 | 179.6 | -68.4 | 0 | 0 | 0 | 0 | 113.9 | D942 A948 K957 L971 | D942-C944 PolarHBondContact O-N 3.27Å; D942-C944 VanDerWaalsContact O-N 3.08Å; C944-A948 WeakPolarHBondContact O-CB 3.4Å; C944-A948 PolarHBondContact O-N 3.43Å; C944-K957 HydrophobicContact CB-CG 3.88Å; C944-L971 VanDerWaalsContact SG-CD2 3.54Å |
| 945 | E | 83.6 | Confident | 81.4 | Confident | 100 Ų | 100 | 66.3 Ų | 66.3 | 47% | 0.467 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -83.3 | -44.7 | 178.4 | -162.2 | 157.7 | 135.1 | 0 | 0 | 110.8 | D942 C943 I947 A948 T949 K957 | D942-E945 HydrophobicContact CB-CB 4.27Å; D942-E945 PolarHBondContact O-N 3.17Å; C943-E945 VanDerWaalsContact C-N 3.3Å; C943-E945 PolarHBondContact O-N 2.98Å; E945-I947 VanDerWaalsContact C-N 3.3Å; E945-I947 PolarHBondContact O-N 3.27Å; E945-A948 PolarHBondContact O-N 3Å; E945-A948 VanDerWaalsContact O-N 3.08Å; E945-T949 PolarHBondContact O-N 2.93Å; E945-T949 PolarHBondContact O-OG1 2.87Å; E945-T949 VanDerWaalsContact O-OG1 3.09Å; E945-K957 HydrophobicContact CB-CD 4.1Å; E945-K957 HydrophobicContact CG-CD 4.37Å; E945-K957 WeakPolarHBondContact OE2-CD 3.27Å; E945-K957 WeakPolarHBondContact OE2-CE 3.42Å; E945-K957 IonicContact OE2-NZ 2.79Å; E945-K957 PolarHBondContact OE2-NZ 3.04Å |
| 946 | A | 84 | Confident | 81.3 | Confident | 18 Ų | 18 | 65.1 Ų | 65.1 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -56.8 | -42.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F937 D942 T949 A950 | F937-A946 HydrophobicContact CB-CB 4Å; F937-A946 HydrophobicContact CD1-CB 3.59Å; F937-A946 HydrophobicContact CD2-CB 4.32Å; F937-A946 HydrophobicContact CE1-CB 4.14Å; F937-A946 HydrophobicContact CG-CB 3.7Å; D942-A946 PolarHBondContact O-N 2.78Å; A946-T949 PolarHBondContact O-N 2.99Å; A946-A950 VanDerWaalsContact O-CB 3.25Å; A946-A950 WeakPolarHBondContact O-CB 3.36Å; A946-A950 PolarHBondContact O-N 2.97Å |
| 947 | I | 87 | Confident | 81.2 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 174.2 | -67.3 | 166 | 0 | 0 | 0 | 111.6 | L930 L933 Y934 F937 C943 E945 T949 A950 M951 V960 L964 | L930-I947 HydrophobicContact CD1-CG2 3.53Å; L933-I947 HydrophobicContact CB-CG1 4.19Å; L933-I947 HydrophobicContact CB-CG2 4.3Å; Y934-I947 HydrophobicContact CD2-CD1 4.18Å; F937-I947 HydrophobicContact CB-CG1 4.17Å; F937-I947 HydrophobicContact CD2-CG1 4.33Å; C943-I947 WeakPolarHBondContact O-CB 3.48Å; C943-I947 WeakPolarHBondContact O-CD1 3.46Å; C943-I947 WeakPolarHBondContact O-CG1 3.18Å; C943-I947 PolarHBondContact O-N 2.9Å; C943-I947 VanDerWaalsContact O-N 3.09Å; C943-I947 VanDerWaalsContact SG-CD1 3.56Å; E945-I947 VanDerWaalsContact C-N 3.3Å; E945-I947 PolarHBondContact O-N 3.27Å; I947-T949 VanDerWaalsContact C-N 3.29Å; I947-T949 PolarHBondContact O-N 3.28Å; I947-A950 PolarHBondContact O-N 3.3Å; I947-M951 HydrophobicContact CG2-CG 4.23Å; I947-M951 HydrophobicContact CG2-SD 4.21Å; I947-M951 WeakPolarHBondContact O-CG 3.35Å; I947-M951 PolarHBondContact O-N 3.46Å; I947-V960 HydrophobicContact CB-CG1 3.96Å; I947-V960 HydrophobicContact CD1-CG1 4.47Å; I947-V960 HydrophobicContact CG2-CG1 3.54Å; I947-V960 HydrophobicContact CG2-CG2 4.17Å; I947-L964 HydrophobicContact CD1-CD1 4.03Å |
| 948 | A | 85.9 | Confident | 80.9 | Confident | 17 Ų | 17 | 63.2 Ų | 63.2 | 14% | 0.14 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.3 | -36.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C944 E945 R955 V960 | C944-A948 WeakPolarHBondContact O-CB 3.4Å; C944-A948 PolarHBondContact O-N 3.43Å; E945-A948 PolarHBondContact O-N 3Å; E945-A948 VanDerWaalsContact O-N 3.08Å; A948-R955 WeakPolarHBondContact CB-O 3.31Å; A948-V960 HydrophobicContact CB-CG2 4.13Å |
| 949 | T | 85.7 | Confident | 80.9 | Confident | 120 Ų | 120 | 62.4 Ų | 62.4 | 74% | 0.736 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -76.1 | -30.1 | 176.9 | -50.5 | 0 | 0 | 0 | 0 | 112.9 | E945 A946 I947 | E945-T949 PolarHBondContact O-N 2.93Å; E945-T949 PolarHBondContact O-OG1 2.87Å; E945-T949 VanDerWaalsContact O-OG1 3.09Å; A946-T949 PolarHBondContact O-N 2.99Å; I947-T949 VanDerWaalsContact C-N 3.29Å; I947-T949 PolarHBondContact O-N 3.28Å |
| 950 | A | 84.4 | Confident | 81.3 | Confident | 41 Ų | 41 | 57 Ų | 57 | 34% | 0.339 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -91.2 | -8.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | L933 F937 A946 I947 | L933-A950 HydrophobicContact CD1-CB 4.15Å; L933-A950 HydrophobicContact CD2-CB 3.73Å; F937-A950 HydrophobicContact CE2-CB 3.78Å; F937-A950 HydrophobicContact CZ-CB 4.31Å; A946-A950 VanDerWaalsContact O-CB 3.25Å; A946-A950 WeakPolarHBondContact O-CB 3.36Å; A946-A950 PolarHBondContact O-N 2.97Å; I947-A950 PolarHBondContact O-N 3.3Å |
| 951 | M | 83.9 | Confident | 81.6 | Confident | 11 Ų | 11 | 56.4 Ų | 56.4 | 5% | 0.054 | 34% | 0.337 | C | S | . | . | trans | -78 | 131.7 | 177.6 | -87.4 | -174.1 | 66.3 | 0 | 0 | 112.7 | W922 L930 L933 I947 T953 G954 R955 V960 | W922-M951 HydrophobicContact CH2-CE 3.97Å; W922-M951 HydrophobicContact CH2-SD 4.19Å; W922-M951 HydrophobicContact CZ3-CE 3.62Å; W922-M951 HydrophobicContact CZ3-SD 4.21Å; L930-M951 HydrophobicContact CD1-SD 4.23Å; L933-M951 HydrophobicContact CD1-CB 4.23Å; L933-M951 HydrophobicContact CD1-CG 3.5Å; I947-M951 HydrophobicContact CG2-CG 4.23Å; I947-M951 HydrophobicContact CG2-SD 4.21Å; I947-M951 WeakPolarHBondContact O-CG 3.35Å; I947-M951 PolarHBondContact O-N 3.46Å; M951-T953 WeakPolarHBondContact CE-OG1 3.29Å; M951-T953 PolarHBondContact O-N 3.14Å; M951-T953 VanDerWaalsContact O-N 3.09Å; M951-G954 PolarHBondContact O-N 2.68Å; M951-R955 HydrophobicContact CE-CB 4.08Å; M951-R955 HydrophobicContact CE-CG 3.45Å; M951-R955 VanDerWaalsContact CE-CG 3.45Å; M951-R955 HydrophobicContact SD-CB 4.23Å; M951-R955 HydrophobicContact SD-CG 4.25Å; M951-V960 HydrophobicContact SD-CG2 3.91Å | ||
| 952 | S | 76.9 | Confident | 82.1 | Confident | 95 Ų | 95 | 55.9 Ų | 55.9 | 66% | 0.664 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -24 | 177.1 | 68.6 | 0 | 0 | 0 | 0 | 115.3 | E929 | E929-S952 WeakPolarHBondContact OE1-CB 3.34Å; E929-S952 PolarHBondContact OE1-N 3.28Å; E929-S952 PolarHBondContact OE1-OG 3.47Å; E929-S952 WeakPolarHBondContact OE2-CB 3.19Å; E929-S952 PolarHBondContact OE2-N 2.94Å; E929-S952 PolarHBondContact OE2-OG 3.4Å |
| 953 | T | 70.4 | Confident | 82.3 | Confident | 61 Ų | 61 | 53.9 Ų | 53.9 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | 11.1 | -171.9 | 65.2 | 0 | 0 | 0 | 0 | 115.9 | E926 M951 R955 | E926-T953 HydrophobicContact CG-CG2 3.79Å; E926-T953 WeakPolarHBondContact OE1-CB 3.03Å; E926-T953 WeakPolarHBondContact OE1-CG2 3.23Å; E926-T953 PolarHBondContact OE1-OG1 2.98Å; M951-T953 WeakPolarHBondContact CE-OG1 3.29Å; M951-T953 PolarHBondContact O-N 3.14Å; M951-T953 VanDerWaalsContact O-N 3.09Å; T953-R955 PolarHBondContact O-N 2.88Å |
| 954 | G | 73.8 | Confident | 82.5 | Confident | 67 Ų | 67 | 53.3 Ų | 53.3 | 69% | 0.691 | 31% | 0.312 | S | S | * | . | trans | 61.2 | 42.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | M951 | M951-G954 PolarHBondContact O-N 2.68Š| ||
| 955 | R | 80.5 | Confident | 82.5 | Confident | 23 Ų | 23 | 61.4 Ų | 61.4 | 9% | 0.087 | 34% | 0.341 | C | S | . | . | trans | -80.5 | 144 | 178.9 | -57.8 | -58.9 | -168.5 | 140.3 | 3 | 111.3 | R919 Q921 W922 E926 A948 M951 T953 Q959 V960 | R919-R955 PolarHBondContact O-NH1 2.97Å; Q921-R955 PolarHBondContact O-NH2 3.26Å; W922-R955 HydrophobicContact CH2-CB 4.45Å; W922-R955 HydrophobicContact CH2-CG 4.11Å; W922-R955 HydrophobicContact CZ2-CG 4.47Å; E926-R955 IonicContact OE1-CZ 2.6Å; E926-R955 VanDerWaalsContact OE1-CZ 3.23Å; E926-R955 IonicContact OE1-NE 2.68Å; E926-R955 PolarHBondContact OE1-NE 2.89Å; E926-R955 IonicContact OE1-NH2 3.74Å; E926-R955 PolarHBondContact OE1-NH2 2.95Å; E926-R955 IonicContact OE2-CZ 2.63Å; E926-R955 IonicContact OE2-NH2 3.29Å; E926-R955 PolarHBondContact OE2-NH2 3.44Å; A948-R955 WeakPolarHBondContact CB-O 3.31Å; M951-R955 HydrophobicContact CE-CB 4.08Å; M951-R955 HydrophobicContact CE-CG 3.45Å; M951-R955 VanDerWaalsContact CE-CG 3.45Å; M951-R955 HydrophobicContact SD-CB 4.23Å; M951-R955 HydrophobicContact SD-CG 4.25Å; T953-R955 PolarHBondContact O-N 2.88Å; R955-Q959 HydrophobicContact CB-CB 4.39Å; R955-V960 HydrophobicContact CB-CG2 4.25Å | ||
| 956 | S | 82.4 | Confident | 82.5 | Confident | 64 Ų | 64 | 62.6 Ų | 62.6 | 45% | 0.448 | 35% | 0.346 | S | S | . | . | trans | -73.2 | 153.4 | -179.8 | 79.6 | 0 | 0 | 0 | 0 | 112.7 | G958 Q959 V960 | S956-G958 PolarHBondContact O-N 2.61Å; S956-Q959 WeakPolarHBondContact O-CA 3.38Å; S956-Q959 WeakPolarHBondContact O-CB 3.37Å; S956-Q959 PolarHBondContact O-N 3.47Å; S956-Q959 PolarHBondContact OG-N 3.4Å; S956-V960 PolarHBondContact O-N 2.89Å | ||
| 957 | K | 83.6 | Confident | 82.5 | Confident | 74 Ų | 74 | 64.3 Ų | 64.3 | 32% | 0.322 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -47.5 | -35 | 172.9 | -173.7 | 175.7 | -174.1 | 171.1 | 0 | 113.2 | D942 C944 E945 K961 | D942-K957 WeakPolarHBondContact OD1-CE 3.18Å; D942-K957 IonicContact OD1-NZ 2.82Å; D942-K957 PolarHBondContact OD1-NZ 3.38Å; D942-K957 IonicContact OD2-NZ 3.86Å; D942-K957 PolarHBondContact OD2-NZ 3.41Å; C944-K957 HydrophobicContact CB-CG 3.88Å; E945-K957 HydrophobicContact CB-CD 4.1Å; E945-K957 HydrophobicContact CG-CD 4.37Å; E945-K957 WeakPolarHBondContact OE2-CD 3.27Å; E945-K957 WeakPolarHBondContact OE2-CE 3.42Å; E945-K957 IonicContact OE2-NZ 2.79Å; E945-K957 PolarHBondContact OE2-NZ 3.04Å; K957-K961 WeakPolarHBondContact O-CB 3.37Å; K957-K961 PolarHBondContact O-N 2.88Å |
| 958 | G | 79.2 | Confident | 82 | Confident | 45 Ų | 45 | 71.4 Ų | 71.4 | 46% | 0.464 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71.7 | -38.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | S956 R962 | S956-G958 PolarHBondContact O-N 2.61Å; G958-R962 WeakPolarHBondContact O-CB 3.33Å; G958-R962 PolarHBondContact O-N 3.37Å |
| 959 | Q | 82.4 | Confident | 81.7 | Confident | 74 Ų | 74 | 72.4 Ų | 72.4 | 35% | 0.346 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.1 | -46.8 | 174.8 | -71 | 172 | -38 | 0 | 0 | 111.1 | W922 R955 S956 K961 R962 K963 | W922-Q959 HydrophobicContact CZ2-CB 4.43Å; R955-Q959 HydrophobicContact CB-CB 4.39Å; S956-Q959 WeakPolarHBondContact O-CA 3.38Å; S956-Q959 WeakPolarHBondContact O-CB 3.37Å; S956-Q959 PolarHBondContact O-N 3.47Å; S956-Q959 PolarHBondContact OG-N 3.4Å; Q959-K961 PolarHBondContact O-N 3.22Å; Q959-R962 PolarHBondContact O-N 2.93Å; Q959-K963 PolarHBondContact O-N 3.4Å |
| 960 | V | 86.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -54.8 | -53.1 | 173.7 | 170 | 0 | 0 | 0 | 0 | 110.5 | L930 I947 A948 M951 R955 S956 R962 K963 L964 | L930-V960 HydrophobicContact CD1-CG1 4.1Å; I947-V960 HydrophobicContact CB-CG1 3.96Å; I947-V960 HydrophobicContact CD1-CG1 4.47Å; I947-V960 HydrophobicContact CG2-CG1 3.54Å; I947-V960 HydrophobicContact CG2-CG2 4.17Å; A948-V960 HydrophobicContact CB-CG2 4.13Å; M951-V960 HydrophobicContact SD-CG2 3.91Å; R955-V960 HydrophobicContact CB-CG2 4.25Å; S956-V960 PolarHBondContact O-N 2.89Å; V960-R962 VanDerWaalsContact C-N 3.29Å; V960-R962 PolarHBondContact O-N 3.33Å; V960-K963 PolarHBondContact O-N 2.78Å; V960-K963 VanDerWaalsContact O-N 3.11Å; V960-L964 HydrophobicContact CG1-CD1 3.91Å; V960-L964 HydrophobicContact CG1-CG 4.3Å; V960-L964 WeakPolarHBondContact O-CG 3.41Å; V960-L964 PolarHBondContact O-N 3.23Å |
| 961 | K | 85.4 | Confident | 80.1 | Confident | 99 Ų | 99 | 72.4 Ų | 72.4 | 43% | 0.43 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.3 | -34.6 | 178.4 | -174.7 | 176.2 | -178.7 | 179.7 | 0 | 113.4 | K957 Q959 R965 L971 | K957-K961 WeakPolarHBondContact O-CB 3.37Å; K957-K961 PolarHBondContact O-N 2.88Å; Q959-K961 PolarHBondContact O-N 3.22Å; K961-R965 WeakPolarHBondContact O-CG 3.42Å; K961-R965 PolarHBondContact O-N 2.88Å; K961-L971 HydrophobicContact CG-CD1 4.13Å |
| 962 | R | 82.3 | Confident | 78.8 | Confident | 179 Ų | 179 | 79.1 Ų | 79.1 | 68% | 0.675 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -70.6 | -39.5 | 175.3 | -171.9 | -179.1 | -67.6 | 169.1 | -2.3 | 111.5 | G958 Q959 V960 Q966 | G958-R962 WeakPolarHBondContact O-CB 3.33Å; G958-R962 PolarHBondContact O-N 3.37Å; Q959-R962 PolarHBondContact O-N 2.93Å; V960-R962 VanDerWaalsContact C-N 3.29Å; V960-R962 PolarHBondContact O-N 3.33Å; R962-Q966 WeakPolarHBondContact O-CG 3.48Å; R962-Q966 PolarHBondContact O-N 3.12Å |
| 963 | K | 84.5 | Confident | 77.1 | Confident | 23 Ų | 23 | 79 Ų | 79 | 10% | 0.1 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -76.1 | -37.5 | -179.5 | -169.2 | 63.1 | 169.7 | 172.7 | 0 | 113.2 | W922 E927 L930 Q959 V960 R965 Q966 L967 | W922-K963 HydrophobicContact CD2-CB 4.31Å; W922-K963 HydrophobicContact CD2-CD 3.89Å; W922-K963 HydrophobicContact CD2-CG 3.69Å; W922-K963 HydrophobicContact CE3-CG 3.96Å; W922-K963 HydrophobicContact CG-CD 3.93Å; W922-K963 HydrophobicContact CG-CG 4.28Å; W922-K963 HydrophobicContact CH2-CB 3.87Å; W922-K963 HydrophobicContact CH2-CG 4.01Å; W922-K963 HydrophobicContact CZ2-CB 3.39Å; W922-K963 HydrophobicContact CZ2-CD 4.5Å; W922-K963 HydrophobicContact CZ2-CG 3.72Å; W922-K963 HydrophobicContact CZ3-CB 4.47Å; W922-K963 HydrophobicContact CZ3-CG 4.11Å; E927-K963 WeakPolarHBondContact OE1-CE 3.33Å; E927-K963 IonicContact OE1-NZ 3.25Å; E927-K963 PolarHBondContact OE1-NZ 3.06Å; L930-K963 HydrophobicContact CD2-CB 3.81Å; L930-K963 HydrophobicContact CD2-CG 3.39Å; Q959-K963 PolarHBondContact O-N 3.4Å; V960-K963 PolarHBondContact O-N 2.78Å; V960-K963 VanDerWaalsContact O-N 3.11Å; K963-R965 PolarHBondContact O-N 3.02Å; K963-Q966 HydrophobicContact CD-CB 4.28Å; K963-Q966 VanDerWaalsContact CD-OE1 3.32Å; K963-Q966 CarbonylContact O-C 3.59Å; K963-Q966 WeakPolarHBondContact O-CA 3.41Å; K963-Q966 WeakPolarHBondContact O-CB 3.45Å; K963-Q966 PolarHBondContact O-N 3.2Å; K963-L967 HydrophobicContact CG-CD1 4.16Å; K963-L967 HydrophobicContact CG-CG 4.44Å; K963-L967 PolarHBondContact O-N 3.36Å |
| 964 | L | 86.5 | Confident | 75.5 | Confident | 0 Ų | 0 | 84.7 Ų | 84.7 | 0% | 0 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -57.5 | -36.9 | 171.5 | -69.4 | 174.4 | 0 | 0 | 0 | 112 | L930 Y934 I947 V960 Q966 L967 D968 L969 L971 | L930-L964 HydrophobicContact CD1-CD2 3.94Å; L930-L964 HydrophobicContact CD1-CG 4.32Å; L930-L964 HydrophobicContact CD2-CD2 4.37Å; L930-L964 HydrophobicContact CG-CD2 4.08Å; Y934-L964 HydrophobicContact CD2-CD1 4.21Å; Y934-L964 HydrophobicContact CD2-CD2 3.7Å; Y934-L964 HydrophobicContact CE2-CD2 4.5Å; Y934-L964 HydrophobicContact CG-CD2 4.03Å; I947-L964 HydrophobicContact CD1-CD1 4.03Å; V960-L964 HydrophobicContact CG1-CD1 3.91Å; V960-L964 HydrophobicContact CG1-CG 4.3Å; V960-L964 WeakPolarHBondContact O-CG 3.41Å; V960-L964 PolarHBondContact O-N 3.23Å; L964-Q966 VanDerWaalsContact C-N 3.33Å; L964-L967 PolarHBondContact O-N 3.31Å; L964-D968 PolarHBondContact O-N 3.43Å; L964-L969 HydrophobicContact CD2-CB 4.04Å; L964-L969 HydrophobicContact CD2-CD1 3.73Å; L964-L969 PolarHBondContact O-N 2.89Å; L964-L971 HydrophobicContact CD1-CD1 4.37Å; L964-L971 HydrophobicContact CD1-CD2 4.15Å; L964-L971 HydrophobicContact CD1-CG 4.44Å |
| 965 | R | 83 | Confident | 73.4 | Confident | 178 Ų | 178 | 87.9 Ų | 87.9 | 67% | 0.672 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -22.8 | 171.4 | -72.4 | 179.7 | -179.9 | -170.9 | -2.3 | 114.5 | K961 K963 | K961-R965 WeakPolarHBondContact O-CG 3.42Å; K961-R965 PolarHBondContact O-N 2.88Å; K963-R965 PolarHBondContact O-N 3.02Å |
| 966 | Q | 84.9 | Confident | 71.1 | Confident | 125 Ų | 125 | 98.4 Ų | 98.4 | 58% | 0.584 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -16.7 | 175.4 | -73.4 | 177.4 | -23.4 | 0 | 0 | 112.6 | R962 K963 L964 | R962-Q966 WeakPolarHBondContact O-CG 3.48Å; R962-Q966 PolarHBondContact O-N 3.12Å; K963-Q966 HydrophobicContact CD-CB 4.28Å; K963-Q966 VanDerWaalsContact CD-OE1 3.32Å; K963-Q966 CarbonylContact O-C 3.59Å; K963-Q966 WeakPolarHBondContact O-CA 3.41Å; K963-Q966 WeakPolarHBondContact O-CB 3.45Å; K963-Q966 PolarHBondContact O-N 3.2Å; L964-Q966 VanDerWaalsContact C-N 3.33Å |
| 967 | L | 82.6 | Confident | 68.5 | Low | 54 Ų | 54 | 107 Ų | 107 | 28% | 0.283 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 11.3 | 177.6 | -63.5 | 176 | 0 | 0 | 0 | 112.6 | L930 K963 L964 L969 | L930-L967 HydrophobicContact CD2-CD1 3.75Å; K963-L967 HydrophobicContact CG-CD1 4.16Å; K963-L967 HydrophobicContact CG-CG 4.44Å; K963-L967 PolarHBondContact O-N 3.36Å; L964-L967 PolarHBondContact O-N 3.31Å; L967-L969 HydrophobicContact CB-CD1 4.2Å; L967-L969 HydrophobicContact CB-CG 4.21Å; L967-L969 PolarHBondContact O-N 2.66Å |
| 968 | D | 78 | Confident | 65.7 | Low | 149 Ų | 149 | 109 Ų | 109 | 80% | 0.797 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 33.3 | -177.4 | -69.7 | -34.2 | 0 | 0 | 0 | 115.4 | L964 P970 | L964-D968 PolarHBondContact O-N 3.43Å; D968-P970 WeakPolarHBondContact O-CD 3.42Å |
| 969 | L | 78.6 | Confident | 63.5 | Low | 38 Ų | 38 | 112.4 Ų | 112.4 | 20% | 0.199 | 55% | 0.55 | C | S | . | * | trans | -90.4 | 114.7 | 178.4 | -66.3 | 174.9 | 0 | 0 | 0 | 111.3 | Y934 L964 L967 L971 | Y934-L969 HydrophobicContact CD1-CB 4.1Å; Y934-L969 HydrophobicContact CD1-CD1 3.89Å; Y934-L969 HydrophobicContact CD1-CD2 3.87Å; Y934-L969 HydrophobicContact CD1-CG 4.16Å; Y934-L969 HydrophobicContact CD2-CB 4.27Å; Y934-L969 HydrophobicContact CE1-CB 3.9Å; Y934-L969 HydrophobicContact CE1-CD1 4.49Å; Y934-L969 HydrophobicContact CE1-CD2 3.83Å; Y934-L969 HydrophobicContact CE1-CG 4.27Å; Y934-L969 HydrophobicContact CE2-CB 4.08Å; Y934-L969 HydrophobicContact CG-CB 4.28Å; Y934-L969 HydrophobicContact CG-CD1 3.95Å; L964-L969 HydrophobicContact CD2-CB 4.04Å; L964-L969 HydrophobicContact CD2-CD1 3.73Å; L964-L969 PolarHBondContact O-N 2.89Å; L967-L969 HydrophobicContact CB-CD1 4.2Å; L967-L969 HydrophobicContact CB-CG 4.21Å; L967-L969 PolarHBondContact O-N 2.66Å; L969-L971 PolarHBondContact O-N 3.1Å | ||
| 970 | P | 73.3 | Confident | 60.9 | Low | 99 Ų | 99 | 117.9 Ų | 117.9 | 64% | 0.643 | 57% | 0.573 | S | S | * | * | trans | -82 | 107.2 | -163.4 | 30.5 | -37 | 0 | 0 | 0 | 115.7 | Y934 D968 K972 | Y934-P970 WeakPolarHBondContact OH-CD 3.25Å; Y934-P970 PolarHBondContact OH-O 3.39Å; D968-P970 WeakPolarHBondContact O-CD 3.42Å; P970-K972 PolarHBondContact O-N 2.96Å | ||
| 971 | L | 63.6 | Low | 58.4 | Low | 62 Ų | 62 | 129.9 Ų | 129.9 | 33% | 0.325 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -72.9 | 122.4 | 171.5 | -70.7 | 161.6 | 0 | 0 | 0 | 112.3 | C943 C944 K961 L964 L969 A973 | C943-L971 HydrophobicContact CB-CD2 4.37Å; C944-L971 VanDerWaalsContact SG-CD2 3.54Å; K961-L971 HydrophobicContact CG-CD1 4.13Å; L964-L971 HydrophobicContact CD1-CD1 4.37Å; L964-L971 HydrophobicContact CD1-CD2 4.15Å; L964-L971 HydrophobicContact CD1-CG 4.44Å; L969-L971 PolarHBondContact O-N 3.1Å; L971-A973 PolarHBondContact O-N 3.02Å |
| 972 | K | 57.1 | Low | 55.8 | Low | 152 Ų | 152 | 134 Ų | 134 | 66% | 0.661 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 117.4 | 174.7 | -67.9 | 176.5 | -172.5 | 165.7 | 0 | 111 | D939 P970 | D939-K972 IonicContact OD1-NZ 3.78Å; D939-K972 PolarHBondContact OD1-NZ 2.89Å; P970-K972 PolarHBondContact O-N 2.96Å |
| 973 | A | 40.3 | Very low | 53.3 | Low | 93 Ų | 93 | 130.7 Ų | 130.7 | 77% | 0.769 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 136.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L971 V975 | L971-A973 PolarHBondContact O-N 3.02Å; A973-V975 PolarHBondContact O-N 2.95Å; A973-V975 VanDerWaalsContact O-N 3.17Å |
| 974 | K | 37.3 | Very low | 50.8 | Low | 180 Ų | 180 | 134.6 Ų | 134.6 | 78% | 0.783 | 67% | 0.673 | S | S | * | * | trans | -64.6 | 113.9 | 176.5 | -77.6 | -177.3 | 176.3 | 177.1 | 0 | 110.6 | R976 | K974-R976 PolarHBondContact O-N 3.43Å; K974-R976 VanDerWaalsContact O-N 3.14Å | ||
| 975 | V | 28.5 | Very low | 48 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 81% | 0.812 | 71% | 0.706 | S | S | * | * | trans | -63.7 | 109.4 | 167.4 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | A973 R977 | A973-V975 PolarHBondContact O-N 2.95Å; A973-V975 VanDerWaalsContact O-N 3.17Å; V975-R977 PolarHBondContact O-N 3.31Å | ||
| 976 | R | 32.1 | Very low | 45.5 | Very low | 244 Ų | 244 | 139 Ų | 139 | 92% | 0.921 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 120.2 | 170 | -100.1 | -178.5 | 162.3 | 171.6 | -6.7 | 108.8 | K974 | K974-R976 PolarHBondContact O-N 3.43Å; K974-R976 VanDerWaalsContact O-N 3.14Å |
| 977 | R | 27.8 | Very low | 42.7 | Very low | 245 Ų | 245 | 143.1 Ų | 143.1 | 93% | 0.925 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 128 | -179.7 | -68.2 | 172.6 | 170.2 | 158.4 | -5 | 110.4 | V975 | V975-R977 PolarHBondContact O-N 3.31Š|
| 978 | S | 26.5 | Very low | 40.3 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -86 | 125.9 | 159.9 | 56.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 979 | S | 32.3 | Very low | 37.9 | Very low | 118 Ų | 118 | 146 Ų | 146 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | trans | -93.2 | 104.7 | 171.4 | 56.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 980 | K | 28.2 | Very low | 35.4 | Very low | 189 Ų | 189 | 151.8 Ų | 151.8 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -53.3 | 136 | 169.7 | -60.8 | 169.7 | 176 | 178.7 | 0 | 111.1 | ||||
| 981 | R | 33 | Very low | 33.2 | Very low | 251 Ų | 251 | 155.4 Ų | 155.4 | 95% | 0.947 | 78% | 0.778 | S | S | * | * | trans | -133.3 | 154.5 | 135.8 | -75.6 | -161.4 | 168.5 | 170.5 | -2.6 | 109.5 | ||||
| 982 | H | 30.9 | Very low | 31.6 | Very low | 187 Ų | 187 | 158.2 Ų | 158.2 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | -122 | 175.3 | -156.9 | -125.9 | 8 | 0 | 0 | 0 | 110.5 | ||||
| 983 | S | 30.8 | Very low | 30.2 | Very low | 109 Ų | 109 | 157.8 Ų | 157.8 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | 81 | 134.5 | 170.1 | -137.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 984 | S | 30.4 | Very low | 29.6 | Very low | 104 Ų | 104 | 161.7 Ų | 161.7 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | cis | -165.8 | 157 | -13.7 | 31.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 985 | D | 28.5 | Very low | 29.3 | Very low | 132 Ų | 132 | 161.6 Ų | 161.6 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -50.2 | 140.6 | -179.9 | -64.6 | -87.8 | 0 | 0 | 0 | 115.8 | ||||
| 986 | V | 31.3 | Very low | 29.3 | Very low | 138 Ų | 138 | 159.4 Ų | 159.4 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | -138.9 | 129.9 | 117.6 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 987 | R | 25.7 | Very low | 29.2 | Very low | 212 Ų | 212 | 155.6 Ų | 155.6 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | -99.7 | 138.5 | 171.6 | -65.4 | 175.7 | 178.5 | -179.1 | -3.9 | 110.3 | ||||
| 988 | I | 32.3 | Very low | 29.3 | Very low | 163 Ų | 163 | 150.2 Ų | 150.2 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | -134.2 | 123.6 | 149.5 | -57.2 | -178.6 | 0 | 0 | 0 | 107.1 | ||||
| 989 | P | 28 | Very low | 29.5 | Very low | 102 Ų | 102 | 150.5 Ų | 150.5 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | trans | -97.7 | 146.3 | 179.5 | 36.8 | -31.8 | 0 | 0 | 0 | 112.2 | ||||
| 990 | E | 26 | Very low | 29.5 | Very low | 158 Ų | 158 | 153.9 Ų | 153.9 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | 156.7 | 148 | 120.2 | -86.8 | -165.1 | -172.7 | 0 | 0 | 113.9 | |||||
| 991 | Q | 26.5 | Very low | 29.7 | Very low | 175 Ų | 175 | 154.1 Ų | 154.1 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | 65.5 | 85.7 | 159.2 | -64.7 | 165.9 | 52.6 | 0 | 0 | 118.3 | ||||
| 992 | S | 29.5 | Very low | 29.6 | Very low | 122 Ų | 122 | 150 Ų | 150 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -137.8 | 140.2 | 148.5 | 54.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 993 | E | 28.4 | Very low | 29.5 | Very low | 142 Ų | 142 | 148.2 Ų | 148.2 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | trans | -77 | 147.9 | -169.2 | -62.7 | -176.1 | 154.4 | 0 | 0 | 113.1 | Y995 | E993-Y995 HydrophobicContact CB-CE1 4.24Å; E993-Y995 HydrophobicContact CB-CE2 4Å; E993-Y995 WeakPolarHBondContact O-CD2 3.29Å; E993-Y995 PolarHBondContact O-N 2.85Å; E993-Y995 VanDerWaalsContact O-N 3.13Å; E993-Y995 PolarHBondContact OE2-OH 3.47Å | ||
| 994 | H | 28 | Very low | 29.5 | Very low | 175 Ų | 175 | 149.5 Ų | 149.5 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -82 | 89.6 | -172.9 | -165.5 | -50.9 | 0 | 0 | 0 | 112.1 | ||||
| 995 | Y | 30.1 | Very low | 29.4 | Very low | 178 Ų | 178 | 149.8 Ų | 149.8 | 70% | 0.698 | 77% | 0.766 | S | S | * | * | trans | -91.8 | 105.1 | 174.1 | -53.1 | -66.1 | 0 | 0 | 0 | 111.6 | E993 L997 | E993-Y995 HydrophobicContact CB-CE1 4.24Å; E993-Y995 HydrophobicContact CB-CE2 4Å; E993-Y995 WeakPolarHBondContact O-CD2 3.29Å; E993-Y995 PolarHBondContact O-N 2.85Å; E993-Y995 VanDerWaalsContact O-N 3.13Å; E993-Y995 PolarHBondContact OE2-OH 3.47Å; Y995-L997 PolarHBondContact O-N 3.3Å | ||
| 996 | D | 29 | Very low | 29.3 | Very low | 89 Ų | 89 | 148.7 Ų | 148.7 | 48% | 0.476 | 77% | 0.768 | S | S | . | * | trans | -87.2 | 89.2 | -174.5 | -171.7 | 22.1 | 0 | 0 | 0 | 112.1 | N998 | D996-N998 PolarHBondContact OD1-ND2 2.97Š| ||
| 997 | L | 30.5 | Very low | 29.5 | Very low | 163 Ų | 163 | 147.6 Ų | 147.6 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -98.1 | 77.8 | 172.8 | -73.6 | 176.2 | 0 | 0 | 0 | 110.6 | Y995 | Y995-L997 PolarHBondContact O-N 3.3Š| ||
| 998 | N | 29 | Very low | 29.6 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -130.5 | 66.9 | 179.8 | -78.5 | -62.8 | 0 | 0 | 0 | 112.8 | D996 | D996-N998 PolarHBondContact OD1-ND2 2.97Š| ||
| 999 | V | 31.5 | Very low | 29.4 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -158.6 | 129.4 | 146.3 | -162.2 | 0 | 0 | 0 | 0 | 108.1 | ||
| 1000 | F | 31.6 | Very low | 29.6 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 76.9 | 60.1 | 178.6 | -56.8 | -77.2 | 0 | 0 | 0 | 117.9 | ||
| 1001 | E | 32.7 | Very low | 29.7 | Very low | 195 Ų | 195 | 147.1 Ų | 147.1 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | trans | -132.2 | 130.7 | 140.9 | -72.7 | -174.8 | 164.1 | 0 | 0 | 107.8 | ||||
| 1002 | N | 30.8 | Very low | 29.7 | Very low | 164 Ų | 164 | 145.8 Ų | 145.8 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -99.9 | 141.5 | 156.9 | -113.8 | 15.5 | 0 | 0 | 0 | 105.5 | ||||
| 1003 | D | 28.6 | Very low | 29.5 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | -41.6 | 137 | -171.9 | -57.1 | -60.7 | 0 | 0 | 0 | 116 | ||||
| 1004 | I | 30.7 | Very low | 29.4 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 70% | 0.697 | 78% | 0.776 | S | S | * | * | -151.8 | 121.6 | 114.2 | -92.3 | 144.2 | 0 | 0 | 0 | 108.5 | D701 | D701-I1004 HydrophobicContact CB-CD1 4.06Š| |||
| 1005 | S | 29.5 | Very low | 29.3 | Very low | 110 Ų | 110 | 141.6 Ų | 141.6 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -86.2 | 122.7 | -178.1 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1006 | S | 26.7 | Very low | 29.2 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -62.5 | 133 | 165.8 | 52.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1007 | S | 33.9 | Very low | 29.2 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -124 | 119.7 | 161 | 65.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1008 | E | 28.8 | Very low | 29.2 | Very low | 174 Ų | 174 | 138.9 Ų | 138.9 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | trans | -75.4 | 163.3 | 176 | -60.9 | 176.6 | 145.1 | 0 | 0 | 112 | ||||
| 1009 | N | 28.4 | Very low | 29.4 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | 78.5 | 90.3 | 168.2 | -56.4 | -43.5 | 0 | 0 | 0 | 119 | ||||
| 1010 | S | 31.5 | Very low | 29.4 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | -153 | 119.6 | 124.7 | 57.6 | 0 | 0 | 0 | 0 | 111 | |||||
| 1011 | H | 27.8 | Very low | 29.6 | Very low | 184 Ų | 184 | 142 Ų | 142 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | trans | -63.8 | 131.3 | 157.3 | -70.9 | -109.9 | 0 | 0 | 0 | 108.2 | ||||
| 1012 | D | 27.1 | Very low | 29.7 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | -167.1 | 159 | 114.9 | -128.5 | -46.3 | 0 | 0 | 0 | 113.8 | |||||
| 1013 | S | 25.4 | Very low | 30 | Very low | 93 Ų | 93 | 136.7 Ų | 136.7 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | trans | -38.1 | 135.5 | 173.2 | 44.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1014 | T | 26.7 | Very low | 30.3 | Very low | 137 Ų | 137 | 135 Ų | 135 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | 167 | 110.9 | 131.9 | 37.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1015 | S | 25.5 | Very low | 30.9 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | 58.4 | 98.2 | 98.1 | -156.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1016 | S | 28.3 | Very low | 31.6 | Very low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | trans | -121.3 | 98.1 | 175.2 | 57.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1017 | S | 28.8 | Very low | 32.7 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -79.4 | 120.6 | 168.2 | 47.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1018 | E | 30.9 | Very low | 34.1 | Very low | 158 Ų | 158 | 129.4 Ų | 129.4 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | trans | -91.3 | 100.9 | 166 | -66 | -178.1 | 155.8 | 0 | 0 | 107.6 | ||||
| 1019 | E | 32.2 | Very low | 36.2 | Very low | 170 Ų | 170 | 124.8 Ų | 124.8 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | trans | -91.7 | 125.8 | 170.5 | -70.2 | -169.9 | 160.7 | 0 | 0 | 109.7 | ||||
| 1020 | E | 32.3 | Very low | 38.5 | Very low | 188 Ų | 188 | 118.9 Ų | 118.9 | 88% | 0.879 | 68% | 0.679 | S | S | * | * | trans | -83.7 | 111.6 | 173.9 | -63.4 | -175 | 146.8 | 0 | 0 | 109.8 | E1022 | E1020-E1022 PolarHBondContact O-N 3.08Š| ||
| 1021 | D | 34.3 | Very low | 41 | Very low | 149 Ų | 149 | 115.7 Ų | 115.7 | 80% | 0.797 | 66% | 0.655 | S | S | * | * | trans | -67.6 | 95.5 | 172.7 | -71.6 | -51.6 | 0 | 0 | 0 | 110.9 | ||||
| 1022 | E | 35.7 | Very low | 43.4 | Very low | 118 Ų | 118 | 109.2 Ų | 109.2 | 55% | 0.551 | 63% | 0.634 | S | S | * | * | trans | -73.7 | 121.9 | 162.2 | -81.9 | -166.7 | 165.3 | 0 | 0 | 109.3 | E1020 F1024 K1091 | E1020-E1022 PolarHBondContact O-N 3.08Å; E1022-F1024 WeakPolarHBondContact O-CD2 3.45Å; E1022-F1024 PolarHBondContact O-N 3.31Å; E1022-F1024 VanDerWaalsContact O-N 3.11Å; E1022-K1091 VanDerWaalsContact CD-NZ 3.26Å; E1022-K1091 IonicContact OE1-NZ 2.66Å; E1022-K1091 PolarHBondContact OE1-NZ 3.43Å; E1022-K1091 IonicContact OE2-NZ 3.17Å; E1022-K1091 PolarHBondContact OE2-NZ 3.42Å | ||
| 1023 | D | 36.4 | Very low | 46.1 | Very low | 130 Ų | 130 | 102.3 Ų | 102.3 | 70% | 0.695 | 60% | 0.597 | S | S | * | * | trans | -57.5 | 111.2 | -179.4 | -81.2 | -47.1 | 0 | 0 | 0 | 113.1 | ||||
| 1024 | F | 35.9 | Very low | 48.9 | Very low | 115 Ų | 115 | 97.9 Ų | 97.9 | 50% | 0.504 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -81.9 | 119.5 | 176.1 | -93.7 | -101.7 | 0 | 0 | 0 | 112.8 | E1022 R1092 H1095 | E1022-F1024 WeakPolarHBondContact O-CD2 3.45Å; E1022-F1024 PolarHBondContact O-N 3.31Å; E1022-F1024 VanDerWaalsContact O-N 3.11Å; F1024-R1092 HydrophobicContact CE1-CG 3.91Å; F1024-H1095 HydrophobicContact CE1-CB 4.46Å; F1024-H1095 HydrophobicContact CZ-CB 3.93Å; F1024-H1095 AromaticContact CZ-CD2 3.5Å; F1024-H1095 AromaticContact CZ-CG 3.69Å; F1024-H1095 AromaticContact CZ-NE2 4Å |
| 1025 | A | 42.2 | Very low | 51.5 | Low | 48 Ų | 48 | 91.7 Ų | 91.7 | 40% | 0.397 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 161.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 1026 | P | 44.6 | Very low | 54.3 | Low | 114 Ų | 114 | 88.2 Ų | 88.2 | 74% | 0.74 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -56.9 | 148.9 | -165.2 | 21.3 | -33.8 | 0 | 0 | 0 | 114.5 | I1028 | P1026-I1028 PolarHBondContact O-N 3.46Š|
| 1027 | S | 51.1 | Low | 57 | Low | 118 Ų | 118 | 82.8 Ų | 82.8 | 83% | 0.825 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 117.5 | -171 | 39.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1028 | I | 62.4 | Low | 59.7 | Low | 70 Ų | 70 | 81.7 Ų | 81.7 | 36% | 0.359 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -100 | 123.3 | 172.6 | -60.8 | 174.6 | 0 | 0 | 0 | 106.9 | P1026 A1032 L1033 | P1026-I1028 PolarHBondContact O-N 3.46Å; I1028-A1032 HydrophobicContact CG2-CB 3.78Å; I1028-L1033 HydrophobicContact CB-CD1 4.38Å; I1028-L1033 HydrophobicContact CG2-CB 4.28Å; I1028-L1033 HydrophobicContact CG2-CD1 4.2Å |
| 1029 | S | 72.1 | Confident | 62.2 | Low | 77 Ų | 77 | 83 Ų | 83 | 54% | 0.538 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 145.2 | -179.1 | 62.9 | 0 | 0 | 0 | 0 | 112.5 | P1031 A1032 L1033 | S1029-P1031 VanDerWaalsContact C-CD 3.42Å; S1029-P1031 VanDerWaalsContact C-N 3.31Å; S1029-P1031 VanDerWaalsContact O-N 3.15Å; S1029-A1032 WeakPolarHBondContact O-CA 3.27Å; S1029-A1032 WeakPolarHBondContact O-CB 3.35Å; S1029-A1032 PolarHBondContact O-N 3.02Å; S1029-L1033 PolarHBondContact O-N 2.91Å |
| 1030 | L | 78.5 | Confident | 64.6 | Low | 27 Ų | 27 | 77.1 Ų | 77.1 | 14% | 0.141 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -47.1 | -43.9 | -178.4 | -164.3 | 85.2 | 0 | 0 | 0 | 113.7 | A1032 L1033 V1034 L1093 E1096 K1127 A1131 | L1030-A1032 PolarHBondContact O-N 3.31Å; L1030-L1033 PolarHBondContact O-N 3.35Å; L1030-V1034 WeakPolarHBondContact O-CB 3.36Å; L1030-V1034 WeakPolarHBondContact O-CG2 3.38Å; L1030-V1034 PolarHBondContact O-N 3.04Å; L1030-L1093 HydrophobicContact CD1-CD1 3.74Å; L1030-E1096 HydrophobicContact CD1-CB 3.86Å; L1030-K1127 HydrophobicContact CD2-CB 3.96Å; L1030-A1131 HydrophobicContact CD2-CB 4.34Å |
| 1031 | P | 82.1 | Confident | 67.2 | Low | 49 Ų | 49 | 70.6 Ų | 70.6 | 32% | 0.318 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.5 | -34.3 | 177.6 | -20.3 | 34.7 | 0 | 0 | 0 | 113.7 | S1029 G1035 V1134 | S1029-P1031 VanDerWaalsContact C-CD 3.42Å; S1029-P1031 VanDerWaalsContact C-N 3.31Å; S1029-P1031 VanDerWaalsContact O-N 3.15Å; P1031-G1035 PolarHBondContact O-N 3.03Å; P1031-V1134 HydrophobicContact CB-CG1 4.27Å |
| 1032 | A | 79.8 | Confident | 69.7 | Low | 49 Ų | 49 | 64.8 Ų | 64.8 | 41% | 0.405 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -71.6 | -36.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1028 S1029 L1030 S1036 | I1028-A1032 HydrophobicContact CG2-CB 3.78Å; S1029-A1032 WeakPolarHBondContact O-CA 3.27Å; S1029-A1032 WeakPolarHBondContact O-CB 3.35Å; S1029-A1032 PolarHBondContact O-N 3.02Å; L1030-A1032 PolarHBondContact O-N 3.31Å; A1032-S1036 WeakPolarHBondContact O-CB 3.48Å; A1032-S1036 PolarHBondContact O-N 2.71Å |
| 1033 | L | 82.5 | Confident | 72.1 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67 | -48 | 176.2 | -159.4 | 75.7 | 0 | 0 | 0 | 111.6 | I1028 S1029 L1030 S1036 L1037 D1089 R1092 L1093 | I1028-L1033 HydrophobicContact CB-CD1 4.38Å; I1028-L1033 HydrophobicContact CG2-CB 4.28Å; I1028-L1033 HydrophobicContact CG2-CD1 4.2Å; S1029-L1033 PolarHBondContact O-N 2.91Å; L1030-L1033 PolarHBondContact O-N 3.35Å; L1033-S1036 WeakPolarHBondContact O-CB 3.43Å; L1033-S1036 PolarHBondContact O-N 3.37Å; L1033-L1037 WeakPolarHBondContact O-CG 3.45Å; L1033-L1037 PolarHBondContact O-N 3.43Å; L1033-D1089 HydrophobicContact CD1-CB 4.34Å; L1033-R1092 HydrophobicContact CD1-CB 4.21Å; L1033-R1092 HydrophobicContact CD2-CB 3.92Å; L1033-L1093 HydrophobicContact CD2-CB 3.84Å; L1033-L1093 HydrophobicContact CD2-CD1 4.2Å |
| 1034 | V | 85.4 | Confident | 74.6 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.9 | -44.9 | 173.3 | 167.1 | 0 | 0 | 0 | 0 | 110.9 | L1030 S1036 L1037 M1038 I1046 L1093 L1128 A1131 | L1030-V1034 WeakPolarHBondContact O-CB 3.36Å; L1030-V1034 WeakPolarHBondContact O-CG2 3.38Å; L1030-V1034 PolarHBondContact O-N 3.04Å; V1034-S1036 VanDerWaalsContact C-N 3.31Å; V1034-S1036 PolarHBondContact O-N 3.44Å; V1034-L1037 PolarHBondContact O-N 3.25Å; V1034-M1038 HydrophobicContact CG1-CG 4.32Å; V1034-M1038 WeakPolarHBondContact O-CB 3.29Å; V1034-M1038 VanDerWaalsContact O-CG 3.28Å; V1034-M1038 WeakPolarHBondContact O-CG 3.37Å; V1034-M1038 PolarHBondContact O-N 2.96Å; V1034-I1046 HydrophobicContact CG1-CD1 4.02Å; V1034-L1093 HydrophobicContact CG2-CD1 3.95Å; V1034-L1128 HydrophobicContact CG2-CD2 4.42Å; V1034-A1131 HydrophobicContact CB-CB 3.92Å; V1034-A1131 HydrophobicContact CG1-CB 4.05Å; V1034-A1131 HydrophobicContact CG2-CB 3.77Å |
| 1035 | G | 81.2 | Confident | 77.2 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 8% | 0.082 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.7 | -35.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P1031 K1039 | P1031-G1035 PolarHBondContact O-N 3.03Å; G1035-K1039 WeakPolarHBondContact O-CB 3.25Å; G1035-K1039 VanDerWaalsContact O-CG 3.26Å; G1035-K1039 WeakPolarHBondContact O-CG 3.47Å; G1035-K1039 PolarHBondContact O-N 3.24Å |
| 1036 | S | 83.9 | Confident | 79.5 | Confident | 48 Ų | 48 | 52 Ų | 52 | 34% | 0.336 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.9 | -42.5 | 174.5 | -173.8 | 0 | 0 | 0 | 0 | 112.4 | A1032 L1033 V1034 K1039 S1040 | A1032-S1036 WeakPolarHBondContact O-CB 3.48Å; A1032-S1036 PolarHBondContact O-N 2.71Å; L1033-S1036 WeakPolarHBondContact O-CB 3.43Å; L1033-S1036 PolarHBondContact O-N 3.37Å; V1034-S1036 VanDerWaalsContact C-N 3.31Å; V1034-S1036 PolarHBondContact O-N 3.44Å; S1036-K1039 PolarHBondContact O-N 2.97Å; S1036-S1040 VanDerWaalsContact O-CB 3.29Å; S1036-S1040 WeakPolarHBondContact O-CB 3.32Å; S1036-S1040 PolarHBondContact O-N 2.61Å; S1036-S1040 PolarHBondContact O-OG 3.09Å |
| 1037 | L | 85.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 176.7 | -74.6 | 167.7 | 0 | 0 | 0 | 112 | L1033 V1034 S1040 G1041 F1042 I1046 D1089 F1090 L1093 | L1033-L1037 WeakPolarHBondContact O-CG 3.45Å; L1033-L1037 PolarHBondContact O-N 3.43Å; V1034-L1037 PolarHBondContact O-N 3.25Å; L1037-S1040 CarbonylContact O-C 3.56Å; L1037-S1040 PolarHBondContact O-N 2.8Å; L1037-S1040 VanDerWaalsContact O-N 3.17Å; L1037-G1041 PolarHBondContact O-N 3.29Å; L1037-F1042 HydrophobicContact CD2-CB 4.47Å; L1037-F1042 HydrophobicContact CD2-CD2 4.49Å; L1037-F1042 PolarHBondContact O-N 2.69Å; L1037-I1046 HydrophobicContact CB-CD1 3.97Å; L1037-I1046 HydrophobicContact CD1-CD1 4.5Å; L1037-D1089 HydrophobicContact CD2-CB 3.91Å; L1037-D1089 HydrophobicContact CG-CB 4.2Å; L1037-F1090 HydrophobicContact CD1-CD2 3.97Å; L1037-F1090 HydrophobicContact CD2-CB 4.2Å; L1037-F1090 HydrophobicContact CD2-CD2 4.16Å; L1037-L1093 HydrophobicContact CD1-CB 4.3Å; L1037-L1093 HydrophobicContact CD1-CD2 3.87Å |
| 1038 | M | 85.4 | Confident | 83.6 | Confident | 78 Ų | 78 | 46.5 Ų | 46.5 | 38% | 0.384 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60 | -49.8 | 172.9 | -73.1 | -72.5 | -88.6 | 0 | 0 | 111.4 | V1034 S1040 G1041 G1043 I1046 | V1034-M1038 HydrophobicContact CG1-CG 4.32Å; V1034-M1038 WeakPolarHBondContact O-CB 3.29Å; V1034-M1038 VanDerWaalsContact O-CG 3.28Å; V1034-M1038 WeakPolarHBondContact O-CG 3.37Å; V1034-M1038 PolarHBondContact O-N 2.96Å; M1038-S1040 PolarHBondContact O-N 3.29Å; M1038-G1041 PolarHBondContact O-N 3.02Å; M1038-G1043 WeakPolarHBondContact SD-CA 3.45Å; M1038-I1046 HydrophobicContact CG-CD1 4.23Å; M1038-I1046 HydrophobicContact SD-CD1 4.46Å |
| 1039 | K | 83.3 | Confident | 85 | Confident | 186 Ų | 186 | 43.2 Ų | 43.2 | 81% | 0.809 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.6 | -27.2 | 174.5 | -74.3 | 171.6 | -176.6 | 173.6 | 0 | 113.3 | G1035 S1036 G1041 | G1035-K1039 WeakPolarHBondContact O-CB 3.25Å; G1035-K1039 VanDerWaalsContact O-CG 3.26Å; G1035-K1039 WeakPolarHBondContact O-CG 3.47Å; G1035-K1039 PolarHBondContact O-N 3.24Å; S1036-K1039 PolarHBondContact O-N 2.97Å; K1039-G1041 VanDerWaalsContact C-N 3.28Å |
| 1040 | S | 83.1 | Confident | 86 | Confident | 46 Ų | 46 | 40.4 Ų | 40.4 | 32% | 0.322 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 1.3 | 176.2 | -61.7 | 0 | 0 | 0 | 0 | 113.9 | S1036 L1037 M1038 F1042 R1087 | S1036-S1040 VanDerWaalsContact O-CB 3.29Å; S1036-S1040 WeakPolarHBondContact O-CB 3.32Å; S1036-S1040 PolarHBondContact O-N 2.61Å; S1036-S1040 PolarHBondContact O-OG 3.09Å; L1037-S1040 CarbonylContact O-C 3.56Å; L1037-S1040 PolarHBondContact O-N 2.8Å; L1037-S1040 VanDerWaalsContact O-N 3.17Å; M1038-S1040 PolarHBondContact O-N 3.29Å; S1040-F1042 WeakPolarHBondContact O-CD2 3.26Å; S1040-F1042 WeakPolarHBondContact O-CE2 3.44Å; S1040-R1087 PolarHBondContact OG-NH2 3.05Å |
| 1041 | G | 85.9 | Confident | 86.6 | Confident | 51 Ų | 51 | 44.2 Ų | 44.2 | 53% | 0.526 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 18.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | L1037 M1038 K1039 | L1037-G1041 PolarHBondContact O-N 3.29Å; M1038-G1041 PolarHBondContact O-N 3.02Å; K1039-G1041 VanDerWaalsContact C-N 3.28Å |
| 1042 | F | 86.8 | Confident | 87 | Confident | 26 Ų | 26 | 42.9 Ų | 42.9 | 11% | 0.114 | 24% | 0.241 | C | C | . | . | trans | -101.4 | 22.6 | -178.5 | -67.2 | -77.5 | 0 | 0 | 0 | 114.2 | L1037 S1040 E1044 A1045 I1046 I1080 K1083 A1084 | L1037-F1042 HydrophobicContact CD2-CB 4.47Å; L1037-F1042 HydrophobicContact CD2-CD2 4.49Å; L1037-F1042 PolarHBondContact O-N 2.69Å; S1040-F1042 WeakPolarHBondContact O-CD2 3.26Å; S1040-F1042 WeakPolarHBondContact O-CE2 3.44Å; F1042-E1044 PolarHBondContact O-N 2.9Å; F1042-A1045 HydrophobicContact CB-CB 4.39Å; F1042-A1045 WeakPolarHBondContact O-CB 3.43Å; F1042-A1045 PolarHBondContact O-N 3.38Å; F1042-I1046 PolarHBondContact O-N 3.45Å; F1042-I1080 HydrophobicContact CD1-CG1 4.11Å; F1042-I1080 HydrophobicContact CE1-CG1 4.42Å; F1042-K1083 HydrophobicContact CE1-CB 3.8Å; F1042-K1083 HydrophobicContact CZ-CB 4.32Å; F1042-A1084 HydrophobicContact CD1-CB 3.74Å; F1042-A1084 HydrophobicContact CE1-CB 4.21Å; F1042-A1084 HydrophobicContact CG-CB 4.45Å | ||
| 1043 | G | 87.1 | Confident | 87.5 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 16% | 0.155 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.1 | -47 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1038 A1045 I1046 D1047 | M1038-G1043 WeakPolarHBondContact SD-CA 3.45Å; G1043-A1045 PolarHBondContact O-N 2.89Å; G1043-A1045 VanDerWaalsContact O-N 3.14Å; G1043-I1046 WeakPolarHBondContact O-CA 3.45Å; G1043-I1046 WeakPolarHBondContact O-CB 3.39Å; G1043-I1046 PolarHBondContact O-N 3.35Å; G1043-D1047 PolarHBondContact O-N 2.86Å |
| 1044 | E | 88.1 | Confident | 87.9 | Confident | 128 Ų | 128 | 42.6 Ų | 42.6 | 60% | 0.598 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -56.3 | -31.7 | 175.5 | -63 | 173.1 | -179.3 | 0 | 0 | 112.6 | F1042 W1048 I1080 | F1042-E1044 PolarHBondContact O-N 2.9Å; E1044-W1048 WeakPolarHBondContact O-CB 3.36Å; E1044-W1048 PolarHBondContact O-N 3.43Å; E1044-I1080 HydrophobicContact CB-CD1 4.23Å; E1044-I1080 WeakPolarHBondContact OE2-CD1 3.46Å |
| 1045 | A | 89.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -78.4 | -21.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F1042 G1043 L1049 A1084 F1090 | F1042-A1045 HydrophobicContact CB-CB 4.39Å; F1042-A1045 WeakPolarHBondContact O-CB 3.43Å; F1042-A1045 PolarHBondContact O-N 3.38Å; G1043-A1045 PolarHBondContact O-N 2.89Å; G1043-A1045 VanDerWaalsContact O-N 3.14Å; A1045-L1049 PolarHBondContact O-N 3.31Å; A1045-A1084 HydrophobicContact CB-CB 3.51Å; A1045-F1090 HydrophobicContact CB-CE2 4.12Å |
| 1046 | I | 90 | Very high | 88.3 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -79.1 | -42.6 | 170.4 | -59.3 | 179.7 | 0 | 0 | 0 | 109.5 | V1034 L1037 M1038 F1042 G1043 W1048 L1049 I1050 | V1034-I1046 HydrophobicContact CG1-CD1 4.02Å; L1037-I1046 HydrophobicContact CB-CD1 3.97Å; L1037-I1046 HydrophobicContact CD1-CD1 4.5Å; M1038-I1046 HydrophobicContact CG-CD1 4.23Å; M1038-I1046 HydrophobicContact SD-CD1 4.46Å; F1042-I1046 PolarHBondContact O-N 3.45Å; G1043-I1046 WeakPolarHBondContact O-CA 3.45Å; G1043-I1046 WeakPolarHBondContact O-CB 3.39Å; G1043-I1046 PolarHBondContact O-N 3.35Å; I1046-W1048 VanDerWaalsContact C-N 3.31Å; I1046-W1048 PolarHBondContact O-N 3.13Å; I1046-L1049 PolarHBondContact O-N 3.46Å; I1046-L1049 VanDerWaalsContact O-N 3.11Å; I1046-I1050 HydrophobicContact CG2-CD1 4.21Å; I1046-I1050 WeakPolarHBondContact O-CG1 3.47Å; I1046-I1050 PolarHBondContact O-N 3.49Å |
| 1047 | D | 90.4 | Very high | 88.4 | Confident | 101 Ų | 101 | 45.6 Ų | 45.6 | 54% | 0.54 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60 | -41.2 | 173.6 | -70 | -35.1 | 0 | 0 | 0 | 111.5 | G1043 I1050 Q1051 | G1043-D1047 PolarHBondContact O-N 2.86Å; D1047-I1050 PolarHBondContact O-N 3.09Å; D1047-Q1051 WeakPolarHBondContact O-CB 3.34Å; D1047-Q1051 PolarHBondContact O-N 3.49Å |
| 1048 | W | 93.4 | Very high | 88.5 | Confident | 15 Ų | 15 | 51.8 Ų | 51.8 | 6% | 0.057 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 170.6 | 164.2 | 64.9 | 0 | 0 | 0 | 113 | E1044 I1046 I1050 Q1051 V1052 V1074 V1075 P1076 H1081 V1085 F1090 | E1044-W1048 WeakPolarHBondContact O-CB 3.36Å; E1044-W1048 PolarHBondContact O-N 3.43Å; I1046-W1048 VanDerWaalsContact C-N 3.31Å; I1046-W1048 PolarHBondContact O-N 3.13Å; W1048-I1050 VanDerWaalsContact C-N 3.33Å; W1048-I1050 PolarHBondContact O-N 3.26Å; W1048-Q1051 WeakPolarHBondContact O-CB 3.31Å; W1048-Q1051 PolarHBondContact O-N 2.84Å; W1048-V1052 HydrophobicContact CZ2-CG2 4.34Å; W1048-V1052 WeakPolarHBondContact O-CG2 3.34Å; W1048-V1052 PolarHBondContact O-N 2.98Å; W1048-V1074 HydrophobicContact CH2-CG1 3.6Å; W1048-V1074 HydrophobicContact CZ2-CG1 3.86Å; W1048-V1074 HydrophobicContact CZ3-CG1 4.46Å; W1048-V1075 WeakPolarHBondContact CZ2-O 3.46Å; W1048-P1076 HydrophobicContact CH2-CB 4.06Å; W1048-P1076 HydrophobicContact CZ2-CB 4.37Å; W1048-H1081 WeakPolarHBondContact CB-NE2 3.46Å; W1048-H1081 AromaticContact CD1-CE1 3.4Å; W1048-H1081 VanDerWaalsContact CD1-CE1 3.4Å; W1048-H1081 AromaticContact CD1-ND1 3.61Å; W1048-H1081 AromaticContact CD1-NE2 3.98Å; W1048-H1081 HydrophobicContact CD2-CB 4.08Å; W1048-H1081 AromaticContact CD2-CD2 3.74Å; W1048-H1081 AromaticContact CD2-CE1 3.85Å; W1048-H1081 AromaticContact CD2-CG 3.51Å; W1048-H1081 AromaticContact CD2-ND1 3.55Å; W1048-H1081 AromaticContact CD2-NE2 3.98Å; W1048-H1081 AromaticContact CE2-CG 3.94Å; W1048-H1081 AromaticContact CE2-ND1 3.67Å; W1048-H1081 HydrophobicContact CE3-CB 3.86Å; W1048-H1081 AromaticContact CE3-CD2 3.84Å; W1048-H1081 AromaticContact CE3-CG 3.7Å; W1048-H1081 AromaticContact CG-CD2 3.71Å; W1048-H1081 AromaticContact CG-CE1 3.32Å; W1048-H1081 AromaticContact CG-CG 3.82Å; W1048-H1081 AromaticContact CG-ND1 3.54Å; W1048-H1081 AromaticContact CG-NE2 3.45Å; W1048-H1081 HydrophobicContact CH2-CB 4.17Å; W1048-H1081 HydrophobicContact CZ2-CB 4.38Å; W1048-H1081 HydrophobicContact CZ3-CB 3.91Å; W1048-H1081 AromaticContact NE1-CE1 3.94Å; W1048-H1081 AromaticContact NE1-ND1 3.66Å; W1048-V1085 HydrophobicContact CH2-CG2 4.17Å; W1048-V1085 HydrophobicContact CZ3-CG2 4.05Å; W1048-F1090 HydrophobicContact CE3-CZ 4.48Å; W1048-F1090 HydrophobicContact CZ3-CE1 4.31Å; W1048-F1090 HydrophobicContact CZ3-CZ 4.17Å |
| 1049 | L | 91.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 178.1 | -175.1 | 62.8 | 0 | 0 | 0 | 111.3 | A1045 I1046 Q1051 V1052 I1053 V1074 F1090 L1093 L1094 L1097 F1099 L1128 | A1045-L1049 PolarHBondContact O-N 3.31Å; I1046-L1049 PolarHBondContact O-N 3.46Å; I1046-L1049 VanDerWaalsContact O-N 3.11Å; L1049-Q1051 VanDerWaalsContact C-N 3.33Å; L1049-V1052 PolarHBondContact O-N 3.12Å; L1049-I1053 HydrophobicContact CG-CD1 4.29Å; L1049-I1053 VanDerWaalsContact O-CG1 3.3Å; L1049-I1053 WeakPolarHBondContact O-CG1 3.44Å; L1049-I1053 PolarHBondContact O-N 2.91Å; L1049-I1053 VanDerWaalsContact O-N 3.09Å; L1049-V1074 HydrophobicContact CD1-CG1 4.24Å; L1049-F1090 HydrophobicContact CD2-CZ 4.23Å; L1049-L1093 HydrophobicContact CD2-CD2 4.09Å; L1049-L1094 HydrophobicContact CD1-CD2 3.87Å; L1049-L1094 HydrophobicContact CD2-CD2 3.9Å; L1049-L1097 HydrophobicContact CD2-CD1 3.76Å; L1049-F1099 HydrophobicContact CD1-CE2 3.97Å; L1049-L1128 HydrophobicContact CD2-CD1 4.35Å; L1049-L1128 HydrophobicContact CG-CD1 4.5Å |
| 1050 | I | 92 | Very high | 87.9 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 9% | 0.092 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62 | -41.3 | 172.7 | -67.9 | 167.8 | 0 | 0 | 0 | 110.7 | I1046 D1047 W1048 I1053 T1054 V1125 L1128 K1129 | I1046-I1050 HydrophobicContact CG2-CD1 4.21Å; I1046-I1050 WeakPolarHBondContact O-CG1 3.47Å; I1046-I1050 PolarHBondContact O-N 3.49Å; D1047-I1050 PolarHBondContact O-N 3.09Å; W1048-I1050 VanDerWaalsContact C-N 3.33Å; W1048-I1050 PolarHBondContact O-N 3.26Å; I1050-I1053 PolarHBondContact O-N 3.29Å; I1050-T1054 WeakPolarHBondContact O-CB 3.41Å; I1050-T1054 PolarHBondContact O-N 2.8Å; I1050-T1054 PolarHBondContact O-OG1 2.9Å; I1050-V1125 HydrophobicContact CG2-CG1 4.21Å; I1050-L1128 HydrophobicContact CD1-CB 4.05Å; I1050-L1128 HydrophobicContact CG1-CB 3.96Å; I1050-L1128 HydrophobicContact CG1-CD1 3.94Å; I1050-K1129 HydrophobicContact CD1-CG 4.29Å |
| 1051 | Q | 92 | Very high | 87.5 | Confident | 108 Ų | 108 | 45.7 Ų | 45.7 | 51% | 0.505 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -47.7 | 176.6 | -176.9 | 177.8 | -14.6 | 0 | 0 | 111.6 | D1047 W1048 L1049 I1053 T1054 E1055 | D1047-Q1051 WeakPolarHBondContact O-CB 3.34Å; D1047-Q1051 PolarHBondContact O-N 3.49Å; W1048-Q1051 WeakPolarHBondContact O-CB 3.31Å; W1048-Q1051 PolarHBondContact O-N 2.84Å; L1049-Q1051 VanDerWaalsContact C-N 3.33Å; Q1051-I1053 VanDerWaalsContact C-N 3.32Å; Q1051-I1053 PolarHBondContact O-N 3.2Å; Q1051-T1054 PolarHBondContact O-N 3.49Å; Q1051-E1055 HydrophobicContact CG-CG 4.3Å; Q1051-E1055 WeakPolarHBondContact CG-OE1 3.15Å; Q1051-E1055 PolarHBondContact NE2-OE1 3.47Å; Q1051-E1055 WeakPolarHBondContact O-CG 3.42Å; Q1051-E1055 PolarHBondContact O-N 3.21Å |
| 1052 | V | 90.5 | Very high | 86.8 | Confident | 20 Ų | 20 | 47.1 Ų | 47.1 | 12% | 0.121 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.7 | -41.9 | 177.1 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | W1048 L1049 T1054 T1056 V1074 I1112 | W1048-V1052 HydrophobicContact CZ2-CG2 4.34Å; W1048-V1052 WeakPolarHBondContact O-CG2 3.34Å; W1048-V1052 PolarHBondContact O-N 2.98Å; L1049-V1052 PolarHBondContact O-N 3.12Å; V1052-T1054 VanDerWaalsContact C-N 3.33Å; V1052-T1056 WeakPolarHBondContact O-CG2 3.42Å; V1052-T1056 PolarHBondContact O-N 3.29Å; V1052-T1056 VanDerWaalsContact O-N 3.13Å; V1052-T1056 PolarHBondContact O-OG1 3.11Å; V1052-V1074 HydrophobicContact CG1-CG2 4.49Å; V1052-I1112 HydrophobicContact CG1-CD1 4.45Å |
| 1053 | I | 90.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.3 | -34.8 | 176.1 | -59.2 | 164.3 | 0 | 0 | 0 | 111.1 | L1049 I1050 Q1051 T1056 I1057 F1099 I1112 L1121 V1125 L1128 | L1049-I1053 HydrophobicContact CG-CD1 4.29Å; L1049-I1053 VanDerWaalsContact O-CG1 3.3Å; L1049-I1053 WeakPolarHBondContact O-CG1 3.44Å; L1049-I1053 PolarHBondContact O-N 2.91Å; L1049-I1053 VanDerWaalsContact O-N 3.09Å; I1050-I1053 PolarHBondContact O-N 3.29Å; Q1051-I1053 VanDerWaalsContact C-N 3.32Å; Q1051-I1053 PolarHBondContact O-N 3.2Å; I1053-T1056 WeakPolarHBondContact CA-OG1 3.44Å; I1053-T1056 PolarHBondContact O-OG1 2.89Å; I1053-I1057 HydrophobicContact CG2-CD1 4.14Å; I1053-I1057 WeakPolarHBondContact O-CD1 3.46Å; I1053-I1057 VanDerWaalsContact O-CG1 3.27Å; I1053-I1057 WeakPolarHBondContact O-CG1 3.49Å; I1053-I1057 PolarHBondContact O-N 2.76Å; I1053-I1057 VanDerWaalsContact O-N 3.14Å; I1053-F1099 HydrophobicContact CD1-CZ 3.86Å; I1053-F1099 HydrophobicContact CG1-CZ 3.94Å; I1053-I1112 HydrophobicContact CG1-CD1 4.49Å; I1053-L1121 HydrophobicContact CG2-CB 3.87Å; I1053-L1121 HydrophobicContact CG2-CD2 4.03Å; I1053-L1121 HydrophobicContact CG2-CG 4.44Å; I1053-V1125 HydrophobicContact CB-CG2 3.83Å; I1053-V1125 HydrophobicContact CG2-CG2 3.46Å; I1053-V1125 VanDerWaalsContact CG2-CG2 3.46Å; I1053-L1128 HydrophobicContact CD1-CD1 3.98Å |
| 1054 | T | 90.5 | Very high | 84.6 | Confident | 45 Ų | 45 | 61 Ų | 61 | 28% | 0.276 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.9 | -43.6 | 178.1 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | I1050 Q1051 V1052 T1056 I1057 E1058 | I1050-T1054 WeakPolarHBondContact O-CB 3.41Å; I1050-T1054 PolarHBondContact O-N 2.8Å; I1050-T1054 PolarHBondContact O-OG1 2.9Å; Q1051-T1054 PolarHBondContact O-N 3.49Å; V1052-T1054 VanDerWaalsContact C-N 3.33Å; T1054-T1056 VanDerWaalsContact C-N 3.32Å; T1054-T1056 PolarHBondContact O-N 3.43Å; T1054-I1057 WeakPolarHBondContact O-CB 3.45Å; T1054-I1057 PolarHBondContact O-N 2.99Å; T1054-E1058 PolarHBondContact O-N 3.19Å |
| 1055 | E | 89.2 | Confident | 83.4 | Confident | 91 Ų | 91 | 58 Ų | 58 | 43% | 0.425 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 175.1 | -72.4 | 174 | -179.2 | 0 | 0 | 111.2 | Q1051 I1057 E1058 D1059 | Q1051-E1055 HydrophobicContact CG-CG 4.3Å; Q1051-E1055 WeakPolarHBondContact CG-OE1 3.15Å; Q1051-E1055 PolarHBondContact NE2-OE1 3.47Å; Q1051-E1055 WeakPolarHBondContact O-CG 3.42Å; Q1051-E1055 PolarHBondContact O-N 3.21Å; E1055-I1057 VanDerWaalsContact C-N 3.33Å; E1055-I1057 PolarHBondContact O-N 2.95Å; E1055-E1058 PolarHBondContact O-N 3.44Å; E1055-D1059 PolarHBondContact O-N 2.82Å |
| 1056 | T | 85.9 | Confident | 82.2 | Confident | 8 Ų | 8 | 62.3 Ų | 62.3 | 5% | 0.049 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.5 | -26 | 177 | 51.5 | 0 | 0 | 0 | 0 | 114.4 | V1052 I1053 T1054 N1060 I1072 I1112 | V1052-T1056 WeakPolarHBondContact O-CG2 3.42Å; V1052-T1056 PolarHBondContact O-N 3.29Å; V1052-T1056 VanDerWaalsContact O-N 3.13Å; V1052-T1056 PolarHBondContact O-OG1 3.11Å; I1053-T1056 WeakPolarHBondContact CA-OG1 3.44Å; I1053-T1056 PolarHBondContact O-OG1 2.89Å; T1054-T1056 VanDerWaalsContact C-N 3.32Å; T1054-T1056 PolarHBondContact O-N 3.43Å; T1056-N1060 PolarHBondContact O-N 3.39Å; T1056-N1060 PolarHBondContact O-ND2 2.96Å; T1056-I1072 HydrophobicContact CG2-CB 4.34Å; T1056-I1072 HydrophobicContact CG2-CD1 3.51Å; T1056-I1072 HydrophobicContact CG2-CG2 3.82Å; T1056-I1112 HydrophobicContact CG2-CD1 4.2Å |
| 1057 | I | 86.2 | Confident | 81 | Confident | 21 Ų | 21 | 68.5 Ų | 68.5 | 11% | 0.108 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.8 | -44.8 | 168.1 | -71.3 | 160.3 | 0 | 0 | 0 | 110.6 | I1053 T1054 E1055 N1060 A1061 V1118 L1121 Q1122 V1125 | I1053-I1057 HydrophobicContact CG2-CD1 4.14Å; I1053-I1057 WeakPolarHBondContact O-CD1 3.46Å; I1053-I1057 VanDerWaalsContact O-CG1 3.27Å; I1053-I1057 WeakPolarHBondContact O-CG1 3.49Å; I1053-I1057 PolarHBondContact O-N 2.76Å; I1053-I1057 VanDerWaalsContact O-N 3.14Å; T1054-I1057 WeakPolarHBondContact O-CB 3.45Å; T1054-I1057 PolarHBondContact O-N 2.99Å; E1055-I1057 VanDerWaalsContact C-N 3.33Å; E1055-I1057 PolarHBondContact O-N 2.95Å; I1057-N1060 PolarHBondContact O-N 2.94Å; I1057-A1061 WeakPolarHBondContact O-CB 3.3Å; I1057-A1061 PolarHBondContact O-N 2.9Å; I1057-V1118 HydrophobicContact CG2-CG1 4.03Å; I1057-L1121 HydrophobicContact CD1-CB 3.81Å; I1057-L1121 HydrophobicContact CG1-CB 3.67Å; I1057-L1121 HydrophobicContact CG1-CD1 3.99Å; I1057-Q1122 HydrophobicContact CD1-CG 3.79Å; I1057-V1125 HydrophobicContact CD1-CG2 4.34Å |
| 1058 | E | 85.8 | Confident | 80 | Confident | 130 Ų | 130 | 64.5 Ų | 64.5 | 61% | 0.607 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.4 | -42.5 | -179.7 | -71.1 | -175.9 | -174.5 | 0 | 0 | 112.1 | T1054 E1055 N1060 A1061 A1062 | T1054-E1058 PolarHBondContact O-N 3.19Å; E1055-E1058 PolarHBondContact O-N 3.44Å; E1058-N1060 PolarHBondContact O-N 3.35Å; E1058-A1061 PolarHBondContact O-N 3.45Å; E1058-A1062 PolarHBondContact O-N 2.99Å; E1058-A1062 VanDerWaalsContact O-N 3.11Å |
| 1059 | D | 81.5 | Confident | 78.7 | Confident | 102 Ų | 102 | 66.6 Ų | 66.6 | 55% | 0.545 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 176.2 | -82.1 | -20.1 | 0 | 0 | 0 | 112.5 | E1055 A1062 Q1063 | E1055-D1059 PolarHBondContact O-N 2.82Å; D1059-A1062 PolarHBondContact O-N 3.46Å; D1059-Q1063 WeakPolarHBondContact O-CG 3.43Å; D1059-Q1063 PolarHBondContact O-N 2.93Å |
| 1060 | N | 76 | Confident | 78.1 | Confident | 6 Ų | 6 | 74.4 Ų | 74.4 | 3% | 0.032 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.9 | -39.4 | 173.5 | -98.9 | -82.5 | 0 | 0 | 0 | 112.5 | T1056 I1057 E1058 A1062 Q1063 K1064 T1065 E1067 V1118 | T1056-N1060 PolarHBondContact O-N 3.39Å; T1056-N1060 PolarHBondContact O-ND2 2.96Å; I1057-N1060 PolarHBondContact O-N 2.94Å; E1058-N1060 PolarHBondContact O-N 3.35Å; N1060-A1062 PolarHBondContact O-N 2.93Å; N1060-Q1063 PolarHBondContact O-N 2.94Å; N1060-K1064 PolarHBondContact O-N 3.06Å; N1060-K1064 VanDerWaalsContact O-N 3.14Å; N1060-T1065 PolarHBondContact OD1-OG1 3.28Å; N1060-T1065 VanDerWaalsContact OD1-OG1 3.04Å; N1060-E1067 PolarHBondContact OD1-O 2.97Å; N1060-V1118 HydrophobicContact CB-CG2 4.1Å |
| 1061 | A | 73.4 | Confident | 77.7 | Confident | 73 Ų | 73 | 74.3 Ų | 74.3 | 60% | 0.603 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.1 | -32 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1057 E1058 | I1057-A1061 WeakPolarHBondContact O-CB 3.3Å; I1057-A1061 PolarHBondContact O-N 2.9Å; E1058-A1061 PolarHBondContact O-N 3.45Å |
| 1062 | A | 71.9 | Confident | 77.4 | Confident | 82 Ų | 82 | 71.5 Ų | 71.5 | 68% | 0.678 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -69.1 | -33.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1058 D1059 N1060 | E1058-A1062 PolarHBondContact O-N 2.99Å; E1058-A1062 VanDerWaalsContact O-N 3.11Å; D1059-A1062 PolarHBondContact O-N 3.46Å; N1060-A1062 PolarHBondContact O-N 2.93Å |
| 1063 | Q | 65.7 | Low | 77.3 | Confident | 137 Ų | 137 | 73 Ų | 73 | 64% | 0.64 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -87.7 | -13.4 | -175.8 | -64.8 | -173.4 | 32.8 | 0 | 0 | 114.4 | D1059 N1060 T1065 | D1059-Q1063 WeakPolarHBondContact O-CG 3.43Å; D1059-Q1063 PolarHBondContact O-N 2.93Å; N1060-Q1063 PolarHBondContact O-N 2.94Å; Q1063-T1065 PolarHBondContact O-N 3.04Å |
| 1064 | K | 62.9 | Low | 77.3 | Confident | 194 Ų | 194 | 73.2 Ų | 73.2 | 84% | 0.843 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 23.3 | -177.8 | -58.4 | -178.9 | 176.5 | 177.1 | 0 | 114.7 | N1060 | N1060-K1064 PolarHBondContact O-N 3.06Å; N1060-K1064 VanDerWaalsContact O-N 3.14Å |
| 1065 | T | 62.3 | Low | 77.2 | Confident | 65 Ų | 65 | 73.9 Ų | 73.9 | 40% | 0.399 | 42% | 0.417 | S | S | . | . | trans | -89 | 142.3 | 171.2 | 42.6 | 0 | 0 | 0 | 0 | 110 | N1060 Q1063 E1067 | N1060-T1065 PolarHBondContact OD1-OG1 3.28Å; N1060-T1065 VanDerWaalsContact OD1-OG1 3.04Å; Q1063-T1065 PolarHBondContact O-N 3.04Å; T1065-E1067 VanDerWaalsContact C-N 3.35Å; T1065-E1067 WeakPolarHBondContact CB-O 3.05Å; T1065-E1067 PolarHBondContact OG1-O 3.44Å | ||
| 1066 | S | 64.8 | Low | 77.1 | Confident | 91 Ų | 91 | 70.7 Ų | 70.7 | 64% | 0.636 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -85.6 | -11.7 | 175.7 | 42.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1067 | E | 64.5 | Low | 77.1 | Confident | 132 Ų | 132 | 77 Ų | 77 | 62% | 0.617 | 44% | 0.436 | S | S | * | . | B | Isolated β-bridge | trans | -128.8 | 147.4 | -176.6 | -66.4 | 165.3 | -167.5 | 0 | 0 | 107.9 | N1060 T1065 G1069 | N1060-E1067 PolarHBondContact OD1-O 2.97Å; T1065-E1067 VanDerWaalsContact C-N 3.35Å; T1065-E1067 WeakPolarHBondContact CB-O 3.05Å; T1065-E1067 PolarHBondContact OG1-O 3.44Å; E1067-G1069 VanDerWaalsContact C-N 3.26Å; E1067-G1069 PolarHBondContact O-N 3.12Å |
| 1068 | I | 69 | Low | 77.2 | Confident | 16 Ų | 16 | 81.3 Ų | 81.3 | 8% | 0.082 | 46% | 0.456 | C | S | . | . | trans | -70.8 | -23.8 | -172.7 | -60 | 162.1 | 0 | 0 | 0 | 111.9 | E1070 I1072 I1112 F1116 L1121 | I1068-E1070 WeakPolarHBondContact CG2-O 3.29Å; I1068-E1070 PolarHBondContact O-N 3.23Å; I1068-I1072 HydrophobicContact CG2-CD1 3.49Å; I1068-I1072 VanDerWaalsContact CG2-CD1 3.49Å; I1068-I1072 HydrophobicContact CG2-CG1 3.75Å; I1068-I1112 HydrophobicContact CD1-CG2 3.94Å; I1068-F1116 HydrophobicContact CD1-CB 3.55Å; I1068-F1116 VanDerWaalsContact CD1-O 3.26Å; I1068-F1116 WeakPolarHBondContact CD1-O 3.33Å; I1068-F1116 VanDerWaalsContact CG1-O 3.3Å; I1068-F1116 WeakPolarHBondContact CG1-O 3.33Å; I1068-L1121 HydrophobicContact CD1-CD1 3.74Å; I1068-L1121 HydrophobicContact CD1-CD2 4.46Å; I1068-L1121 HydrophobicContact CD1-CG 4.29Å; I1068-L1121 HydrophobicContact CG1-CD1 4.32Å | ||
| 1069 | G | 66.3 | Low | 77.2 | Confident | 60 Ų | 60 | 81.5 Ų | 81.5 | 62% | 0.619 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 79.4 | -34.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | E1067 | E1067-G1069 VanDerWaalsContact C-N 3.26Å; E1067-G1069 PolarHBondContact O-N 3.12Å |
| 1070 | E | 80 | Confident | 77.5 | Confident | 163 Ų | 163 | 78.4 Ų | 78.4 | 76% | 0.762 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -140.8 | 144 | 172.9 | -65.3 | -173.2 | 177.2 | 0 | 0 | 110.7 | I1068 I1072 | I1068-E1070 WeakPolarHBondContact CG2-O 3.29Å; I1068-E1070 PolarHBondContact O-N 3.23Å; E1070-I1072 PolarHBondContact O-N 3.42Å |
| 1071 | A | 83.4 | Confident | 78.2 | Confident | 17 Ų | 17 | 78.8 Ų | 78.8 | 14% | 0.14 | 44% | 0.441 | C | S | . | . | trans | -72.9 | 113.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | W1100 R1111 I1112 D1114 | A1071-W1100 HydrophobicContact CB-CE3 3.95Å; A1071-W1100 HydrophobicContact CB-CZ3 3.59Å; A1071-R1111 HydrophobicContact CB-CB 4.24Å; A1071-R1111 PolarHBondContact O-NH1 3.05Å; A1071-I1112 CarbonylContact C-O 3.59Å; A1071-I1112 VanDerWaalsContact CA-O 3.23Å; A1071-I1112 WeakPolarHBondContact CA-O 2.94Å; A1071-I1112 WeakPolarHBondContact CB-O 3.41Å; A1071-D1114 HydrophobicContact CB-CB 4.44Å | ||
| 1072 | I | 85.8 | Confident | 78.9 | Confident | 48 Ų | 48 | 77.4 Ų | 77.4 | 25% | 0.246 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 128 | -169.2 | -58.2 | -179.3 | 0 | 0 | 0 | 111.6 | T1056 I1068 E1070 R1111 I1112 | T1056-I1072 HydrophobicContact CG2-CB 4.34Å; T1056-I1072 HydrophobicContact CG2-CD1 3.51Å; T1056-I1072 HydrophobicContact CG2-CG2 3.82Å; I1068-I1072 HydrophobicContact CG2-CD1 3.49Å; I1068-I1072 VanDerWaalsContact CG2-CD1 3.49Å; I1068-I1072 HydrophobicContact CG2-CG1 3.75Å; E1070-I1072 PolarHBondContact O-N 3.42Å; I1072-R1111 CarbonylContact O-C 3.57Å; I1072-R1111 VanDerWaalsContact O-CA 3.26Å; I1072-R1111 WeakPolarHBondContact O-CA 3.37Å; I1072-I1112 HydrophobicContact CB-CB 4.47Å; I1072-I1112 PolarHBondContact N-O 3.1Å; I1072-I1112 VanDerWaalsContact N-O 3.08Å; I1072-I1112 PolarHBondContact O-N 3.31Å |
| 1073 | P | 88 | Confident | 79.6 | Confident | 53 Ų | 53 | 78.3 Ų | 78.3 | 34% | 0.344 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 129.7 | -178.2 | 32 | -33.2 | 0 | 0 | 0 | 113.3 | V1075 W1110 R1111 | P1073-V1075 HydrophobicContact CB-CG2 4.15Å; P1073-V1075 HydrophobicContact CG-CG2 4.34Å; P1073-V1075 PolarHBondContact O-N 3.21Å; P1073-W1110 CarbonylContact C-O 3.59Å; P1073-W1110 WeakPolarHBondContact CA-O 3.06Å; P1073-R1111 HydrophobicContact CB-CG 4.44Å |
| 1074 | V | 89.2 | Confident | 80.7 | Confident | 4 Ų | 4 | 71.8 Ų | 71.8 | 2% | 0.024 | 39% | 0.385 | C | S | . | . | trans | -84.2 | 91.1 | 174.4 | -176.2 | 0 | 0 | 0 | 0 | 109 | W1048 L1049 V1052 P1076 F1099 W1110 I1112 | W1048-V1074 HydrophobicContact CH2-CG1 3.6Å; W1048-V1074 HydrophobicContact CZ2-CG1 3.86Å; W1048-V1074 HydrophobicContact CZ3-CG1 4.46Å; L1049-V1074 HydrophobicContact CD1-CG1 4.24Å; V1052-V1074 HydrophobicContact CG1-CG2 4.49Å; V1074-P1076 WeakPolarHBondContact O-CD 3.44Å; V1074-F1099 HydrophobicContact CG2-CD2 3.93Å; V1074-F1099 HydrophobicContact CG2-CE2 3.89Å; V1074-W1110 HydrophobicContact CB-CB 4.34Å; V1074-W1110 PolarHBondContact N-O 2.91Å; V1074-I1112 HydrophobicContact CG2-CD1 4.5Å; V1074-I1112 HydrophobicContact CG2-CG1 3.96Å | ||
| 1075 | V | 89.3 | Confident | 81.9 | Confident | 59 Ų | 59 | 63.9 Ų | 63.9 | 36% | 0.358 | 35% | 0.352 | S | S | . | . | trans | -92.9 | 114.2 | -173.8 | -175.6 | 0 | 0 | 0 | 0 | 111.2 | W1048 P1073 I1077 Y1109 | W1048-V1075 WeakPolarHBondContact CZ2-O 3.46Å; P1073-V1075 HydrophobicContact CB-CG2 4.15Å; P1073-V1075 HydrophobicContact CG-CG2 4.34Å; P1073-V1075 PolarHBondContact O-N 3.21Å; V1075-I1077 PolarHBondContact O-N 2.81Å; V1075-I1077 VanDerWaalsContact O-N 3.11Å; V1075-Y1109 HydrophobicContact CG1-CE1 4.4Å; V1075-Y1109 HydrophobicContact CG1-CE2 4.3Å; V1075-Y1109 HydrophobicContact CG2-CD2 3.88Å; V1075-Y1109 HydrophobicContact CG2-CE2 4.12Å; V1075-Y1109 HydrophobicContact CG2-CG 4.28Å | ||
| 1076 | P | 87.6 | Confident | 83 | Confident | 23 Ų | 23 | 70.4 Ų | 70.4 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | trans | -73.1 | 104.9 | 179.2 | 28.6 | -33.5 | 0 | 0 | 0 | 111.4 | W1048 V1074 H1081 V1085 | W1048-P1076 HydrophobicContact CH2-CB 4.06Å; W1048-P1076 HydrophobicContact CZ2-CB 4.37Å; V1074-P1076 WeakPolarHBondContact O-CD 3.44Å; P1076-H1081 HydrophobicContact CB-CB 3.56Å; P1076-V1085 HydrophobicContact CB-CG2 4.42Å | ||
| 1077 | I | 85.4 | Confident | 84.1 | Confident | 140 Ų | 140 | 70 Ų | 70 | 72% | 0.718 | 35% | 0.354 | S | S | * | . | trans | -76 | -44 | -176.1 | -54.4 | 177.9 | 0 | 0 | 0 | 112.4 | V1075 | V1075-I1077 PolarHBondContact O-N 2.81Å; V1075-I1077 VanDerWaalsContact O-N 3.11Å | ||
| 1078 | E | 87.6 | Confident | 85.1 | Confident | 113 Ų | 113 | 67.3 Ų | 67.3 | 53% | 0.528 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -99.6 | 163.5 | -173.7 | -58.8 | -162.6 | 174.9 | 0 | 0 | 113.3 | I1080 H1081 C1082 | E1078-I1080 HydrophobicContact CB-CG2 4.32Å; E1078-I1080 PolarHBondContact O-N 3Å; E1078-H1081 PolarHBondContact N-ND1 2.92Å; E1078-H1081 PolarHBondContact O-N 2.63Å; E1078-H1081 VanDerWaalsContact O-N 3.16Å; E1078-C1082 PolarHBondContact O-N 3.47Å |
| 1079 | E | 85.9 | Confident | 85.9 | Confident | 134 Ų | 134 | 67.8 Ų | 67.8 | 63% | 0.626 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.6 | -33.5 | 179.7 | -160.9 | -169.8 | 153.2 | 0 | 0 | 111.8 | C1082 K1083 | E1079-C1082 PolarHBondContact O-N 2.99Å; E1079-K1083 VanDerWaalsContact CD-NZ 3.34Å; E1079-K1083 WeakPolarHBondContact O-CG 3.25Å; E1079-K1083 PolarHBondContact O-N 2.93Å; E1079-K1083 WeakPolarHBondContact OE1-CE 3.46Å; E1079-K1083 IonicContact OE1-NZ 2.96Å; E1079-K1083 PolarHBondContact OE1-NZ 2.92Å |
| 1080 | I | 87.8 | Confident | 87.1 | Confident | 36 Ų | 36 | 64.9 Ų | 64.9 | 19% | 0.185 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70 | -38.1 | 176.6 | -164.4 | 161.9 | 0 | 0 | 0 | 112 | F1042 E1044 E1078 K1083 A1084 | F1042-I1080 HydrophobicContact CD1-CG1 4.11Å; F1042-I1080 HydrophobicContact CE1-CG1 4.42Å; E1044-I1080 HydrophobicContact CB-CD1 4.23Å; E1044-I1080 WeakPolarHBondContact OE2-CD1 3.46Å; E1078-I1080 HydrophobicContact CB-CG2 4.32Å; E1078-I1080 PolarHBondContact O-N 3Å; I1080-K1083 PolarHBondContact O-N 2.95Å; I1080-A1084 WeakPolarHBondContact O-CB 3.41Å; I1080-A1084 PolarHBondContact O-N 3.27Å |
| 1081 | H | 91.7 | Very high | 87.6 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 7% | 0.065 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 173.3 | -49.5 | 159.5 | 0 | 0 | 0 | 110.7 | W1048 P1076 E1078 K1083 A1084 V1085 | W1048-H1081 WeakPolarHBondContact CB-NE2 3.46Å; W1048-H1081 AromaticContact CD1-CE1 3.4Å; W1048-H1081 VanDerWaalsContact CD1-CE1 3.4Å; W1048-H1081 AromaticContact CD1-ND1 3.61Å; W1048-H1081 AromaticContact CD1-NE2 3.98Å; W1048-H1081 HydrophobicContact CD2-CB 4.08Å; W1048-H1081 AromaticContact CD2-CD2 3.74Å; W1048-H1081 AromaticContact CD2-CE1 3.85Å; W1048-H1081 AromaticContact CD2-CG 3.51Å; W1048-H1081 AromaticContact CD2-ND1 3.55Å; W1048-H1081 AromaticContact CD2-NE2 3.98Å; W1048-H1081 AromaticContact CE2-CG 3.94Å; W1048-H1081 AromaticContact CE2-ND1 3.67Å; W1048-H1081 HydrophobicContact CE3-CB 3.86Å; W1048-H1081 AromaticContact CE3-CD2 3.84Å; W1048-H1081 AromaticContact CE3-CG 3.7Å; W1048-H1081 AromaticContact CG-CD2 3.71Å; W1048-H1081 AromaticContact CG-CE1 3.32Å; W1048-H1081 AromaticContact CG-CG 3.82Å; W1048-H1081 AromaticContact CG-ND1 3.54Å; W1048-H1081 AromaticContact CG-NE2 3.45Å; W1048-H1081 HydrophobicContact CH2-CB 4.17Å; W1048-H1081 HydrophobicContact CZ2-CB 4.38Å; W1048-H1081 HydrophobicContact CZ3-CB 3.91Å; W1048-H1081 AromaticContact NE1-CE1 3.94Å; W1048-H1081 AromaticContact NE1-ND1 3.66Å; P1076-H1081 HydrophobicContact CB-CB 3.56Å; E1078-H1081 PolarHBondContact N-ND1 2.92Å; E1078-H1081 PolarHBondContact O-N 2.63Å; E1078-H1081 VanDerWaalsContact O-N 3.16Å; H1081-K1083 VanDerWaalsContact C-N 3.32Å; H1081-K1083 PolarHBondContact O-N 3.48Å; H1081-A1084 PolarHBondContact O-N 3.16Å; H1081-V1085 WeakPolarHBondContact O-CG2 3.26Å; H1081-V1085 PolarHBondContact O-N 3.19Å |
| 1082 | C | 86.8 | Confident | 87.7 | Confident | 44 Ų | 44 | 62.3 Ų | 62.3 | 30% | 0.297 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.4 | -33.6 | 175.3 | -77.8 | 0 | 0 | 0 | 0 | 113.4 | E1078 E1079 R1086 | E1078-C1082 PolarHBondContact O-N 3.47Å; E1079-C1082 PolarHBondContact O-N 2.99Å; C1082-R1086 WeakPolarHBondContact O-CD 3.37Å; C1082-R1086 VanDerWaalsContact O-CG 3.29Å; C1082-R1086 WeakPolarHBondContact O-CG 3.3Å |
| 1083 | K | 87.6 | Confident | 87.9 | Confident | 102 Ų | 102 | 60 Ų | 60 | 44% | 0.443 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -74.9 | -38.9 | 173.6 | -75 | 168.9 | -176.4 | 164.1 | 0 | 111.8 | F1042 E1079 I1080 H1081 | F1042-K1083 HydrophobicContact CE1-CB 3.8Å; F1042-K1083 HydrophobicContact CZ-CB 4.32Å; E1079-K1083 VanDerWaalsContact CD-NZ 3.34Å; E1079-K1083 WeakPolarHBondContact O-CG 3.25Å; E1079-K1083 PolarHBondContact O-N 2.93Å; E1079-K1083 WeakPolarHBondContact OE1-CE 3.46Å; E1079-K1083 IonicContact OE1-NZ 2.96Å; E1079-K1083 PolarHBondContact OE1-NZ 2.92Å; I1080-K1083 PolarHBondContact O-N 2.95Å; H1081-K1083 VanDerWaalsContact C-N 3.32Å; H1081-K1083 PolarHBondContact O-N 3.48Å |
| 1084 | A | 89.2 | Confident | 88 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.6 | -58.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F1042 A1045 I1080 H1081 R1086 R1087 F1090 | F1042-A1084 HydrophobicContact CD1-CB 3.74Å; F1042-A1084 HydrophobicContact CE1-CB 4.21Å; F1042-A1084 HydrophobicContact CG-CB 4.45Å; A1045-A1084 HydrophobicContact CB-CB 3.51Å; I1080-A1084 WeakPolarHBondContact O-CB 3.41Å; I1080-A1084 PolarHBondContact O-N 3.27Å; H1081-A1084 PolarHBondContact O-N 3.16Å; A1084-R1086 PolarHBondContact O-N 3.43Å; A1084-R1087 WeakPolarHBondContact O-CB 3.15Å; A1084-R1087 PolarHBondContact O-N 3.5Å; A1084-F1090 HydrophobicContact CB-CD1 4.45Å; A1084-F1090 HydrophobicContact CB-CD2 3.78Å; A1084-F1090 HydrophobicContact CB-CE2 3.89Å; A1084-F1090 HydrophobicContact CB-CG 4.07Å; A1084-F1090 HydrophobicContact CB-CZ 4.28Å; A1084-F1090 WeakPolarHBondContact O-CB 3.2Å |
| 1085 | V | 88.1 | Confident | 87.8 | Confident | 27 Ų | 27 | 60.4 Ų | 60.4 | 16% | 0.164 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -18.4 | -176.9 | 177 | 0 | 0 | 0 | 0 | 113.5 | W1048 P1076 H1081 F1090 | W1048-V1085 HydrophobicContact CH2-CG2 4.17Å; W1048-V1085 HydrophobicContact CZ3-CG2 4.05Å; P1076-V1085 HydrophobicContact CB-CG2 4.42Å; H1081-V1085 WeakPolarHBondContact O-CG2 3.26Å; H1081-V1085 PolarHBondContact O-N 3.19Å; V1085-F1090 HydrophobicContact CG2-CD1 4.03Å; V1085-F1090 HydrophobicContact CG2-CE1 3.82Å |
| 1086 | R | 85.6 | Confident | 87.6 | Confident | 202 Ų | 202 | 62.1 Ų | 62.1 | 76% | 0.762 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -15.7 | 173.6 | -72 | 176 | -174.7 | 171.2 | 5 | 114.5 | C1082 A1084 | C1082-R1086 WeakPolarHBondContact O-CD 3.37Å; C1082-R1086 VanDerWaalsContact O-CG 3.29Å; C1082-R1086 WeakPolarHBondContact O-CG 3.3Å; A1084-R1086 PolarHBondContact O-N 3.43Å |
| 1087 | R | 87.8 | Confident | 87.6 | Confident | 83 Ų | 83 | 61.2 Ų | 61.2 | 31% | 0.313 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -78.1 | 141.7 | 177.6 | -76.1 | -171 | 66.8 | 125.9 | -6.9 | 111.1 | S1040 A1084 D1089 F1090 K1091 | S1040-R1087 PolarHBondContact OG-NH2 3.05Å; A1084-R1087 WeakPolarHBondContact O-CB 3.15Å; A1084-R1087 PolarHBondContact O-N 3.5Å; R1087-D1089 IonicContact CZ-OD2 2.62Å; R1087-D1089 VanDerWaalsContact CZ-OD2 3.25Å; R1087-D1089 IonicContact NE-OD2 3.19Å; R1087-D1089 PolarHBondContact NE-OD2 3.36Å; R1087-D1089 IonicContact NH2-OD2 3.42Å; R1087-D1089 PolarHBondContact NH2-OD2 2.69Å; R1087-D1089 PolarHBondContact O-N 2.93Å; R1087-F1090 HydrophobicContact CB-CB 4.45Å; R1087-F1090 PolarHBondContact O-N 3.2Å; R1087-K1091 PolarHBondContact O-N 3.04Å |
| 1088 | P | 86 | Confident | 87.7 | Confident | 75 Ų | 75 | 60 Ų | 60 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.8 | -36.7 | 174.3 | 25.8 | -34 | 0 | 0 | 0 | 111.6 | F1090 K1091 R1092 | P1088-F1090 VanDerWaalsContact C-N 3.3Å; P1088-F1090 PolarHBondContact O-N 2.98Å; P1088-K1091 PolarHBondContact O-N 3.37Å; P1088-R1092 WeakPolarHBondContact O-CG 3.45Å; P1088-R1092 PolarHBondContact O-N 2.94Å |
| 1089 | D | 85.1 | Confident | 87.8 | Confident | 26 Ų | 26 | 54.9 Ų | 54.9 | 14% | 0.139 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.9 | -35.3 | 179.2 | -39.5 | -52.5 | 0 | 0 | 0 | 112.5 | L1033 L1037 R1087 L1093 | L1033-D1089 HydrophobicContact CD1-CB 4.34Å; L1037-D1089 HydrophobicContact CD2-CB 3.91Å; L1037-D1089 HydrophobicContact CG-CB 4.2Å; R1087-D1089 IonicContact CZ-OD2 2.62Å; R1087-D1089 VanDerWaalsContact CZ-OD2 3.25Å; R1087-D1089 IonicContact NE-OD2 3.19Å; R1087-D1089 PolarHBondContact NE-OD2 3.36Å; R1087-D1089 IonicContact NH2-OD2 3.42Å; R1087-D1089 PolarHBondContact NH2-OD2 2.69Å; R1087-D1089 PolarHBondContact O-N 2.93Å; D1089-L1093 PolarHBondContact O-N 3.48Å; D1089-L1093 VanDerWaalsContact O-N 3.1Å |
| 1090 | F | 91 | Very high | 87.8 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -81.6 | -35.5 | 178.1 | -158 | -85 | 0 | 0 | 0 | 111.7 | L1037 A1045 W1048 L1049 A1084 V1085 R1087 P1088 R1092 L1093 L1094 | L1037-F1090 HydrophobicContact CD1-CD2 3.97Å; L1037-F1090 HydrophobicContact CD2-CB 4.2Å; L1037-F1090 HydrophobicContact CD2-CD2 4.16Å; A1045-F1090 HydrophobicContact CB-CE2 4.12Å; W1048-F1090 HydrophobicContact CE3-CZ 4.48Å; W1048-F1090 HydrophobicContact CZ3-CE1 4.31Å; W1048-F1090 HydrophobicContact CZ3-CZ 4.17Å; L1049-F1090 HydrophobicContact CD2-CZ 4.23Å; A1084-F1090 HydrophobicContact CB-CD1 4.45Å; A1084-F1090 HydrophobicContact CB-CD2 3.78Å; A1084-F1090 HydrophobicContact CB-CE2 3.89Å; A1084-F1090 HydrophobicContact CB-CG 4.07Å; A1084-F1090 HydrophobicContact CB-CZ 4.28Å; A1084-F1090 WeakPolarHBondContact O-CB 3.2Å; V1085-F1090 HydrophobicContact CG2-CD1 4.03Å; V1085-F1090 HydrophobicContact CG2-CE1 3.82Å; R1087-F1090 HydrophobicContact CB-CB 4.45Å; R1087-F1090 PolarHBondContact O-N 3.2Å; P1088-F1090 VanDerWaalsContact C-N 3.3Å; P1088-F1090 PolarHBondContact O-N 2.98Å; F1090-R1092 VanDerWaalsContact C-N 3.28Å; F1090-R1092 PolarHBondContact O-N 3.33Å; F1090-L1093 HydrophobicContact CD2-CD2 4.36Å; F1090-L1093 HydrophobicContact CE2-CD2 4.27Å; F1090-L1093 WeakPolarHBondContact O-CB 3.45Å; F1090-L1093 PolarHBondContact O-N 2.88Å; F1090-L1093 VanDerWaalsContact O-N 3.15Å; F1090-L1094 HydrophobicContact CD1-CD1 3.99Å; F1090-L1094 HydrophobicContact CD1-CG 4.13Å; F1090-L1094 HydrophobicContact CE1-CD1 4.05Å; F1090-L1094 HydrophobicContact CE1-CD2 4.18Å; F1090-L1094 HydrophobicContact CE1-CG 4.13Å; F1090-L1094 WeakPolarHBondContact O-CG 3.3Å; F1090-L1094 PolarHBondContact O-N 2.84Å |
| 1091 | K | 89.8 | Confident | 87.7 | Confident | 63 Ų | 63 | 53.9 Ų | 53.9 | 27% | 0.274 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56 | -45.1 | 167.4 | -75.5 | -173.9 | 154.2 | -161.3 | 0 | 110.9 | E1022 R1087 P1088 L1093 L1094 H1095 W1110 | E1022-K1091 VanDerWaalsContact CD-NZ 3.26Å; E1022-K1091 IonicContact OE1-NZ 2.66Å; E1022-K1091 PolarHBondContact OE1-NZ 3.43Å; E1022-K1091 IonicContact OE2-NZ 3.17Å; E1022-K1091 PolarHBondContact OE2-NZ 3.42Å; R1087-K1091 PolarHBondContact O-N 3.04Å; P1088-K1091 PolarHBondContact O-N 3.37Å; K1091-L1093 VanDerWaalsContact C-N 3.32Å; K1091-L1093 PolarHBondContact O-N 3Å; K1091-L1094 PolarHBondContact O-N 2.92Å; K1091-H1095 PolarHBondContact O-CD2 2.86Å; K1091-H1095 PolarHBondContact O-N 2.82Å; K1091-W1110 HydrophobicContact CB-CZ2 4.12Å; K1091-W1110 HydrophobicContact CG-CZ2 3.96Å |
| 1092 | R | 85.8 | Confident | 87.3 | Confident | 62 Ų | 62 | 55.7 Ų | 55.7 | 23% | 0.234 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.6 | -39.7 | 174.8 | -72.7 | 179.1 | -174.1 | 175.7 | 4.9 | 111.9 | F1024 L1033 P1088 F1090 L1094 H1095 E1096 | F1024-R1092 HydrophobicContact CE1-CG 3.91Å; L1033-R1092 HydrophobicContact CD1-CB 4.21Å; L1033-R1092 HydrophobicContact CD2-CB 3.92Å; P1088-R1092 WeakPolarHBondContact O-CG 3.45Å; P1088-R1092 PolarHBondContact O-N 2.94Å; F1090-R1092 VanDerWaalsContact C-N 3.28Å; F1090-R1092 PolarHBondContact O-N 3.33Å; R1092-L1094 VanDerWaalsContact C-N 3.31Å; R1092-L1094 PolarHBondContact O-N 3.28Å; R1092-H1095 PolarHBondContact O-N 2.87Å; R1092-E1096 WeakPolarHBondContact O-CB 3.27Å; R1092-E1096 WeakPolarHBondContact O-CG 3.46Å; R1092-E1096 PolarHBondContact O-N 3.36Å |
| 1093 | L | 90.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.9 | -41.8 | 176 | -175.6 | 68 | 0 | 0 | 0 | 111.4 | L1030 L1033 V1034 L1037 L1049 D1089 F1090 K1091 E1096 L1097 L1128 | L1030-L1093 HydrophobicContact CD1-CD1 3.74Å; L1033-L1093 HydrophobicContact CD2-CB 3.84Å; L1033-L1093 HydrophobicContact CD2-CD1 4.2Å; V1034-L1093 HydrophobicContact CG2-CD1 3.95Å; L1037-L1093 HydrophobicContact CD1-CB 4.3Å; L1037-L1093 HydrophobicContact CD1-CD2 3.87Å; L1049-L1093 HydrophobicContact CD2-CD2 4.09Å; D1089-L1093 PolarHBondContact O-N 3.48Å; D1089-L1093 VanDerWaalsContact O-N 3.1Å; F1090-L1093 HydrophobicContact CD2-CD2 4.36Å; F1090-L1093 HydrophobicContact CE2-CD2 4.27Å; F1090-L1093 WeakPolarHBondContact O-CB 3.45Å; F1090-L1093 PolarHBondContact O-N 2.88Å; F1090-L1093 VanDerWaalsContact O-N 3.15Å; K1091-L1093 VanDerWaalsContact C-N 3.32Å; K1091-L1093 PolarHBondContact O-N 3Å; L1093-E1096 PolarHBondContact O-N 2.61Å; L1093-L1097 HydrophobicContact CG-CD1 4.23Å; L1093-L1097 WeakPolarHBondContact O-CD1 3.38Å; L1093-L1097 VanDerWaalsContact O-CG 3.22Å; L1093-L1097 WeakPolarHBondContact O-CG 3.48Å; L1093-L1097 PolarHBondContact O-N 3.19Å; L1093-L1097 VanDerWaalsContact O-N 3.11Å; L1093-L1128 HydrophobicContact CD1-CD2 4.03Å; L1093-L1128 HydrophobicContact CD2-CD2 4.39Å |
| 1094 | L | 90.5 | Very high | 85 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.3 | -36.9 | 177.3 | -62.7 | 174.4 | 0 | 0 | 0 | 112.3 | L1049 F1090 K1091 R1092 L1097 N1098 F1099 W1110 | L1049-L1094 HydrophobicContact CD1-CD2 3.87Å; L1049-L1094 HydrophobicContact CD2-CD2 3.9Å; F1090-L1094 HydrophobicContact CD1-CD1 3.99Å; F1090-L1094 HydrophobicContact CD1-CG 4.13Å; F1090-L1094 HydrophobicContact CE1-CD1 4.05Å; F1090-L1094 HydrophobicContact CE1-CD2 4.18Å; F1090-L1094 HydrophobicContact CE1-CG 4.13Å; F1090-L1094 WeakPolarHBondContact O-CG 3.3Å; F1090-L1094 PolarHBondContact O-N 2.84Å; K1091-L1094 PolarHBondContact O-N 2.92Å; R1092-L1094 VanDerWaalsContact C-N 3.31Å; R1092-L1094 PolarHBondContact O-N 3.28Å; L1094-L1097 PolarHBondContact O-N 3.03Å; L1094-N1098 PolarHBondContact O-N 2.65Å; L1094-F1099 HydrophobicContact CB-CB 4.38Å; L1094-F1099 HydrophobicContact CD2-CD2 3.82Å; L1094-F1099 HydrophobicContact CD2-CE2 4.24Å; L1094-F1099 WeakPolarHBondContact O-CB 3.06Å; L1094-F1099 PolarHBondContact O-N 3.27Å; L1094-W1110 HydrophobicContact CB-CD2 4.07Å; L1094-W1110 HydrophobicContact CB-CE3 3.64Å; L1094-W1110 HydrophobicContact CB-CH2 4.17Å; L1094-W1110 HydrophobicContact CB-CZ3 3.69Å; L1094-W1110 HydrophobicContact CD1-CB 4.27Å; L1094-W1110 HydrophobicContact CD1-CD2 3.54Å; L1094-W1110 HydrophobicContact CD1-CE3 4.02Å; L1094-W1110 HydrophobicContact CD1-CG 3.64Å; L1094-W1110 HydrophobicContact CD1-CZ2 4.43Å; L1094-W1110 HydrophobicContact CG-CD2 4.44Å; L1094-W1110 HydrophobicContact CG-CE3 4.45Å |
| 1095 | H | 85.9 | Confident | 83.4 | Confident | 64 Ų | 64 | 62.1 Ų | 62.1 | 30% | 0.296 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.7 | -43.1 | 171.7 | -84 | -75.2 | 0 | 0 | 0 | 113.2 | F1024 K1091 R1092 L1097 N1098 W1110 | F1024-H1095 HydrophobicContact CE1-CB 4.46Å; F1024-H1095 HydrophobicContact CZ-CB 3.93Å; F1024-H1095 AromaticContact CZ-CD2 3.5Å; F1024-H1095 AromaticContact CZ-CG 3.69Å; F1024-H1095 AromaticContact CZ-NE2 4Å; K1091-H1095 PolarHBondContact O-CD2 2.86Å; K1091-H1095 PolarHBondContact O-N 2.82Å; R1092-H1095 PolarHBondContact O-N 2.87Å; H1095-L1097 PolarHBondContact O-N 3.33Å; H1095-N1098 WeakPolarHBondContact O-CA 3.45Å; H1095-N1098 PolarHBondContact O-N 2.91Å; H1095-W1110 AromaticContact CD2-CH2 3.45Å; H1095-W1110 VanDerWaalsContact CD2-CH2 3.45Å; H1095-W1110 WeakPolarHBondContact CD2-CH2 3.18Å; H1095-W1110 AromaticContact NE2-CH2 3.46Å; H1095-W1110 WeakPolarHBondContact NE2-CH2 3.47Å |
| 1096 | E | 84.7 | Confident | 82.2 | Confident | 96 Ų | 96 | 68.2 Ų | 68.2 | 45% | 0.449 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63 | -24.1 | 175.1 | -73.4 | -73.6 | 149 | 0 | 0 | 112.6 | L1030 R1092 L1093 N1098 | L1030-E1096 HydrophobicContact CD1-CB 3.86Å; R1092-E1096 WeakPolarHBondContact O-CB 3.27Å; R1092-E1096 WeakPolarHBondContact O-CG 3.46Å; R1092-E1096 PolarHBondContact O-N 3.36Å; L1093-E1096 PolarHBondContact O-N 2.61Å; E1096-N1098 VanDerWaalsContact C-N 3.32Å |
| 1097 | L | 87.6 | Confident | 81.6 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 4.5 | 171 | -65.4 | 168.9 | 0 | 0 | 0 | 113.3 | L1049 L1093 L1094 H1095 F1099 F1116 C1124 L1128 | L1049-L1097 HydrophobicContact CD2-CD1 3.76Å; L1093-L1097 HydrophobicContact CG-CD1 4.23Å; L1093-L1097 WeakPolarHBondContact O-CD1 3.38Å; L1093-L1097 VanDerWaalsContact O-CG 3.22Å; L1093-L1097 WeakPolarHBondContact O-CG 3.48Å; L1093-L1097 PolarHBondContact O-N 3.19Å; L1093-L1097 VanDerWaalsContact O-N 3.11Å; L1094-L1097 PolarHBondContact O-N 3.03Å; H1095-L1097 PolarHBondContact O-N 3.33Å; L1097-F1099 VanDerWaalsContact C-N 3.34Å; L1097-F1099 HydrophobicContact CB-CD1 4.01Å; L1097-F1099 HydrophobicContact CB-CE1 4.02Å; L1097-F1099 WeakPolarHBondContact O-CD1 3.4Å; L1097-F1099 PolarHBondContact O-N 3.15Å; L1097-F1116 VanDerWaalsContact O-CZ 3.31Å; L1097-F1116 WeakPolarHBondContact O-CZ 3.48Å; L1097-C1124 HydrophobicContact CD2-CB 4.05Å; L1097-L1128 HydrophobicContact CD1-CD1 4.02Å; L1097-L1128 HydrophobicContact CD1-CD2 4.27Å; L1097-L1128 HydrophobicContact CD1-CG 4.43Å; L1097-L1128 HydrophobicContact CD2-CD1 4.35Å; L1097-L1128 HydrophobicContact CD2-CG 4.23Å |
| 1098 | N | 86.2 | Confident | 81.1 | Confident | 114 Ų | 114 | 65 Ų | 65 | 61% | 0.61 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 37.7 | -175.1 | -59 | -55.6 | 0 | 0 | 0 | 114.8 | L1094 H1095 E1096 P1113 F1116 | L1094-N1098 PolarHBondContact O-N 2.65Å; H1095-N1098 WeakPolarHBondContact O-CA 3.45Å; H1095-N1098 PolarHBondContact O-N 2.91Å; E1096-N1098 VanDerWaalsContact C-N 3.32Å; N1098-P1113 VanDerWaalsContact O-CG 3.24Å; N1098-P1113 WeakPolarHBondContact O-CG 3.04Å; N1098-F1116 HydrophobicContact CB-CE2 4.12Å; N1098-F1116 HydrophobicContact CB-CZ 4.02Å |
| 1099 | F | 90.4 | Very high | 81.2 | Confident | 5 Ų | 5 | 66 Ų | 66 | 2% | 0.022 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 144.2 | 173.2 | -71.9 | 16.1 | 0 | 0 | 0 | 110.6 | L1049 I1053 V1074 L1094 L1097 W1110 R1111 I1112 | L1049-F1099 HydrophobicContact CD1-CE2 3.97Å; I1053-F1099 HydrophobicContact CD1-CZ 3.86Å; I1053-F1099 HydrophobicContact CG1-CZ 3.94Å; V1074-F1099 HydrophobicContact CG2-CD2 3.93Å; V1074-F1099 HydrophobicContact CG2-CE2 3.89Å; L1094-F1099 HydrophobicContact CB-CB 4.38Å; L1094-F1099 HydrophobicContact CD2-CD2 3.82Å; L1094-F1099 HydrophobicContact CD2-CE2 4.24Å; L1094-F1099 WeakPolarHBondContact O-CB 3.06Å; L1094-F1099 PolarHBondContact O-N 3.27Å; L1097-F1099 VanDerWaalsContact C-N 3.34Å; L1097-F1099 HydrophobicContact CB-CD1 4.01Å; L1097-F1099 HydrophobicContact CB-CE1 4.02Å; L1097-F1099 WeakPolarHBondContact O-CD1 3.4Å; L1097-F1099 PolarHBondContact O-N 3.15Å; F1099-W1110 HydrophobicContact CB-CE3 4.18Å; F1099-R1111 CarbonylContact C-O 3.39Å; F1099-R1111 WeakPolarHBondContact CA-O 3.36Å; F1099-R1111 WeakPolarHBondContact CB-O 3.31Å; F1099-I1112 HydrophobicContact CD2-CG1 4.17Å; F1099-I1112 HydrophobicContact CE1-CG1 4.18Å; F1099-I1112 HydrophobicContact CE2-CD1 4.31Å; F1099-I1112 HydrophobicContact CE2-CG1 3.69Å; F1099-I1112 HydrophobicContact CZ-CD1 4.15Å; F1099-I1112 HydrophobicContact CZ-CG1 3.71Å |
| 1100 | W | 86.4 | Confident | 81.4 | Confident | 103 Ų | 103 | 65.6 Ų | 65.6 | 39% | 0.39 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -74.3 | 132.2 | 178.6 | -66.7 | -18.8 | 0 | 0 | 0 | 111.3 | A1071 W1110 R1111 P1113 D1114 | A1071-W1100 HydrophobicContact CB-CE3 3.95Å; A1071-W1100 HydrophobicContact CB-CZ3 3.59Å; W1100-W1110 CarbonylContact O-C 3.56Å; W1100-W1110 VanDerWaalsContact O-CA 3.25Å; W1100-W1110 WeakPolarHBondContact O-CA 3.41Å; W1100-R1111 HydrophobicContact CB-CB 4.41Å; W1100-R1111 PolarHBondContact N-O 3.05Å; W1100-R1111 PolarHBondContact O-N 2.99Å; W1100-P1113 HydrophobicContact CD2-CB 4.1Å; W1100-P1113 HydrophobicContact CD2-CG 4.12Å; W1100-P1113 HydrophobicContact CG-CG 4.09Å; W1100-P1113 HydrophobicContact CH2-CB 4.33Å; W1100-P1113 HydrophobicContact CZ2-CB 3.76Å; W1100-D1114 VanDerWaalsContact CH2-OD1 3.22Å; W1100-D1114 WeakPolarHBondContact CH2-OD1 3.3Å |
| 1101 | A | 86.1 | Confident | 81.3 | Confident | 46 Ų | 46 | 68.3 Ų | 68.3 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 155 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D1103 W1110 | A1101-D1103 PolarHBondContact O-N 3.29Å; A1101-W1110 HydrophobicContact CB-CE3 4.4Å; A1101-W1110 HydrophobicContact CB-CH2 4Å; A1101-W1110 HydrophobicContact CB-CZ2 4.38Å; A1101-W1110 HydrophobicContact CB-CZ3 4.02Å |
| 1102 | P | 82.8 | Confident | 81.2 | Confident | 53 Ų | 53 | 65.3 Ų | 65.3 | 34% | 0.344 | 33% | 0.33 | S | S | . | . | trans | -68.9 | 112.2 | 174 | 26.5 | -32.9 | 0 | 0 | 0 | 111.8 | G1104 H1107 | P1102-G1104 PolarHBondContact O-N 2.68Å; P1102-G1104 VanDerWaalsContact O-N 3.17Å; P1102-H1107 CarbonylContact C-O 3.6Å; P1102-H1107 WeakPolarHBondContact CA-O 3.47Å; P1102-H1107 WeakPolarHBondContact CB-O 3.36Å | ||
| 1103 | D | 72.4 | Confident | 81.2 | Confident | 72 Ų | 72 | 62.4 Ų | 62.4 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | trans | -73.6 | 5 | -172.9 | 68.2 | 9.4 | 0 | 0 | 0 | 116.6 | A1101 I1105 Q1106 H1107 | A1101-D1103 PolarHBondContact O-N 3.29Å; D1103-I1105 PolarHBondContact O-N 3.07Å; D1103-I1105 PolarHBondContact OD1-N 3.33Å; D1103-Q1106 PolarHBondContact OD1-N 2.98Å; D1103-H1107 IonicContact OD1-CG 3.39Å; D1103-H1107 PolarHBondContact OD1-N 2.64Å; D1103-H1107 IonicContact OD2-CD2 3.27Å; D1103-H1107 IonicContact OD2-CG 3.71Å | ||
| 1104 | G | 54.1 | Low | 80.9 | Confident | 75 Ų | 75 | 65.4 Ų | 65.4 | 77% | 0.773 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 70.5 | -29.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | P1102 | P1102-G1104 PolarHBondContact O-N 2.68Å; P1102-G1104 VanDerWaalsContact O-N 3.17Å |
| 1105 | I | 54.9 | Low | 80.5 | Confident | 134 Ų | 134 | 70.3 Ų | 70.3 | 69% | 0.687 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -94.7 | -35.4 | -173.8 | -57.7 | 176.7 | 0 | 0 | 0 | 111.6 | D1103 | D1103-I1105 PolarHBondContact O-N 3.07Å; D1103-I1105 PolarHBondContact OD1-N 3.33Å |
| 1106 | Q | 62.9 | Low | 80.3 | Confident | 155 Ų | 155 | 67.9 Ų | 67.9 | 72% | 0.724 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -132.7 | -19.3 | -179.5 | -59.5 | -165.9 | 19 | 0 | 0 | 114.3 | D1103 | D1103-Q1106 PolarHBondContact OD1-N 2.98Š|
| 1107 | H | 72.3 | Confident | 80.2 | Confident | 48 Ų | 48 | 65 Ų | 65 | 22% | 0.222 | 34% | 0.344 | C | S | . | . | trans | -125.9 | 125.2 | -169.7 | -62.8 | -16.5 | 0 | 0 | 0 | 112.1 | P1102 D1103 R1111 | P1102-H1107 CarbonylContact C-O 3.6Å; P1102-H1107 WeakPolarHBondContact CA-O 3.47Å; P1102-H1107 WeakPolarHBondContact CB-O 3.36Å; D1103-H1107 IonicContact OD1-CG 3.39Å; D1103-H1107 PolarHBondContact OD1-N 2.64Å; D1103-H1107 IonicContact OD2-CD2 3.27Å; D1103-H1107 IonicContact OD2-CG 3.71Å; H1107-R1111 PolarHBondContact CE1-NE 3.45Å; H1107-R1111 VanDerWaalsContact CG-NE 3.33Å; H1107-R1111 PolarHBondContact ND1-NE 2.84Å; H1107-R1111 PolarHBondContact ND1-NH2 3.26Å | ||
| 1108 | K | 78.7 | Confident | 80 | Confident | 170 Ų | 170 | 66.4 Ų | 66.4 | 74% | 0.739 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -100.9 | -18.1 | -176 | -172.2 | 175.6 | 179.1 | -176.9 | 0 | 114 | ||
| 1109 | Y | 87.1 | Confident | 79.9 | Confident | 96 Ų | 96 | 67.3 Ų | 67.3 | 38% | 0.376 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -126.9 | 158.3 | 179.7 | -56.4 | -67.5 | 0 | 0 | 0 | 108.9 | V1075 | V1075-Y1109 HydrophobicContact CG1-CE1 4.4Å; V1075-Y1109 HydrophobicContact CG1-CE2 4.3Å; V1075-Y1109 HydrophobicContact CG2-CD2 3.88Å; V1075-Y1109 HydrophobicContact CG2-CE2 4.12Å; V1075-Y1109 HydrophobicContact CG2-CG 4.28Å |
| 1110 | W | 90 | Very high | 79.7 | Confident | 16 Ų | 16 | 71.5 Ų | 71.5 | 6% | 0.061 | 38% | 0.377 | C | S | . | . | trans | -55.9 | 147.5 | 167.4 | -70.7 | 81.8 | 0 | 0 | 0 | 110.5 | P1073 V1074 K1091 L1094 H1095 F1099 W1100 A1101 | P1073-W1110 CarbonylContact C-O 3.59Å; P1073-W1110 WeakPolarHBondContact CA-O 3.06Å; V1074-W1110 HydrophobicContact CB-CB 4.34Å; V1074-W1110 PolarHBondContact N-O 2.91Å; K1091-W1110 HydrophobicContact CB-CZ2 4.12Å; K1091-W1110 HydrophobicContact CG-CZ2 3.96Å; L1094-W1110 HydrophobicContact CB-CD2 4.07Å; L1094-W1110 HydrophobicContact CB-CE3 3.64Å; L1094-W1110 HydrophobicContact CB-CH2 4.17Å; L1094-W1110 HydrophobicContact CB-CZ3 3.69Å; L1094-W1110 HydrophobicContact CD1-CB 4.27Å; L1094-W1110 HydrophobicContact CD1-CD2 3.54Å; L1094-W1110 HydrophobicContact CD1-CE3 4.02Å; L1094-W1110 HydrophobicContact CD1-CG 3.64Å; L1094-W1110 HydrophobicContact CD1-CZ2 4.43Å; L1094-W1110 HydrophobicContact CG-CD2 4.44Å; L1094-W1110 HydrophobicContact CG-CE3 4.45Å; H1095-W1110 AromaticContact CD2-CH2 3.45Å; H1095-W1110 VanDerWaalsContact CD2-CH2 3.45Å; H1095-W1110 WeakPolarHBondContact CD2-CH2 3.18Å; H1095-W1110 AromaticContact NE2-CH2 3.46Å; H1095-W1110 WeakPolarHBondContact NE2-CH2 3.47Å; F1099-W1110 HydrophobicContact CB-CE3 4.18Å; W1100-W1110 CarbonylContact O-C 3.56Å; W1100-W1110 VanDerWaalsContact O-CA 3.25Å; W1100-W1110 WeakPolarHBondContact O-CA 3.41Å; A1101-W1110 HydrophobicContact CB-CE3 4.4Å; A1101-W1110 HydrophobicContact CB-CH2 4Å; A1101-W1110 HydrophobicContact CB-CZ2 4.38Å; A1101-W1110 HydrophobicContact CB-CZ3 4.02Å | ||
| 1111 | R | 87.8 | Confident | 79.8 | Confident | 57 Ų | 57 | 66.6 Ų | 66.6 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 141.9 | 177.8 | -63.8 | -172.1 | 177.7 | -93.3 | 2 | 112.3 | A1071 I1072 P1073 F1099 W1100 H1107 | A1071-R1111 HydrophobicContact CB-CB 4.24Å; A1071-R1111 PolarHBondContact O-NH1 3.05Å; I1072-R1111 CarbonylContact O-C 3.57Å; I1072-R1111 VanDerWaalsContact O-CA 3.26Å; I1072-R1111 WeakPolarHBondContact O-CA 3.37Å; P1073-R1111 HydrophobicContact CB-CG 4.44Å; F1099-R1111 CarbonylContact C-O 3.39Å; F1099-R1111 WeakPolarHBondContact CA-O 3.36Å; F1099-R1111 WeakPolarHBondContact CB-O 3.31Å; W1100-R1111 HydrophobicContact CB-CB 4.41Å; W1100-R1111 PolarHBondContact N-O 3.05Å; W1100-R1111 PolarHBondContact O-N 2.99Å; H1107-R1111 PolarHBondContact CE1-NE 3.45Å; H1107-R1111 VanDerWaalsContact CG-NE 3.33Å; H1107-R1111 PolarHBondContact ND1-NE 2.84Å; H1107-R1111 PolarHBondContact ND1-NH2 3.26Å |
| 1112 | I | 89.2 | Confident | 79.9 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 123.6 | 160.2 | -58 | 179.9 | 0 | 0 | 0 | 106.4 | V1052 I1053 T1056 I1068 A1071 I1072 V1074 F1099 F1116 L1121 | V1052-I1112 HydrophobicContact CG1-CD1 4.45Å; I1053-I1112 HydrophobicContact CG1-CD1 4.49Å; T1056-I1112 HydrophobicContact CG2-CD1 4.2Å; I1068-I1112 HydrophobicContact CD1-CG2 3.94Å; A1071-I1112 CarbonylContact C-O 3.59Å; A1071-I1112 VanDerWaalsContact CA-O 3.23Å; A1071-I1112 WeakPolarHBondContact CA-O 2.94Å; A1071-I1112 WeakPolarHBondContact CB-O 3.41Å; I1072-I1112 HydrophobicContact CB-CB 4.47Å; I1072-I1112 PolarHBondContact N-O 3.1Å; I1072-I1112 VanDerWaalsContact N-O 3.08Å; I1072-I1112 PolarHBondContact O-N 3.31Å; V1074-I1112 HydrophobicContact CG2-CD1 4.5Å; V1074-I1112 HydrophobicContact CG2-CG1 3.96Å; F1099-I1112 HydrophobicContact CD2-CG1 4.17Å; F1099-I1112 HydrophobicContact CE1-CG1 4.18Å; F1099-I1112 HydrophobicContact CE2-CD1 4.31Å; F1099-I1112 HydrophobicContact CE2-CG1 3.69Å; F1099-I1112 HydrophobicContact CZ-CD1 4.15Å; F1099-I1112 HydrophobicContact CZ-CG1 3.71Å; I1112-F1116 HydrophobicContact CG2-CB 4.49Å; I1112-L1121 HydrophobicContact CG2-CD2 3.68Å |
| 1113 | P | 85.7 | Confident | 80.1 | Confident | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.013 | 36% | 0.36 | C | S | . | . | trans | -61.5 | 146 | -178.8 | -23.4 | 34.3 | 0 | 0 | 0 | 112.3 | N1098 W1100 T1115 F1116 | N1098-P1113 VanDerWaalsContact O-CG 3.24Å; N1098-P1113 WeakPolarHBondContact O-CG 3.04Å; W1100-P1113 HydrophobicContact CD2-CB 4.1Å; W1100-P1113 HydrophobicContact CD2-CG 4.12Å; W1100-P1113 HydrophobicContact CG-CG 4.09Å; W1100-P1113 HydrophobicContact CH2-CB 4.33Å; W1100-P1113 HydrophobicContact CZ2-CB 3.76Å; P1113-T1115 WeakPolarHBondContact CB-OG1 3.38Å; P1113-T1115 PolarHBondContact O-N 3.26Å; P1113-F1116 HydrophobicContact CB-CD2 3.91Å; P1113-F1116 HydrophobicContact CB-CE2 4.38Å; P1113-F1116 HydrophobicContact CG-CD2 3.82Å; P1113-F1116 HydrophobicContact CG-CE2 3.82Å; P1113-F1116 PolarHBondContact O-N 3.39Å | ||
| 1114 | D | 83.4 | Confident | 80.8 | Confident | 62 Ų | 62 | 65.2 Ų | 65.2 | 33% | 0.332 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -29.8 | 172.6 | 55.8 | -2 | 0 | 0 | 0 | 113.1 | A1071 W1100 F1116 | A1071-D1114 HydrophobicContact CB-CB 4.44Å; W1100-D1114 VanDerWaalsContact CH2-OD1 3.22Å; W1100-D1114 WeakPolarHBondContact CH2-OD1 3.3Å; D1114-F1116 PolarHBondContact O-N 2.97Å |
| 1115 | T | 81.5 | Confident | 82.5 | Confident | 104 Ų | 104 | 61.9 Ų | 61.9 | 64% | 0.638 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -8.3 | 176.6 | 49.9 | 0 | 0 | 0 | 0 | 115.3 | P1113 | P1113-T1115 WeakPolarHBondContact CB-OG1 3.38Å; P1113-T1115 PolarHBondContact O-N 3.26Å |
| 1116 | F | 81.9 | Confident | 84.1 | Confident | 14 Ų | 14 | 60.3 Ų | 60.3 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | trans | -73.6 | 130.2 | 176.3 | -95.7 | -123.1 | 0 | 0 | 0 | 111.5 | I1068 L1097 N1098 I1112 P1113 D1114 Q1120 L1121 | I1068-F1116 HydrophobicContact CD1-CB 3.55Å; I1068-F1116 VanDerWaalsContact CD1-O 3.26Å; I1068-F1116 WeakPolarHBondContact CD1-O 3.33Å; I1068-F1116 VanDerWaalsContact CG1-O 3.3Å; I1068-F1116 WeakPolarHBondContact CG1-O 3.33Å; L1097-F1116 VanDerWaalsContact O-CZ 3.31Å; L1097-F1116 WeakPolarHBondContact O-CZ 3.48Å; N1098-F1116 HydrophobicContact CB-CE2 4.12Å; N1098-F1116 HydrophobicContact CB-CZ 4.02Å; I1112-F1116 HydrophobicContact CG2-CB 4.49Å; P1113-F1116 HydrophobicContact CB-CD2 3.91Å; P1113-F1116 HydrophobicContact CB-CE2 4.38Å; P1113-F1116 HydrophobicContact CG-CD2 3.82Å; P1113-F1116 HydrophobicContact CG-CE2 3.82Å; P1113-F1116 PolarHBondContact O-N 3.39Å; D1114-F1116 PolarHBondContact O-N 2.97Å; F1116-Q1120 HydrophobicContact CD1-CB 3.85Å; F1116-Q1120 HydrophobicContact CE1-CB 4.24Å; F1116-Q1120 HydrophobicContact CG-CB 4.44Å; F1116-L1121 HydrophobicContact CB-CD2 4.25Å; F1116-L1121 HydrophobicContact CB-CG 4.38Å; F1116-L1121 HydrophobicContact CD1-CD2 3.56Å; F1116-L1121 HydrophobicContact CD1-CG 4.11Å; F1116-L1121 HydrophobicContact CE1-CD2 4.31Å; F1116-L1121 HydrophobicContact CG-CD2 4.29Å | ||
| 1117 | S | 83.1 | Confident | 85.2 | Confident | 34 Ų | 34 | 58.8 Ų | 58.8 | 24% | 0.238 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -83.3 | 157.6 | 167 | 64.9 | 0 | 0 | 0 | 0 | 111.6 | L1119 Q1120 L1121 | S1117-L1119 PolarHBondContact O-N 2.87Å; S1117-L1119 VanDerWaalsContact O-N 3.16Å; S1117-Q1120 WeakPolarHBondContact O-CB 3.41Å; S1117-Q1120 PolarHBondContact O-N 3.33Å; S1117-Q1120 WeakPolarHBondContact OG-CG 3.2Å; S1117-Q1120 PolarHBondContact OG-N 2.99Å; S1117-Q1120 PolarHBondContact OG-OE1 2.89Å; S1117-L1121 PolarHBondContact O-N 3.05Å; S1117-L1121 VanDerWaalsContact O-N 3.07Å |
| 1118 | V | 83.5 | Confident | 85.9 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.1 | -34.7 | 175.9 | -178.7 | 0 | 0 | 0 | 0 | 112.1 | I1057 N1060 L1121 Q1122 | I1057-V1118 HydrophobicContact CG2-CG1 4.03Å; N1060-V1118 HydrophobicContact CB-CG2 4.1Å; V1118-L1121 PolarHBondContact O-N 3.22Å; V1118-Q1122 WeakPolarHBondContact O-CG 3.14Å; V1118-Q1122 PolarHBondContact O-N 3.32Å |
| 1119 | L | 84.4 | Confident | 86.3 | Confident | 133 Ų | 133 | 53.2 Ų | 53.2 | 70% | 0.696 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -68.4 | -35 | 176.2 | -67.1 | 174 | 0 | 0 | 0 | 112.7 | S1117 A1123 | S1117-L1119 PolarHBondContact O-N 2.87Å; S1117-L1119 VanDerWaalsContact O-N 3.16Å; L1119-A1123 WeakPolarHBondContact O-CB 3.3Å; L1119-A1123 PolarHBondContact O-N 3.03Å |
| 1120 | Q | 85.5 | Confident | 86.2 | Confident | 94 Ų | 94 | 54.9 Ų | 54.9 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -71.1 | -39.9 | 174.9 | -74.9 | 160.2 | -57.6 | 0 | 0 | 111.4 | F1116 S1117 A1123 C1124 | F1116-Q1120 HydrophobicContact CD1-CB 3.85Å; F1116-Q1120 HydrophobicContact CE1-CB 4.24Å; F1116-Q1120 HydrophobicContact CG-CB 4.44Å; S1117-Q1120 WeakPolarHBondContact O-CB 3.41Å; S1117-Q1120 PolarHBondContact O-N 3.33Å; S1117-Q1120 WeakPolarHBondContact OG-CG 3.2Å; S1117-Q1120 PolarHBondContact OG-N 2.99Å; S1117-Q1120 PolarHBondContact OG-OE1 2.89Å; Q1120-A1123 PolarHBondContact O-N 3.41Å; Q1120-C1124 PolarHBondContact O-N 2.86Å; Q1120-C1124 PolarHBondContact O-SG 3Å |
| 1121 | L | 87.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62 | -42.4 | 172.8 | -66.9 | 179.3 | 0 | 0 | 0 | 111.9 | I1053 I1057 I1068 I1112 F1116 S1117 V1118 C1124 V1125 | I1053-L1121 HydrophobicContact CG2-CB 3.87Å; I1053-L1121 HydrophobicContact CG2-CD2 4.03Å; I1053-L1121 HydrophobicContact CG2-CG 4.44Å; I1057-L1121 HydrophobicContact CD1-CB 3.81Å; I1057-L1121 HydrophobicContact CG1-CB 3.67Å; I1057-L1121 HydrophobicContact CG1-CD1 3.99Å; I1068-L1121 HydrophobicContact CD1-CD1 3.74Å; I1068-L1121 HydrophobicContact CD1-CD2 4.46Å; I1068-L1121 HydrophobicContact CD1-CG 4.29Å; I1068-L1121 HydrophobicContact CG1-CD1 4.32Å; I1112-L1121 HydrophobicContact CG2-CD2 3.68Å; F1116-L1121 HydrophobicContact CB-CD2 4.25Å; F1116-L1121 HydrophobicContact CB-CG 4.38Å; F1116-L1121 HydrophobicContact CD1-CD2 3.56Å; F1116-L1121 HydrophobicContact CD1-CG 4.11Å; F1116-L1121 HydrophobicContact CE1-CD2 4.31Å; F1116-L1121 HydrophobicContact CG-CD2 4.29Å; S1117-L1121 PolarHBondContact O-N 3.05Å; S1117-L1121 VanDerWaalsContact O-N 3.07Å; V1118-L1121 PolarHBondContact O-N 3.22Å; L1121-C1124 WeakPolarHBondContact O-CB 3.34Å; L1121-C1124 PolarHBondContact O-N 3.01Å; L1121-V1125 PolarHBondContact O-N 2.94Å |
| 1122 | Q | 88.6 | Confident | 85.5 | Confident | 84 Ų | 84 | 52.8 Ų | 52.8 | 39% | 0.393 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 173.9 | -75.8 | 175.2 | -24.7 | 0 | 0 | 111.6 | I1057 V1118 C1124 V1125 D1126 | I1057-Q1122 HydrophobicContact CD1-CG 3.79Å; V1118-Q1122 WeakPolarHBondContact O-CG 3.14Å; V1118-Q1122 PolarHBondContact O-N 3.32Å; Q1122-C1124 VanDerWaalsContact C-N 3.29Å; Q1122-C1124 PolarHBondContact O-N 3.39Å; Q1122-V1125 WeakPolarHBondContact O-CB 3.41Å; Q1122-V1125 PolarHBondContact O-N 3.07Å; Q1122-V1125 VanDerWaalsContact O-N 3.12Å; Q1122-D1126 PolarHBondContact O-N 3.32Å |
| 1123 | A | 86.7 | Confident | 84.9 | Confident | 44 Ų | 44 | 57.1 Ų | 57.1 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.6 | -33.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1119 Q1120 K1127 | L1119-A1123 WeakPolarHBondContact O-CB 3.3Å; L1119-A1123 PolarHBondContact O-N 3.03Å; Q1120-A1123 PolarHBondContact O-N 3.41Å; A1123-K1127 WeakPolarHBondContact O-CB 3.38Å; A1123-K1127 VanDerWaalsContact O-CG 3.24Å; A1123-K1127 WeakPolarHBondContact O-CG 3.44Å; A1123-K1127 PolarHBondContact O-N 3.22Å |
| 1124 | C | 87.9 | Confident | 84.1 | Confident | 13 Ų | 13 | 61 Ų | 61 | 9% | 0.088 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 172 | -75.8 | 0 | 0 | 0 | 0 | 112.4 | L1097 Q1120 L1121 Q1122 L1128 | L1097-C1124 HydrophobicContact CD2-CB 4.05Å; Q1120-C1124 PolarHBondContact O-N 2.86Å; Q1120-C1124 PolarHBondContact O-SG 3Å; L1121-C1124 WeakPolarHBondContact O-CB 3.34Å; L1121-C1124 PolarHBondContact O-N 3.01Å; Q1122-C1124 VanDerWaalsContact C-N 3.29Å; Q1122-C1124 PolarHBondContact O-N 3.39Å; C1124-L1128 WeakPolarHBondContact O-CB 3.34Å; C1124-L1128 WeakPolarHBondContact O-CG 3.25Å; C1124-L1128 PolarHBondContact O-N 3.21Å |
| 1125 | V | 89.8 | Confident | 82.8 | Confident | 6 Ų | 6 | 59.5 Ų | 59.5 | 4% | 0.036 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 174.6 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | I1050 I1053 I1057 L1121 Q1122 L1128 K1129 | I1050-V1125 HydrophobicContact CG2-CG1 4.21Å; I1053-V1125 HydrophobicContact CB-CG2 3.83Å; I1053-V1125 HydrophobicContact CG2-CG2 3.46Å; I1053-V1125 VanDerWaalsContact CG2-CG2 3.46Å; I1057-V1125 HydrophobicContact CD1-CG2 4.34Å; L1121-V1125 PolarHBondContact O-N 2.94Å; Q1122-V1125 WeakPolarHBondContact O-CB 3.41Å; Q1122-V1125 PolarHBondContact O-N 3.07Å; Q1122-V1125 VanDerWaalsContact O-N 3.12Å; V1125-L1128 PolarHBondContact O-N 3.17Å; V1125-K1129 HydrophobicContact CG1-CD 3.88Å; V1125-K1129 VanDerWaalsContact CG1-CE 3.46Å; V1125-K1129 WeakPolarHBondContact O-CB 3.49Å; V1125-K1129 WeakPolarHBondContact O-CG 3.5Å; V1125-K1129 PolarHBondContact O-N 3.34Å |
| 1126 | D | 88.4 | Confident | 81.6 | Confident | 101 Ų | 101 | 60.4 Ų | 60.4 | 54% | 0.54 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.4 | -44.2 | -179.4 | -68.4 | -23.2 | 0 | 0 | 0 | 111.3 | Q1122 L1128 K1129 E1130 | Q1122-D1126 PolarHBondContact O-N 3.32Å; D1126-L1128 VanDerWaalsContact C-N 3.34Å; D1126-L1128 PolarHBondContact O-N 3.28Å; D1126-K1129 PolarHBondContact O-N 3.11Å; D1126-E1130 WeakPolarHBondContact O-CB 3.19Å; D1126-E1130 PolarHBondContact O-N 2.61Å |
| 1127 | K | 86.3 | Confident | 79.9 | Confident | 123 Ų | 123 | 68.1 Ų | 68.1 | 54% | 0.535 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58 | -42.1 | 172.4 | -78.4 | 176.9 | 177.7 | -173.4 | 0 | 112.9 | L1030 A1123 A1131 | L1030-K1127 HydrophobicContact CD2-CB 3.96Å; A1123-K1127 WeakPolarHBondContact O-CB 3.38Å; A1123-K1127 VanDerWaalsContact O-CG 3.24Å; A1123-K1127 WeakPolarHBondContact O-CG 3.44Å; A1123-K1127 PolarHBondContact O-N 3.22Å; K1127-A1131 VanDerWaalsContact O-CB 3.25Å; K1127-A1131 WeakPolarHBondContact O-CB 3.44Å; K1127-A1131 PolarHBondContact O-N 3.4Å |
| 1128 | L | 87.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.4 | -42 | 177.3 | -77.5 | 171.1 | 0 | 0 | 0 | 111.8 | V1034 L1049 I1050 I1053 L1093 L1097 C1124 V1125 D1126 A1131 C1132 | V1034-L1128 HydrophobicContact CG2-CD2 4.42Å; L1049-L1128 HydrophobicContact CD2-CD1 4.35Å; L1049-L1128 HydrophobicContact CG-CD1 4.5Å; I1050-L1128 HydrophobicContact CD1-CB 4.05Å; I1050-L1128 HydrophobicContact CG1-CB 3.96Å; I1050-L1128 HydrophobicContact CG1-CD1 3.94Å; I1053-L1128 HydrophobicContact CD1-CD1 3.98Å; L1093-L1128 HydrophobicContact CD1-CD2 4.03Å; L1093-L1128 HydrophobicContact CD2-CD2 4.39Å; L1097-L1128 HydrophobicContact CD1-CD1 4.02Å; L1097-L1128 HydrophobicContact CD1-CD2 4.27Å; L1097-L1128 HydrophobicContact CD1-CG 4.43Å; L1097-L1128 HydrophobicContact CD2-CD1 4.35Å; L1097-L1128 HydrophobicContact CD2-CG 4.23Å; C1124-L1128 WeakPolarHBondContact O-CB 3.34Å; C1124-L1128 WeakPolarHBondContact O-CG 3.25Å; C1124-L1128 PolarHBondContact O-N 3.21Å; V1125-L1128 PolarHBondContact O-N 3.17Å; D1126-L1128 VanDerWaalsContact C-N 3.34Å; D1126-L1128 PolarHBondContact O-N 3.28Å; L1128-A1131 PolarHBondContact O-N 3.13Å; L1128-C1132 PolarHBondContact O-N 3.28Å; L1128-C1132 PolarHBondContact O-SG 3Å |
| 1129 | K | 87.4 | Confident | 75.2 | Confident | 101 Ų | 101 | 73.8 Ų | 73.8 | 44% | 0.439 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 176.7 | -74.6 | 171.1 | -179.9 | 167 | 0 | 112.2 | I1050 V1125 D1126 C1132 T1133 | I1050-K1129 HydrophobicContact CD1-CG 4.29Å; V1125-K1129 HydrophobicContact CG1-CD 3.88Å; V1125-K1129 VanDerWaalsContact CG1-CE 3.46Å; V1125-K1129 WeakPolarHBondContact O-CB 3.49Å; V1125-K1129 WeakPolarHBondContact O-CG 3.5Å; V1125-K1129 PolarHBondContact O-N 3.34Å; D1126-K1129 PolarHBondContact O-N 3.11Å; K1129-C1132 WeakPolarHBondContact O-CB 3.35Å; K1129-C1132 PolarHBondContact O-N 2.83Å; K1129-T1133 PolarHBondContact O-N 2.86Å; K1129-T1133 VanDerWaalsContact O-N 3.14Å |
| 1130 | E | 83.9 | Confident | 72.8 | Confident | 130 Ų | 130 | 72.5 Ų | 72.5 | 61% | 0.607 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64.2 | -43.1 | 175.1 | -173.4 | 175.4 | -160 | 0 | 0 | 111.5 | D1126 C1132 T1133 V1134 | D1126-E1130 WeakPolarHBondContact O-CB 3.19Å; D1126-E1130 PolarHBondContact O-N 2.61Å; E1130-C1132 VanDerWaalsContact C-N 3.26Å; E1130-C1132 PolarHBondContact O-N 3.3Å; E1130-T1133 PolarHBondContact O-N 3.44Å; E1130-T1133 VanDerWaalsContact O-N 3.14Å; E1130-T1133 PolarHBondContact O-OG1 3.12Å; E1130-V1134 WeakPolarHBondContact O-CG2 3.38Å; E1130-V1134 PolarHBondContact O-N 2.65Å |
| 1131 | A | 80.8 | Confident | 70.3 | Confident | 2 Ų | 2 | 76.8 Ų | 76.8 | 2% | 0.017 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -61.3 | -34.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1030 V1034 K1127 L1128 G1135 | L1030-A1131 HydrophobicContact CD2-CB 4.34Å; V1034-A1131 HydrophobicContact CB-CB 3.92Å; V1034-A1131 HydrophobicContact CG1-CB 4.05Å; V1034-A1131 HydrophobicContact CG2-CB 3.77Å; K1127-A1131 VanDerWaalsContact O-CB 3.25Å; K1127-A1131 WeakPolarHBondContact O-CB 3.44Å; K1127-A1131 PolarHBondContact O-N 3.4Å; L1128-A1131 PolarHBondContact O-N 3.13Å; A1131-G1135 PolarHBondContact O-N 3.29Å |
| 1132 | C | 82.3 | Confident | 67.4 | Low | 28 Ų | 28 | 80.7 Ų | 80.7 | 19% | 0.189 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -69.4 | -31.2 | 174.7 | -69.4 | 0 | 0 | 0 | 0 | 113.5 | L1128 K1129 E1130 | L1128-C1132 PolarHBondContact O-N 3.28Å; L1128-C1132 PolarHBondContact O-SG 3Å; K1129-C1132 WeakPolarHBondContact O-CB 3.35Å; K1129-C1132 PolarHBondContact O-N 2.83Å; E1130-C1132 VanDerWaalsContact C-N 3.26Å; E1130-C1132 PolarHBondContact O-N 3.3Å |
| 1133 | T | 76.2 | Confident | 64.6 | Low | 90 Ų | 90 | 82.5 Ų | 82.5 | 55% | 0.552 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -76.2 | -49.2 | 174.9 | 58.1 | 0 | 0 | 0 | 0 | 111.3 | K1129 E1130 G1135 N1136 | K1129-T1133 PolarHBondContact O-N 2.86Å; K1129-T1133 VanDerWaalsContact O-N 3.14Å; E1130-T1133 PolarHBondContact O-N 3.44Å; E1130-T1133 VanDerWaalsContact O-N 3.14Å; E1130-T1133 PolarHBondContact O-OG1 3.12Å; T1133-G1135 VanDerWaalsContact C-N 3.3Å; T1133-G1135 PolarHBondContact O-N 3.02Å; T1133-N1136 PolarHBondContact O-N 3.19Å; T1133-N1136 VanDerWaalsContact O-N 3.14Å |
| 1134 | V | 68.7 | Low | 61.9 | Low | 83 Ų | 83 | 85 Ų | 85 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -36.7 | -179.3 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | P1031 E1130 N1136 | P1031-V1134 HydrophobicContact CB-CG1 4.27Å; E1130-V1134 WeakPolarHBondContact O-CG2 3.38Å; E1130-V1134 PolarHBondContact O-N 2.65Å; V1134-N1136 PolarHBondContact O-N 2.95Å; V1134-N1136 VanDerWaalsContact O-N 3.11Å |
| 1135 | G | 56.9 | Low | 59.1 | Low | 32 Ų | 32 | 89.3 Ų | 89.3 | 33% | 0.33 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63 | -14.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A1131 T1133 | A1131-G1135 PolarHBondContact O-N 3.29Å; T1133-G1135 VanDerWaalsContact C-N 3.3Å; T1133-G1135 PolarHBondContact O-N 3.02Å |
| 1136 | N | 55 | Low | 56.3 | Low | 123 Ų | 123 | 95.3 Ų | 95.3 | 66% | 0.658 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -100.7 | -25.6 | -174.3 | -142.5 | 11.4 | 0 | 0 | 0 | 113.7 | T1133 V1134 | T1133-N1136 PolarHBondContact O-N 3.19Å; T1133-N1136 VanDerWaalsContact O-N 3.14Å; V1134-N1136 PolarHBondContact O-N 2.95Å; V1134-N1136 VanDerWaalsContact O-N 3.11Å |
| 1137 | E | 47.7 | Very low | 53.4 | Low | 175 Ų | 175 | 98.3 Ų | 98.3 | 82% | 0.818 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -97.3 | -15.1 | -172.4 | -61.5 | -161.8 | 154.1 | 0 | 0 | 114.9 | S1139 | E1137-S1139 VanDerWaalsContact C-N 3.25Å; E1137-S1139 PolarHBondContact O-N 3.48Å |
| 1138 | G | 36 | Very low | 50.7 | Low | 76 Ų | 76 | 101.6 Ų | 101.6 | 78% | 0.784 | 63% | 0.628 | S | S | * | * | trans | -75.9 | 45.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1139 | S | 32.1 | Very low | 47.9 | Very low | 111 Ų | 111 | 105.1 Ų | 105.1 | 78% | 0.776 | 65% | 0.652 | S | S | * | * | trans | -124.3 | 45.2 | -174.7 | 58.4 | 0 | 0 | 0 | 0 | 115.9 | E1137 | E1137-S1139 VanDerWaalsContact C-N 3.25Å; E1137-S1139 PolarHBondContact O-N 3.48Å | ||
| 1140 | S | 32.7 | Very low | 45.2 | Very low | 107 Ų | 107 | 109.5 Ų | 109.5 | 75% | 0.748 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -143.4 | 154 | 154.6 | 82.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1141 | M | 33.1 | Very low | 42.5 | Very low | 184 Ų | 184 | 107.9 Ų | 107.9 | 91% | 0.906 | 68% | 0.675 | S | S | * | * | trans | 71.5 | 93.6 | -164.8 | -56 | -69.3 | -77.7 | 0 | 0 | 113.9 | ||||
| 1142 | G | 26.9 | Very low | 40.2 | Very low | 82 Ų | 82 | 114 Ų | 114 | 85% | 0.845 | 71% | 0.714 | S | S | * | * | trans | -96.7 | 142.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1143 | P | 30.7 | Very low | 37.7 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | trans | -102.6 | 144.6 | 156.8 | 25.6 | -12 | 0 | 0 | 0 | 112 | ||||
| 1144 | A | 30.7 | Very low | 35.5 | Very low | 95 Ų | 95 | 119.7 Ų | 119.7 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | 35.7 | 113.2 | 155.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | V1146 | A1144-V1146 PolarHBondContact O-N 3.16Š| ||
| 1145 | A | 27.8 | Very low | 33.7 | Very low | 104 Ų | 104 | 125 Ų | 125 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 127.6 | 161 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1146 | V | 31.7 | Very low | 32.4 | Very low | 133 Ų | 133 | 134 Ų | 134 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 118.5 | 157.2 | 177.8 | 0 | 0 | 0 | 0 | 107.1 | A1144 L1148 | A1144-V1146 PolarHBondContact O-N 3.16Å; V1146-L1148 PolarHBondContact O-N 2.9Å |
| 1147 | E | 27.3 | Very low | 31.3 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 117.4 | -178.2 | -62.5 | -171.2 | 134.6 | 0 | 0 | 110.9 | S1149 | E1147-S1149 PolarHBondContact O-N 3.32Š|
| 1148 | L | 28.7 | Very low | 30.5 | Very low | 192 Ų | 192 | 139.7 Ų | 139.7 | 100% | 1.005 | 80% | 0.801 | S | S | * | * | trans | -71.7 | 67.6 | 158.1 | -89.1 | 119.8 | 0 | 0 | 0 | 109.6 | V1146 | V1146-L1148 PolarHBondContact O-N 2.9Š| ||
| 1149 | S | 29.6 | Very low | 30.5 | Very low | 74 Ų | 74 | 144 Ų | 144 | 52% | 0.517 | 81% | 0.805 | S | S | . | * | trans | -93.6 | 107.6 | 178.5 | 77.2 | 0 | 0 | 0 | 0 | 111.6 | E1147 | E1147-S1149 PolarHBondContact O-N 3.32Š| ||
| 1150 | K | 31 | Very low | 30.6 | Very low | 194 Ų | 194 | 142.6 Ų | 142.6 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | 62.8 | 122.2 | 143.7 | -61.1 | 168.9 | -175.4 | 166.4 | 0 | 118 | ||||
| 1151 | S | 27.5 | Very low | 30.6 | Very low | 96 Ų | 96 | 142.4 Ų | 142.4 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | trans | -39.2 | 140.5 | 160.7 | 46.9 | 0 | 0 | 0 | 0 | 114.2 | T1153 | S1151-T1153 PolarHBondContact O-N 3.49Š| ||
| 1152 | P | 31 | Very low | 30.6 | Very low | 130 Ų | 130 | 141 Ų | 141 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | trans | -71.6 | 94.8 | 168.6 | 30 | -32.7 | 0 | 0 | 0 | 109.6 | ||||
| 1153 | T | 29.8 | Very low | 31.1 | Very low | 108 Ų | 108 | 143.8 Ų | 143.8 | 66% | 0.663 | 79% | 0.79 | S | S | * | * | trans | -61.1 | 135.9 | 161.9 | 43.9 | 0 | 0 | 0 | 0 | 109.5 | S1151 K1155 | S1151-T1153 PolarHBondContact O-N 3.49Å; T1153-K1155 PolarHBondContact O-N 2.89Å | ||
| 1154 | P | 31.3 | Very low | 31.3 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -66.2 | 109.8 | -179.1 | 26.6 | -33.7 | 0 | 0 | 0 | 110.2 | R1156 | P1154-R1156 PolarHBondContact O-N 2.9Å; P1154-R1156 VanDerWaalsContact O-N 3.14Å | ||
| 1155 | K | 31 | Very low | 31.6 | Very low | 194 Ų | 194 | 142.7 Ų | 142.7 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -69.8 | 109.4 | 175.3 | -77.3 | -178.8 | 178.7 | 172.9 | 0 | 109.5 | T1153 F1157 | T1153-K1155 PolarHBondContact O-N 2.89Å; K1155-F1157 PolarHBondContact O-N 3.23Å | ||
| 1156 | R | 29.7 | Very low | 32 | Very low | 223 Ų | 223 | 144.7 Ų | 144.7 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 120.1 | 163.1 | -86 | 173.8 | 158.1 | 163.9 | -7 | 110.4 | P1154 R1158 | P1154-R1156 PolarHBondContact O-N 2.9Å; P1154-R1156 VanDerWaalsContact O-N 3.14Å; R1156-R1158 PolarHBondContact O-N 2.9Å |
| 1157 | F | 32.4 | Very low | 32.3 | Very low | 202 Ų | 202 | 146.9 Ų | 146.9 | 89% | 0.886 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 117.5 | 154 | -97.8 | -94.2 | 0 | 0 | 0 | 108.7 | K1155 | K1155-F1157 PolarHBondContact O-N 3.23Š|
| 1158 | R | 29.1 | Very low | 32.6 | Very low | 215 Ų | 215 | 147 Ų | 147 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 130.3 | 163.2 | -84.1 | 178.6 | 166.1 | 165.4 | -6.8 | 107.8 | R1156 | R1156-R1158 PolarHBondContact O-N 2.9Š|
| 1159 | I | 36 | Very low | 32.8 | Very low | 166 Ų | 166 | 144 Ų | 144 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | -105.8 | 140.4 | 160.4 | -63.8 | 176.6 | 0 | 0 | 0 | 106.5 | ||||
| 1160 | A | 34.4 | Very low | 32.9 | Very low | 82 Ų | 82 | 147.6 Ų | 147.6 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | -97.6 | 168.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1161 | S | 33.1 | Very low | 32.6 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | 67.1 | 146.3 | 165.3 | 54.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1162 | D | 33.8 | Very low | 32.8 | Very low | 154 Ų | 154 | 146 Ų | 146 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | cis | -174 | 158.1 | -19.3 | -91.4 | -26.3 | 0 | 0 | 0 | 106 | ||||
| 1163 | D | 36 | Very low | 32.7 | Very low | 142 Ų | 142 | 146.6 Ų | 146.6 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | cis | -164.6 | 170.1 | -17.6 | 179.6 | 32.3 | 0 | 0 | 0 | 107.7 | ||||
| 1164 | S | 35.6 | Very low | 32.7 | Very low | 103 Ų | 103 | 146.9 Ų | 146.9 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | 65.3 | 157.9 | 178.9 | 77.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1165 | S | 36.3 | Very low | 32.5 | Very low | 90 Ų | 90 | 146.2 Ų | 146.2 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | cis | -170.1 | 142 | -31.1 | 51.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1166 | D | 37.4 | Very low | 32.7 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | 69.9 | 143.7 | 150.8 | -53.5 | -26.3 | 0 | 0 | 0 | 123.3 | ||||
| 1167 | E | 36.4 | Very low | 32.8 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | trans | 60 | 109.6 | 159.7 | -67.2 | 177.6 | -164.9 | 0 | 0 | 119.1 | ||||
| 1168 | E | 34.4 | Very low | 32.8 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | 79 | 120.3 | 71.6 | -81.1 | -152.8 | -178.3 | 0 | 0 | 116.2 | |||||
| 1169 | N | 32.6 | Very low | 33 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | trans | 79.8 | 136.7 | 140.4 | -78.4 | -44.9 | 0 | 0 | 0 | 122.6 | ||||
| 1170 | I | 32.7 | Very low | 32.8 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | 82.7 | 88.6 | 154.7 | -57 | 148.1 | 0 | 0 | 0 | 118.9 | ||||
| 1171 | C | 24.5 | Very low | 32.7 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 75% | 0.75 | 78% | 0.778 | S | S | * | * | 28.8 | 139.7 | 113.7 | -78.6 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1172 | I | 31.2 | Very low | 32.5 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | 105.1 | 109.9 | 147.5 | -66 | 148.6 | 0 | 0 | 0 | 118.4 | ||||
| 1173 | N | 28.6 | Very low | 32.3 | Very low | 142 Ų | 142 | 141.3 Ų | 141.3 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | 37.5 | 123.8 | 143.9 | -53.4 | -10.8 | 0 | 0 | 0 | 120.4 | ||||
| 1174 | S | 31.3 | Very low | 31.9 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | 165.8 | 135.3 | 88.3 | 51.8 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1175 | S | 27.2 | Very low | 31.7 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 1.9 | 121.5 | 150.7 | -45.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1176 | S | 33.6 | Very low | 31.2 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | -178.7 | 151.8 | 115.7 | 49 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1177 | K | 31.4 | Very low | 30.9 | Very low | 196 Ų | 196 | 145.5 Ų | 145.5 | 85% | 0.852 | 82% | 0.815 | S | S | * | * | trans | -46.3 | 150.7 | 179.2 | -56.8 | 163.8 | 177.5 | 176.6 | 0 | 115.8 | ||||
| 1178 | I | 33.7 | Very low | 30.5 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | -169.1 | 164.9 | 120.6 | -94.3 | 152.6 | 0 | 0 | 0 | 109.7 | |||||
| 1179 | E | 33.3 | Very low | 30.2 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 74% | 0.738 | 81% | 0.812 | S | S | * | * | trans | -96.5 | 168.9 | -151.5 | -51.8 | 167.9 | 141.2 | 0 | 0 | 116.4 | ||||
| 1180 | N | 31.3 | Very low | 30 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 75% | 0.754 | 82% | 0.821 | S | S | * | * | trans | 67 | 107.3 | 150.3 | -59.4 | -32.3 | 0 | 0 | 0 | 120.4 | ||||
| 1181 | S | 33 | Very low | 29.8 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | -177 | 163.5 | 105.5 | 39.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1182 | E | 27.8 | Very low | 29.9 | Very low | 192 Ų | 192 | 139.3 Ų | 139.3 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | trans | -82 | 138.5 | -166.5 | -56.1 | 162.5 | 131.9 | 0 | 0 | 113.4 | ||||
| 1183 | S | 30.6 | Very low | 29.7 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -174.5 | 148.8 | 136.8 | 36 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1184 | A | 27.3 | Very low | 29.7 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -86.8 | 128.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1185 | A | 31 | Very low | 29.5 | Very low | 98 Ų | 98 | 137.3 Ų | 137.3 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -143.1 | 147 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1186 | F | 26.7 | Very low | 29.4 | Very low | 205 Ų | 205 | 140.2 Ų | 140.2 | 90% | 0.899 | 80% | 0.8 | S | S | * | * | trans | -108.4 | 94.9 | -164.5 | -175 | -86 | 0 | 0 | 0 | 109.6 | ||||
| 1187 | D | 29.9 | Very low | 29.1 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -121.2 | 96.7 | 176 | -94.4 | -38.6 | 0 | 0 | 0 | 111.7 | N1189 | D1187-N1189 VanDerWaalsContact C-N 3.29Å; D1187-N1189 PolarHBondContact O-N 3.41Å | ||
| 1188 | G | 27.9 | Very low | 28.9 | Very low | 69 Ų | 69 | 138.8 Ų | 138.8 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | -79.5 | 66.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1190 | G1188-F1190 VanDerWaalsContact C-N 3.27Å; G1188-F1190 PolarHBondContact O-N 2.94Å | ||
| 1189 | N | 27.9 | Very low | 28.6 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -82.6 | 68 | 178.7 | -133.5 | -9.4 | 0 | 0 | 0 | 111.5 | D1187 S1191 | D1187-N1189 VanDerWaalsContact C-N 3.29Å; D1187-N1189 PolarHBondContact O-N 3.41Å; N1189-S1191 PolarHBondContact O-N 3.47Å | ||
| 1190 | F | 29.6 | Very low | 28.5 | Very low | 201 Ų | 201 | 138 Ų | 138 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | -78.6 | 69.6 | 179.4 | -116.2 | -83.3 | 0 | 0 | 0 | 111.9 | G1188 A1192 | G1188-F1190 VanDerWaalsContact C-N 3.27Å; G1188-F1190 PolarHBondContact O-N 2.94Å; F1190-A1192 PolarHBondContact O-N 2.9Å | ||
| 1191 | S | 27.5 | Very low | 28.3 | Very low | 80 Ų | 80 | 135.9 Ų | 135.9 | 56% | 0.559 | 78% | 0.78 | S | S | * | * | trans | -58.3 | 125.9 | 161.9 | 64.8 | 0 | 0 | 0 | 0 | 109.1 | N1189 N1193 | N1189-S1191 PolarHBondContact O-N 3.47Å; S1191-N1193 PolarHBondContact O-N 3.16Å | ||
| 1192 | A | 27.6 | Very low | 28.2 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -76 | 54.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1190 I1194 | F1190-A1192 PolarHBondContact O-N 2.9Å; A1192-I1194 PolarHBondContact O-N 3.02Å | ||
| 1193 | N | 26.5 | Very low | 28.5 | Very low | 129 Ų | 129 | 135 Ų | 135 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | trans | -88.9 | 92.7 | 169.4 | -82.1 | -21.9 | 0 | 0 | 0 | 109.1 | S1191 S1195 | S1191-N1193 PolarHBondContact O-N 3.16Å; N1193-S1195 PolarHBondContact O-N 3.22Å | ||
| 1194 | I | 27.9 | Very low | 28.8 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -74.5 | 75.4 | 157.4 | -57.7 | 178.2 | 0 | 0 | 0 | 106.6 | A1192 F1196 | A1192-I1194 PolarHBondContact O-N 3.02Å; I1194-F1196 PolarHBondContact O-N 3.3Å; I1194-F1196 VanDerWaalsContact O-N 3.15Å | ||
| 1195 | S | 26.8 | Very low | 29.4 | Very low | 82 Ų | 82 | 138.5 Ų | 138.5 | 57% | 0.573 | 77% | 0.765 | S | S | * | * | trans | -74 | 100.2 | 173 | 55.9 | 0 | 0 | 0 | 0 | 108.9 | N1193 Q1197 | N1193-S1195 PolarHBondContact O-N 3.22Å; S1195-Q1197 PolarHBondContact O-N 3.28Å | ||
| 1196 | F | 26.1 | Very low | 29.6 | Very low | 176 Ų | 176 | 141.1 Ų | 141.1 | 77% | 0.772 | 77% | 0.765 | S | S | * | * | trans | -65.7 | 90.4 | 157.5 | -111 | -93 | 0 | 0 | 0 | 107.6 | I1194 | I1194-F1196 PolarHBondContact O-N 3.3Å; I1194-F1196 VanDerWaalsContact O-N 3.15Å | ||
| 1197 | Q | 27.4 | Very low | 30.3 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 71% | 0.71 | 76% | 0.762 | S | S | * | * | trans | -128.9 | 114.6 | 172.4 | -83.6 | -173.3 | -20 | 0 | 0 | 111 | S1195 | S1195-Q1197 PolarHBondContact O-N 3.28Š| ||
| 1198 | N | 27.4 | Very low | 30.9 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 54.7 | 109.3 | 136.1 | -53.1 | -13 | 0 | 0 | 0 | 118.4 | ||||
| 1199 | F | 27.7 | Very low | 31.1 | Very low | 215 Ų | 215 | 148 Ų | 148 | 94% | 0.943 | 79% | 0.786 | S | S | * | * | trans | -141.4 | 86.9 | 135.7 | -113.8 | -79.1 | 0 | 0 | 0 | 109.4 | ||||
| 1200 | V | 29.8 | Very low | 31.3 | Very low | 101 Ų | 101 | 147.6 Ų | 147.6 | 61% | 0.612 | 78% | 0.784 | S | S | * | * | trans | -107.1 | 136.2 | 156.6 | 171.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1201 | S | 27.6 | Very low | 31.3 | Very low | 95 Ų | 95 | 144.7 Ų | 144.7 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | trans | 13.4 | 134.8 | 164.5 | -44.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1202 | D | 32 | Very low | 31.6 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | -144.3 | 156.4 | 118.3 | -96.9 | -28 | 0 | 0 | 0 | 109.2 | |||||
| 1203 | D | 32.5 | Very low | 31.8 | Very low | 141 Ų | 141 | 151.5 Ų | 151.5 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -82.8 | -172.7 | -168.5 | -71.8 | -62.4 | 0 | 0 | 0 | 113.7 | ||||
| 1204 | D | 37.4 | Very low | 32.2 | Very low | 148 Ų | 148 | 153 Ų | 153 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 124 | 133.9 | 144.6 | -63.1 | -24.9 | 0 | 0 | 0 | 118.5 | ||||
| 1205 | D | 40.1 | Very low | 32.5 | Very low | 157 Ų | 157 | 153.3 Ų | 153.3 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | 77 | 121 | 155.8 | -61.6 | -23.4 | 0 | 0 | 0 | 123.4 | ||||
| 1206 | D | 35.7 | Very low | 32.9 | Very low | 153 Ų | 153 | 158.8 Ų | 158.8 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -65.2 | -175.6 | 178.2 | -75.2 | -58.4 | 0 | 0 | 0 | 116.9 | ||||
| 1207 | D | 40.6 | Very low | 33.5 | Very low | 154 Ų | 154 | 157.3 Ų | 157.3 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | trans | 78 | 78.1 | 157.4 | -70.9 | -18.3 | 0 | 0 | 0 | 120.3 | ||||
| 1208 | Q | 43.6 | Very low | 34 | Very low | 274 Ų | 274 | 157.8 Ų | 157.8 | 100% | 1.28 | 83% | 0.829 | S | S | * | * | -175.7 | 0 | 110.1 | -100.2 | 179.1 | 28.9 | 0 | 0 | 115 |
Retrieved 1,208 of 1,208 residues in 6965.9 ms
(Link to these results)