| 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 | 51.8 | Low | 51 | Low | 239 Ų | 239 | 149.2 Ų | 149.2 | 100% | 1.177 | 82% | 0.82 | S | S | * | * | 0 | 89 | 0 | -74.4 | 154.6 | 155 | 0 | 0 | 106.7 | |||||
| 2 | S | 52.7 | Low | 51.5 | Low | 117 Ų | 117 | 144.3 Ų | 144.3 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -88 | 109.7 | -173.7 | -44.3 | 0 | 0 | 0 | 0 | 108.4 | R4 | S2-R4 PolarHBondContact O-N 3.2Å; S2-R4 VanDerWaalsContact O-N 3.15Å | ||
| 3 | D | 52.4 | Low | 51.7 | Low | 162 Ų | 162 | 136.3 Ų | 136.3 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | -58.4 | 115.5 | 173.2 | -118.9 | -94.1 | 0 | 0 | 0 | 109.1 | G5 | D3-G5 VanDerWaalsContact C-N 3.28Å; D3-G5 PolarHBondContact O-N 3.24Å | ||
| 4 | R | 53.6 | Low | 52.1 | Low | 239 Ų | 239 | 139.6 Ų | 139.6 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -70.4 | 88.9 | 174.9 | -68.6 | 178.7 | 178.8 | -176.6 | -1.1 | 107.4 | S2 G6 | S2-R4 PolarHBondContact O-N 3.2Å; S2-R4 VanDerWaalsContact O-N 3.15Å; R4-G6 PolarHBondContact O-N 3.4Å | ||
| 5 | G | 47.9 | Very low | 53.2 | Low | 77 Ų | 77 | 138 Ų | 138 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -47.6 | 112.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | D3 | D3-G5 VanDerWaalsContact C-N 3.28Å; D3-G5 PolarHBondContact O-N 3.24Å | ||
| 6 | G | 45.9 | Very low | 54.7 | Low | 68 Ų | 68 | 131.8 Ų | 131.8 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | -57.3 | 142 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R4 G8 | R4-G6 PolarHBondContact O-N 3.4Å; G6-G8 PolarHBondContact O-N 3.48Å | ||
| 7 | H | 42.6 | Very low | 56.4 | Low | 185 Ų | 185 | 124.6 Ų | 124.6 | 86% | 0.856 | 72% | 0.718 | S | S | * | * | trans | -36 | 117.6 | 168.2 | -61.8 | -83.1 | 0 | 0 | 0 | 112.2 | R9 | H7-R9 PolarHBondContact O-N 3.4Š| ||
| 8 | G | 44.9 | Very low | 57.9 | Low | 75 Ų | 75 | 117.8 Ų | 117.8 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | trans | -55.7 | 103.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | G6 E10 | G6-G8 PolarHBondContact O-N 3.48Å; G8-E10 VanDerWaalsContact C-N 3.35Å; G8-E10 PolarHBondContact O-N 3.46Å | ||
| 9 | R | 54.1 | Low | 59.5 | Low | 240 Ų | 240 | 114.9 Ų | 114.9 | 91% | 0.906 | 66% | 0.664 | S | S | * | * | trans | -59.4 | 103.7 | 169.5 | -83.1 | 178.5 | 163.5 | -176.7 | -4.7 | 106.4 | H7 | H7-R9 PolarHBondContact O-N 3.4Š| ||
| 10 | E | 57.7 | Low | 60.9 | Low | 179 Ų | 179 | 113.2 Ų | 113.2 | 84% | 0.836 | 65% | 0.652 | S | S | * | * | trans | -48.1 | 127.1 | 165.4 | -94.6 | -155 | 91.3 | 0 | 0 | 108 | G8 A12 | G8-E10 VanDerWaalsContact C-N 3.35Å; G8-E10 PolarHBondContact O-N 3.46Å; E10-A12 VanDerWaalsContact C-N 3.35Å; E10-A12 PolarHBondContact O-N 3.34Å | ||
| 11 | P | 57.3 | Low | 62.3 | Low | 60 Ų | 60 | 111.8 Ų | 111.8 | 39% | 0.39 | 64% | 0.64 | S | S | . | * | trans | -70.4 | 98.1 | 178 | 23.8 | -28.2 | 0 | 0 | 0 | 109.7 | G13 Y43 | P11-G13 PolarHBondContact O-N 3.25Å; P11-Y43 HydrophobicContact CB-CE1 4.04Å; P11-Y43 HydrophobicContact CB-CE2 4.38Å; P11-Y43 WeakPolarHBondContact CB-OH 3.39Å; P11-Y43 HydrophobicContact CG-CE1 4.16Å; P11-Y43 HydrophobicContact CG-CE2 4.31Å | ||
| 12 | A | 56.6 | Low | 64.1 | Low | 91 Ų | 91 | 101.8 Ų | 101.8 | 75% | 0.752 | 59% | 0.593 | S | S | * | * | trans | -58.5 | 124.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E10 | E10-A12 VanDerWaalsContact C-N 3.35Å; E10-A12 PolarHBondContact O-N 3.34Å | ||
| 13 | G | 54.2 | Low | 66 | Low | 40 Ų | 40 | 98.7 Ų | 98.7 | 41% | 0.412 | 57% | 0.567 | S | S | . | * | trans | -170.9 | 131.5 | 162 | 0 | 0 | 0 | 0 | 0 | 107.7 | P11 D15 G16 | P11-G13 PolarHBondContact O-N 3.25Å; G13-D15 PolarHBondContact O-N 3.27Å; G13-G16 PolarHBondContact O-N 3.34Å; G13-G16 VanDerWaalsContact O-N 3.07Å | ||
| 14 | L | 58 | Low | 67.9 | Low | 183 Ų | 183 | 91.8 Ų | 91.8 | 96% | 0.958 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -12.5 | -172.6 | -73.1 | 152.9 | 0 | 0 | 0 | 115 | ||
| 15 | D | 68.8 | Low | 69.7 | Low | 115 Ų | 115 | 85.1 Ų | 85.1 | 62% | 0.615 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.4 | 12 | -175.8 | -56.9 | -70.1 | 0 | 0 | 0 | 114.3 | G13 L17 | G13-D15 PolarHBondContact O-N 3.27Å; D15-L17 VanDerWaalsContact C-N 3.33Å; D15-L17 HydrophobicContact CB-CD1 3.75Å; D15-L17 PolarHBondContact O-N 3.17Å |
| 16 | G | 77.3 | Confident | 71.9 | Confident | 38 Ų | 38 | 81.5 Ų | 81.5 | 39% | 0.392 | 47% | 0.473 | S | S | . | . | S | Bend | trans | 64.3 | 39.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G13 Y43 | G13-G16 PolarHBondContact O-N 3.34Å; G13-G16 VanDerWaalsContact O-N 3.07Å; G16-Y43 WeakPolarHBondContact O-CD1 3.42Å |
| 17 | L | 82.2 | Confident | 74.3 | Confident | 11 Ų | 11 | 82 Ų | 82 | 6% | 0.058 | 46% | 0.457 | C | S | . | . | trans | -125.2 | 144 | 178.7 | -87.8 | 128.3 | 0 | 0 | 0 | 110.1 | D15 V86 M88 | D15-L17 VanDerWaalsContact C-N 3.33Å; D15-L17 HydrophobicContact CB-CD1 3.75Å; D15-L17 PolarHBondContact O-N 3.17Å; L17-V86 HydrophobicContact CD1-CG1 4.2Å; L17-V86 HydrophobicContact CD2-CG1 3.52Å; L17-V86 HydrophobicContact CG-CG1 4.41Å; L17-M88 HydrophobicContact CD2-CE 4.09Å; L17-M88 HydrophobicContact CD2-CG 4.03Å; L17-M88 HydrophobicContact CD2-SD 3.66Å | ||
| 18 | P | 84.8 | Confident | 76.8 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.006 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 150.2 | 177.2 | 27.2 | -34.1 | 0 | 0 | 0 | 111.4 | L40 Y43 V76 M88 | P18-L40 HydrophobicContact CG-CD1 3.98Å; P18-Y43 VanDerWaalsContact CA-CE1 3.48Å; P18-Y43 WeakPolarHBondContact CA-OH 3.5Å; P18-Y43 HydrophobicContact CB-CE1 3.88Å; P18-Y43 HydrophobicContact CB-CE2 4.05Å; P18-Y43 WeakPolarHBondContact CB-OH 3.41Å; P18-Y43 VanDerWaalsContact CD-CD1 3.5Å; P18-Y43 HydrophobicContact CG-CE1 4.33Å; P18-V76 HydrophobicContact CB-CG2 4.01Å; P18-V76 HydrophobicContact CG-CG2 3.91Å; P18-M88 HydrophobicContact CG-CE 3.25Å |
| 19 | P | 87.2 | Confident | 79.2 | Confident | 63 Ų | 63 | 72.4 Ų | 72.4 | 41% | 0.409 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 154.8 | 171.6 | 16.1 | -16.6 | 0 | 0 | 0 | 111.5 | S22 | P19-S22 PolarHBondContact O-N 3.22Å; P19-S22 PolarHBondContact O-OG 2.79Å |
| 20 | L | 88.8 | Confident | 81.1 | Confident | 81 Ų | 81 | 63.2 Ų | 63.2 | 42% | 0.424 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 142.9 | 173.8 | -72.5 | 171.7 | 0 | 0 | 0 | 110 | S22 V76 R79 | L20-S22 PolarHBondContact O-N 3.42Å; L20-S22 VanDerWaalsContact O-N 3.16Å; L20-V76 HydrophobicContact CD2-CG1 4.41Å; L20-R79 HydrophobicContact CD2-CB 4.12Å; L20-R79 HydrophobicContact CD2-CG 3.81Å; L20-R79 HydrophobicContact CG-CG 4.29Å |
| 21 | H | 89.7 | Confident | 82.9 | Confident | 84 Ų | 84 | 56 Ų | 56 | 39% | 0.389 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 9.3 | -180 | -46.2 | -59.3 | 0 | 0 | 0 | 115.9 | V76 N107 | H21-V76 WeakPolarHBondContact CA-O 3.33Å; H21-V76 PolarHBondContact N-O 3.1Å; H21-N107 PolarHBondContact ND1-ND2 2.93Å; H21-N107 PolarHBondContact ND1-OD1 3.17Å |
| 22 | S | 90.3 | Very high | 84.7 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | trans | -72.6 | 146.9 | 172.1 | 66.1 | 0 | 0 | 0 | 0 | 111.5 | P19 L20 K75 V76 | P19-S22 PolarHBondContact O-N 3.22Å; P19-S22 PolarHBondContact O-OG 2.79Å; L20-S22 PolarHBondContact O-N 3.42Å; L20-S22 VanDerWaalsContact O-N 3.16Å; S22-K75 WeakPolarHBondContact O-CA 3.46Å; S22-V76 PolarHBondContact O-N 3.47Å | ||
| 23 | I | 91.4 | Very high | 86.3 | Confident | 52 Ų | 52 | 56.7 Ų | 56.7 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 132.9 | 169.9 | -63.5 | 173.8 | 0 | 0 | 0 | 108.5 | W73 I74 K75 V95 D102 | I23-W73 HydrophobicContact CG2-CE3 3.75Å; I23-W73 HydrophobicContact CG2-CZ3 4.24Å; I23-I74 WeakPolarHBondContact CA-O 3.34Å; I23-K75 HydrophobicContact CG1-CB 4.38Å; I23-K75 HydrophobicContact CG1-CG 4.43Å; I23-V95 HydrophobicContact CD1-CG1 4.21Å; I23-V95 HydrophobicContact CD1-CG2 4.08Å; I23-V95 HydrophobicContact CG1-CG2 3.97Å; I23-V95 HydrophobicContact CG2-CG1 3.89Å; I23-V95 HydrophobicContact CG2-CG2 4.31Å; I23-D102 HydrophobicContact CD1-CB 3.48Å; I23-D102 VanDerWaalsContact CD1-CB 3.48Å |
| 24 | A | 91.7 | Very high | 88 | Confident | 18 Ų | 18 | 59.2 Ų | 59.2 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 153.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | L40 I74 | A24-L40 HydrophobicContact CB-CD1 4.35Å; A24-L40 HydrophobicContact CB-CD2 3.57Å; A24-I74 PolarHBondContact N-O 2.83Å; A24-I74 WeakPolarHBondContact O-CG1 3.44Å; A24-I74 PolarHBondContact O-N 2.93Å |
| 25 | K | 93.1 | Very high | 89.7 | Confident | 99 Ų | 99 | 50.5 Ų | 50.5 | 43% | 0.43 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 126.6 | 172.1 | -165.6 | 176.3 | -174.9 | -178.2 | 0 | 108.3 | P41 V72 W73 | K25-P41 WeakPolarHBondContact O-CD 3.33Å; K25-V72 WeakPolarHBondContact CA-O 3.37Å; K25-W73 HydrophobicContact CB-CD2 4.28Å; K25-W73 HydrophobicContact CB-CE3 4.07Å; K25-W73 HydrophobicContact CB-CH2 4.29Å; K25-W73 HydrophobicContact CB-CZ2 4.48Å; K25-W73 HydrophobicContact CB-CZ3 4.08Å; K25-W73 HydrophobicContact CD-CZ2 4.13Å; K25-W73 HydrophobicContact CG-CD2 4.41Å |
| 26 | G | 94.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 162.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R39 H71 V72 | G26-R39 CarbonylContact C-O 3.59Å; G26-R39 VanDerWaalsContact CA-O 3.23Å; G26-R39 WeakPolarHBondContact CA-O 3.47Å; G26-H71 CarbonylContact O-C 3.52Å; G26-H71 VanDerWaalsContact O-CA 3.3Å; G26-H71 WeakPolarHBondContact O-CA 3.49Å; G26-V72 PolarHBondContact N-O 2.91Å; G26-V72 PolarHBondContact O-N 3.39Å |
| 27 | E | 95.4 | Very high | 91.8 | Very high | 77 Ų | 77 | 45.5 Ų | 45.5 | 36% | 0.36 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 134.8 | 176 | -174.6 | -171.7 | 170.4 | 0 | 0 | 109.8 | V29 V38 R39 E70 | E27-V29 PolarHBondContact O-N 2.91Å; E27-V38 CarbonylContact O-C 3.52Å; E27-V38 WeakPolarHBondContact O-CA 3.3Å; E27-R39 PolarHBondContact N-O 2.9Å; E27-R39 PolarHBondContact O-N 3.15Å; E27-E70 WeakPolarHBondContact CA-O 3.38Å |
| 28 | V | 96 | Very high | 92.4 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 116.9 | 175.7 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | V31 A36 V38 V66 D67 G69 E70 V72 | V28-V31 HydrophobicContact CG1-CG2 3.64Å; V28-A36 HydrophobicContact CG1-CB 4.42Å; V28-V38 HydrophobicContact CG2-CG2 4.28Å; V28-V66 HydrophobicContact CG1-CG2 4.41Å; V28-V66 HydrophobicContact CG2-CB 4.35Å; V28-V66 HydrophobicContact CG2-CG2 4.46Å; V28-D67 WeakPolarHBondContact CB-O 3.48Å; V28-G69 PolarHBondContact O-N 2.91Å; V28-E70 HydrophobicContact CG2-CB 4.46Å; V28-E70 PolarHBondContact N-O 3.28Å; V28-V72 HydrophobicContact CG2-CG1 4.35Å; V28-V72 HydrophobicContact CG2-CG2 4.03Å |
| 29 | V | 95.2 | Very high | 92.8 | Very high | 58 Ų | 58 | 51.4 Ų | 51.4 | 35% | 0.352 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -40 | 179.5 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | E27 F37 R39 V68 | E27-V29 PolarHBondContact O-N 2.91Å; V29-F37 PolarHBondContact N-O 3.05Å; V29-R39 HydrophobicContact CG2-CB 3.47Å; V29-R39 VanDerWaalsContact CG2-CB 3.47Å; V29-V68 WeakPolarHBondContact O-CG1 3.09Å |
| 30 | S | 94.6 | Very high | 93 | Very high | 47 Ų | 47 | 48.4 Ų | 48.4 | 33% | 0.329 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 141.9 | -176.4 | -173.9 | 0 | 0 | 0 | 0 | 110.7 | F37 | S30-F37 PolarHBondContact O-N 2.9Å |
| 31 | V | 94.7 | Very high | 93 | Very high | 28 Ų | 28 | 49.1 Ų | 49.1 | 17% | 0.17 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 131.1 | 177.5 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | V28 A36 A62 V66 V68 | V28-V31 HydrophobicContact CG1-CG2 3.64Å; V31-A36 HydrophobicContact CG2-CB 4.45Å; V31-A62 HydrophobicContact CG1-CB 3.6Å; V31-V66 HydrophobicContact CG1-CG2 4.49Å; V31-V66 HydrophobicContact CG2-CG2 3.9Å; V31-V68 HydrophobicContact CG2-CG2 4.07Å |
| 32 | Q | 94.1 | Very high | 92.8 | Very high | 77 Ų | 77 | 48.6 Ų | 48.6 | 36% | 0.36 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 164.3 | 176.1 | -59.2 | -166 | 6.5 | 0 | 0 | 109.8 | Y34 G35 F37 A62 | Q32-Y34 HydrophobicContact CB-CD1 4.13Å; Q32-Y34 HydrophobicContact CB-CE1 3.84Å; Q32-Y34 HydrophobicContact CG-CE1 4.45Å; Q32-Y34 PolarHBondContact O-N 3.44Å; Q32-Y34 PolarHBondContact OE1-OH 3.49Å; Q32-G35 CarbonylContact C-O 3.44Å; Q32-G35 WeakPolarHBondContact CA-O 3.39Å; Q32-G35 PolarHBondContact N-O 3.37Å; Q32-G35 PolarHBondContact O-N 2.85Å; Q32-G35 VanDerWaalsContact O-N 3.1Å; Q32-F37 HydrophobicContact CG-CD2 4.46Å; Q32-F37 HydrophobicContact CG-CE2 4.11Å; Q32-A62 WeakPolarHBondContact O-CB 3.38Å |
| 33 | S | 90.8 | Very high | 92.5 | Very high | 88 Ų | 88 | 48.5 Ų | 48.5 | 62% | 0.615 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -30.5 | -177.3 | 52.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 34 | Y | 90.3 | Very high | 92.1 | Very high | 93 Ų | 93 | 55.9 Ų | 55.9 | 37% | 0.365 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -10.9 | 178.5 | 63.3 | -96.6 | 0 | 0 | 0 | 114.2 | Q32 F37 L48 V51 | Q32-Y34 HydrophobicContact CB-CD1 4.13Å; Q32-Y34 HydrophobicContact CB-CE1 3.84Å; Q32-Y34 HydrophobicContact CG-CE1 4.45Å; Q32-Y34 PolarHBondContact O-N 3.44Å; Q32-Y34 PolarHBondContact OE1-OH 3.49Å; Y34-F37 HydrophobicContact CE2-CE2 4.5Å; Y34-F37 HydrophobicContact CE2-CZ 4.48Å; Y34-F37 WeakPolarHBondContact OH-CE2 3.38Å; Y34-F37 WeakPolarHBondContact OH-CZ 3.36Å; Y34-L48 HydrophobicContact CD2-CD1 4.14Å; Y34-L48 HydrophobicContact CD2-CD2 4.2Å; Y34-L48 HydrophobicContact CE2-CD1 3.57Å; Y34-L48 HydrophobicContact CE2-CD2 3.77Å; Y34-L48 HydrophobicContact CE2-CG 4.32Å; Y34-V51 PolarHBondContact O-N 2.79Å |
| 35 | G | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165 | -179.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q32 V49 | Q32-G35 CarbonylContact C-O 3.44Å; Q32-G35 WeakPolarHBondContact CA-O 3.39Å; Q32-G35 PolarHBondContact N-O 3.37Å; Q32-G35 PolarHBondContact O-N 2.85Å; Q32-G35 VanDerWaalsContact O-N 3.1Å; G35-V49 CarbonylContact C-O 3.57Å; G35-V49 WeakPolarHBondContact CA-O 3.23Å |
| 36 | A | 95.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 139.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V28 V31 V49 M54 V66 | V28-A36 HydrophobicContact CG1-CB 4.42Å; V31-A36 HydrophobicContact CG2-CB 4.45Å; A36-V49 PolarHBondContact N-O 2.8Å; A36-V49 PolarHBondContact O-N 2.9Å; A36-M54 HydrophobicContact CB-CE 4.22Å; A36-V66 HydrophobicContact CB-CG2 4Å |
| 37 | F | 95.6 | Very high | 91.9 | Very high | 48 Ų | 48 | 59.1 Ų | 59.1 | 21% | 0.211 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 121.8 | 173.1 | -71.3 | -85.9 | 0 | 0 | 0 | 109.5 | V29 S30 Q32 Y34 G47 L48 | V29-F37 PolarHBondContact N-O 3.05Å; S30-F37 PolarHBondContact O-N 2.9Å; Q32-F37 HydrophobicContact CG-CD2 4.46Å; Q32-F37 HydrophobicContact CG-CE2 4.11Å; Y34-F37 HydrophobicContact CE2-CE2 4.5Å; Y34-F37 HydrophobicContact CE2-CZ 4.48Å; Y34-F37 WeakPolarHBondContact OH-CE2 3.38Å; Y34-F37 WeakPolarHBondContact OH-CZ 3.36Å; F37-G47 WeakPolarHBondContact CA-O 3.19Å; F37-L48 HydrophobicContact CD1-CD1 4.37Å; F37-L48 HydrophobicContact CD2-CD1 4.39Å; F37-L48 HydrophobicContact CE1-CB 4.36Å; F37-L48 HydrophobicContact CE1-CD1 4.07Å; F37-L48 HydrophobicContact CE2-CD1 4.07Å; F37-L48 HydrophobicContact CZ-CD1 3.91Å |
| 38 | V | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 128.8 | -178.5 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | E27 V28 G47 V49 V72 I74 F90 | E27-V38 CarbonylContact O-C 3.52Å; E27-V38 WeakPolarHBondContact O-CA 3.3Å; V28-V38 HydrophobicContact CG2-CG2 4.28Å; V38-G47 PolarHBondContact N-O 2.86Å; V38-G47 PolarHBondContact O-N 3.32Å; V38-V49 HydrophobicContact CG2-CG2 3.79Å; V38-V72 HydrophobicContact CG1-CG2 4.31Å; V38-V72 HydrophobicContact CG2-CG2 4.21Å; V38-I74 HydrophobicContact CB-CD1 4.45Å; V38-I74 HydrophobicContact CG1-CD1 4Å; V38-I74 HydrophobicContact CG1-CG1 4.49Å; V38-F90 HydrophobicContact CB-CD2 4.3Å; V38-F90 HydrophobicContact CB-CE2 4.45Å |
| 39 | R | 93.4 | Very high | 91.8 | Very high | 135 Ų | 135 | 57.9 Ų | 57.9 | 51% | 0.509 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 129.2 | 173 | -178.5 | 176.1 | -179.2 | -133.1 | 2 | 109.3 | G26 E27 V29 E46 | G26-R39 CarbonylContact C-O 3.59Å; G26-R39 VanDerWaalsContact CA-O 3.23Å; G26-R39 WeakPolarHBondContact CA-O 3.47Å; E27-R39 PolarHBondContact N-O 2.9Å; E27-R39 PolarHBondContact O-N 3.15Å; V29-R39 HydrophobicContact CG2-CB 3.47Å; V29-R39 VanDerWaalsContact CG2-CB 3.47Å; R39-E46 HydrophobicContact CB-CG 4.3Å |
| 40 | L | 91.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -95.2 | 134.6 | 175.2 | -69.3 | 173.5 | 0 | 0 | 0 | 110.3 | P18 A24 G42 Y43 I74 F90 | P18-L40 HydrophobicContact CG-CD1 3.98Å; A24-L40 HydrophobicContact CB-CD1 4.35Å; A24-L40 HydrophobicContact CB-CD2 3.57Å; L40-G42 PolarHBondContact O-N 3.4Å; L40-Y43 HydrophobicContact CB-CD2 3.47Å; L40-Y43 VanDerWaalsContact CB-CD2 3.47Å; L40-Y43 HydrophobicContact CB-CE2 4.2Å; L40-Y43 HydrophobicContact CB-CG 4.3Å; L40-Y43 HydrophobicContact CD1-CD2 4.14Å; L40-Y43 HydrophobicContact CD1-CE2 4.35Å; L40-Y43 HydrophobicContact CG-CD2 4.46Å; L40-Y43 PolarHBondContact O-N 2.85Å; L40-I74 HydrophobicContact CD1-CD1 4.23Å; L40-I74 HydrophobicContact CD2-CD1 3.62Å; L40-I74 HydrophobicContact CD2-CG1 3.96Å; L40-I74 HydrophobicContact CG-CD1 4.06Å; L40-F90 HydrophobicContact CD1-CE1 3.95Å; L40-F90 HydrophobicContact CD1-CE2 4.41Å; L40-F90 HydrophobicContact CD1-CZ 3.57Å; L40-F90 HydrophobicContact CG-CZ 4.13Å |
| 41 | P | 88.6 | Confident | 91.6 | Very high | 96 Ų | 96 | 57 Ų | 57 | 62% | 0.623 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 133.8 | 175 | 28.1 | -33 | 0 | 0 | 0 | 109.9 | K25 Y43 | K25-P41 WeakPolarHBondContact O-CD 3.33Å; P41-Y43 VanDerWaalsContact C-N 3.34Å; P41-Y43 WeakPolarHBondContact O-CD2 3.25Å |
| 42 | G | 84.5 | Confident | 91.4 | Very high | 73 Ų | 73 | 57.3 Ų | 57.3 | 75% | 0.753 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | -6.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L40 | L40-G42 PolarHBondContact O-N 3.4Š|
| 43 | Y | 84.9 | Confident | 91.3 | Very high | 26 Ų | 26 | 53.9 Ų | 53.9 | 10% | 0.102 | 28% | 0.281 | C | S | . | . | trans | -115 | 142.7 | 177.7 | -55.7 | -79.2 | 0 | 0 | 0 | 111.2 | P11 G16 P18 L40 P41 | P11-Y43 HydrophobicContact CB-CE1 4.04Å; P11-Y43 HydrophobicContact CB-CE2 4.38Å; P11-Y43 WeakPolarHBondContact CB-OH 3.39Å; P11-Y43 HydrophobicContact CG-CE1 4.16Å; P11-Y43 HydrophobicContact CG-CE2 4.31Å; G16-Y43 WeakPolarHBondContact O-CD1 3.42Å; P18-Y43 VanDerWaalsContact CA-CE1 3.48Å; P18-Y43 WeakPolarHBondContact CA-OH 3.5Å; P18-Y43 HydrophobicContact CB-CE1 3.88Å; P18-Y43 HydrophobicContact CB-CE2 4.05Å; P18-Y43 WeakPolarHBondContact CB-OH 3.41Å; P18-Y43 VanDerWaalsContact CD-CD1 3.5Å; P18-Y43 HydrophobicContact CG-CE1 4.33Å; L40-Y43 HydrophobicContact CB-CD2 3.47Å; L40-Y43 VanDerWaalsContact CB-CD2 3.47Å; L40-Y43 HydrophobicContact CB-CE2 4.2Å; L40-Y43 HydrophobicContact CB-CG 4.3Å; L40-Y43 HydrophobicContact CD1-CD2 4.14Å; L40-Y43 HydrophobicContact CD1-CE2 4.35Å; L40-Y43 HydrophobicContact CG-CD2 4.46Å; L40-Y43 PolarHBondContact O-N 2.85Å; P41-Y43 VanDerWaalsContact C-N 3.34Å; P41-Y43 WeakPolarHBondContact O-CD2 3.25Å | ||
| 44 | K | 83.4 | Confident | 91.3 | Very high | 206 Ų | 206 | 50.1 Ų | 50.1 | 90% | 0.896 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -83.5 | -17.4 | -176.4 | -65.2 | -179.1 | -178.5 | 177 | 0 | 113.6 | ||
| 45 | K | 88.3 | Confident | 91.3 | Very high | 91 Ų | 91 | 47.7 Ų | 47.7 | 40% | 0.396 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -107.6 | 137.4 | -174.8 | -63.5 | -65.9 | -173.3 | 179.7 | 0 | 110.1 | V86 M88 | K45-V86 HydrophobicContact CD-CB 4.39Å; K45-V86 HydrophobicContact CG-CB 4.26Å; K45-V86 HydrophobicContact CG-CG1 4.37Å; K45-M88 HydrophobicContact CB-SD 3.82Å |
| 46 | E | 92.1 | Very high | 91 | Very high | 94 Ų | 94 | 51.7 Ų | 51.7 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 153.1 | 170.4 | -63.1 | 171.3 | -179 | 0 | 0 | 109.6 | R39 | R39-E46 HydrophobicContact CB-CG 4.3Å |
| 47 | G | 93.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 160.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | F37 V38 M88 | F37-G47 WeakPolarHBondContact CA-O 3.19Å; V38-G47 PolarHBondContact N-O 2.86Å; V38-G47 PolarHBondContact O-N 3.32Å; G47-M88 WeakPolarHBondContact CA-O 3.01Å |
| 48 | L | 94.4 | Very high | 90 | Very high | 52 Ų | 52 | 63.9 Ų | 63.9 | 27% | 0.272 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 128.6 | -176.1 | 178.7 | 68.4 | 0 | 0 | 0 | 110 | Y34 F37 M88 F90 | Y34-L48 HydrophobicContact CD2-CD1 4.14Å; Y34-L48 HydrophobicContact CD2-CD2 4.2Å; Y34-L48 HydrophobicContact CE2-CD1 3.57Å; Y34-L48 HydrophobicContact CE2-CD2 3.77Å; Y34-L48 HydrophobicContact CE2-CG 4.32Å; F37-L48 HydrophobicContact CD1-CD1 4.37Å; F37-L48 HydrophobicContact CD2-CD1 4.39Å; F37-L48 HydrophobicContact CE1-CB 4.36Å; F37-L48 HydrophobicContact CE1-CD1 4.07Å; F37-L48 HydrophobicContact CE2-CD1 4.07Å; F37-L48 HydrophobicContact CZ-CD1 3.91Å; L48-M88 PolarHBondContact N-O 2.8Å; L48-F90 PolarHBondContact O-N 2.87Å |
| 49 | V | 94.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 114.6 | 164 | -173.1 | 0 | 0 | 0 | 0 | 107.4 | G35 A36 V38 E53 M54 I74 F90 M92 | G35-V49 CarbonylContact C-O 3.57Å; G35-V49 WeakPolarHBondContact CA-O 3.23Å; A36-V49 PolarHBondContact N-O 2.8Å; A36-V49 PolarHBondContact O-N 2.9Å; V38-V49 HydrophobicContact CG2-CG2 3.79Å; V49-E53 HydrophobicContact CG1-CB 4.19Å; V49-M54 HydrophobicContact CB-CG 4.43Å; V49-M54 HydrophobicContact CG1-CG 3.54Å; V49-I74 HydrophobicContact CG2-CG2 4.26Å; V49-F90 HydrophobicContact CG2-CB 3.64Å; V49-F90 HydrophobicContact CG2-CD2 4.41Å; V49-M92 HydrophobicContact CG1-CG 4.02Å; V49-M92 HydrophobicContact CG1-SD 4.16Å; V49-M92 HydrophobicContact CG2-CG 4.39Å |
| 50 | H | 93.1 | Very high | 89.2 | Confident | 71 Ų | 71 | 66.1 Ų | 66.1 | 33% | 0.329 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 150 | 175.4 | -164.4 | -106.6 | 0 | 0 | 0 | 110.4 | S52 E53 M54 | H50-S52 PolarHBondContact ND1-OG 3.22Å; H50-S52 PolarHBondContact O-N 3.25Å; H50-E53 HydrophobicContact CB-CG 4.25Å; H50-E53 CarbonylContact O-C 3.49Å; H50-E53 WeakPolarHBondContact O-CA 3.2Å; H50-E53 WeakPolarHBondContact O-CB 3.47Å; H50-E53 PolarHBondContact O-N 2.96Å; H50-M54 PolarHBondContact O-N 2.85Å |
| 51 | V | 91.9 | Very high | 89 | Confident | 15 Ų | 15 | 69.4 Ų | 69.4 | 9% | 0.091 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -53.2 | -32.3 | 178.8 | 67.6 | 0 | 0 | 0 | 0 | 113.4 | Y34 E53 M54 V59 | Y34-V51 PolarHBondContact O-N 2.79Å; V51-E53 VanDerWaalsContact C-N 3.26Å; V51-E53 PolarHBondContact O-N 3.05Å; V51-M54 PolarHBondContact O-N 3.04Å; V51-V59 HydrophobicContact CG2-CB 4.29Å; V51-V59 WeakPolarHBondContact CG2-O 3.47Å |
| 52 | S | 90.7 | Very high | 89 | Confident | 35 Ų | 35 | 64.9 Ų | 64.9 | 25% | 0.245 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -77.1 | -9.4 | 176.6 | -42.9 | 0 | 0 | 0 | 0 | 114.6 | H50 K93 | H50-S52 PolarHBondContact ND1-OG 3.22Å; H50-S52 PolarHBondContact O-N 3.25Å; S52-K93 PolarHBondContact O-NZ 2.89Å |
| 53 | E | 92.1 | Very high | 89.2 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.019 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -105.4 | -8.6 | 175.6 | -64 | -56.8 | 125.6 | 0 | 0 | 112.3 | V49 H50 V51 I77 F90 S91 M92 K93 R117 | V49-E53 HydrophobicContact CG1-CB 4.19Å; H50-E53 HydrophobicContact CB-CG 4.25Å; H50-E53 CarbonylContact O-C 3.49Å; H50-E53 WeakPolarHBondContact O-CA 3.2Å; H50-E53 WeakPolarHBondContact O-CB 3.47Å; H50-E53 PolarHBondContact O-N 2.96Å; V51-E53 VanDerWaalsContact C-N 3.26Å; V51-E53 PolarHBondContact O-N 3.05Å; E53-I77 HydrophobicContact CG-CD1 3.95Å; E53-I77 WeakPolarHBondContact OE2-CD1 3.46Å; E53-F90 WeakPolarHBondContact CB-O 3.02Å; E53-S91 PolarHBondContact OE2-OG 2.98Å; E53-M92 PolarHBondContact O-N 2.63Å; E53-K93 PolarHBondContact O-N 2.71Å; E53-K93 IonicContact OE1-NZ 3.24Å; E53-K93 PolarHBondContact OE1-NZ 3.01Å; E53-K93 WeakPolarHBondContact OE2-CE 3.42Å; E53-K93 IonicContact OE2-NZ 3.93Å; E53-K93 PolarHBondContact OE2-NZ 3.34Å; E53-R117 IonicContact OE1-CZ 3.68Å; E53-R117 IonicContact OE1-NH1 3.44Å; E53-R117 IonicContact OE1-NH2 2.7Å; E53-R117 PolarHBondContact OE1-NH2 3.42Å |
| 54 | M | 91.9 | Very high | 89.4 | Confident | 9 Ų | 9 | 70.7 Ų | 70.7 | 4% | 0.044 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -74.6 | -43.8 | 177.3 | -66.3 | -177.2 | 79.1 | 0 | 0 | 111.8 | A36 V49 H50 V51 A62 I65 V66 M92 | A36-M54 HydrophobicContact CB-CE 4.22Å; V49-M54 HydrophobicContact CB-CG 4.43Å; V49-M54 HydrophobicContact CG1-CG 3.54Å; H50-M54 PolarHBondContact O-N 2.85Å; V51-M54 PolarHBondContact O-N 3.04Å; M54-A62 HydrophobicContact CE-CB 3.91Å; M54-A62 HydrophobicContact SD-CB 3.47Å; M54-A62 WeakPolarHBondContact SD-CB 3.4Å; M54-I65 HydrophobicContact CB-CD1 3.76Å; M54-I65 HydrophobicContact CE-CB 4.02Å; M54-I65 HydrophobicContact CE-CD1 4.07Å; M54-I65 HydrophobicContact CE-CG2 4.39Å; M54-I65 HydrophobicContact SD-CD1 4.25Å; M54-V66 HydrophobicContact CE-CB 4.29Å; M54-V66 HydrophobicContact CE-CG1 3.84Å; M54-V66 HydrophobicContact CE-CG2 3.48Å; M54-V66 VanDerWaalsContact CE-CG2 3.48Å; M54-M92 HydrophobicContact CE-SD 4.36Å; M54-M92 HydrophobicContact CG-SD 4.36Å |
| 55 | S | 90.4 | Very high | 89.6 | Confident | 42 Ų | 42 | 63.7 Ų | 63.7 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | trans | -141.5 | 158.1 | -179.7 | -173.8 | 0 | 0 | 0 | 0 | 111.4 | T57 | S55-T57 VanDerWaalsContact C-N 3.29Å; S55-T57 PolarHBondContact OG-N 3.16Å | ||
| 56 | A | 86.2 | Confident | 89.8 | Confident | 84 Ų | 84 | 59.5 Ų | 59.5 | 69% | 0.694 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -72.3 | -26.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 57 | T | 86.9 | Confident | 89.8 | Confident | 104 Ų | 104 | 60.6 Ų | 60.6 | 64% | 0.638 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -81.7 | 149.5 | 175.1 | -56.4 | 0 | 0 | 0 | 0 | 110.2 | S55 V59 | S55-T57 VanDerWaalsContact C-N 3.29Å; S55-T57 PolarHBondContact OG-N 3.16Å; T57-V59 PolarHBondContact O-N 3.25Å |
| 58 | R | 83 | Confident | 90 | Very high | 202 Ų | 202 | 65.2 Ų | 65.2 | 76% | 0.762 | 35% | 0.353 | S | S | * | . | trans | -67.3 | 118.2 | 174.4 | -175.5 | 65.2 | 178.5 | -168.4 | 2.4 | 109.4 | ||||
| 59 | V | 86.2 | Confident | 90 | Very high | 24 Ų | 24 | 64.2 Ų | 64.2 | 15% | 0.145 | 36% | 0.355 | C | S | . | . | trans | -117.8 | 141.2 | 172.2 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | V51 T57 N61 I65 | V51-V59 HydrophobicContact CG2-CB 4.29Å; V51-V59 WeakPolarHBondContact CG2-O 3.47Å; T57-V59 PolarHBondContact O-N 3.25Å; V59-N61 WeakPolarHBondContact CG1-O 3.38Å; V59-I65 HydrophobicContact CB-CD1 3.95Å; V59-I65 HydrophobicContact CG1-CD1 3.83Å; V59-I65 HydrophobicContact CG1-CG1 4.06Å; V59-I65 HydrophobicContact CG2-CD1 3.77Å; V59-I65 HydrophobicContact CG2-CG1 4.39Å | ||
| 60 | E | 85.7 | Confident | 90 | Very high | 158 Ų | 158 | 68.1 Ų | 68.1 | 74% | 0.738 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -91.3 | -40.7 | 177.8 | -59.9 | -165.8 | 140.6 | 0 | 0 | 111.5 | ||
| 61 | N | 87.1 | Confident | 90 | Very high | 70 Ų | 70 | 70.2 Ų | 70.2 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | trans | -116 | 123.6 | -176.9 | -54.6 | -54.9 | 0 | 0 | 0 | 111.3 | V59 S63 E64 | V59-N61 WeakPolarHBondContact CG1-O 3.38Å; N61-S63 PolarHBondContact O-N 3.35Å; N61-E64 HydrophobicContact CB-CG 4.25Å; N61-E64 PolarHBondContact ND2-OE1 2.89Å; N61-E64 PolarHBondContact O-N 2.86Å | ||
| 62 | A | 88.1 | Confident | 90.1 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -64.6 | -26.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | V31 Q32 M54 E64 I65 V66 | V31-A62 HydrophobicContact CG1-CB 3.6Å; Q32-A62 WeakPolarHBondContact O-CB 3.38Å; M54-A62 HydrophobicContact CE-CB 3.91Å; M54-A62 HydrophobicContact SD-CB 3.47Å; M54-A62 WeakPolarHBondContact SD-CB 3.4Å; A62-E64 PolarHBondContact O-N 2.93Å; A62-I65 PolarHBondContact O-N 3.23Å; A62-I65 VanDerWaalsContact O-N 3.17Å; A62-V66 PolarHBondContact O-N 3.3Å |
| 63 | S | 89.9 | Confident | 90.3 | Very high | 77 Ų | 77 | 71.4 Ų | 71.4 | 54% | 0.538 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -66.9 | -13.9 | -179.3 | -54.7 | 0 | 0 | 0 | 0 | 114.6 | N61 | N61-S63 PolarHBondContact O-N 3.35Š|
| 64 | E | 88 | Confident | 90.4 | Very high | 144 Ų | 144 | 71.2 Ų | 71.2 | 67% | 0.673 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -84.5 | -16.1 | 176.4 | -67.2 | 171.1 | -149.6 | 0 | 0 | 112.4 | N61 A62 | N61-E64 HydrophobicContact CB-CG 4.25Å; N61-E64 PolarHBondContact ND2-OE1 2.89Å; N61-E64 PolarHBondContact O-N 2.86Å; A62-E64 PolarHBondContact O-N 2.93Å |
| 65 | I | 88.5 | Confident | 90.5 | Very high | 60 Ų | 60 | 70.9 Ų | 70.9 | 31% | 0.308 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -39.8 | -174.5 | -48.3 | 174.6 | 0 | 0 | 0 | 111.3 | M54 V59 A62 | M54-I65 HydrophobicContact CB-CD1 3.76Å; M54-I65 HydrophobicContact CE-CB 4.02Å; M54-I65 HydrophobicContact CE-CD1 4.07Å; M54-I65 HydrophobicContact CE-CG2 4.39Å; M54-I65 HydrophobicContact SD-CD1 4.25Å; V59-I65 HydrophobicContact CB-CD1 3.95Å; V59-I65 HydrophobicContact CG1-CD1 3.83Å; V59-I65 HydrophobicContact CG1-CG1 4.06Å; V59-I65 HydrophobicContact CG2-CD1 3.77Å; V59-I65 HydrophobicContact CG2-CG1 4.39Å; A62-I65 PolarHBondContact O-N 3.23Å; A62-I65 VanDerWaalsContact O-N 3.17Å |
| 66 | V | 91.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | trans | -136.4 | 142.3 | -173.3 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | V28 V31 A36 M54 A62 V72 M92 | V28-V66 HydrophobicContact CG1-CG2 4.41Å; V28-V66 HydrophobicContact CG2-CB 4.35Å; V28-V66 HydrophobicContact CG2-CG2 4.46Å; V31-V66 HydrophobicContact CG1-CG2 4.49Å; V31-V66 HydrophobicContact CG2-CG2 3.9Å; A36-V66 HydrophobicContact CB-CG2 4Å; M54-V66 HydrophobicContact CE-CB 4.29Å; M54-V66 HydrophobicContact CE-CG1 3.84Å; M54-V66 HydrophobicContact CE-CG2 3.48Å; M54-V66 VanDerWaalsContact CE-CG2 3.48Å; A62-V66 PolarHBondContact O-N 3.3Å; V66-V72 HydrophobicContact CG1-CG1 4.28Å; V66-M92 HydrophobicContact CG1-CE 3.69Å; V66-M92 HydrophobicContact CG1-SD 4.17Å | ||
| 67 | D | 93.8 | Very high | 90.9 | Very high | 117 Ų | 117 | 67 Ų | 67 | 63% | 0.626 | 34% | 0.342 | S | S | * | . | trans | -100.6 | 158.3 | 172 | -81.4 | -68.9 | 0 | 0 | 0 | 111.9 | V28 G69 E70 | V28-D67 WeakPolarHBondContact CB-O 3.48Å; D67-G69 PolarHBondContact O-N 3.18Å; D67-E70 PolarHBondContact N-OE2 3.45Å; D67-E70 WeakPolarHBondContact O-CB 3.08Å; D67-E70 PolarHBondContact O-N 3.4Å | ||
| 68 | V | 95.6 | Very high | 91 | Very high | 99 Ų | 99 | 63.2 Ų | 63.2 | 60% | 0.6 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 131.5 | 174.2 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | V29 V31 | V29-V68 WeakPolarHBondContact O-CG1 3.09Å; V31-V68 HydrophobicContact CG2-CG2 4.07Å |
| 69 | G | 94.7 | Very high | 91.3 | Very high | 31 Ų | 31 | 58.7 Ų | 58.7 | 32% | 0.32 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V28 D67 | V28-G69 PolarHBondContact O-N 2.91Å; D67-G69 PolarHBondContact O-N 3.18Å |
| 70 | E | 94.4 | Very high | 91.5 | Very high | 82 Ų | 82 | 62.9 Ų | 62.9 | 38% | 0.383 | 32% | 0.324 | S | S | . | . | trans | -72.4 | 144.2 | 177.8 | -165.6 | 179.7 | 154.3 | 0 | 0 | 111.6 | E27 V28 D67 V72 | E27-E70 WeakPolarHBondContact CA-O 3.38Å; V28-E70 HydrophobicContact CG2-CB 4.46Å; V28-E70 PolarHBondContact N-O 3.28Å; D67-E70 PolarHBondContact N-OE2 3.45Å; D67-E70 WeakPolarHBondContact O-CB 3.08Å; D67-E70 PolarHBondContact O-N 3.4Å; E70-V72 HydrophobicContact CG-CG1 4.32Å | ||
| 71 | H | 93.8 | Very high | 91.6 | Very high | 116 Ų | 116 | 59 Ų | 59 | 54% | 0.537 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 113.7 | 176.2 | -67.1 | 68.4 | 0 | 0 | 0 | 111.2 | G26 | G26-H71 CarbonylContact O-C 3.52Å; G26-H71 VanDerWaalsContact O-CA 3.3Å; G26-H71 WeakPolarHBondContact O-CA 3.49Å |
| 72 | V | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 150.7 | -175.2 | -65.1 | 0 | 0 | 0 | 0 | 112 | K25 G26 V28 V38 V66 E70 I74 M92 | K25-V72 WeakPolarHBondContact CA-O 3.37Å; G26-V72 PolarHBondContact N-O 2.91Å; G26-V72 PolarHBondContact O-N 3.39Å; V28-V72 HydrophobicContact CG2-CG1 4.35Å; V28-V72 HydrophobicContact CG2-CG2 4.03Å; V38-V72 HydrophobicContact CG1-CG2 4.31Å; V38-V72 HydrophobicContact CG2-CG2 4.21Å; V66-V72 HydrophobicContact CG1-CG1 4.28Å; E70-V72 HydrophobicContact CG-CG1 4.32Å; V72-I74 HydrophobicContact CG2-CG2 4.13Å; V72-M92 HydrophobicContact CB-CE 3.94Å; V72-M92 HydrophobicContact CG1-CE 3.75Å; V72-M92 HydrophobicContact CG2-CE 4.42Å |
| 73 | W | 94.6 | Very high | 91.6 | Very high | 74 Ų | 74 | 65.4 Ų | 65.4 | 28% | 0.28 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 126.7 | 171.8 | -69.7 | 94.8 | 0 | 0 | 0 | 110.1 | I23 K25 V95 Q97 | I23-W73 HydrophobicContact CG2-CE3 3.75Å; I23-W73 HydrophobicContact CG2-CZ3 4.24Å; K25-W73 HydrophobicContact CB-CD2 4.28Å; K25-W73 HydrophobicContact CB-CE3 4.07Å; K25-W73 HydrophobicContact CB-CH2 4.29Å; K25-W73 HydrophobicContact CB-CZ2 4.48Å; K25-W73 HydrophobicContact CB-CZ3 4.08Å; K25-W73 HydrophobicContact CD-CZ2 4.13Å; K25-W73 HydrophobicContact CG-CD2 4.41Å; W73-V95 HydrophobicContact CB-CB 4.39Å; W73-V95 HydrophobicContact CB-CG1 3.71Å; W73-Q97 PolarHBondContact O-NE2 3.16Å; W73-Q97 PolarHBondContact O-OE1 2.98Å |
| 74 | I | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 149.3 | -178.4 | 52.9 | 151.6 | 0 | 0 | 0 | 111.9 | I23 A24 V38 L40 V49 V72 F90 S91 M92 | I23-I74 WeakPolarHBondContact CA-O 3.34Å; A24-I74 PolarHBondContact N-O 2.83Å; A24-I74 WeakPolarHBondContact O-CG1 3.44Å; A24-I74 PolarHBondContact O-N 2.93Å; V38-I74 HydrophobicContact CB-CD1 4.45Å; V38-I74 HydrophobicContact CG1-CD1 4Å; V38-I74 HydrophobicContact CG1-CG1 4.49Å; L40-I74 HydrophobicContact CD1-CD1 4.23Å; L40-I74 HydrophobicContact CD2-CD1 3.62Å; L40-I74 HydrophobicContact CD2-CG1 3.96Å; L40-I74 HydrophobicContact CG-CD1 4.06Å; V49-I74 HydrophobicContact CG2-CG2 4.26Å; V72-I74 HydrophobicContact CG2-CG2 4.13Å; I74-F90 HydrophobicContact CB-CB 4.31Å; I74-F90 HydrophobicContact CD1-CB 3.96Å; I74-F90 HydrophobicContact CD1-CD1 3.63Å; I74-F90 HydrophobicContact CD1-CD2 3.4Å; I74-F90 HydrophobicContact CD1-CE1 3.87Å; I74-F90 HydrophobicContact CD1-CE2 3.59Å; I74-F90 HydrophobicContact CD1-CG 3.4Å; I74-F90 HydrophobicContact CD1-CZ 3.85Å; I74-F90 HydrophobicContact CG2-CB 4.5Å; I74-S91 WeakPolarHBondContact CA-O 3.41Å; I74-M92 HydrophobicContact CG2-CG 3.69Å |
| 75 | K | 93.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 70 Ų | 70 | 1% | 0.013 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 136.8 | 170.4 | -175 | 173.4 | -173.4 | 171 | 0 | 110.6 | S22 I23 I77 F90 S91 A94 V95 D102 D104 N107 | S22-K75 WeakPolarHBondContact O-CA 3.46Å; I23-K75 HydrophobicContact CG1-CB 4.38Å; I23-K75 HydrophobicContact CG1-CG 4.43Å; K75-I77 PolarHBondContact O-N 3.06Å; K75-F90 WeakPolarHBondContact O-CA 3.17Å; K75-S91 PolarHBondContact N-O 3.03Å; K75-S91 PolarHBondContact O-N 2.93Å; K75-A94 HydrophobicContact CB-CB 4.3Å; K75-A94 HydrophobicContact CD-CB 3.87Å; K75-V95 HydrophobicContact CB-CG2 3.54Å; K75-D102 IonicContact NZ-OD1 2.7Å; K75-D102 PolarHBondContact NZ-OD1 3.1Å; K75-D102 IonicContact NZ-OD2 2.71Å; K75-D102 PolarHBondContact NZ-OD2 2.85Å; K75-D104 PolarHBondContact NZ-O 3.45Å; K75-N107 WeakPolarHBondContact CE-OD1 3.48Å; K75-N107 PolarHBondContact NZ-OD1 2.91Å; K75-N107 VanDerWaalsContact NZ-OD1 3.1Å |
| 76 | V | 92.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 68.6 Ų | 68.6 | 1% | 0.006 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 110.8 | 175.5 | -171.3 | 0 | 0 | 0 | 0 | 110.2 | P18 L20 H21 S22 F90 | P18-V76 HydrophobicContact CB-CG2 4.01Å; P18-V76 HydrophobicContact CG-CG2 3.91Å; L20-V76 HydrophobicContact CD2-CG1 4.41Å; H21-V76 WeakPolarHBondContact CA-O 3.33Å; H21-V76 PolarHBondContact N-O 3.1Å; S22-V76 PolarHBondContact O-N 3.47Å; V76-F90 HydrophobicContact CB-CD1 4.46Å; V76-F90 HydrophobicContact CB-CE1 4.46Å; V76-F90 HydrophobicContact CG1-CE1 4.33Å; V76-F90 HydrophobicContact CG2-CD1 4.13Å; V76-F90 HydrophobicContact CG2-CE1 3.83Å |
| 77 | I | 92.3 | Very high | 91.2 | Very high | 44 Ų | 44 | 74.8 Ų | 74.8 | 23% | 0.226 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -41.1 | -179.4 | -42.5 | 174.9 | 0 | 0 | 0 | 111 | E53 K75 S89 A110 | E53-I77 HydrophobicContact CG-CD1 3.95Å; E53-I77 WeakPolarHBondContact OE2-CD1 3.46Å; K75-I77 PolarHBondContact O-N 3.06Å; I77-S89 PolarHBondContact N-O 2.9Å; I77-A110 HydrophobicContact CG2-CB 3.66Å |
| 78 | G | 89.8 | Confident | 91.1 | Very high | 23 Ų | 23 | 69.5 Ų | 69.5 | 24% | 0.237 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 141.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S89 | G78-S89 PolarHBondContact N-O 3.48Å; G78-S89 PolarHBondContact O-N 3.19Å |
| 79 | R | 90 | Very high | 91 | Very high | 108 Ų | 108 | 67.8 Ų | 67.8 | 41% | 0.408 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 125.2 | 170.3 | 79.5 | -171 | -158.6 | 177.8 | 10 | 107.6 | L20 | L20-R79 HydrophobicContact CD2-CB 4.12Å; L20-R79 HydrophobicContact CD2-CG 3.81Å; L20-R79 HydrophobicContact CG-CG 4.29Å |
| 80 | E | 88.9 | Confident | 90.9 | Very high | 111 Ų | 111 | 66.4 Ų | 66.4 | 52% | 0.519 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 118.6 | 176.9 | -169.4 | 178.6 | -153.3 | 0 | 0 | 107.4 | K87 | E80-K87 HydrophobicContact CB-CB 4.39Å; E80-K87 PolarHBondContact N-O 2.84Å; E80-K87 PolarHBondContact O-N 2.66Å |
| 81 | I | 88.9 | Confident | 90.9 | Very high | 78 Ų | 78 | 62.7 Ų | 62.7 | 40% | 0.4 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 107.8 | -179.1 | -56.8 | 169.3 | 0 | 0 | 0 | 106.1 | V86 | I81-V86 HydrophobicContact CG1-CG1 4.44Å; I81-V86 HydrophobicContact CG2-CG2 4.45Å |
| 82 | Q | 88.1 | Confident | 90.9 | Very high | 141 Ų | 141 | 57.7 Ų | 57.7 | 66% | 0.659 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 90.9 | 177.4 | -168.4 | 69.8 | 30.9 | 0 | 0 | 108.5 | D84 K85 | Q82-D84 PolarHBondContact O-N 3.21Å; Q82-K85 PolarHBondContact N-O 2.82Å; Q82-K85 PolarHBondContact O-N 2.9Å; Q82-K85 VanDerWaalsContact O-N 3.09Å |
| 83 | G | 86.9 | Confident | 90.8 | Very high | 63 Ų | 63 | 58.9 Ų | 58.9 | 65% | 0.649 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | -126.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | K85 | G83-K85 VanDerWaalsContact C-N 3.29Å; G83-K85 PolarHBondContact O-N 3.15Å |
| 84 | D | 83.8 | Confident | 90.7 | Very high | 155 Ų | 155 | 55.6 Ų | 55.6 | 83% | 0.829 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -15 | 177.8 | -56.6 | -78.9 | 0 | 0 | 0 | 114.5 | Q82 | Q82-D84 PolarHBondContact O-N 3.21Š|
| 85 | K | 86.4 | Confident | 90.7 | Very high | 161 Ų | 161 | 55.9 Ų | 55.9 | 70% | 0.7 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 112.4 | -177.3 | -65.6 | -179 | -177 | 177.5 | 0 | 109.6 | Q82 G83 | Q82-K85 PolarHBondContact N-O 2.82Å; Q82-K85 PolarHBondContact O-N 2.9Å; Q82-K85 VanDerWaalsContact O-N 3.09Å; G83-K85 VanDerWaalsContact C-N 3.29Å; G83-K85 PolarHBondContact O-N 3.15Å |
| 86 | V | 88.2 | Confident | 90.6 | Very high | 32 Ų | 32 | 58.7 Ų | 58.7 | 19% | 0.194 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 118.9 | 176.3 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | L17 K45 I81 M88 | L17-V86 HydrophobicContact CD1-CG1 4.2Å; L17-V86 HydrophobicContact CD2-CG1 3.52Å; L17-V86 HydrophobicContact CG-CG1 4.41Å; K45-V86 HydrophobicContact CD-CB 4.39Å; K45-V86 HydrophobicContact CG-CB 4.26Å; K45-V86 HydrophobicContact CG-CG1 4.37Å; I81-V86 HydrophobicContact CG1-CG1 4.44Å; I81-V86 HydrophobicContact CG2-CG2 4.45Å; V86-M88 HydrophobicContact CG1-CG 4.21Å |
| 87 | K | 90.1 | Very high | 90.5 | Very high | 131 Ų | 131 | 62.2 Ų | 62.2 | 57% | 0.57 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 127.5 | 174.3 | -64.7 | 179 | -176.1 | 173.5 | 0 | 109.3 | E80 | E80-K87 HydrophobicContact CB-CB 4.39Å; E80-K87 PolarHBondContact N-O 2.84Å; E80-K87 PolarHBondContact O-N 2.66Å |
| 88 | M | 92 | Very high | 90.4 | Very high | 7 Ų | 7 | 63.5 Ų | 63.5 | 3% | 0.034 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.3 | 179 | -63.8 | 177.1 | 71.3 | 0 | 0 | 109.6 | L17 P18 K45 G47 L48 V86 F90 | L17-M88 HydrophobicContact CD2-CE 4.09Å; L17-M88 HydrophobicContact CD2-CG 4.03Å; L17-M88 HydrophobicContact CD2-SD 3.66Å; P18-M88 HydrophobicContact CG-CE 3.25Å; K45-M88 HydrophobicContact CB-SD 3.82Å; G47-M88 WeakPolarHBondContact CA-O 3.01Å; L48-M88 PolarHBondContact N-O 2.8Å; V86-M88 HydrophobicContact CG1-CG 4.21Å; M88-F90 HydrophobicContact CB-CE1 4.27Å; M88-F90 HydrophobicContact CB-CZ 4.1Å; M88-F90 HydrophobicContact CE-CE1 3.73Å; M88-F90 HydrophobicContact CE-CZ 3.55Å; M88-F90 HydrophobicContact SD-CZ 4.45Å |
| 89 | S | 93.2 | Very high | 90.3 | Very high | 63 Ų | 63 | 66.8 Ų | 66.8 | 44% | 0.441 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 125.4 | 178.1 | -62.1 | 0 | 0 | 0 | 0 | 110.3 | I77 G78 | I77-S89 PolarHBondContact N-O 2.9Å; G78-S89 PolarHBondContact N-O 3.48Å; G78-S89 PolarHBondContact O-N 3.19Å |
| 90 | F | 94 | Very high | 90.1 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.009 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 153.9 | -175.4 | -62.8 | -41.1 | 0 | 0 | 0 | 112.4 | V38 L40 L48 V49 E53 I74 K75 V76 M88 | V38-F90 HydrophobicContact CB-CD2 4.3Å; V38-F90 HydrophobicContact CB-CE2 4.45Å; L40-F90 HydrophobicContact CD1-CE1 3.95Å; L40-F90 HydrophobicContact CD1-CE2 4.41Å; L40-F90 HydrophobicContact CD1-CZ 3.57Å; L40-F90 HydrophobicContact CG-CZ 4.13Å; L48-F90 PolarHBondContact O-N 2.87Å; V49-F90 HydrophobicContact CG2-CB 3.64Å; V49-F90 HydrophobicContact CG2-CD2 4.41Å; E53-F90 WeakPolarHBondContact CB-O 3.02Å; I74-F90 HydrophobicContact CB-CB 4.31Å; I74-F90 HydrophobicContact CD1-CB 3.96Å; I74-F90 HydrophobicContact CD1-CD1 3.63Å; I74-F90 HydrophobicContact CD1-CD2 3.4Å; I74-F90 HydrophobicContact CD1-CE1 3.87Å; I74-F90 HydrophobicContact CD1-CE2 3.59Å; I74-F90 HydrophobicContact CD1-CG 3.4Å; I74-F90 HydrophobicContact CD1-CZ 3.85Å; I74-F90 HydrophobicContact CG2-CB 4.5Å; K75-F90 WeakPolarHBondContact O-CA 3.17Å; V76-F90 HydrophobicContact CB-CD1 4.46Å; V76-F90 HydrophobicContact CB-CE1 4.46Å; V76-F90 HydrophobicContact CG1-CE1 4.33Å; V76-F90 HydrophobicContact CG2-CD1 4.13Å; V76-F90 HydrophobicContact CG2-CE1 3.83Å; M88-F90 HydrophobicContact CB-CE1 4.27Å; M88-F90 HydrophobicContact CB-CZ 4.1Å; M88-F90 HydrophobicContact CE-CE1 3.73Å; M88-F90 HydrophobicContact CE-CZ 3.55Å; M88-F90 HydrophobicContact SD-CZ 4.45Å |
| 91 | S | 94.3 | Very high | 90.2 | Very high | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.021 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.4 | 172.7 | -145.6 | 0 | 0 | 0 | 0 | 111.3 | E53 I74 K75 K93 | E53-S91 PolarHBondContact OE2-OG 2.98Å; I74-S91 WeakPolarHBondContact CA-O 3.41Å; K75-S91 PolarHBondContact N-O 3.03Å; K75-S91 PolarHBondContact O-N 2.93Å; S91-K93 WeakPolarHBondContact OG-CG 3.44Å |
| 92 | M | 93.6 | Very high | 90.3 | Very high | 11 Ų | 11 | 61.9 Ų | 61.9 | 5% | 0.054 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -95.7 | -32.3 | 167.2 | -66.1 | 174.4 | 64.3 | 0 | 0 | 111.4 | V49 E53 M54 V66 V72 I74 A94 V95 Q97 | V49-M92 HydrophobicContact CG1-CG 4.02Å; V49-M92 HydrophobicContact CG1-SD 4.16Å; V49-M92 HydrophobicContact CG2-CG 4.39Å; E53-M92 PolarHBondContact O-N 2.63Å; M54-M92 HydrophobicContact CE-SD 4.36Å; M54-M92 HydrophobicContact CG-SD 4.36Å; V66-M92 HydrophobicContact CG1-CE 3.69Å; V66-M92 HydrophobicContact CG1-SD 4.17Å; V72-M92 HydrophobicContact CB-CE 3.94Å; V72-M92 HydrophobicContact CG1-CE 3.75Å; V72-M92 HydrophobicContact CG2-CE 4.42Å; I74-M92 HydrophobicContact CG2-CG 3.69Å; M92-A94 PolarHBondContact O-N 3.24Å; M92-V95 PolarHBondContact O-N 2.75Å; M92-V95 VanDerWaalsContact O-N 3.16Å; M92-Q97 PolarHBondContact O-NE2 2.68Å |
| 93 | K | 92.1 | Very high | 90.3 | Very high | 26 Ų | 26 | 60 Ų | 60 | 11% | 0.113 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -24.6 | -179.6 | 68.9 | 179.8 | 177.8 | -154.7 | 0 | 114.2 | S52 E53 S91 V95 D113 | S52-K93 PolarHBondContact O-NZ 2.89Å; E53-K93 PolarHBondContact O-N 2.71Å; E53-K93 IonicContact OE1-NZ 3.24Å; E53-K93 PolarHBondContact OE1-NZ 3.01Å; E53-K93 WeakPolarHBondContact OE2-CE 3.42Å; E53-K93 IonicContact OE2-NZ 3.93Å; E53-K93 PolarHBondContact OE2-NZ 3.34Å; S91-K93 WeakPolarHBondContact OG-CG 3.44Å; K93-V95 PolarHBondContact O-N 3.03Å; K93-D113 VanDerWaalsContact NZ-CG 3.3Å; K93-D113 IonicContact NZ-OD1 2.63Å; K93-D113 IonicContact NZ-OD2 2.84Å; K93-D113 PolarHBondContact NZ-OD2 3.28Å |
| 94 | A | 92.1 | Very high | 90.3 | Very high | 5 Ų | 5 | 57.7 Ų | 57.7 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -5.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K75 M92 L103 D104 | K75-A94 HydrophobicContact CB-CB 4.3Å; K75-A94 HydrophobicContact CD-CB 3.87Å; M92-A94 PolarHBondContact O-N 3.24Å; A94-L103 WeakPolarHBondContact O-CB 3.45Å; A94-L103 PolarHBondContact O-N 3.29Å; A94-D104 HydrophobicContact CB-CB 4.29Å |
| 95 | V | 93.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -129.1 | 140.3 | -176.4 | -170 | 0 | 0 | 0 | 0 | 110.3 | I23 W73 K75 M92 K93 Q97 | I23-V95 HydrophobicContact CD1-CG1 4.21Å; I23-V95 HydrophobicContact CD1-CG2 4.08Å; I23-V95 HydrophobicContact CG1-CG2 3.97Å; I23-V95 HydrophobicContact CG2-CG1 3.89Å; I23-V95 HydrophobicContact CG2-CG2 4.31Å; W73-V95 HydrophobicContact CB-CB 4.39Å; W73-V95 HydrophobicContact CB-CG1 3.71Å; K75-V95 HydrophobicContact CB-CG2 3.54Å; M92-V95 PolarHBondContact O-N 2.75Å; M92-V95 VanDerWaalsContact O-N 3.16Å; K93-V95 PolarHBondContact O-N 3.03Å; V95-Q97 PolarHBondContact O-N 3.09Å |
| 96 | N | 92.6 | Very high | 90.4 | Very high | 62 Ų | 62 | 53 Ų | 53 | 33% | 0.332 | 30% | 0.303 | S | S | . | . | trans | -75.2 | 123.4 | 171 | -171.2 | -72.3 | 0 | 0 | 0 | 110.5 | G98 T99 G100 Q101 L103 | N96-G98 VanDerWaalsContact C-N 3.3Å; N96-G98 PolarHBondContact O-N 3Å; N96-G98 WeakPolarHBondContact OD1-CA 3.08Å; N96-G98 PolarHBondContact OD1-N 2.93Å; N96-T99 PolarHBondContact OD1-N 2.98Å; N96-G100 VanDerWaalsContact O-CA 3.25Å; N96-G100 WeakPolarHBondContact O-CA 3.17Å; N96-G100 PolarHBondContact O-N 2.75Å; N96-Q101 PolarHBondContact N-O 2.77Å; N96-L103 HydrophobicContact CB-CD1 4.31Å; N96-L103 HydrophobicContact CB-CD2 4.21Å; N96-L103 HydrophobicContact CB-CG 4.28Å | ||
| 97 | Q | 90.4 | Very high | 90.3 | Very high | 76 Ų | 76 | 53.1 Ų | 53.1 | 36% | 0.355 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -22.3 | -177.1 | -59.7 | -56.4 | -42.5 | 0 | 0 | 114 | W73 M92 V95 | W73-Q97 PolarHBondContact O-NE2 3.16Å; W73-Q97 PolarHBondContact O-OE1 2.98Å; M92-Q97 PolarHBondContact O-NE2 2.68Å; V95-Q97 PolarHBondContact O-N 3.09Å |
| 98 | G | 89.2 | Confident | 90.2 | Very high | 70 Ų | 70 | 50.4 Ų | 50.4 | 72% | 0.722 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -46.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | N96 | N96-G98 VanDerWaalsContact C-N 3.3Å; N96-G98 PolarHBondContact O-N 3Å; N96-G98 WeakPolarHBondContact OD1-CA 3.08Å; N96-G98 PolarHBondContact OD1-N 2.93Å |
| 99 | T | 88.3 | Confident | 89.9 | Confident | 92 Ų | 92 | 53.5 Ų | 53.5 | 56% | 0.564 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -14.1 | -172.5 | -36.4 | 0 | 0 | 0 | 0 | 113.3 | N96 Q101 | N96-T99 PolarHBondContact OD1-N 2.98Å; T99-Q101 HydrophobicContact CG2-CG 3.75Å; T99-Q101 PolarHBondContact O-N 3.17Å |
| 100 | G | 86.9 | Confident | 89.6 | Confident | 13 Ų | 13 | 51.3 Ų | 51.3 | 13% | 0.134 | 30% | 0.298 | C | S | . | . | trans | 67.1 | 13.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | N96 | N96-G100 VanDerWaalsContact O-CA 3.25Å; N96-G100 WeakPolarHBondContact O-CA 3.17Å; N96-G100 PolarHBondContact O-N 2.75Å | ||
| 101 | Q | 89.8 | Confident | 89.2 | Confident | 125 Ų | 125 | 54.8 Ų | 54.8 | 58% | 0.584 | 32% | 0.317 | S | S | * | . | trans | -76.4 | 143.6 | 179 | -73.3 | -175.5 | -15.6 | 0 | 0 | 111.5 | N96 T99 L103 | N96-Q101 PolarHBondContact N-O 2.77Å; T99-Q101 HydrophobicContact CG2-CG 3.75Å; T99-Q101 PolarHBondContact O-N 3.17Å; Q101-L103 PolarHBondContact O-N 2.7Å | ||
| 102 | D | 90.7 | Very high | 88.9 | Confident | 57 Ų | 57 | 59.4 Ų | 59.4 | 31% | 0.305 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -70.2 | 121.2 | 173.4 | -160.2 | -3.8 | 0 | 0 | 0 | 110.3 | I23 K75 D104 | I23-D102 HydrophobicContact CD1-CB 3.48Å; I23-D102 VanDerWaalsContact CD1-CB 3.48Å; K75-D102 IonicContact NZ-OD1 2.7Å; K75-D102 PolarHBondContact NZ-OD1 3.1Å; K75-D102 IonicContact NZ-OD2 2.71Å; K75-D102 PolarHBondContact NZ-OD2 2.85Å; D102-D104 PolarHBondContact OD1-N 3.43Å; D102-D104 VanDerWaalsContact OD1-N 3.15Å |
| 103 | L | 88.4 | Confident | 88.5 | Confident | 101 Ų | 101 | 59.6 Ų | 59.6 | 53% | 0.529 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -90.3 | -18.8 | 176.1 | -62 | 176.7 | 0 | 0 | 0 | 112.1 | A94 N96 Q101 | A94-L103 WeakPolarHBondContact O-CB 3.45Å; A94-L103 PolarHBondContact O-N 3.29Å; N96-L103 HydrophobicContact CB-CD1 4.31Å; N96-L103 HydrophobicContact CB-CD2 4.21Å; N96-L103 HydrophobicContact CB-CG 4.28Å; Q101-L103 PolarHBondContact O-N 2.7Å |
| 104 | D | 87 | Confident | 88.2 | Confident | 15 Ų | 15 | 60.7 Ų | 60.7 | 8% | 0.08 | 35% | 0.353 | C | S | . | . | trans | -130.7 | 67.5 | -177.4 | -169.7 | -147.4 | 0 | 0 | 0 | 111.3 | K75 A94 D102 N106 N107 V108 M109 | K75-D104 PolarHBondContact NZ-O 3.45Å; A94-D104 HydrophobicContact CB-CB 4.29Å; D102-D104 PolarHBondContact OD1-N 3.43Å; D102-D104 VanDerWaalsContact OD1-N 3.15Å; D104-N106 PolarHBondContact O-N 3.29Å; D104-N106 VanDerWaalsContact O-N 3.17Å; D104-N107 PolarHBondContact O-N 2.91Å; D104-N107 WeakPolarHBondContact OD1-CA 3.41Å; D104-V108 PolarHBondContact OD1-N 2.85Å; D104-V108 PolarHBondContact OD2-N 2.97Å; D104-V108 VanDerWaalsContact OD2-N 3.09Å; D104-M109 HydrophobicContact CB-CG 4.48Å; D104-M109 HydrophobicContact CB-SD 4.47Å; D104-M109 WeakPolarHBondContact OD1-CB 3.1Å; D104-M109 PolarHBondContact OD1-N 3.38Å | ||
| 105 | P | 85.3 | Confident | 87.8 | Confident | 87 Ų | 87 | 67.8 Ų | 67.8 | 57% | 0.565 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -28.2 | -178.1 | 23.8 | -33.6 | 0 | 0 | 0 | 112.9 | ||
| 106 | N | 87.6 | Confident | 87.4 | Confident | 129 Ų | 129 | 75 Ų | 75 | 69% | 0.69 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -2.2 | 178.9 | -66.8 | 67.5 | 0 | 0 | 0 | 113.6 | D104 V108 | D104-N106 PolarHBondContact O-N 3.29Å; D104-N106 VanDerWaalsContact O-N 3.17Å; N106-V108 HydrophobicContact CB-CG2 3.64Å; N106-V108 PolarHBondContact O-N 3.48Å; N106-V108 VanDerWaalsContact O-N 3.16Å |
| 107 | N | 86.4 | Confident | 86.7 | Confident | 35 Ų | 35 | 78 Ų | 78 | 19% | 0.187 | 41% | 0.412 | C | S | . | . | trans | 53.7 | 29.5 | -176.4 | -57 | -71.8 | 0 | 0 | 0 | 113.6 | H21 K75 D104 M109 A110 D111 | H21-N107 PolarHBondContact ND1-ND2 2.93Å; H21-N107 PolarHBondContact ND1-OD1 3.17Å; K75-N107 WeakPolarHBondContact CE-OD1 3.48Å; K75-N107 PolarHBondContact NZ-OD1 2.91Å; K75-N107 VanDerWaalsContact NZ-OD1 3.1Å; D104-N107 PolarHBondContact O-N 2.91Å; D104-N107 WeakPolarHBondContact OD1-CA 3.41Å; N107-M109 VanDerWaalsContact C-N 3.34Å; N107-A110 HydrophobicContact CB-CB 4.42Å; N107-A110 PolarHBondContact O-N 2.99Å; N107-D111 PolarHBondContact O-N 2.9Å; N107-D111 VanDerWaalsContact O-N 3.07Å | ||
| 108 | V | 87.9 | Confident | 86 | Confident | 75 Ų | 75 | 82.7 Ų | 82.7 | 46% | 0.455 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -71.1 | -34.2 | -174.9 | 167.6 | 0 | 0 | 0 | 0 | 110.6 | D104 N106 Q112 | D104-V108 PolarHBondContact OD1-N 2.85Å; D104-V108 PolarHBondContact OD2-N 2.97Å; D104-V108 VanDerWaalsContact OD2-N 3.09Å; N106-V108 HydrophobicContact CB-CG2 3.64Å; N106-V108 PolarHBondContact O-N 3.48Å; N106-V108 VanDerWaalsContact O-N 3.16Å; V108-Q112 WeakPolarHBondContact O-CB 3.35Å; V108-Q112 VanDerWaalsContact O-CG 3.27Å; V108-Q112 WeakPolarHBondContact O-CG 3.48Å; V108-Q112 PolarHBondContact O-N 3.16Å; V108-Q112 VanDerWaalsContact O-N 3.14Å; V108-Q112 PolarHBondContact O-NE2 3.21Å |
| 109 | M | 85.8 | Confident | 84.8 | Confident | 72 Ų | 72 | 87.1 Ų | 87.1 | 36% | 0.355 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69 | -44.8 | 176.2 | -59.1 | -175.5 | 79.6 | 0 | 0 | 110.3 | D104 N107 D111 Q112 D113 | D104-M109 HydrophobicContact CB-CG 4.48Å; D104-M109 HydrophobicContact CB-SD 4.47Å; D104-M109 WeakPolarHBondContact OD1-CB 3.1Å; D104-M109 PolarHBondContact OD1-N 3.38Å; N107-M109 VanDerWaalsContact C-N 3.34Å; M109-D111 PolarHBondContact O-N 2.7Å; M109-Q112 PolarHBondContact O-N 3.46Å; M109-D113 PolarHBondContact O-N 3.31Å; M109-D113 VanDerWaalsContact O-OD2 3.1Å |
| 110 | A | 85.6 | Confident | 83 | Confident | 16 Ų | 16 | 90.6 Ų | 90.6 | 13% | 0.132 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I77 N107 D113 A114 | I77-A110 HydrophobicContact CG2-CB 3.66Å; N107-A110 HydrophobicContact CB-CB 4.42Å; N107-A110 PolarHBondContact O-N 2.99Å; A110-D113 PolarHBondContact O-N 3.22Å; A110-A114 VanDerWaalsContact O-CB 3.3Å; A110-A114 WeakPolarHBondContact O-CB 3.4Å; A110-A114 PolarHBondContact O-N 2.79Å |
| 111 | D | 86.9 | Confident | 81.7 | Confident | 75 Ų | 75 | 100 Ų | 100 | 40% | 0.401 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 176.9 | -174.7 | -113.2 | 0 | 0 | 0 | 111.8 | N107 M109 A114 R115 | N107-D111 PolarHBondContact O-N 2.9Å; N107-D111 VanDerWaalsContact O-N 3.07Å; M109-D111 PolarHBondContact O-N 2.7Å; D111-A114 PolarHBondContact O-N 3.07Å; D111-R115 WeakPolarHBondContact O-CB 3.3Å; D111-R115 VanDerWaalsContact O-CG 3.29Å; D111-R115 WeakPolarHBondContact O-CG 3.36Å; D111-R115 PolarHBondContact O-N 3.14Å; D111-R115 IonicContact OD1-CZ 3.92Å; D111-R115 IonicContact OD1-NE 2.99Å; D111-R115 PolarHBondContact OD1-NE 3.46Å; D111-R115 IonicContact OD1-NH2 2.79Å; D111-R115 PolarHBondContact OD1-NH2 2.94Å; D111-R115 IonicContact OD2-NE 3.69Å; D111-R115 IonicContact OD2-NH2 2.71Å |
| 112 | Q | 87.3 | Confident | 80.1 | Confident | 101 Ų | 101 | 98.5 Ų | 98.5 | 47% | 0.472 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 175.5 | -77.7 | 179.7 | 67.7 | 0 | 0 | 112.3 | V108 M109 R115 R116 | V108-Q112 WeakPolarHBondContact O-CB 3.35Å; V108-Q112 VanDerWaalsContact O-CG 3.27Å; V108-Q112 WeakPolarHBondContact O-CG 3.48Å; V108-Q112 PolarHBondContact O-N 3.16Å; V108-Q112 VanDerWaalsContact O-N 3.14Å; V108-Q112 PolarHBondContact O-NE2 3.21Å; M109-Q112 PolarHBondContact O-N 3.46Å; Q112-R115 PolarHBondContact O-N 3.36Å; Q112-R116 WeakPolarHBondContact O-CB 3.27Å; Q112-R116 PolarHBondContact O-N 2.92Å |
| 113 | D | 85.8 | Confident | 78.4 | Confident | 15 Ų | 15 | 103.6 Ų | 103.6 | 8% | 0.08 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -67.3 | -38.5 | 177.5 | -80.2 | -62.4 | 0 | 0 | 0 | 112.2 | K93 M109 A110 R116 R117 | K93-D113 VanDerWaalsContact NZ-CG 3.3Å; K93-D113 IonicContact NZ-OD1 2.63Å; K93-D113 IonicContact NZ-OD2 2.84Å; K93-D113 PolarHBondContact NZ-OD2 3.28Å; M109-D113 PolarHBondContact O-N 3.31Å; M109-D113 VanDerWaalsContact O-OD2 3.1Å; A110-D113 PolarHBondContact O-N 3.22Å; D113-R116 PolarHBondContact O-N 3.48Å; D113-R116 IonicContact OD1-CZ 2.75Å; D113-R116 IonicContact OD1-NH1 3.64Å; D113-R116 PolarHBondContact OD1-NH1 3.36Å; D113-R116 IonicContact OD1-NH2 3.77Å; D113-R117 WeakPolarHBondContact O-CG 3.29Å; D113-R117 PolarHBondContact O-N 2.71Å |
| 114 | A | 84.3 | Confident | 77 | Confident | 48 Ų | 48 | 103.3 Ų | 103.3 | 40% | 0.397 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A110 D111 R117 K118 | A110-A114 VanDerWaalsContact O-CB 3.3Å; A110-A114 WeakPolarHBondContact O-CB 3.4Å; A110-A114 PolarHBondContact O-N 2.79Å; D111-A114 PolarHBondContact O-N 3.07Å; A114-R117 PolarHBondContact O-N 2.91Å; A114-K118 PolarHBondContact O-N 2.91Å |
| 115 | R | 85.3 | Confident | 75.5 | Confident | 154 Ų | 154 | 107.8 Ų | 107.8 | 58% | 0.581 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.2 | -45 | 174.6 | -73.3 | 177.4 | -166.2 | -162.6 | 6.9 | 111.9 | D111 Q112 R117 K118 Q119 | D111-R115 WeakPolarHBondContact O-CB 3.3Å; D111-R115 VanDerWaalsContact O-CG 3.29Å; D111-R115 WeakPolarHBondContact O-CG 3.36Å; D111-R115 PolarHBondContact O-N 3.14Å; D111-R115 IonicContact OD1-CZ 3.92Å; D111-R115 IonicContact OD1-NE 2.99Å; D111-R115 PolarHBondContact OD1-NE 3.46Å; D111-R115 IonicContact OD1-NH2 2.79Å; D111-R115 PolarHBondContact OD1-NH2 2.94Å; D111-R115 IonicContact OD2-NE 3.69Å; D111-R115 IonicContact OD2-NH2 2.71Å; Q112-R115 PolarHBondContact O-N 3.36Å; R115-R117 VanDerWaalsContact C-N 3.29Å; R115-R117 PolarHBondContact O-N 3.38Å; R115-K118 PolarHBondContact O-N 2.89Å; R115-K118 VanDerWaalsContact O-N 3.09Å; R115-Q119 PolarHBondContact O-N 3.07Å |
| 116 | R | 83.5 | Confident | 74.4 | Confident | 156 Ų | 156 | 110 Ų | 110 | 59% | 0.589 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.6 | -38.8 | 177.8 | -159 | -175.2 | -54.8 | 130.1 | 9.5 | 111.5 | Q112 D113 | Q112-R116 WeakPolarHBondContact O-CB 3.27Å; Q112-R116 PolarHBondContact O-N 2.92Å; D113-R116 PolarHBondContact O-N 3.48Å; D113-R116 IonicContact OD1-CZ 2.75Å; D113-R116 IonicContact OD1-NH1 3.64Å; D113-R116 PolarHBondContact OD1-NH1 3.36Å; D113-R116 IonicContact OD1-NH2 3.77Å |
| 117 | R | 78.4 | Confident | 73 | Confident | 126 Ų | 126 | 114.2 Ų | 114.2 | 48% | 0.475 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.4 | -31.9 | 173.9 | -71.2 | 177.5 | -165 | 144.9 | 17.7 | 113.4 | E53 D113 A114 R115 | E53-R117 IonicContact OE1-CZ 3.68Å; E53-R117 IonicContact OE1-NH1 3.44Å; E53-R117 IonicContact OE1-NH2 2.7Å; E53-R117 PolarHBondContact OE1-NH2 3.42Å; D113-R117 WeakPolarHBondContact O-CG 3.29Å; D113-R117 PolarHBondContact O-N 2.71Å; A114-R117 PolarHBondContact O-N 2.91Å; R115-R117 VanDerWaalsContact C-N 3.29Å; R115-R117 PolarHBondContact O-N 3.38Å |
| 118 | K | 75.8 | Confident | 71.7 | Confident | 175 Ų | 175 | 120.1 Ų | 120.1 | 76% | 0.761 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -73.8 | -29.4 | 176.9 | -119.5 | 81.1 | 179.2 | -172.8 | 0 | 112.3 | A114 R115 F120 | A114-K118 PolarHBondContact O-N 2.91Å; R115-K118 PolarHBondContact O-N 2.89Å; R115-K118 VanDerWaalsContact O-N 3.09Å; K118-F120 PolarHBondContact O-N 2.83Å |
| 119 | Q | 63.4 | Low | 70.2 | Confident | 162 Ų | 162 | 120.2 Ų | 120.2 | 76% | 0.757 | 57% | 0.569 | S | S | * | * | trans | -96.1 | 72.8 | -174.4 | -72.1 | -173.3 | -22 | 0 | 0 | 112.5 | R115 | R115-Q119 PolarHBondContact O-N 3.07Š| ||
| 120 | F | 51.2 | Low | 69 | Low | 166 Ų | 166 | 125 Ų | 125 | 73% | 0.728 | 60% | 0.595 | S | S | * | * | trans | -142 | 62.9 | 142 | -162.6 | -95.5 | 0 | 0 | 0 | 108.1 | K118 D122 | K118-F120 PolarHBondContact O-N 2.83Å; F120-D122 WeakPolarHBondContact CE1-OD2 3.17Å; F120-D122 WeakPolarHBondContact CZ-OD2 3.18Å | ||
| 121 | R | 58.5 | Low | 67.8 | Low | 209 Ų | 209 | 131.3 Ų | 131.3 | 79% | 0.789 | 62% | 0.622 | S | S | * | * | trans | -105.7 | 99.3 | 156.6 | -69.2 | -170.8 | 83.2 | 178 | 5.7 | 104.8 | H123 | R121-H123 PolarHBondContact O-N 2.98Š| ||
| 122 | D | 56.4 | Low | 66.4 | Low | 95 Ų | 95 | 131.9 Ų | 131.9 | 51% | 0.508 | 64% | 0.637 | S | S | . | * | trans | -55.5 | 85.9 | 154.8 | -62.9 | -45.2 | 0 | 0 | 0 | 106.7 | F120 T124 S125 | F120-D122 WeakPolarHBondContact CE1-OD2 3.17Å; F120-D122 WeakPolarHBondContact CZ-OD2 3.18Å; D122-T124 PolarHBondContact O-N 3.39Å; D122-S125 PolarHBondContact O-N 3.4Å | ||
| 123 | H | 56.6 | Low | 65.1 | Low | 163 Ų | 163 | 131 Ų | 131 | 76% | 0.755 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -71.4 | 3.3 | 164.3 | -139.5 | 72.2 | 0 | 0 | 0 | 110.5 | R121 | R121-H123 PolarHBondContact O-N 2.98Š|
| 124 | T | 58.6 | Low | 63.9 | Low | 96 Ų | 96 | 134 Ų | 134 | 59% | 0.589 | 65% | 0.654 | S | S | * | * | trans | -99.1 | 53.7 | 163.5 | 61 | 0 | 0 | 0 | 0 | 110 | D122 N126 | D122-T124 PolarHBondContact O-N 3.39Å; T124-N126 CarbonylContact O-C 3.45Å; T124-N126 PolarHBondContact O-N 3.09Å | ||
| 125 | S | 55.9 | Low | 62.9 | Low | 109 Ų | 109 | 139.3 Ų | 139.3 | 76% | 0.762 | 68% | 0.676 | S | S | * | * | trans | -65.8 | -10.8 | 152.5 | 59.9 | 0 | 0 | 0 | 0 | 111.1 | D122 R127 | D122-S125 PolarHBondContact O-N 3.4Å; S125-R127 PolarHBondContact O-N 2.98Å | ||
| 126 | N | 61.1 | Low | 62.1 | Low | 133 Ų | 133 | 134.2 Ų | 134.2 | 71% | 0.711 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -65.5 | 92.8 | 150.5 | -79.3 | 3.8 | 0 | 0 | 0 | 107.7 | T124 I128 | T124-N126 CarbonylContact O-C 3.45Å; T124-N126 PolarHBondContact O-N 3.09Å; N126-I128 PolarHBondContact O-N 2.86Å; N126-I128 VanDerWaalsContact O-N 3.16Å |
| 127 | R | 59.4 | Low | 61.7 | Low | 218 Ų | 218 | 131 Ų | 131 | 82% | 0.823 | 66% | 0.659 | S | S | * | * | trans | -40.8 | 126.1 | 151.8 | -76.6 | -172.8 | -178.1 | -172 | 1.4 | 106.4 | S125 T129 | S125-R127 PolarHBondContact O-N 2.98Å; R127-T129 HydrophobicContact CB-CG2 4.26Å; R127-T129 PolarHBondContact O-N 2.93Å | ||
| 128 | I | 58.7 | Low | 61.5 | Low | 158 Ų | 158 | 125.2 Ų | 125.2 | 81% | 0.81 | 64% | 0.638 | S | S | * | * | trans | -66.1 | 87.9 | 157.7 | -60 | 162.4 | 0 | 0 | 0 | 103.6 | N126 L130 | N126-I128 PolarHBondContact O-N 2.86Å; N126-I128 VanDerWaalsContact O-N 3.16Å; I128-L130 PolarHBondContact O-N 3.31Å | ||
| 129 | T | 55.8 | Low | 61.6 | Low | 78 Ų | 78 | 122.1 Ų | 122.1 | 48% | 0.479 | 64% | 0.639 | S | S | . | * | trans | -62.6 | 130.4 | 164 | 50.5 | 0 | 0 | 0 | 0 | 104.8 | R127 E131 | R127-T129 HydrophobicContact CB-CG2 4.26Å; R127-T129 PolarHBondContact O-N 2.93Å; T129-E131 PolarHBondContact O-N 3.09Å | ||
| 130 | L | 60.6 | Low | 62 | Low | 172 Ų | 172 | 122.1 Ų | 122.1 | 90% | 0.901 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -66.4 | 16.2 | 171.4 | -68.6 | 160.2 | 0 | 0 | 0 | 111.6 | I128 A132 | I128-L130 PolarHBondContact O-N 3.31Å; L130-A132 PolarHBondContact O-N 3.43Å |
| 131 | E | 59.9 | Low | 63.3 | Low | 148 Ų | 148 | 116.2 Ų | 116.2 | 69% | 0.692 | 62% | 0.615 | S | S | * | * | trans | -78.4 | 33.6 | 172 | -64.5 | -174.7 | 125.7 | 0 | 0 | 111.8 | T129 V133 | T129-E131 PolarHBondContact O-N 3.09Å; E131-V133 PolarHBondContact O-N 3.34Å | ||
| 132 | A | 57.1 | Low | 64 | Low | 87 Ų | 87 | 108.8 Ų | 108.8 | 72% | 0.719 | 60% | 0.604 | S | S | * | * | trans | -68.8 | 51 | 147.4 | 0 | 0 | 0 | 0 | 0 | 109 | L130 L134 | L130-A132 PolarHBondContact O-N 3.43Å; A132-L134 PolarHBondContact O-N 2.73Å | ||
| 133 | V | 61.3 | Low | 64.5 | Low | 82 Ų | 82 | 107.9 Ų | 107.9 | 50% | 0.497 | 60% | 0.604 | S | S | . | * | trans | -64.8 | 99.9 | 154.2 | -179.9 | 0 | 0 | 0 | 0 | 102.7 | E131 N135 | E131-V133 PolarHBondContact O-N 3.34Å; V133-N135 PolarHBondContact O-N 3.37Å; V133-N135 PolarHBondContact O-OD1 3.32Å | ||
| 134 | L | 60 | Low | 65.3 | Low | 79 Ų | 79 | 107.7 Ų | 107.7 | 41% | 0.414 | 60% | 0.601 | S | S | . | * | trans | -45.4 | 119.9 | 172.9 | -65.5 | 153.5 | 0 | 0 | 0 | 106.5 | A132 T136 F147 | A132-L134 PolarHBondContact O-N 2.73Å; L134-T136 HydrophobicContact CB-CG2 4.13Å; L134-T136 VanDerWaalsContact CB-OG1 3.24Å; L134-T136 WeakPolarHBondContact CB-OG1 3.44Å; L134-T136 PolarHBondContact O-N 3.38Å; L134-F147 HydrophobicContact CD1-CD2 4.4Å; L134-F147 HydrophobicContact CD1-CE2 3.88Å; L134-F147 HydrophobicContact CD2-CE2 4.44Å | ||
| 135 | N | 63.2 | Low | 66.1 | Low | 160 Ų | 160 | 104.7 Ų | 104.7 | 86% | 0.856 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -65.3 | 20.2 | 171.8 | -68.1 | 9.6 | 0 | 0 | 0 | 111.6 | V133 | V133-N135 PolarHBondContact O-N 3.37Å; V133-N135 PolarHBondContact O-OD1 3.32Å |
| 136 | T | 69.6 | Low | 67.1 | Low | 46 Ų | 46 | 101.6 Ų | 101.6 | 28% | 0.282 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -87.1 | 116.2 | 175.9 | 61.9 | 0 | 0 | 0 | 0 | 108.2 | L134 G145 F147 | L134-T136 HydrophobicContact CB-CG2 4.13Å; L134-T136 VanDerWaalsContact CB-OG1 3.24Å; L134-T136 WeakPolarHBondContact CB-OG1 3.44Å; L134-T136 PolarHBondContact O-N 3.38Å; T136-G145 PolarHBondContact O-N 2.79Å; T136-G145 VanDerWaalsContact O-N 3.09Å; T136-F147 HydrophobicContact CG2-CE1 4.2Å; T136-F147 HydrophobicContact CG2-CZ 4.28Å |
| 137 | T | 75.4 | Confident | 67.7 | Low | 88 Ų | 88 | 100.5 Ų | 100.5 | 54% | 0.54 | 55% | 0.552 | S | S | . | * | B | Isolated β-bridge | trans | -80.9 | 130.6 | 166.4 | 38.8 | 0 | 0 | 0 | 0 | 109 | S139 K144 | T137-S139 PolarHBondContact O-N 3.39Å; T137-K144 HydrophobicContact CG2-CG 3.8Å |
| 138 | C | 73.4 | Confident | 68.4 | Low | 5 Ų | 5 | 92.5 Ų | 92.5 | 3% | 0.034 | 53% | 0.527 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 126.8 | 174.8 | 178 | 0 | 0 | 0 | 0 | 110.1 | K140 C141 G142 C143 H146 | C138-K140 PolarHBondContact O-N 3.04Å; C138-K140 PolarHBondContact SG-N 3.39Å; C138-C141 VanDerWaalsContact CB-SG 3.6Å; C138-C141 VanDerWaalsContact SG-SG 3.61Å; C138-G142 VanDerWaalsContact O-CA 3.27Å; C138-G142 WeakPolarHBondContact O-CA 3.48Å; C138-G142 PolarHBondContact O-N 3.2Å; C138-C143 PolarHBondContact N-O 3.42Å; C138-H146 WeakPolarHBondContact CB-NE2 3.47Å; C138-H146 PolarHBondContact SG-NE2 3.16Å |
| 139 | S | 78.5 | Confident | 68.9 | Low | 111 Ų | 111 | 94.4 Ų | 94.4 | 78% | 0.776 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -5 | 178.8 | 26 | 0 | 0 | 0 | 0 | 114.7 | T137 T148 | T137-S139 PolarHBondContact O-N 3.39Å; S139-T148 WeakPolarHBondContact OG-CG2 3.24Å |
| 140 | K | 72 | Confident | 69.6 | Low | 161 Ų | 161 | 96 Ų | 96 | 70% | 0.7 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -38 | 174.6 | -74.8 | -177.4 | 177.2 | 179.7 | 0 | 113.9 | C138 T148 C151 | C138-K140 PolarHBondContact O-N 3.04Å; C138-K140 PolarHBondContact SG-N 3.39Å; K140-T148 HydrophobicContact CG-CG2 4.19Å; K140-C151 HydrophobicContact CD-CB 4.49Å |
| 141 | C | 77.6 | Confident | 70 | Confident | 42 Ų | 42 | 88.9 Ų | 88.9 | 28% | 0.284 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | -5.8 | -174.6 | 63.8 | 0 | 0 | 0 | 0 | 114.2 | C138 C143 H146 C151 | C138-C141 VanDerWaalsContact CB-SG 3.6Å; C138-C141 VanDerWaalsContact SG-SG 3.61Å; C141-C143 PolarHBondContact O-N 2.86Å; C141-C143 VanDerWaalsContact O-N 3.1Å; C141-H146 PolarHBondContact SG-CE1 2.96Å; C141-H146 PolarHBondContact SG-NE2 3.43Å; C141-H146 VanDerWaalsContact SG-NE2 3.36Å; C141-C151 VanDerWaalsContact SG-SG 3.64Å |
| 142 | G | 73.8 | Confident | 70.4 | Confident | 54 Ų | 54 | 90.3 Ų | 90.3 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | trans | 73.3 | -7.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | C138 | C138-G142 VanDerWaalsContact O-CA 3.27Å; C138-G142 WeakPolarHBondContact O-CA 3.48Å; C138-G142 PolarHBondContact O-N 3.2Å | ||
| 143 | C | 66.6 | Low | 70.7 | Confident | 75 Ų | 75 | 90.3 Ų | 90.3 | 51% | 0.507 | 50% | 0.499 | S | S | . | . | trans | -72.1 | 144.2 | 178.1 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | C138 C141 | C138-C143 PolarHBondContact N-O 3.42Å; C141-C143 PolarHBondContact O-N 2.86Å; C141-C143 VanDerWaalsContact O-N 3.1Å | ||
| 144 | K | 73.4 | Confident | 70.8 | Confident | 160 Ų | 160 | 89.6 Ų | 89.6 | 70% | 0.696 | 50% | 0.502 | S | S | * | . | B | Isolated β-bridge | trans | -80.5 | 145.2 | 176.7 | -60.9 | -168.4 | 178.8 | -163.9 | 0 | 110.7 | T137 | T137-K144 HydrophobicContact CG2-CG 3.8Å |
| 145 | G | 75.7 | Confident | 70.6 | Confident | 33 Ų | 33 | 92.5 Ų | 92.5 | 34% | 0.34 | 53% | 0.525 | S | S | . | . | S | Bend | trans | 102.6 | 9.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | T136 | T136-G145 PolarHBondContact O-N 2.79Å; T136-G145 VanDerWaalsContact O-N 3.09Å |
| 146 | H | 75.2 | Confident | 70.4 | Confident | 43 Ų | 43 | 87.9 Ų | 87.9 | 20% | 0.199 | 52% | 0.516 | C | S | . | . | trans | -148.2 | 159 | 170 | 70.3 | -77.7 | 0 | 0 | 0 | 112.9 | C138 C141 C151 | C138-H146 WeakPolarHBondContact CB-NE2 3.47Å; C138-H146 PolarHBondContact SG-NE2 3.16Å; C141-H146 PolarHBondContact SG-CE1 2.96Å; C141-H146 PolarHBondContact SG-NE2 3.43Å; C141-H146 VanDerWaalsContact SG-NE2 3.36Å; H146-C151 VanDerWaalsContact CD2-CA 3.47Å; H146-C151 WeakPolarHBondContact CD2-CA 3.4Å; H146-C151 WeakPolarHBondContact NE2-CA 3.09Å | ||
| 147 | F | 74.6 | Confident | 69.8 | Low | 110 Ų | 110 | 91.4 Ų | 91.4 | 48% | 0.482 | 53% | 0.532 | S | S | . | . | trans | -85.4 | 157.5 | 175 | -71.5 | -79.7 | 0 | 0 | 0 | 111.5 | L134 T136 K149 D150 C151 | L134-F147 HydrophobicContact CD1-CD2 4.4Å; L134-F147 HydrophobicContact CD1-CE2 3.88Å; L134-F147 HydrophobicContact CD2-CE2 4.44Å; T136-F147 HydrophobicContact CG2-CE1 4.2Å; T136-F147 HydrophobicContact CG2-CZ 4.28Å; F147-K149 PolarHBondContact O-N 2.95Å; F147-D150 PolarHBondContact O-N 2.94Å; F147-C151 PolarHBondContact O-N 2.97Å | ||
| 148 | T | 73.2 | Confident | 68.7 | Low | 50 Ų | 50 | 96.4 Ų | 96.4 | 31% | 0.307 | 55% | 0.549 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -17.4 | 179.4 | 41.7 | 0 | 0 | 0 | 0 | 115.3 | S139 K140 | S139-T148 WeakPolarHBondContact OG-CG2 3.24Å; K140-T148 HydrophobicContact CG-CG2 4.19Å |
| 149 | K | 69.8 | Low | 68.1 | Low | 198 Ų | 198 | 105.5 Ų | 105.5 | 86% | 0.861 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -26.1 | 176.5 | -63.1 | -177.8 | 179.4 | -177.2 | 0 | 112.6 | F147 | F147-K149 PolarHBondContact O-N 2.95Š|
| 150 | D | 70.1 | Confident | 67.1 | Low | 111 Ų | 111 | 104.6 Ų | 104.6 | 59% | 0.594 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -105.9 | 16 | -178.3 | -55.9 | -71.6 | 0 | 0 | 0 | 112.1 | F147 F152 | F147-D150 PolarHBondContact O-N 2.94Å; D150-F152 PolarHBondContact O-N 3.11Å; D150-F152 VanDerWaalsContact O-N 3.16Å |
| 151 | C | 70.8 | Confident | 66.4 | Low | 23 Ų | 23 | 104.8 Ų | 104.8 | 16% | 0.155 | 59% | 0.591 | C | S | . | * | trans | -74.2 | 104.4 | -177.8 | -173.5 | 0 | 0 | 0 | 0 | 110.5 | K140 C141 H146 F147 S153 | K140-C151 HydrophobicContact CD-CB 4.49Å; C141-C151 VanDerWaalsContact SG-SG 3.64Å; H146-C151 VanDerWaalsContact CD2-CA 3.47Å; H146-C151 WeakPolarHBondContact CD2-CA 3.4Å; H146-C151 WeakPolarHBondContact NE2-CA 3.09Å; F147-C151 PolarHBondContact O-N 2.97Å; C151-S153 PolarHBondContact O-N 3.16Å; C151-S153 VanDerWaalsContact O-N 3.11Å | ||
| 152 | F | 68.4 | Low | 65.8 | Low | 178 Ų | 178 | 108.9 Ų | 108.9 | 78% | 0.781 | 62% | 0.615 | S | S | * | * | trans | -71.7 | 2.8 | -175.2 | -122.6 | -94.4 | 0 | 0 | 0 | 115.4 | D150 A154 | D150-F152 PolarHBondContact O-N 3.11Å; D150-F152 VanDerWaalsContact O-N 3.16Å; F152-A154 PolarHBondContact O-N 2.94Å | ||
| 153 | S | 63.3 | Low | 65.4 | Low | 87 Ų | 87 | 110.8 Ų | 110.8 | 61% | 0.608 | 62% | 0.617 | S | S | * | * | trans | -73.6 | 21.6 | 177.4 | -49.2 | 0 | 0 | 0 | 0 | 114.2 | C151 P155 | C151-S153 PolarHBondContact O-N 3.16Å; C151-S153 VanDerWaalsContact O-N 3.11Å; S153-P155 WeakPolarHBondContact O-CD 3.27Å | ||
| 154 | A | 62.3 | Low | 65.3 | Low | 68 Ų | 68 | 116 Ų | 116 | 56% | 0.562 | 63% | 0.634 | S | S | * | * | trans | -70.1 | 123.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109 | F152 G156 | F152-A154 PolarHBondContact O-N 2.94Å; A154-G156 VanDerWaalsContact C-N 3.33Å; A154-G156 PolarHBondContact O-N 3.21Å | ||
| 155 | P | 55.8 | Low | 64.7 | Low | 139 Ų | 139 | 116.3 Ų | 116.3 | 90% | 0.903 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 89 | 172.7 | 31.2 | -32.2 | 0 | 0 | 0 | 108.2 | S153 | S153-P155 WeakPolarHBondContact O-CD 3.27Š|
| 156 | G | 59.7 | Low | 63.6 | Low | 64 Ų | 64 | 121.4 Ų | 121.4 | 66% | 0.66 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174.9 | -9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | A154 | A154-G156 VanDerWaalsContact C-N 3.33Å; A154-G156 PolarHBondContact O-N 3.21Å |
| 157 | L | 55.7 | Low | 62.5 | Low | 120 Ų | 120 | 127.1 Ų | 127.1 | 63% | 0.628 | 69% | 0.689 | S | S | * | * | trans | -117.8 | 71.1 | 175.7 | -66.5 | 175.6 | 0 | 0 | 0 | 110.3 | Y159 | L157-Y159 HydrophobicContact CB-CE2 4.4Å; L157-Y159 PolarHBondContact O-N 3Å | ||
| 158 | Q | 52.5 | Low | 61.2 | Low | 193 Ų | 193 | 126.2 Ų | 126.2 | 90% | 0.902 | 70% | 0.702 | S | S | * | * | trans | -79.6 | 103.1 | 156.8 | -64.8 | -147 | -0.9 | 0 | 0 | 107.6 | A160 | Q158-A160 PolarHBondContact O-N 2.82Š| ||
| 159 | Y | 61.7 | Low | 59.9 | Low | 196 Ų | 196 | 132.6 Ų | 132.6 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | -73.3 | 110.7 | 159.9 | -78.5 | -92.4 | 0 | 0 | 0 | 106.8 | L157 L161 | L157-Y159 HydrophobicContact CB-CE2 4.4Å; L157-Y159 PolarHBondContact O-N 3Å; Y159-L161 PolarHBondContact O-N 2.99Å | ||
| 160 | A | 57 | Low | 58.9 | Low | 91 Ų | 91 | 127.8 Ų | 127.8 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 123.8 | 165 | 0 | 0 | 0 | 0 | 0 | 107.5 | Q158 V162 | Q158-A160 PolarHBondContact O-N 2.82Å; A160-V162 PolarHBondContact O-N 3.47Å |
| 161 | L | 58.1 | Low | 58 | Low | 166 Ų | 166 | 131.5 Ų | 131.5 | 87% | 0.869 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 122.9 | 170.7 | -67.6 | 165.7 | 0 | 0 | 0 | 107.9 | Y159 | Y159-L161 PolarHBondContact O-N 2.99Š|
| 162 | V | 65.2 | Low | 57.2 | Low | 128 Ų | 128 | 139.3 Ų | 139.3 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 126.4 | 168.4 | 177.9 | 0 | 0 | 0 | 0 | 106.5 | A160 E164 | A160-V162 PolarHBondContact O-N 3.47Å; V162-E164 PolarHBondContact O-N 3.31Å |
| 163 | P | 65.3 | Low | 56.5 | Low | 94 Ų | 94 | 139.5 Ų | 139.5 | 61% | 0.61 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 124.9 | 177.9 | -25.9 | 34.8 | 0 | 0 | 0 | 110.9 | E165 | P163-E165 PolarHBondContact O-N 3.36Š|
| 164 | E | 63.7 | Low | 56.1 | Low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -72.3 | 84.5 | 163.5 | -82.8 | 179.7 | 107.7 | 0 | 0 | 107.8 | V162 D166 | V162-E164 PolarHBondContact O-N 3.31Å; E164-D166 VanDerWaalsContact C-N 3.3Å; E164-D166 PolarHBondContact O-N 3.22Å | ||
| 165 | E | 60.4 | Low | 55.7 | Low | 166 Ų | 166 | 148.9 Ų | 148.9 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 77.3 | 164.2 | 47.9 | -172.6 | 88.4 | 0 | 0 | 109.4 | P163 | P163-E165 PolarHBondContact O-N 3.36Š|
| 166 | D | 54 | Low | 55.6 | Low | 140 Ų | 140 | 151 Ų | 151 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169 | 35.5 | 153.9 | -115.7 | -59.8 | 0 | 0 | 0 | 115.3 | E164 | E164-D166 VanDerWaalsContact C-N 3.3Å; E164-D166 PolarHBondContact O-N 3.22Å |
| 167 | D | 50.1 | Low | 55.3 | Low | 162 Ų | 162 | 156.1 Ų | 156.1 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | -98.5 | 44 | 172.3 | -123.7 | -57.9 | 0 | 0 | 0 | 112.2 | ||||
| 168 | A | 48 | Very low | 55.1 | Low | 92 Ų | 92 | 158.3 Ų | 158.3 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | -131 | 16 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 169 | E | 46.3 | Very low | 54.3 | Low | 184 Ų | 184 | 155.9 Ų | 155.9 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -127.9 | 24.6 | -177.7 | -136.1 | 159.6 | 115.9 | 0 | 0 | 116.9 | ||
| 170 | A | 48.7 | Very low | 53.1 | Low | 97 Ų | 97 | 151.5 Ų | 151.5 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -123 | 21.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 171 | Q | 50.2 | Low | 52.1 | Low | 188 Ų | 188 | 153.1 Ų | 153.1 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -123.1 | 12.8 | -177.9 | -68.2 | -169.8 | 4 | 0 | 0 | 117.2 | ||
| 172 | Q | 54 | Low | 51 | Low | 188 Ų | 188 | 152.5 Ų | 152.5 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -100.4 | 2.7 | 178.2 | -74 | -174.7 | 13.3 | 0 | 0 | 116.4 | ||
| 173 | Q | 54.6 | Low | 49.4 | Very low | 182 Ų | 182 | 157.9 Ų | 157.9 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -101.2 | 1.9 | 179.6 | -72.8 | -176.5 | 15.4 | 0 | 0 | 115.8 | ||
| 174 | Q | 54.3 | Low | 48.4 | Very low | 170 Ų | 170 | 159.1 Ų | 159.1 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -104.3 | 0.6 | -178.6 | -69.7 | -174.9 | 17.6 | 0 | 0 | 115.3 | ||
| 175 | Q | 54.4 | Low | 47.8 | Very low | 182 Ų | 182 | 155.6 Ų | 155.6 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -109.6 | 13.9 | -174.9 | -131.1 | 167.1 | 52.3 | 0 | 0 | 116 | ||
| 176 | Q | 53.6 | Low | 46.7 | Very low | 183 Ų | 183 | 156.7 Ų | 156.7 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -103.9 | 8.3 | 170.5 | -70.2 | -179.3 | 20.2 | 0 | 0 | 114.2 | ||
| 177 | Q | 53.8 | Low | 45.7 | Very low | 171 Ų | 171 | 156.8 Ų | 156.8 | 80% | 0.799 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -102.3 | 14 | -179.9 | -72.7 | 177.7 | 48.4 | 0 | 0 | 114.6 | ||
| 178 | Q | 50.9 | Low | 45.5 | Very low | 166 Ų | 166 | 153 Ų | 153 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -132.8 | 66.9 | -177.4 | -61.1 | -174.6 | 33.1 | 0 | 0 | 112.4 | ||||
| 179 | T | 36.9 | Very low | 45.5 | Very low | 142 Ų | 142 | 155.4 Ų | 155.4 | 87% | 0.871 | 81% | 0.811 | S | S | * | * | trans | -151.3 | 142.8 | 144.2 | 50.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 180 | A | 35.5 | Very low | 45.5 | Very low | 105 Ų | 105 | 156.7 Ų | 156.7 | 87% | 0.868 | 81% | 0.814 | S | S | * | * | trans | 97.6 | 111.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 181 | T | 35.7 | Very low | 45.4 | Very low | 125 Ų | 125 | 161.8 Ų | 161.8 | 77% | 0.767 | 82% | 0.818 | S | S | * | * | trans | -94.5 | 147.5 | -168.4 | 39.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 182 | I | 36.5 | Very low | 45.4 | Very low | 153 Ų | 153 | 160.8 Ų | 160.8 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | 65.5 | 109.2 | 138.3 | -54.7 | 160.8 | 0 | 0 | 0 | 121.1 | ||||
| 183 | R | 31.2 | Very low | 45 | Very low | 240 Ų | 240 | 161 Ų | 161 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | 175.5 | 146.1 | 125.9 | -94.3 | 173.4 | -165.8 | -112.2 | 2.4 | 111.4 | |||||
| 184 | P | 42.8 | Very low | 44.7 | Very low | 120 Ų | 120 | 161.4 Ų | 161.4 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -111.1 | -173.7 | 177.4 | 41.2 | -31.1 | 0 | 0 | 0 | 112.8 | ||||
| 185 | P | 52.5 | Low | 44.5 | Very low | 112 Ų | 112 | 161.8 Ų | 161.8 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | cis | -110.3 | -175.3 | -47.5 | 33.5 | -17.3 | 0 | 0 | 0 | 109.8 | ||||
| 186 | Q | 36.1 | Very low | 44.3 | Very low | 189 Ų | 189 | 160.2 Ų | 160.2 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | 174.8 | 125.5 | 138.1 | -70 | -127.8 | -36.7 | 0 | 0 | 112.8 | ||||
| 187 | D | 34.3 | Very low | 44.2 | Very low | 142 Ų | 142 | 160.4 Ų | 160.4 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | trans | 51.8 | 136.4 | 141.5 | -138 | -112.2 | 0 | 0 | 0 | 125.4 | ||||
| 188 | S | 45.5 | Very low | 44.1 | Very low | 83 Ų | 83 | 160.8 Ų | 160.8 | 58% | 0.58 | 80% | 0.796 | S | S | * | * | trans | 34.1 | 112.9 | 152.7 | 61.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 189 | D | 48.7 | Very low | 44.2 | Very low | 142 Ų | 142 | 160.4 Ų | 160.4 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | trans | 169.2 | 71.2 | 130 | -103.4 | -58 | 0 | 0 | 0 | 113.3 | ||||
| 190 | K | 45.4 | Very low | 45 | Very low | 211 Ų | 211 | 162.3 Ų | 162.3 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -130.4 | 23.1 | 172.7 | -134 | 171.8 | -173.2 | 171.8 | 0 | 114.9 | ||
| 191 | K | 46.1 | Very low | 45.7 | Very low | 204 Ų | 204 | 165.2 Ų | 165.2 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -108.4 | -2.2 | 176.1 | -158.9 | 168.2 | 179.6 | 179 | 0 | 114.6 | ||
| 192 | K | 49.8 | Very low | 46.4 | Very low | 167 Ų | 167 | 166.8 Ų | 166.8 | 73% | 0.726 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -100.8 | -27.1 | -175.7 | -142.1 | 169.9 | -178.4 | 178.6 | 0 | 115.4 | ||
| 193 | K | 46.3 | Very low | 47.1 | Very low | 191 Ų | 191 | 167.2 Ų | 167.2 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | H | α-helix | trans | -82.4 | -15.1 | -173.9 | -125.7 | 172.7 | -176.9 | 173.3 | 0 | 116 | ||
| 194 | K | 48.8 | Very low | 47.8 | Very low | 192 Ų | 192 | 164.2 Ų | 164.2 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | H | α-helix | trans | -84.1 | -15.5 | 179.3 | -161 | 170.7 | 179.6 | 177.1 | 0 | 113.3 | ||
| 195 | K | 49.3 | Very low | 47.9 | Very low | 178 Ų | 178 | 168.3 Ų | 168.3 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | H | α-helix | trans | -86.7 | -29.5 | -177.2 | -153.9 | 174.4 | -178.9 | -177.1 | 0 | 113 | ||
| 196 | E | 50 | Low | 47.5 | Very low | 149 Ų | 149 | 169.8 Ų | 169.8 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | H | α-helix | trans | -72.6 | -34.8 | -179.9 | -99.2 | -177.5 | 90.3 | 0 | 0 | 114.3 | K198 M199 | E196-K198 VanDerWaalsContact C-N 3.29Å; E196-K198 PolarHBondContact O-N 3.01Å; E196-M199 PolarHBondContact O-N 3.09Å |
| 197 | K | 52.4 | Low | 47.9 | Very low | 187 Ų | 187 | 170.6 Ų | 170.6 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | H | α-helix | trans | -71.6 | -22.5 | -177.8 | -122.8 | 176.9 | -177.6 | 178.5 | 0 | 113.4 | ||
| 198 | K | 50.9 | Low | 48.2 | Very low | 178 Ų | 178 | 173.1 Ų | 173.1 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | H | α-helix | trans | -81.4 | -25.8 | -179.5 | -156.2 | 174.3 | -178.7 | -177.9 | 0 | 112.6 | E196 | E196-K198 VanDerWaalsContact C-N 3.29Å; E196-K198 PolarHBondContact O-N 3.01Å |
| 199 | M | 53.6 | Low | 48.1 | Very low | 159 Ų | 159 | 177.9 Ų | 177.9 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | H | α-helix | trans | -81 | -32.6 | -178.4 | -126.3 | 172.9 | 165.6 | 0 | 0 | 113.1 | E196 K201 K202 | E196-M199 PolarHBondContact O-N 3.09Å; M199-K201 VanDerWaalsContact C-N 3.34Å; M199-K201 PolarHBondContact O-N 2.74Å; M199-K202 PolarHBondContact O-N 3.1Å |
| 200 | K | 53.6 | Low | 47.8 | Very low | 181 Ų | 181 | 175 Ų | 175 | 79% | 0.787 | 77% | 0.772 | S | S | * | * | H | α-helix | trans | -69.5 | -23.6 | 177.3 | -93.2 | -179.1 | 173.7 | 175.4 | 0 | 114.6 | ||
| 201 | K | 49.8 | Very low | 47.3 | Very low | 167 Ų | 167 | 172.6 Ų | 172.6 | 73% | 0.726 | 77% | 0.769 | S | S | * | * | H | α-helix | trans | -81.1 | -24 | 179.5 | -163.6 | 169.9 | 179.6 | 176.5 | 0 | 113.3 | M199 | M199-K201 VanDerWaalsContact C-N 3.34Å; M199-K201 PolarHBondContact O-N 2.74Å |
| 202 | K | 51.5 | Low | 46.8 | Very low | 158 Ų | 158 | 168.7 Ų | 168.7 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | H | α-helix | trans | -77 | -37.5 | 177.4 | -148.2 | 179.6 | 179.8 | -169.1 | 0 | 111.8 | M199 K204 R205 | M199-K202 PolarHBondContact O-N 3.1Å; K202-K204 VanDerWaalsContact C-N 3.3Å; K202-K204 PolarHBondContact O-N 3.28Å; K202-R205 PolarHBondContact O-N 3.44Å |
| 203 | K | 49.8 | Very low | 45.9 | Very low | 162 Ų | 162 | 167.6 Ų | 167.6 | 70% | 0.704 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -8.7 | -177.8 | -146.8 | 173.6 | -175.5 | 177 | 0 | 115.6 | ||
| 204 | K | 45.7 | Very low | 45.2 | Very low | 177 Ų | 177 | 163.5 Ų | 163.5 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -12.6 | 177.6 | -160.1 | 175.9 | 179.9 | -179.7 | 0 | 113.5 | K202 | K202-K204 VanDerWaalsContact C-N 3.3Å; K202-K204 PolarHBondContact O-N 3.28Å |
| 205 | R | 44.8 | Very low | 44.5 | Very low | 206 Ų | 206 | 159.1 Ų | 159.1 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -30.3 | 176.2 | -85.9 | -175.1 | 169.1 | -173.4 | -5.5 | 112.9 | K202 R207 | K202-R205 PolarHBondContact O-N 3.44Å; R205-R207 PolarHBondContact O-N 2.86Å |
| 206 | E | 45.8 | Very low | 44.1 | Very low | 142 Ų | 142 | 155.1 Ų | 155.1 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 14 | -178.2 | -62 | -179.1 | 145 | 0 | 0 | 114.3 | ||
| 207 | R | 43.1 | Very low | 43.4 | Very low | 207 Ų | 207 | 156.8 Ų | 156.8 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.9 | 15.4 | 176.2 | -78.4 | -170.4 | 176 | -167.7 | -3 | 113.8 | R205 | R205-R207 PolarHBondContact O-N 2.86Š|
| 208 | K | 42.3 | Very low | 42.3 | Very low | 195 Ų | 195 | 153.4 Ų | 153.4 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -119 | 13.1 | 176.3 | -99.3 | -164.6 | 173.4 | -163.8 | 0 | 113.8 | ||
| 209 | E | 41.4 | Very low | 41.4 | Very low | 182 Ų | 182 | 153.8 Ų | 153.8 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -114.2 | 34.4 | 176.2 | -70.9 | -176 | 136.9 | 0 | 0 | 112.2 | ||
| 210 | S | 43.3 | Very low | 40.6 | Very low | 83 Ų | 83 | 152 Ų | 152 | 58% | 0.58 | 76% | 0.759 | S | S | * | * | trans | -144.4 | 141 | 167 | 3.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 211 | D | 35.8 | Very low | 39.8 | Very low | 159 Ų | 159 | 153.4 Ų | 153.4 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | trans | 85.5 | 110.2 | -169.6 | -41.6 | -44.5 | 0 | 0 | 0 | 111.4 | ||||
| 212 | S | 34.7 | Very low | 39.2 | Very low | 122 Ų | 122 | 155.4 Ų | 155.4 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | cis | -166.5 | 151.1 | 33 | -39.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 213 | D | 31 | Very low | 38.4 | Very low | 145 Ų | 145 | 159.6 Ų | 159.6 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | -83 | 162.4 | 175.5 | -163.6 | -90.2 | 0 | 0 | 0 | 112.6 | ||||
| 214 | S | 32.5 | Very low | 37.7 | Very low | 104 Ų | 104 | 161.4 Ų | 161.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 82.7 | 124.8 | 149.5 | -93.8 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 215 | S | 33.5 | Very low | 37.3 | Very low | 101 Ų | 101 | 162 Ų | 162 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | 101.4 | 123.7 | 127.7 | -160.5 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 216 | S | 40.5 | Very low | 36.8 | Very low | 94 Ų | 94 | 156.6 Ų | 156.6 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | trans | 68.9 | 118.9 | 135.9 | 60.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 217 | E | 35.6 | Very low | 36.3 | Very low | 184 Ų | 184 | 157.4 Ų | 157.4 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | 62.7 | 136.1 | 134.4 | -57.3 | -157.4 | 102.9 | 0 | 0 | 121.9 | ||||
| 218 | C | 29.7 | Very low | 35.9 | Very low | 116 Ų | 116 | 153.3 Ų | 153.3 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | 120.3 | 119.2 | 130.7 | 91.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 219 | K | 30.6 | Very low | 36 | Very low | 186 Ų | 186 | 152 Ų | 152 | 81% | 0.809 | 79% | 0.794 | S | S | * | * | trans | 64.5 | 106.5 | 134.3 | -86.2 | 167 | 175.4 | 165 | 0 | 120.4 | ||||
| 220 | T | 37.5 | Very low | 36 | Very low | 122 Ų | 122 | 150.6 Ų | 150.6 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | 40.8 | 120.8 | 121.7 | 53.2 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 221 | K | 36.6 | Very low | 35.9 | Very low | 210 Ų | 210 | 158.2 Ų | 158.2 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | -158.2 | 117.3 | 125.5 | -107.3 | 158.4 | -170.1 | 178.6 | 0 | 112.1 | |||||
| 222 | R | 36.8 | Very low | 36.4 | Very low | 209 Ų | 209 | 159.7 Ų | 159.7 | 79% | 0.789 | 81% | 0.81 | S | S | * | * | trans | -41.3 | 139.1 | 161.6 | -64.9 | 165.8 | 163.3 | 179.8 | -3.9 | 111.7 | ||||
| 223 | R | 35.5 | Very low | 37.1 | Very low | 245 Ų | 245 | 162.6 Ų | 162.6 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -141.3 | 104.5 | 133 | -86.5 | -164.5 | 163.4 | 175.7 | -5.8 | 110 | ||||
| 224 | R | 35 | Very low | 37.8 | Very low | 201 Ų | 201 | 165.1 Ų | 165.1 | 76% | 0.758 | 82% | 0.815 | S | S | * | * | trans | -63.9 | 139.8 | 160.4 | -67.4 | 174.4 | 169.7 | 176.1 | -5.7 | 108.3 | ||||
| 225 | H | 36.7 | Very low | 38.3 | Very low | 190 Ų | 190 | 170.3 Ų | 170.3 | 88% | 0.88 | 82% | 0.824 | S | S | * | * | trans | -135 | 105.1 | 141.2 | -99.3 | 62 | 0 | 0 | 0 | 108.1 | ||||
| 226 | S | 34.6 | Very low | 39 | Very low | 92 Ų | 92 | 175.7 Ų | 175.7 | 64% | 0.643 | 84% | 0.835 | S | S | * | * | trans | -76.6 | 130.8 | 162 | 44.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 227 | N | 35.3 | Very low | 39.4 | Very low | 159 Ų | 159 | 181 Ų | 181 | 85% | 0.85 | 85% | 0.846 | S | S | * | * | 172.5 | 113 | 129 | -92.9 | -1.6 | 0 | 0 | 0 | 110.4 | |||||
| 228 | S | 34.5 | Very low | 40 | Very low | 121 Ų | 121 | 181.6 Ų | 181.6 | 85% | 0.846 | 85% | 0.846 | S | S | * | * | trans | -152.6 | 88.7 | 152.4 | -175.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 229 | L | 44.5 | Very low | 40.7 | Very low | 167 Ų | 167 | 185.7 Ų | 185.7 | 87% | 0.874 | 85% | 0.853 | S | S | * | * | trans | -101.6 | 150.4 | 153.6 | -72 | 175.1 | 0 | 0 | 0 | 106.7 | ||||
| 230 | D | 42.5 | Very low | 41.6 | Very low | 152 Ų | 152 | 186.7 Ų | 186.7 | 81% | 0.813 | 86% | 0.857 | S | S | * | * | trans | 87.8 | 80.7 | 165.5 | -134.2 | -88.1 | 0 | 0 | 0 | 117.4 | ||||
| 231 | R | 40.9 | Very low | 42 | Very low | 243 Ų | 243 | 190.5 Ų | 190.5 | 92% | 0.917 | 86% | 0.864 | S | S | * | * | trans | -167.5 | 52.6 | 142.8 | -109.9 | 169 | -179.4 | -167.9 | 1.6 | 112.7 | ||||
| 232 | Q | 45.3 | Very low | 42.7 | Very low | 190 Ų | 190 | 190 Ų | 190 | 89% | 0.888 | 86% | 0.864 | S | S | * | * | trans | -114.3 | 76.1 | 161.6 | -87.2 | -172.3 | -7.7 | 0 | 0 | 109.4 | ||||
| 233 | E | 49.2 | Very low | 43.3 | Very low | 184 Ų | 184 | 190 Ų | 190 | 86% | 0.86 | 87% | 0.87 | S | S | * | * | trans | -167.9 | 146.8 | 148.7 | -117.8 | -178.4 | 99.3 | 0 | 0 | 109.1 | ||||
| 234 | K | 46.3 | Very low | 43.8 | Very low | 198 Ų | 198 | 183 Ų | 183 | 86% | 0.861 | 86% | 0.859 | S | S | * | * | S | Bend | trans | 87.4 | 69.7 | -174 | -53.2 | 169.8 | 176.7 | 174.7 | 0 | 115.9 | ||
| 235 | K | 43.2 | Very low | 44.4 | Very low | 213 Ų | 213 | 182.8 Ų | 182.8 | 93% | 0.926 | 87% | 0.866 | S | S | * | * | trans | -159.8 | 19.6 | 137.1 | -107.4 | 166.4 | -169.5 | -174 | 0 | 116 | ||||
| 236 | K | 48 | Very low | 45.4 | Very low | 213 Ų | 213 | 182 Ų | 182 | 93% | 0.926 | 86% | 0.86 | S | S | * | * | trans | -101.5 | 76.8 | 164.8 | -76.7 | -176 | 176.7 | 177.9 | 0 | 110.5 | ||||
| 237 | K | 48.5 | Very low | 45.7 | Very low | 207 Ų | 207 | 185.3 Ų | 185.3 | 90% | 0.9 | 87% | 0.865 | S | S | * | * | trans | -158.8 | 29.7 | 168 | -117.8 | 177.5 | -171 | -179.6 | 0 | 114.9 | ||||
| 238 | K | 47.9 | Very low | 46.3 | Very low | 195 Ų | 195 | 186.9 Ų | 186.9 | 85% | 0.848 | 89% | 0.889 | S | S | * | * | S | Bend | trans | -141.2 | 79.9 | 170.2 | -77 | -170.9 | 176.9 | -175.7 | 0 | 109.5 | ||
| 239 | H | 44.5 | Very low | 46.9 | Very low | 202 Ų | 202 | 190.2 Ų | 190.2 | 94% | 0.935 | 89% | 0.891 | S | S | * | * | trans | 178.2 | 68.5 | 153.2 | -91.4 | -62 | 0 | 0 | 0 | 108.5 | ||||
| 240 | K | 49.8 | Very low | 47 | Very low | 208 Ų | 208 | 191.4 Ų | 191.4 | 90% | 0.904 | 89% | 0.892 | S | S | * | * | trans | -157.8 | 68.5 | 161.4 | -159.3 | 174.1 | -177.7 | 179.4 | 0 | 110.7 | ||||
| 241 | K | 47.3 | Very low | 47.3 | Very low | 202 Ų | 202 | 193.6 Ų | 193.6 | 88% | 0.878 | 90% | 0.896 | S | S | * | * | trans | -164.6 | 92.2 | 156.3 | -142.7 | 173 | -177.7 | 180 | 0 | 109.3 | ||||
| 242 | Q | 50.3 | Low | 47.7 | Very low | 198 Ų | 198 | 190.7 Ų | 190.7 | 93% | 0.925 | 90% | 0.895 | S | S | * | * | trans | 178.7 | 79.4 | 148.9 | -100 | 175.9 | 12.9 | 0 | 0 | 108.1 | ||||
| 243 | K | 49.5 | Very low | 47.8 | Very low | 209 Ų | 209 | 190.8 Ų | 190.8 | 91% | 0.909 | 90% | 0.895 | S | S | * | * | trans | -163.6 | 86.8 | 158.1 | -130 | -179 | -175.5 | -179.5 | 0 | 109.1 | ||||
| 244 | S | 46.3 | Very low | 47.7 | Very low | 100 Ų | 100 | 191.2 Ų | 191.2 | 70% | 0.699 | 90% | 0.898 | S | S | * | * | trans | 176.4 | 106.3 | 153.6 | 52.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 245 | H | 47.8 | Very low | 47.8 | Very low | 196 Ų | 196 | 190.7 Ų | 190.7 | 91% | 0.907 | 90% | 0.9 | S | S | * | * | -168.1 | 127 | 115.2 | -96.9 | -74.2 | 0 | 0 | 0 | 108.7 | |||||
| 246 | K | 57.7 | Low | 48.2 | Very low | 172 Ų | 172 | 189 Ų | 189 | 75% | 0.748 | 90% | 0.898 | S | S | * | * | trans | -121.6 | 138.6 | -178.5 | 168.1 | 170.3 | -176.4 | -177.4 | 0 | 105.1 | ||||
| 247 | H | 40.2 | Very low | 48.2 | Very low | 162 Ų | 162 | 187 Ų | 187 | 75% | 0.75 | 90% | 0.896 | S | S | * | * | trans | 59.4 | 124.6 | 169 | -65.6 | -59.1 | 0 | 0 | 0 | 118.9 | ||||
| 248 | S | 48.6 | Very low | 48.2 | Very low | 193 Ų | 193 | 185.2 Ų | 185.2 | 100% | 1.35 | 90% | 0.896 | S | S | * | * | -152.6 | 0 | 87 | -117 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 248 of 248 residues in 72 ms
(Link to these results)