| 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 | Q | 46.1 | Very low | 78.3 | Confident | 232 Ų | 232 | 111.6 Ų | 111.6 | 100% | 1.084 | 57% | 0.569 | S | S | * | * | 0 | 128.3 | 0 | -167.6 | 173.3 | 6.4 | 0 | 0 | 108.3 | |||||
| 2 | A | 66.1 | Low | 79.7 | Confident | 62 Ų | 62 | 107.3 Ų | 107.3 | 51% | 0.512 | 55% | 0.551 | S | S | . | * | trans | -72.9 | 138.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3 | G | 69.9 | Low | 80.7 | Confident | 41 Ų | 41 | 103.5 Ų | 103.5 | 42% | 0.423 | 54% | 0.539 | S | S | . | . | B | Isolated β-bridge | trans | 172.3 | 176.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L279 I280 | G3-L279 WeakPolarHBondContact O-CA 3.43Å; G3-L279 WeakPolarHBondContact O-CB 3.43Å; G3-I280 PolarHBondContact O-N 2.86Å |
| 4 | R | 76 | Confident | 81.5 | Confident | 194 Ų | 194 | 96.5 Ų | 96.5 | 73% | 0.732 | 50% | 0.504 | S | S | * | . | trans | -109.2 | 128.3 | 173.8 | 178.3 | 171.5 | 177.1 | -178.1 | -0 | 107.7 | G278 | R4-G278 WeakPolarHBondContact CB-O 3.44Å; R4-G278 VanDerWaalsContact CG-O 3.31Å; R4-G278 WeakPolarHBondContact CG-O 3.49Å | ||
| 5 | L | 78.7 | Confident | 82.5 | Confident | 124 Ų | 124 | 91.9 Ų | 91.9 | 65% | 0.649 | 48% | 0.479 | S | S | * | . | trans | -71.7 | 151 | 169.6 | -71 | 173.2 | 0 | 0 | 0 | 110.1 | Y9 | L5-Y9 HydrophobicContact CD1-CD1 4.25Å; L5-Y9 HydrophobicContact CD2-CD2 4.36Å; L5-Y9 HydrophobicContact CD2-CG 4.48Å | ||
| 6 | D | 81.6 | Confident | 83.3 | Confident | 103 Ų | 103 | 95 Ų | 95 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | trans | -55.5 | 142.3 | 172.3 | -169.7 | -79.4 | 0 | 0 | 0 | 110.4 | H8 Y9 | D6-H8 PolarHBondContact O-N 3.07Å; D6-H8 WeakPolarHBondContact OD1-CA 3.47Å; D6-H8 VanDerWaalsContact OD1-CB 3.28Å; D6-H8 WeakPolarHBondContact OD1-CB 3.37Å; D6-H8 IonicContact OD1-CG 2.95Å; D6-H8 PolarHBondContact OD1-N 3.39Å; D6-H8 IonicContact OD1-ND1 3.39Å; D6-H8 PolarHBondContact OD1-ND1 3.47Å; D6-H8 VanDerWaalsContact OD1-ND1 3.11Å; D6-Y9 WeakPolarHBondContact O-CB 3.5Å; D6-Y9 PolarHBondContact O-N 2.74Å | ||
| 7 | S | 81.2 | Confident | 84 | Confident | 73 Ų | 73 | 90.9 Ų | 90.9 | 51% | 0.51 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -26.9 | -179.1 | 49.7 | 0 | 0 | 0 | 0 | 113.7 | K11 | S7-K11 PolarHBondContact O-NZ 2.96Š|
| 8 | H | 85.6 | Confident | 84.8 | Confident | 160 Ų | 160 | 91.9 Ų | 91.9 | 74% | 0.741 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 2 | 177.3 | -51.9 | 89.3 | 0 | 0 | 0 | 112.8 | D6 | D6-H8 PolarHBondContact O-N 3.07Å; D6-H8 WeakPolarHBondContact OD1-CA 3.47Å; D6-H8 VanDerWaalsContact OD1-CB 3.28Å; D6-H8 WeakPolarHBondContact OD1-CB 3.37Å; D6-H8 IonicContact OD1-CG 2.95Å; D6-H8 PolarHBondContact OD1-N 3.39Å; D6-H8 IonicContact OD1-ND1 3.39Å; D6-H8 PolarHBondContact OD1-ND1 3.47Å; D6-H8 VanDerWaalsContact OD1-ND1 3.11Å |
| 9 | Y | 89.1 | Confident | 85.5 | Confident | 98 Ų | 98 | 91 Ų | 91 | 38% | 0.384 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -55.6 | 133.2 | 173.9 | -165 | -91.4 | 0 | 0 | 0 | 109.2 | L5 D6 K11 | L5-Y9 HydrophobicContact CD1-CD1 4.25Å; L5-Y9 HydrophobicContact CD2-CD2 4.36Å; L5-Y9 HydrophobicContact CD2-CG 4.48Å; D6-Y9 WeakPolarHBondContact O-CB 3.5Å; D6-Y9 PolarHBondContact O-N 2.74Å; Y9-K11 WeakPolarHBondContact O-CG 3.27Å |
| 10 | P | 93.4 | Very high | 86.2 | Confident | 25 Ų | 25 | 89.9 Ų | 89.9 | 16% | 0.162 | 48% | 0.475 | C | S | . | . | trans | -56.4 | 146.7 | -177.1 | -30 | 37.9 | 0 | 0 | 0 | 114.1 | L51 N54 | P10-L51 HydrophobicContact CB-CB 3.67Å; P10-L51 WeakPolarHBondContact CG-O 3.41Å; P10-N54 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 11 | K | 93.5 | Very high | 86.8 | Confident | 116 Ų | 116 | 87.4 Ų | 87.4 | 50% | 0.504 | 46% | 0.463 | S | S | . | . | trans | -129.3 | 159.2 | -173.7 | -64.7 | 170.3 | -164.8 | 167.7 | 0 | 112.2 | S7 Y9 C13 N54 M55 | S7-K11 PolarHBondContact O-NZ 2.96Å; Y9-K11 WeakPolarHBondContact O-CG 3.27Å; K11-C13 WeakPolarHBondContact CB-SG 3.35Å; K11-N54 PolarHBondContact N-OD1 3.26Å; K11-N54 CarbonylContact O-C 3.49Å; K11-N54 VanDerWaalsContact O-CA 3.26Å; K11-N54 WeakPolarHBondContact O-CA 3.36Å; K11-M55 PolarHBondContact O-N 2.96Å | ||
| 12 | V | 95.8 | Very high | 89.3 | Confident | 60 Ų | 60 | 81.2 Ų | 81.2 | 36% | 0.364 | 44% | 0.436 | S | S | . | . | B | Isolated β-bridge | trans | -83.5 | 119.8 | 164.3 | -175.5 | 0 | 0 | 0 | 0 | 108 | W44 I46 L51 M55 | V12-W44 HydrophobicContact CG1-CD2 3.4Å; V12-W44 VanDerWaalsContact CG1-CD2 3.4Å; V12-W44 HydrophobicContact CG1-CE3 3.5Å; V12-W44 VanDerWaalsContact CG1-CE3 3.5Å; V12-W44 HydrophobicContact CG1-CG 4.01Å; V12-W44 HydrophobicContact CG1-CH2 3.81Å; V12-W44 HydrophobicContact CG1-CZ2 3.71Å; V12-W44 HydrophobicContact CG1-CZ3 3.7Å; V12-I46 HydrophobicContact CG2-CD1 4.16Å; V12-L51 HydrophobicContact CG2-CD1 3.88Å; V12-M55 CarbonylContact C-O 3.58Å; V12-M55 WeakPolarHBondContact CA-O 3.39Å; V12-M55 HydrophobicContact CG2-SD 4.32Å |
| 13 | C | 91.9 | Very high | 90.8 | Very high | 58 Ų | 58 | 81.2 Ų | 81.2 | 39% | 0.392 | 42% | 0.424 | S | S | . | . | trans | -137.5 | 23.2 | -162.1 | -65.2 | 0 | 0 | 0 | 0 | 114.6 | K11 M55 T56 | K11-C13 WeakPolarHBondContact CB-SG 3.35Å; C13-M55 PolarHBondContact N-O 3.05Å; C13-T56 HydrophobicContact CB-CG2 4.22Å | ||
| 14 | G | 91.5 | Very high | 92.1 | Very high | 5 Ų | 5 | 85.9 Ų | 85.9 | 5% | 0.052 | 43% | 0.429 | C | S | . | . | trans | -86.4 | -20.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q16 R42 T56 | G14-Q16 PolarHBondContact O-NE2 3.24Å; G14-Q16 VanDerWaalsContact O-NE2 3.08Å; G14-R42 PolarHBondContact O-NH1 3.33Å; G14-T56 VanDerWaalsContact CA-O 3.23Å; G14-T56 WeakPolarHBondContact CA-O 3.28Å | ||
| 15 | H | 96.6 | Very high | 93.1 | Very high | 27 Ų | 27 | 77 Ų | 77 | 13% | 0.125 | 40% | 0.396 | C | S | . | . | trans | -66.8 | 147.7 | 178.5 | -81.2 | -66.7 | 0 | 0 | 0 | 112.8 | V19 S34 S36 D38 S40 | H15-V19 HydrophobicContact CB-CG2 4.36Å; H15-S34 PolarHBondContact CD2-OG 2.85Å; H15-S34 PolarHBondContact NE2-OG 2.83Å; H15-S36 VanDerWaalsContact CE1-CB 3.49Å; H15-S36 WeakPolarHBondContact CE1-CB 3.28Å; H15-S36 WeakPolarHBondContact ND1-CB 3.48Å; H15-D38 VanDerWaalsContact CA-OD2 3.29Å; H15-D38 WeakPolarHBondContact CA-OD2 3.49Å; H15-D38 WeakPolarHBondContact CB-OD2 3.35Å; H15-D38 IonicContact CE1-OD1 3.95Å; H15-D38 IonicContact CG-OD2 3.94Å; H15-D38 IonicContact ND1-OD1 3.11Å; H15-D38 PolarHBondContact ND1-OD1 3.17Å; H15-D38 IonicContact ND1-OD2 2.7Å; H15-D38 PolarHBondContact ND1-OD2 2.88Å; H15-S40 PolarHBondContact CE1-OG 3.36Å; H15-S40 VanDerWaalsContact CE1-OG 3.22Å; H15-S40 PolarHBondContact ND1-OG 3.1Å | ||
| 16 | Q | 95.3 | Very high | 93.9 | Very high | 142 Ų | 142 | 73.7 Ų | 73.7 | 66% | 0.664 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -100.1 | 6.4 | 179.1 | -56.5 | -56.3 | -56.5 | 0 | 0 | 113.1 | G14 D38 | G14-Q16 PolarHBondContact O-NE2 3.24Å; G14-Q16 VanDerWaalsContact O-NE2 3.08Å; Q16-D38 HydrophobicContact CB-CB 4Å; Q16-D38 PolarHBondContact N-OD2 3.48Å |
| 17 | G | 96.4 | Very high | 94.5 | Very high | 26 Ų | 26 | 69.5 Ų | 69.5 | 27% | 0.268 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -148.4 | 174.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V19 S36 | G17-V19 PolarHBondContact O-N 2.7Å; G17-S36 PolarHBondContact O-OG 2.77Å |
| 18 | N | 98.1 | Very high | 95 | Very high | 108 Ų | 108 | 66.9 Ų | 66.9 | 58% | 0.578 | 34% | 0.339 | S | S | * | . | trans | -59.1 | 135.2 | 179.1 | -66.1 | -49.6 | 0 | 0 | 0 | 110.8 | S36 E37 | N18-S36 VanDerWaalsContact O-CA 3.26Å; N18-S36 WeakPolarHBondContact O-CA 3.47Å; N18-S36 PolarHBondContact O-OG 3.38Å; N18-S36 VanDerWaalsContact O-OG 3.08Å; N18-E37 HydrophobicContact CB-CG 4.18Å; N18-E37 WeakPolarHBondContact CB-OE2 3.47Å; N18-E37 PolarHBondContact ND2-OE2 3.27Å; N18-E37 PolarHBondContact O-N 3.49Å | ||
| 19 | V | 98.5 | Very high | 95.3 | Very high | 75 Ų | 75 | 63.7 Ų | 63.7 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 128.4 | 169.5 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | H15 G17 I22 C35 | H15-V19 HydrophobicContact CB-CG2 4.36Å; G17-V19 PolarHBondContact O-N 2.7Å; V19-I22 HydrophobicContact CG1-CG2 3.54Å; V19-C35 CarbonylContact C-O 3.6Å; V19-C35 WeakPolarHBondContact CA-O 3.22Å |
| 20 | L | 98.4 | Very high | 95.5 | Very high | 68 Ų | 68 | 61.3 Ų | 61.3 | 36% | 0.356 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | -28.7 | -173.8 | -63.4 | -177.9 | 0 | 0 | 0 | 113.1 | C35 E37 R68 V69 | L20-C35 PolarHBondContact N-O 2.79Å; L20-E37 HydrophobicContact CD1-CG 3.82Å; L20-E37 HydrophobicContact CD2-CG 4.03Å; L20-E37 HydrophobicContact CG-CG 4.04Å; L20-R68 HydrophobicContact CD1-CB 4.1Å; L20-R68 HydrophobicContact CD1-CG 4.31Å; L20-V69 WeakPolarHBondContact CD1-O 3.29Å |
| 21 | D | 98.5 | Very high | 95.6 | Very high | 39 Ų | 39 | 60.1 Ų | 60.1 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 152.9 | 174.7 | -158 | 7.5 | 0 | 0 | 0 | 110.6 | S34 C35 I72 | D21-S34 WeakPolarHBondContact O-CA 3.24Å; D21-C35 WeakPolarHBondContact CB-SG 3.45Å; D21-C35 PolarHBondContact N-SG 3.44Å; D21-C35 PolarHBondContact O-N 3.13Å; D21-C35 VanDerWaalsContact O-N 3.1Å; D21-I72 PolarHBondContact OD2-N 3.3Å; D21-I72 VanDerWaalsContact OD2-N 3.1Å |
| 22 | I | 98.5 | Very high | 95.9 | Very high | 102 Ų | 102 | 55.6 Ų | 55.6 | 52% | 0.523 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 137.6 | 174.9 | 57.5 | 174.7 | 0 | 0 | 0 | 110.4 | V19 I32 A33 | V19-I22 HydrophobicContact CG1-CG2 3.54Å; I22-I32 HydrophobicContact CB-CD1 4.23Å; I22-A33 CarbonylContact C-O 3.57Å; I22-A33 VanDerWaalsContact CA-O 3.25Å; I22-A33 WeakPolarHBondContact CA-O 3.47Å |
| 23 | K | 98.3 | Very high | 96 | Very high | 61 Ų | 61 | 52.8 Ų | 52.8 | 27% | 0.265 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 130.9 | 176.7 | -66.1 | -157.2 | 178 | -155.5 | 0 | 112.6 | I32 A33 I72 E73 W74 | K23-I32 WeakPolarHBondContact O-CG1 3.38Å; K23-A33 PolarHBondContact N-O 3.39Å; K23-A33 PolarHBondContact O-N 2.89Å; K23-I72 VanDerWaalsContact CD-O 3.22Å; K23-I72 WeakPolarHBondContact CD-O 3.41Å; K23-I72 WeakPolarHBondContact CE-O 3.3Å; K23-E73 IonicContact NZ-OE1 2.94Å; K23-E73 PolarHBondContact NZ-OE1 2.98Å; K23-E73 IonicContact NZ-OE2 2.86Å; K23-E73 PolarHBondContact NZ-OE2 3.15Å; K23-W74 PolarHBondContact O-NE1 3.32Å |
| 24 | W | 97.7 | Very high | 96.3 | Very high | 140 Ų | 140 | 50.3 Ų | 50.3 | 53% | 0.53 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 142.8 | 169 | -69.1 | 101.3 | 0 | 0 | 0 | 110.4 | E29 I32 I46 W74 | W24-E29 WeakPolarHBondContact CZ3-O 3.49Å; W24-I32 HydrophobicContact CD2-CB 4.09Å; W24-I32 HydrophobicContact CD2-CD1 4.13Å; W24-I32 HydrophobicContact CD2-CG1 4.23Å; W24-I32 HydrophobicContact CE3-CB 3.8Å; W24-I32 HydrophobicContact CE3-CG1 4.45Å; W24-I32 HydrophobicContact CH2-CB 4.43Å; W24-I32 HydrophobicContact CZ2-CD1 4.11Å; W24-I32 HydrophobicContact CZ3-CB 3.98Å; W24-I32 HydrophobicContact CZ3-CG2 4.4Å; W24-I46 HydrophobicContact CH2-CG1 3.85Å; W24-I46 HydrophobicContact CZ3-CG1 4.04Å; W24-W74 PolarHBondContact O-NE1 3.03Å |
| 25 | N | 96.6 | Very high | 96.7 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.032 | 26% | 0.255 | C | S | . | . | trans | -68.3 | 134.7 | 172.4 | -176.3 | -68 | 0 | 0 | 0 | 109.4 | F27 F28 V31 W74 | N25-F27 PolarHBondContact O-N 3.33Å; N25-F27 WeakPolarHBondContact OD1-CA 3.43Å; N25-F27 WeakPolarHBondContact OD1-CB 3.27Å; N25-F27 PolarHBondContact OD1-N 3.01Å; N25-F28 HydrophobicContact CB-CB 4.33Å; N25-F28 WeakPolarHBondContact OD1-CD2 3.38Å; N25-F28 PolarHBondContact OD1-N 3.44Å; N25-V31 HydrophobicContact CB-CB 3.89Å; N25-V31 HydrophobicContact CB-CG1 4.04Å; N25-V31 WeakPolarHBondContact CB-O 3.37Å; N25-V31 PolarHBondContact N-O 3.28Å; N25-W74 HydrophobicContact CB-CD2 4.2Å; N25-W74 HydrophobicContact CB-CE3 4.37Å; N25-W74 HydrophobicContact CB-CH2 4.02Å; N25-W74 HydrophobicContact CB-CZ2 3.81Å; N25-W74 HydrophobicContact CB-CZ3 4.28Å; N25-W74 VanDerWaalsContact ND2-CH2 3.34Å; N25-W74 WeakPolarHBondContact ND2-CH2 3.48Å; N25-W74 WeakPolarHBondContact ND2-CZ3 3.36Å | ||
| 26 | P | 94.9 | Very high | 96.8 | Very high | 55 Ų | 55 | 48.8 Ų | 48.8 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -72.6 | -14.5 | -176.9 | 27.3 | -32.9 | 0 | 0 | 0 | 114.2 | W74 | P26-W74 HydrophobicContact CG-CB 4.09Š|
| 27 | F | 94.4 | Very high | 96.9 | Very high | 16 Ų | 16 | 45.3 Ų | 45.3 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -108.9 | -31.7 | -176.9 | -46.5 | -70.3 | 0 | 0 | 0 | 113 | N25 P76 S78 S79 T305 P307 | N25-F27 PolarHBondContact O-N 3.33Å; N25-F27 WeakPolarHBondContact OD1-CA 3.43Å; N25-F27 WeakPolarHBondContact OD1-CB 3.27Å; N25-F27 PolarHBondContact OD1-N 3.01Å; F27-P76 VanDerWaalsContact CZ-O 3.3Å; F27-P76 WeakPolarHBondContact CZ-O 3.36Å; F27-S78 VanDerWaalsContact CE2-C 3.44Å; F27-S78 WeakPolarHBondContact CE2-O 3.24Å; F27-S79 VanDerWaalsContact CD2-CB 3.47Å; F27-S79 VanDerWaalsContact CE2-CA 3.5Å; F27-T305 WeakPolarHBondContact CA-O 3.35Å; F27-T305 WeakPolarHBondContact CB-O 3.4Å; F27-T305 WeakPolarHBondContact CD1-O 3.38Å; F27-P307 HydrophobicContact CD1-CB 3.91Å; F27-P307 HydrophobicContact CD2-CB 4.5Å; F27-P307 HydrophobicContact CE1-CB 3.91Å; F27-P307 HydrophobicContact CE2-CB 4.47Å; F27-P307 HydrophobicContact CG-CB 4.2Å; F27-P307 HydrophobicContact CZ-CB 4.18Å |
| 28 | F | 92.9 | Very high | 97 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | trans | -113.8 | 104.2 | -178.8 | -54.3 | -76.3 | 0 | 0 | 0 | 110.7 | N25 N30 V31 L337 F339 | N25-F28 HydrophobicContact CB-CB 4.33Å; N25-F28 WeakPolarHBondContact OD1-CD2 3.38Å; N25-F28 PolarHBondContact OD1-N 3.44Å; F28-N30 PolarHBondContact O-N 3.37Å; F28-N30 VanDerWaalsContact O-N 3.08Å; F28-V31 HydrophobicContact CB-CB 3.85Å; F28-V31 HydrophobicContact CB-CG2 3.61Å; F28-V31 HydrophobicContact CG-CG2 4.29Å; F28-V31 PolarHBondContact O-N 2.7Å; F28-L337 HydrophobicContact CD1-CB 4.22Å; F28-L337 VanDerWaalsContact CD1-O 3.28Å; F28-L337 WeakPolarHBondContact CD1-O 3.36Å; F28-L337 HydrophobicContact CE1-CB 3.6Å; F28-L337 WeakPolarHBondContact CE1-O 3.1Å; F28-L337 HydrophobicContact CZ-CB 4.49Å; F28-F339 HydrophobicContact CD1-CB 4.29Å; F28-F339 HydrophobicContact CD2-CB 4.24Å; F28-F339 HydrophobicContact CD2-CD2 4.16Å; F28-F339 HydrophobicContact CE1-CB 4.33Å; F28-F339 HydrophobicContact CE2-CB 4.32Å; F28-F339 AromaticContact CE2-CD2 3.96Å; F28-F339 HydrophobicContact CE2-CD2 3.96Å; F28-F339 HydrophobicContact CG-CB 4.25Å; F28-F339 HydrophobicContact CZ-CB 4.37Å | ||
| 29 | E | 90.8 | Very high | 97 | Very high | 93 Ų | 93 | 42 Ų | 42 | 44% | 0.435 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.4 | -174.2 | 62.7 | 172 | -160.6 | 0 | 0 | 114.7 | W24 R333 | W24-E29 WeakPolarHBondContact CZ3-O 3.49Å; E29-R333 IonicContact OE1-CZ 3.02Å; E29-R333 IonicContact OE1-NE 3.73Å; E29-R333 PolarHBondContact OE1-NE 3Å; E29-R333 IonicContact OE1-NH2 3.75Å; E29-R333 PolarHBondContact OE1-NH2 2.9Å |
| 30 | N | 93.4 | Very high | 97 | Very high | 48 Ų | 48 | 38.4 Ų | 38.4 | 26% | 0.257 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 1 | -179.3 | 70.5 | -31 | 0 | 0 | 0 | 113.2 | F28 E45 I46 | F28-N30 PolarHBondContact O-N 3.37Å; F28-N30 VanDerWaalsContact O-N 3.08Å; N30-E45 WeakPolarHBondContact ND2-CG 3.3Å; N30-E45 PolarHBondContact ND2-OE1 3.34Å; N30-I46 WeakPolarHBondContact CB-O 3.35Å; N30-I46 PolarHBondContact O-N 3.18Å |
| 31 | V | 96.6 | Very high | 97 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 130.8 | -177.8 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | N25 F28 I43 W44 W74 F339 | N25-V31 HydrophobicContact CB-CB 3.89Å; N25-V31 HydrophobicContact CB-CG1 4.04Å; N25-V31 WeakPolarHBondContact CB-O 3.37Å; N25-V31 PolarHBondContact N-O 3.28Å; F28-V31 HydrophobicContact CB-CB 3.85Å; F28-V31 HydrophobicContact CB-CG2 3.61Å; F28-V31 HydrophobicContact CG-CG2 4.29Å; F28-V31 PolarHBondContact O-N 2.7Å; V31-I43 HydrophobicContact CG1-CG2 3.49Å; V31-I43 VanDerWaalsContact CG1-CG2 3.49Å; V31-W44 WeakPolarHBondContact CA-O 3.36Å; V31-W74 HydrophobicContact CG1-CH2 4.05Å; V31-W74 HydrophobicContact CG1-CZ2 4.29Å; V31-F339 HydrophobicContact CG2-CB 3.75Å; V31-F339 HydrophobicContact CG2-CG 4.09Å |
| 32 | I | 98.1 | Very high | 97 | Very high | 21 Ų | 21 | 34.1 Ų | 34.1 | 11% | 0.108 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 139.8 | 176.9 | -170.4 | 172.6 | 0 | 0 | 0 | 110.4 | I22 K23 W24 W44 I46 | I22-I32 HydrophobicContact CB-CD1 4.23Å; K23-I32 WeakPolarHBondContact O-CG1 3.38Å; W24-I32 HydrophobicContact CD2-CB 4.09Å; W24-I32 HydrophobicContact CD2-CD1 4.13Å; W24-I32 HydrophobicContact CD2-CG1 4.23Å; W24-I32 HydrophobicContact CE3-CB 3.8Å; W24-I32 HydrophobicContact CE3-CG1 4.45Å; W24-I32 HydrophobicContact CH2-CB 4.43Å; W24-I32 HydrophobicContact CZ2-CD1 4.11Å; W24-I32 HydrophobicContact CZ3-CB 3.98Å; W24-I32 HydrophobicContact CZ3-CG2 4.4Å; I32-W44 HydrophobicContact CG2-CB 3.85Å; I32-W44 HydrophobicContact CG2-CG 4.34Å; I32-W44 PolarHBondContact N-O 2.93Å; I32-W44 PolarHBondContact O-N 3.05Å; I32-I46 HydrophobicContact CG2-CD1 4.14Å; I32-I46 HydrophobicContact CG2-CG1 4.15Å |
| 33 | A | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 147.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | I22 K23 R42 I43 I72 W74 L82 | I22-A33 CarbonylContact C-O 3.57Å; I22-A33 VanDerWaalsContact CA-O 3.25Å; I22-A33 WeakPolarHBondContact CA-O 3.47Å; K23-A33 PolarHBondContact N-O 3.39Å; K23-A33 PolarHBondContact O-N 2.89Å; A33-R42 CarbonylContact C-O 3.57Å; A33-R42 VanDerWaalsContact CA-O 3.3Å; A33-R42 WeakPolarHBondContact CA-O 3.35Å; A33-I43 HydrophobicContact CB-CD1 3.73Å; A33-I72 HydrophobicContact CB-CD1 4.15Å; A33-I72 HydrophobicContact CB-CG2 4.12Å; A33-W74 HydrophobicContact CB-CH2 4.33Å; A33-W74 HydrophobicContact CB-CZ2 3.46Å; A33-W74 VanDerWaalsContact CB-CZ2 3.46Å; A33-L82 HydrophobicContact CB-CD1 4.41Å; A33-L82 HydrophobicContact CB-CD2 4.4Å |
| 34 | S | 98.8 | Very high | 96.9 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 5% | 0.049 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 146.3 | 170.8 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | H15 D21 V41 R42 W44 | H15-S34 PolarHBondContact CD2-OG 2.85Å; H15-S34 PolarHBondContact NE2-OG 2.83Å; D21-S34 WeakPolarHBondContact O-CA 3.24Å; S34-V41 CarbonylContact O-C 3.52Å; S34-V41 WeakPolarHBondContact O-CA 3.48Å; S34-R42 PolarHBondContact N-O 3.4Å; S34-R42 PolarHBondContact O-N 3.4Å; S34-W44 PolarHBondContact OG-NE1 3.41Å |
| 35 | C | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 154.9 | 172.9 | 63.3 | 0 | 0 | 0 | 0 | 111.1 | V19 L20 D21 S40 V41 V69 I72 | V19-C35 CarbonylContact C-O 3.6Å; V19-C35 WeakPolarHBondContact CA-O 3.22Å; L20-C35 PolarHBondContact N-O 2.79Å; D21-C35 WeakPolarHBondContact CB-SG 3.45Å; D21-C35 PolarHBondContact N-SG 3.44Å; D21-C35 PolarHBondContact O-N 3.13Å; D21-C35 VanDerWaalsContact O-N 3.1Å; C35-S40 WeakPolarHBondContact CA-O 3.49Å; C35-V41 HydrophobicContact CB-CG2 4.01Å; C35-V69 HydrophobicContact CB-CB 3.73Å; C35-V69 HydrophobicContact CB-CG1 3.5Å; C35-V69 PolarHBondContact SG-O 3.19Å; C35-I72 HydrophobicContact CB-CD1 3.39Å; C35-I72 HydrophobicContact CB-CG1 3.71Å |
| 36 | S | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 165.8 | -168 | 175.2 | 0 | 0 | 0 | 0 | 114.6 | H15 G17 N18 D38 T39 S40 V69 | H15-S36 VanDerWaalsContact CE1-CB 3.49Å; H15-S36 WeakPolarHBondContact CE1-CB 3.28Å; H15-S36 WeakPolarHBondContact ND1-CB 3.48Å; G17-S36 PolarHBondContact O-OG 2.77Å; N18-S36 VanDerWaalsContact O-CA 3.26Å; N18-S36 WeakPolarHBondContact O-CA 3.47Å; N18-S36 PolarHBondContact O-OG 3.38Å; N18-S36 VanDerWaalsContact O-OG 3.08Å; S36-D38 VanDerWaalsContact CB-OD1 3.29Å; S36-D38 WeakPolarHBondContact CB-OD1 3.46Å; S36-D38 PolarHBondContact O-N 2.85Å; S36-D38 PolarHBondContact OG-N 3.47Å; S36-D38 PolarHBondContact OG-OD1 3.5Å; S36-T39 PolarHBondContact O-N 3.04Å; S36-S40 PolarHBondContact N-O 3.16Å; S36-V69 PolarHBondContact O-N 3.39Å |
| 37 | E | 98.6 | Very high | 96.6 | Very high | 68 Ų | 68 | 24.9 Ų | 24.9 | 32% | 0.318 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21.7 | 165.4 | -67.3 | -169.4 | 136.3 | 0 | 0 | 114.2 | N18 L20 T39 R68 | N18-E37 HydrophobicContact CB-CG 4.18Å; N18-E37 WeakPolarHBondContact CB-OE2 3.47Å; N18-E37 PolarHBondContact ND2-OE2 3.27Å; N18-E37 PolarHBondContact O-N 3.49Å; L20-E37 HydrophobicContact CD1-CG 3.82Å; L20-E37 HydrophobicContact CD2-CG 4.03Å; L20-E37 HydrophobicContact CG-CG 4.04Å; E37-T39 PolarHBondContact O-N 3.03Å; E37-T39 VanDerWaalsContact O-N 3.14Å; E37-R68 HydrophobicContact CB-CB 4.32Å; E37-R68 HydrophobicContact CG-CB 4.26Å; E37-R68 IonicContact OE1-NH1 2.63Å; E37-R68 PolarHBondContact OE1-NH1 3.05Å; E37-R68 VanDerWaalsContact OE1-NH1 3.11Å |
| 38 | D | 97.8 | Very high | 96.4 | Very high | 33 Ų | 33 | 31 Ų | 31 | 18% | 0.176 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 10.8 | 175 | 71.2 | 15.4 | 0 | 0 | 0 | 114.8 | H15 Q16 S36 S40 | H15-D38 VanDerWaalsContact CA-OD2 3.29Å; H15-D38 WeakPolarHBondContact CA-OD2 3.49Å; H15-D38 WeakPolarHBondContact CB-OD2 3.35Å; H15-D38 IonicContact CE1-OD1 3.95Å; H15-D38 IonicContact CG-OD2 3.94Å; H15-D38 IonicContact ND1-OD1 3.11Å; H15-D38 PolarHBondContact ND1-OD1 3.17Å; H15-D38 IonicContact ND1-OD2 2.7Å; H15-D38 PolarHBondContact ND1-OD2 2.88Å; Q16-D38 HydrophobicContact CB-CB 4Å; Q16-D38 PolarHBondContact N-OD2 3.48Å; S36-D38 VanDerWaalsContact CB-OD1 3.29Å; S36-D38 WeakPolarHBondContact CB-OD1 3.46Å; S36-D38 PolarHBondContact O-N 2.85Å; S36-D38 PolarHBondContact OG-N 3.47Å; S36-D38 PolarHBondContact OG-OD1 3.5Å; D38-S40 VanDerWaalsContact CG-OG 3.31Å; D38-S40 PolarHBondContact O-N 2.98Å; D38-S40 VanDerWaalsContact OD1-CB 3.32Å; D38-S40 WeakPolarHBondContact OD1-CB 3.11Å; D38-S40 PolarHBondContact OD1-N 2.91Å; D38-S40 PolarHBondContact OD1-OG 3.04Å; D38-S40 PolarHBondContact OD2-OG 2.87Å |
| 39 | T | 98.1 | Very high | 96.2 | Very high | 32 Ų | 32 | 34 Ų | 34 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 66.4 | 7.1 | 179.1 | 84.1 | 0 | 0 | 0 | 0 | 115.6 | S36 E37 R67 | S36-T39 PolarHBondContact O-N 3.04Å; E37-T39 PolarHBondContact O-N 3.03Å; E37-T39 VanDerWaalsContact O-N 3.14Å; T39-R67 VanDerWaalsContact CG2-C 3.44Å |
| 40 | S | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 153.7 | 179 | 73.7 | 0 | 0 | 0 | 0 | 113 | H15 C35 S36 D38 | H15-S40 PolarHBondContact CE1-OG 3.36Å; H15-S40 VanDerWaalsContact CE1-OG 3.22Å; H15-S40 PolarHBondContact ND1-OG 3.1Å; C35-S40 WeakPolarHBondContact CA-O 3.49Å; S36-S40 PolarHBondContact N-O 3.16Å; D38-S40 VanDerWaalsContact CG-OG 3.31Å; D38-S40 PolarHBondContact O-N 2.98Å; D38-S40 VanDerWaalsContact OD1-CB 3.32Å; D38-S40 WeakPolarHBondContact OD1-CB 3.11Å; D38-S40 PolarHBondContact OD1-N 2.91Å; D38-S40 PolarHBondContact OD1-OG 3.04Å; D38-S40 PolarHBondContact OD2-OG 2.87Å |
| 41 | V | 98.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 135.9 | 160 | 176.5 | 0 | 0 | 0 | 0 | 107.7 | S34 C35 L62 V69 I72 L82 | S34-V41 CarbonylContact O-C 3.52Å; S34-V41 WeakPolarHBondContact O-CA 3.48Å; C35-V41 HydrophobicContact CB-CG2 4.01Å; V41-L62 HydrophobicContact CB-CB 4.08Å; V41-L62 HydrophobicContact CB-CD1 4.29Å; V41-L62 HydrophobicContact CG1-CD1 4.06Å; V41-L62 PolarHBondContact N-O 2.77Å; V41-L62 WeakPolarHBondContact O-CB 3.05Å; V41-L62 PolarHBondContact O-N 2.95Å; V41-V69 HydrophobicContact CG2-CB 4.39Å; V41-V69 HydrophobicContact CG2-CG1 3.77Å; V41-V69 HydrophobicContact CG2-CG2 4.49Å; V41-I72 HydrophobicContact CG1-CD1 3.95Å; V41-I72 HydrophobicContact CG1-CG1 4.32Å; V41-I72 HydrophobicContact CG2-CG1 4.42Å; V41-L82 HydrophobicContact CG1-CD2 3.72Å |
| 42 | R | 98.4 | Very high | 95.8 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 6% | 0.057 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 138.6 | -178.2 | -67 | -176 | 175.5 | -137.1 | -11.3 | 110.9 | G14 A33 S34 W44 A58 L60 E61 Y63 | G14-R42 PolarHBondContact O-NH1 3.33Å; A33-R42 CarbonylContact C-O 3.57Å; A33-R42 VanDerWaalsContact CA-O 3.3Å; A33-R42 WeakPolarHBondContact CA-O 3.35Å; S34-R42 PolarHBondContact N-O 3.4Å; S34-R42 PolarHBondContact O-N 3.4Å; R42-W44 HydrophobicContact CB-CH2 4.44Å; R42-W44 HydrophobicContact CB-CZ2 3.57Å; R42-W44 HydrophobicContact CG-CZ2 4.12Å; R42-W44 PolarHBondContact O-NE1 3.26Å; R42-A58 HydrophobicContact CB-CB 3.89Å; R42-A58 HydrophobicContact CG-CB 4.19Å; R42-L60 WeakPolarHBondContact CA-O 3.49Å; R42-E61 HydrophobicContact CG-CG 4.21Å; R42-E61 IonicContact CZ-OE1 3.83Å; R42-E61 IonicContact NE-OE1 2.7Å; R42-E61 IonicContact NH1-OE1 3.36Å; R42-E61 PolarHBondContact NH1-OE1 2.86Å; R42-E61 IonicContact NH2-OE1 3.27Å; R42-E61 PolarHBondContact NH2-OE1 3.33Å; R42-E61 IonicContact NH2-OE2 3.23Å; R42-Y63 PolarHBondContact NH2-OH 3.47Å |
| 43 | I | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 131.4 | 174.7 | -46 | -56.1 | 0 | 0 | 0 | 108.1 | V31 A33 A58 V59 L60 L62 W74 L82 L96 F339 | V31-I43 HydrophobicContact CG1-CG2 3.49Å; V31-I43 VanDerWaalsContact CG1-CG2 3.49Å; A33-I43 HydrophobicContact CB-CD1 3.73Å; I43-A58 CarbonylContact O-C 3.48Å; I43-A58 WeakPolarHBondContact O-CB 3.44Å; I43-V59 HydrophobicContact CB-CG2 4.03Å; I43-V59 HydrophobicContact CG2-CG2 3.89Å; I43-V59 WeakPolarHBondContact O-CG2 3.42Å; I43-V59 PolarHBondContact O-N 3.01Å; I43-L60 HydrophobicContact CB-CB 4Å; I43-L60 HydrophobicContact CG1-CB 3.94Å; I43-L60 HydrophobicContact CG1-CD2 4.25Å; I43-L60 HydrophobicContact CG1-CG 4.35Å; I43-L60 PolarHBondContact N-O 2.94Å; I43-L60 PolarHBondContact O-N 3.33Å; I43-L62 HydrophobicContact CD1-CD1 4.49Å; I43-W74 HydrophobicContact CD1-CH2 3.96Å; I43-W74 HydrophobicContact CD1-CZ2 4.34Å; I43-W74 HydrophobicContact CG2-CH2 4.35Å; I43-L82 HydrophobicContact CD1-CD2 3.91Å; I43-L96 HydrophobicContact CD1-CD2 4.5Å; I43-F339 HydrophobicContact CG2-CE1 4.08Å; I43-F339 HydrophobicContact CG2-CZ 4.01Å |
| 44 | W | 97.5 | Very high | 95.2 | Very high | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.011 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 137.7 | -177.8 | -45.9 | 89.3 | 0 | 0 | 0 | 109.3 | V12 V31 I32 S34 R42 I46 M55 A58 | V12-W44 HydrophobicContact CG1-CD2 3.4Å; V12-W44 VanDerWaalsContact CG1-CD2 3.4Å; V12-W44 HydrophobicContact CG1-CE3 3.5Å; V12-W44 VanDerWaalsContact CG1-CE3 3.5Å; V12-W44 HydrophobicContact CG1-CG 4.01Å; V12-W44 HydrophobicContact CG1-CH2 3.81Å; V12-W44 HydrophobicContact CG1-CZ2 3.71Å; V12-W44 HydrophobicContact CG1-CZ3 3.7Å; V31-W44 WeakPolarHBondContact CA-O 3.36Å; I32-W44 HydrophobicContact CG2-CB 3.85Å; I32-W44 HydrophobicContact CG2-CG 4.34Å; I32-W44 PolarHBondContact N-O 2.93Å; I32-W44 PolarHBondContact O-N 3.05Å; S34-W44 PolarHBondContact OG-NE1 3.41Å; R42-W44 HydrophobicContact CB-CH2 4.44Å; R42-W44 HydrophobicContact CB-CZ2 3.57Å; R42-W44 HydrophobicContact CG-CZ2 4.12Å; R42-W44 PolarHBondContact O-NE1 3.26Å; W44-I46 HydrophobicContact CB-CD1 4.34Å; W44-M55 HydrophobicContact CB-SD 4.2Å; W44-M55 HydrophobicContact CD2-SD 4.47Å; W44-M55 HydrophobicContact CE3-CG 4.05Å; W44-M55 HydrophobicContact CE3-SD 3.71Å; W44-M55 HydrophobicContact CZ3-CG 4.3Å; W44-A58 HydrophobicContact CD2-CB 4.12Å; W44-A58 HydrophobicContact CE3-CB 3.81Å; W44-A58 HydrophobicContact CH2-CB 3.93Å; W44-A58 HydrophobicContact CZ2-CB 4.23Å; W44-A58 HydrophobicContact CZ3-CB 3.72Å |
| 45 | E | 95.8 | Very high | 94.9 | Very high | 70 Ų | 70 | 54 Ų | 54 | 33% | 0.327 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 114.9 | 169.2 | -170.9 | 178.8 | -178.2 | 0 | 0 | 108.6 | N30 M55 V59 | N30-E45 WeakPolarHBondContact ND2-CG 3.3Å; N30-E45 PolarHBondContact ND2-OE1 3.34Å; E45-M55 WeakPolarHBondContact O-CE 3.47Å; E45-V59 HydrophobicContact CB-CG1 3.73Å; E45-V59 HydrophobicContact CB-CG2 4.46Å |
| 46 | I | 94.9 | Very high | 94.7 | Very high | 29 Ų | 29 | 57.6 Ų | 57.6 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 123.7 | -178.5 | -54 | -53.7 | 0 | 0 | 0 | 108.9 | V12 W24 N30 I32 W44 M55 | V12-I46 HydrophobicContact CG2-CD1 4.16Å; W24-I46 HydrophobicContact CH2-CG1 3.85Å; W24-I46 HydrophobicContact CZ3-CG1 4.04Å; N30-I46 WeakPolarHBondContact CB-O 3.35Å; N30-I46 PolarHBondContact O-N 3.18Å; I32-I46 HydrophobicContact CG2-CD1 4.14Å; I32-I46 HydrophobicContact CG2-CG1 4.15Å; W44-I46 HydrophobicContact CB-CD1 4.34Å; I46-M55 HydrophobicContact CD1-CE 4.3Å; I46-M55 HydrophobicContact CD1-SD 4.4Å |
| 47 | P | 92.4 | Very high | 94.4 | Very high | 68 Ų | 68 | 65.3 Ų | 65.3 | 44% | 0.442 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 149.5 | 177.9 | -23.4 | 33.2 | 0 | 0 | 0 | 112.2 | G49 G50 M55 | P47-G49 PolarHBondContact O-N 3.21Å; P47-G50 WeakPolarHBondContact O-CA 3.48Å; P47-G50 PolarHBondContact O-N 3.37Å; P47-M55 HydrophobicContact CG-CE 4.32Å |
| 48 | E | 89.3 | Confident | 94.3 | Very high | 146 Ų | 146 | 63 Ų | 63 | 68% | 0.682 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 135.3 | 170.7 | -173.3 | 166.6 | -140.9 | 0 | 0 | 110.8 | G50 R333 | E48-G50 PolarHBondContact O-N 3.4Å; E48-R333 IonicContact OE1-CZ 2.99Å; E48-R333 IonicContact OE1-NH1 3.23Å; E48-R333 PolarHBondContact OE1-NH1 3.14Å; E48-R333 IonicContact OE1-NH2 2.82Å |
| 49 | G | 88.1 | Confident | 94.1 | Very high | 80 Ų | 80 | 64 Ų | 64 | 83% | 0.825 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 3.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P47 | P47-G49 PolarHBondContact O-N 3.21Š|
| 50 | G | 90 | Very high | 94.1 | Very high | 20 Ų | 20 | 63 Ų | 63 | 21% | 0.206 | 33% | 0.325 | C | S | . | . | trans | 85.7 | -171.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | P47 E48 | P47-G50 WeakPolarHBondContact O-CA 3.48Å; P47-G50 PolarHBondContact O-N 3.37Å; E48-G50 PolarHBondContact O-N 3.4Å | ||
| 51 | L | 92.3 | Very high | 94 | Very high | 24 Ų | 24 | 65.5 Ų | 65.5 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | trans | -76.9 | 125.5 | -175.6 | -60.2 | -178.6 | 0 | 0 | 0 | 111.8 | P10 V12 M55 | P10-L51 HydrophobicContact CB-CB 3.67Å; P10-L51 WeakPolarHBondContact CG-O 3.41Å; V12-L51 HydrophobicContact CG2-CD1 3.88Å; L51-M55 HydrophobicContact CD2-CB 4.16Å; L51-M55 HydrophobicContact CD2-CE 3.55Å; L51-M55 HydrophobicContact CD2-SD 4.46Å | ||
| 52 | R | 89.9 | Confident | 93.9 | Very high | 236 Ų | 236 | 65.5 Ų | 65.5 | 89% | 0.891 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -94 | -21.2 | 170.9 | -61.3 | -174 | -177.5 | -146.4 | 1.2 | 113.7 | ||
| 53 | R | 91.4 | Very high | 93.7 | Very high | 195 Ų | 195 | 69.8 Ų | 69.8 | 74% | 0.736 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -148.5 | 162.4 | 177.7 | 61.1 | 178.8 | 170.9 | 90.3 | -3.3 | 109.2 | M55 | R53-M55 PolarHBondContact O-N 2.78Š|
| 54 | N | 92.9 | Very high | 93.5 | Very high | 86 Ų | 86 | 72 Ų | 72 | 46% | 0.46 | 38% | 0.376 | S | S | . | . | trans | -57.3 | 134.6 | 175.8 | -69.6 | -16.5 | 0 | 0 | 0 | 109.9 | P10 K11 | P10-N54 WeakPolarHBondContact CA-OD1 3.47Å; K11-N54 PolarHBondContact N-OD1 3.26Å; K11-N54 CarbonylContact O-C 3.49Å; K11-N54 VanDerWaalsContact O-CA 3.26Å; K11-N54 WeakPolarHBondContact O-CA 3.36Å | ||
| 55 | M | 94 | Very high | 93.4 | Very high | 27 Ų | 27 | 72.3 Ų | 72.3 | 13% | 0.133 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -101.6 | 117.4 | 176.7 | 178.2 | -171.7 | -73.4 | 0 | 0 | 108.1 | K11 V12 C13 W44 E45 I46 P47 L51 R53 | K11-M55 PolarHBondContact O-N 2.96Å; V12-M55 CarbonylContact C-O 3.58Å; V12-M55 WeakPolarHBondContact CA-O 3.39Å; V12-M55 HydrophobicContact CG2-SD 4.32Å; C13-M55 PolarHBondContact N-O 3.05Å; W44-M55 HydrophobicContact CB-SD 4.2Å; W44-M55 HydrophobicContact CD2-SD 4.47Å; W44-M55 HydrophobicContact CE3-CG 4.05Å; W44-M55 HydrophobicContact CE3-SD 3.71Å; W44-M55 HydrophobicContact CZ3-CG 4.3Å; E45-M55 WeakPolarHBondContact O-CE 3.47Å; I46-M55 HydrophobicContact CD1-CE 4.3Å; I46-M55 HydrophobicContact CD1-SD 4.4Å; P47-M55 HydrophobicContact CG-CE 4.32Å; L51-M55 HydrophobicContact CD2-CB 4.16Å; L51-M55 HydrophobicContact CD2-CE 3.55Å; L51-M55 HydrophobicContact CD2-SD 4.46Å; R53-M55 PolarHBondContact O-N 2.78Å |
| 56 | T | 93.4 | Very high | 93.5 | Very high | 76 Ų | 76 | 73.4 Ų | 73.4 | 47% | 0.466 | 39% | 0.393 | S | S | . | . | trans | -112.6 | -20.4 | -178.8 | 49.9 | 0 | 0 | 0 | 0 | 112.6 | C13 G14 | C13-T56 HydrophobicContact CB-CG2 4.22Å; G14-T56 VanDerWaalsContact CA-O 3.23Å; G14-T56 WeakPolarHBondContact CA-O 3.28Å | ||
| 57 | E | 92.4 | Very high | 93.6 | Very high | 163 Ų | 163 | 78.4 Ų | 78.4 | 76% | 0.762 | 41% | 0.41 | S | S | * | . | trans | -99.6 | 122.3 | -179.1 | -64.9 | 179.1 | 179.6 | 0 | 0 | 109.2 | ||||
| 58 | A | 95.8 | Very high | 93.9 | Very high | 19 Ų | 19 | 80 Ų | 80 | 16% | 0.157 | 41% | 0.407 | C | S | . | . | trans | -81.4 | 150.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | R42 I43 W44 L60 E61 | R42-A58 HydrophobicContact CB-CB 3.89Å; R42-A58 HydrophobicContact CG-CB 4.19Å; I43-A58 CarbonylContact O-C 3.48Å; I43-A58 WeakPolarHBondContact O-CB 3.44Å; W44-A58 HydrophobicContact CD2-CB 4.12Å; W44-A58 HydrophobicContact CE3-CB 3.81Å; W44-A58 HydrophobicContact CH2-CB 3.93Å; W44-A58 HydrophobicContact CZ2-CB 4.23Å; W44-A58 HydrophobicContact CZ3-CB 3.72Å; A58-L60 PolarHBondContact O-N 3.3Å; A58-E61 HydrophobicContact CB-CG 3.86Å | ||
| 59 | V | 95.5 | Very high | 94.3 | Very high | 54 Ų | 54 | 73 Ų | 73 | 33% | 0.327 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -70.5 | -27 | 173.1 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | I43 E45 F339 A341 | I43-V59 HydrophobicContact CB-CG2 4.03Å; I43-V59 HydrophobicContact CG2-CG2 3.89Å; I43-V59 WeakPolarHBondContact O-CG2 3.42Å; I43-V59 PolarHBondContact O-N 3.01Å; E45-V59 HydrophobicContact CB-CG1 3.73Å; E45-V59 HydrophobicContact CB-CG2 4.46Å; V59-F339 HydrophobicContact CG2-CD1 4.14Å; V59-F339 HydrophobicContact CG2-CE1 3.79Å; V59-A341 HydrophobicContact CB-CB 4.34Å; V59-A341 WeakPolarHBondContact O-CB 3.14Å |
| 60 | L | 96.2 | Very high | 94.8 | Very high | 12 Ų | 12 | 70 Ų | 70 | 6% | 0.063 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 135.9 | 173.7 | -178.9 | 57.1 | 0 | 0 | 0 | 110.2 | R42 I43 A58 L62 L96 P342 | R42-L60 WeakPolarHBondContact CA-O 3.49Å; I43-L60 HydrophobicContact CB-CB 4Å; I43-L60 HydrophobicContact CG1-CB 3.94Å; I43-L60 HydrophobicContact CG1-CD2 4.25Å; I43-L60 HydrophobicContact CG1-CG 4.35Å; I43-L60 PolarHBondContact N-O 2.94Å; I43-L60 PolarHBondContact O-N 3.33Å; A58-L60 PolarHBondContact O-N 3.3Å; L60-L62 HydrophobicContact CD1-CD2 4.1Å; L60-L62 HydrophobicContact CD2-CD2 3.82Å; L60-L62 HydrophobicContact CD2-CG 4.46Å; L60-L62 HydrophobicContact CG-CD2 3.73Å; L60-L62 HydrophobicContact CG-CG 4.21Å; L60-L96 HydrophobicContact CD2-CB 4.35Å; L60-L96 HydrophobicContact CD2-CD2 4.05Å; L60-P342 HydrophobicContact CD1-CG 3.97Å; L60-P342 HydrophobicContact CD2-CG 4.28Å |
| 61 | E | 96.3 | Very high | 95.3 | Very high | 52 Ų | 52 | 70 Ų | 70 | 24% | 0.243 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.7 | 175 | -58.5 | -175.3 | 161.8 | 0 | 0 | 108.6 | R42 A58 Y63 | R42-E61 HydrophobicContact CG-CG 4.21Å; R42-E61 IonicContact CZ-OE1 3.83Å; R42-E61 IonicContact NE-OE1 2.7Å; R42-E61 IonicContact NH1-OE1 3.36Å; R42-E61 PolarHBondContact NH1-OE1 2.86Å; R42-E61 IonicContact NH2-OE1 3.27Å; R42-E61 PolarHBondContact NH2-OE1 3.33Å; R42-E61 IonicContact NH2-OE2 3.23Å; A58-E61 HydrophobicContact CB-CG 3.86Å; E61-Y63 HydrophobicContact CB-CD2 4.32Å; E61-Y63 HydrophobicContact CB-CE2 3.64Å; E61-Y63 PolarHBondContact OE2-OH 2.87Å |
| 62 | L | 96 | Very high | 95.6 | Very high | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 118.6 | -173.9 | -57.1 | 175.1 | 0 | 0 | 0 | 108.9 | V41 I43 L60 L82 W94 L96 G99 | V41-L62 HydrophobicContact CB-CB 4.08Å; V41-L62 HydrophobicContact CB-CD1 4.29Å; V41-L62 HydrophobicContact CG1-CD1 4.06Å; V41-L62 PolarHBondContact N-O 2.77Å; V41-L62 WeakPolarHBondContact O-CB 3.05Å; V41-L62 PolarHBondContact O-N 2.95Å; I43-L62 HydrophobicContact CD1-CD1 4.49Å; L60-L62 HydrophobicContact CD1-CD2 4.1Å; L60-L62 HydrophobicContact CD2-CD2 3.82Å; L60-L62 HydrophobicContact CD2-CG 4.46Å; L60-L62 HydrophobicContact CG-CD2 3.73Å; L60-L62 HydrophobicContact CG-CG 4.21Å; L62-L82 HydrophobicContact CD1-CD2 4.05Å; L62-W94 HydrophobicContact CB-CD2 4.06Å; L62-W94 HydrophobicContact CB-CE3 3.86Å; L62-W94 HydrophobicContact CB-CH2 3.98Å; L62-W94 HydrophobicContact CB-CZ2 4.17Å; L62-W94 HydrophobicContact CB-CZ3 3.81Å; L62-W94 HydrophobicContact CD1-CB 4.09Å; L62-W94 HydrophobicContact CD1-CD2 3.87Å; L62-W94 HydrophobicContact CD1-CE3 4.2Å; L62-W94 HydrophobicContact CD1-CG 3.8Å; L62-W94 HydrophobicContact CD2-CD2 4.37Å; L62-W94 HydrophobicContact CD2-CE3 3.86Å; L62-W94 HydrophobicContact CD2-CZ3 4.35Å; L62-W94 HydrophobicContact CG-CD2 4.33Å; L62-W94 HydrophobicContact CG-CE3 4.19Å; L62-L96 HydrophobicContact CD1-CD2 3.87Å; L62-G99 WeakPolarHBondContact CD2-O 3.26Å |
| 63 | Y | 95.8 | Very high | 96 | Very high | 105 Ų | 105 | 59.5 Ų | 59.5 | 41% | 0.412 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 130.2 | -178.4 | -67.9 | -82.8 | 0 | 0 | 0 | 109.8 | R42 E61 W94 | R42-Y63 PolarHBondContact NH2-OH 3.47Å; E61-Y63 HydrophobicContact CB-CD2 4.32Å; E61-Y63 HydrophobicContact CB-CE2 3.64Å; E61-Y63 PolarHBondContact OE2-OH 2.87Å; Y63-W94 WeakPolarHBondContact O-CH2 3.47Å |
| 64 | G | 92.9 | Very high | 96.3 | Very high | 47 Ų | 47 | 50.9 Ų | 50.9 | 49% | 0.485 | 27% | 0.267 | S | S | . | . | trans | 177.1 | -28.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 65 | H | 96.9 | Very high | 96.6 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 4% | 0.042 | 25% | 0.245 | C | C | . | . | trans | -72.2 | 141.9 | 169.9 | -73.9 | -74.3 | 0 | 0 | 0 | 111.2 | V69 S84 G86 D88 K90 | H65-V69 HydrophobicContact CB-CG2 3.55Å; H65-V69 WeakPolarHBondContact CD2-CG2 3.44Å; H65-S84 PolarHBondContact CD2-OG 3.35Å; H65-S84 PolarHBondContact NE2-O 2.86Å; H65-S84 PolarHBondContact NE2-OG 3.25Å; H65-G86 PolarHBondContact CE1-N 3.47Å; H65-G86 VanDerWaalsContact CE1-N 3.26Å; H65-D88 VanDerWaalsContact CA-OD2 3.27Å; H65-D88 WeakPolarHBondContact CA-OD2 3.43Å; H65-D88 IonicContact CE1-OD1 3.26Å; H65-D88 IonicContact CG-OD2 3.07Å; H65-D88 IonicContact ND1-OD1 2.71Å; H65-D88 PolarHBondContact ND1-OD1 2.95Å; H65-D88 IonicContact ND1-OD2 2.72Å; H65-D88 PolarHBondContact ND1-OD2 2.97Å; H65-K90 PolarHBondContact CE1-O 3.27Å | ||
| 66 | S | 96.4 | Very high | 96.8 | Very high | 93 Ų | 93 | 47.3 Ų | 47.3 | 65% | 0.65 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -90.7 | -6.4 | 178.9 | 60 | 0 | 0 | 0 | 0 | 113.4 | D88 | S66-D88 PolarHBondContact N-OD2 3.41Å; S66-D88 WeakPolarHBondContact OG-CB 3.35Å; S66-D88 PolarHBondContact OG-OD2 3.09Å |
| 67 | R | 97.9 | Very high | 97 | Very high | 134 Ų | 134 | 43.7 Ų | 43.7 | 51% | 0.506 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -142.2 | 170.8 | 179.9 | -69.7 | 179.5 | 163.3 | -171.4 | -1.8 | 109.5 | T39 V69 Y87 D88 | T39-R67 VanDerWaalsContact CG2-C 3.44Å; R67-V69 PolarHBondContact O-N 3.43Å; R67-Y87 VanDerWaalsContact CD-C 3.46Å; R67-Y87 WeakPolarHBondContact CD-O 3.38Å; R67-Y87 PolarHBondContact NH1-O 3.47Å; R67-Y87 VanDerWaalsContact NH1-O 3.13Å; R67-D88 HydrophobicContact CB-CB 4.23Å; R67-D88 HydrophobicContact CG-CB 4.33Å |
| 68 | R | 98.3 | Very high | 97.2 | Very high | 101 Ų | 101 | 36 Ų | 36 | 38% | 0.381 | 19% | 0.192 | S | C | . | . | trans | -47.2 | 137.6 | 179.1 | 60.1 | 177.6 | 162.6 | -155.8 | -8.7 | 112.4 | L20 E37 G86 Y87 | L20-R68 HydrophobicContact CD1-CB 4.1Å; L20-R68 HydrophobicContact CD1-CG 4.31Å; E37-R68 HydrophobicContact CB-CB 4.32Å; E37-R68 HydrophobicContact CG-CB 4.26Å; E37-R68 IonicContact OE1-NH1 2.63Å; E37-R68 PolarHBondContact OE1-NH1 3.05Å; E37-R68 VanDerWaalsContact OE1-NH1 3.11Å; R68-G86 WeakPolarHBondContact O-CA 3.23Å; R68-Y87 HydrophobicContact CG-CD1 4.11Å; R68-Y87 HydrophobicContact CG-CD2 3.6Å; R68-Y87 HydrophobicContact CG-CE2 4.2Å; R68-Y87 HydrophobicContact CG-CG 3.54Å; R68-Y87 VanDerWaalsContact NE-CD1 3.32Å; R68-Y87 VanDerWaalsContact NE-CE1 3.35Å; R68-Y87 PolarHBondContact O-N 3.48Å | ||
| 69 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 120.6 | -179.7 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | L20 C35 S36 V41 H65 R67 | L20-V69 WeakPolarHBondContact CD1-O 3.29Å; C35-V69 HydrophobicContact CB-CB 3.73Å; C35-V69 HydrophobicContact CB-CG1 3.5Å; C35-V69 PolarHBondContact SG-O 3.19Å; S36-V69 PolarHBondContact O-N 3.39Å; V41-V69 HydrophobicContact CG2-CB 4.39Å; V41-V69 HydrophobicContact CG2-CG1 3.77Å; V41-V69 HydrophobicContact CG2-CG2 4.49Å; H65-V69 HydrophobicContact CB-CG2 3.55Å; H65-V69 WeakPolarHBondContact CD2-CG2 3.44Å; R67-V69 PolarHBondContact O-N 3.43Å |
| 70 | G | 98.5 | Very high | 97.1 | Very high | 16 Ų | 16 | 33.8 Ų | 33.8 | 17% | 0.165 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | -15 | -168 | 0 | 0 | 0 | 0 | 0 | 115.1 | A85 | G70-A85 PolarHBondContact N-O 3.49Å |
| 71 | L | 98.8 | Very high | 97.2 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 11% | 0.11 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 142.9 | -175.7 | -58.4 | 171.2 | 0 | 0 | 0 | 110.2 | S84 A85 I112 M115 | L71-S84 WeakPolarHBondContact O-CA 3.45Å; L71-A85 HydrophobicContact CB-CB 4.18Å; L71-A85 HydrophobicContact CD1-CB 4.26Å; L71-A85 PolarHBondContact N-O 3.3Å; L71-A85 PolarHBondContact O-N 3.03Å; L71-I112 HydrophobicContact CD1-CB 4.43Å; L71-I112 HydrophobicContact CD1-CG2 3.88Å; L71-M115 HydrophobicContact CB-CE 3.79Å; L71-M115 HydrophobicContact CD1-CG 4.24Å |
| 72 | I | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 142.5 | 169.8 | -68.3 | 161.9 | 0 | 0 | 0 | 109.5 | D21 K23 A33 C35 V41 L82 F83 | D21-I72 PolarHBondContact OD2-N 3.3Å; D21-I72 VanDerWaalsContact OD2-N 3.1Å; K23-I72 VanDerWaalsContact CD-O 3.22Å; K23-I72 WeakPolarHBondContact CD-O 3.41Å; K23-I72 WeakPolarHBondContact CE-O 3.3Å; A33-I72 HydrophobicContact CB-CD1 4.15Å; A33-I72 HydrophobicContact CB-CG2 4.12Å; C35-I72 HydrophobicContact CB-CD1 3.39Å; C35-I72 HydrophobicContact CB-CG1 3.71Å; V41-I72 HydrophobicContact CG1-CD1 3.95Å; V41-I72 HydrophobicContact CG1-CG1 4.32Å; V41-I72 HydrophobicContact CG2-CG1 4.42Å; I72-L82 HydrophobicContact CG2-CD1 3.49Å; I72-L82 VanDerWaalsContact CG2-CD1 3.49Å; I72-L82 HydrophobicContact CG2-CD2 4.19Å; I72-L82 HydrophobicContact CG2-CG 3.99Å; I72-F83 CarbonylContact C-O 3.54Å; I72-F83 WeakPolarHBondContact CA-O 3.24Å |
| 73 | E | 98.6 | Very high | 97.4 | Very high | 39 Ų | 39 | 30.7 Ų | 30.7 | 18% | 0.182 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 130 | 166.7 | -70.8 | -62.9 | 165.7 | 0 | 0 | 110.8 | K23 F83 M115 F117 | K23-E73 IonicContact NZ-OE1 2.94Å; K23-E73 PolarHBondContact NZ-OE1 2.98Å; K23-E73 IonicContact NZ-OE2 2.86Å; K23-E73 PolarHBondContact NZ-OE2 3.15Å; E73-F83 HydrophobicContact CB-CB 4.37Å; E73-F83 PolarHBondContact N-O 3.35Å; E73-F83 PolarHBondContact O-N 2.89Å; E73-M115 HydrophobicContact CB-CE 4.38Å; E73-M115 HydrophobicContact CG-CB 3.71Å; E73-M115 HydrophobicContact CG-CE 4.04Å; E73-F117 HydrophobicContact CB-CD2 4.14Å; E73-F117 HydrophobicContact CB-CE2 3.79Å |
| 74 | W | 98.6 | Very high | 97.6 | Very high | 14 Ų | 14 | 25.7 Ų | 25.7 | 5% | 0.053 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 143.2 | 167.7 | -66.6 | 99.4 | 0 | 0 | 0 | 109.5 | K23 W24 N25 P26 V31 A33 I43 L82 L96 | K23-W74 PolarHBondContact O-NE1 3.32Å; W24-W74 PolarHBondContact O-NE1 3.03Å; N25-W74 HydrophobicContact CB-CD2 4.2Å; N25-W74 HydrophobicContact CB-CE3 4.37Å; N25-W74 HydrophobicContact CB-CH2 4.02Å; N25-W74 HydrophobicContact CB-CZ2 3.81Å; N25-W74 HydrophobicContact CB-CZ3 4.28Å; N25-W74 VanDerWaalsContact ND2-CH2 3.34Å; N25-W74 WeakPolarHBondContact ND2-CH2 3.48Å; N25-W74 WeakPolarHBondContact ND2-CZ3 3.36Å; P26-W74 HydrophobicContact CG-CB 4.09Å; V31-W74 HydrophobicContact CG1-CH2 4.05Å; V31-W74 HydrophobicContact CG1-CZ2 4.29Å; A33-W74 HydrophobicContact CB-CH2 4.33Å; A33-W74 HydrophobicContact CB-CZ2 3.46Å; A33-W74 VanDerWaalsContact CB-CZ2 3.46Å; I43-W74 HydrophobicContact CD1-CH2 3.96Å; I43-W74 HydrophobicContact CD1-CZ2 4.34Å; I43-W74 HydrophobicContact CG2-CH2 4.35Å; W74-L82 HydrophobicContact CB-CD1 4.48Å; W74-L82 HydrophobicContact CD2-CD1 3.38Å; W74-L82 HydrophobicContact CE3-CD1 3.51Å; W74-L82 HydrophobicContact CG-CD1 3.84Å; W74-L82 HydrophobicContact CH2-CD1 4.26Å; W74-L82 HydrophobicContact CZ2-CD1 4.16Å; W74-L82 HydrophobicContact CZ3-CD1 3.95Å; W74-L96 HydrophobicContact CE3-CD1 4.23Å; W74-L96 HydrophobicContact CH2-CD1 4.04Å; W74-L96 HydrophobicContact CZ3-CD1 3.32Å |
| 75 | H | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -65.6 | 133.5 | 170.9 | -165.7 | -92.7 | 0 | 0 | 0 | 109.8 | T77 S78 I81 F117 G121 W314 | H75-T77 VanDerWaalsContact C-N 3.26Å; H75-T77 PolarHBondContact CE1-OG1 3.3Å; H75-T77 PolarHBondContact ND1-N 2.87Å; H75-T77 PolarHBondContact ND1-OG1 3.42Å; H75-T77 PolarHBondContact O-N 2.95Å; H75-S78 WeakPolarHBondContact ND1-CB 3.45Å; H75-S78 PolarHBondContact ND1-N 2.82Å; H75-S78 VanDerWaalsContact ND1-N 3.16Å; H75-I81 HydrophobicContact CB-CB 3.77Å; H75-I81 HydrophobicContact CB-CG2 3.92Å; H75-I81 WeakPolarHBondContact CB-O 3.2Å; H75-I81 PolarHBondContact N-O 2.98Å; H75-I81 VanDerWaalsContact N-O 3.14Å; H75-F117 AromaticContact CD2-CE1 3.99Å; H75-G121 WeakPolarHBondContact NE2-CA 3.25Å; H75-G121 PolarHBondContact NE2-O 2.99Å; H75-W314 AromaticContact CD2-CE2 3.85Å; H75-W314 AromaticContact CD2-CZ2 3.97Å; H75-W314 AromaticContact CD2-NE1 3.94Å; H75-W314 AromaticContact CE1-CD1 3.5Å; H75-W314 VanDerWaalsContact CE1-CD1 3.5Å; H75-W314 AromaticContact CE1-NE1 3.44Å; H75-W314 PolarHBondContact CE1-NE1 3.05Å; H75-W314 AromaticContact NE2-CD1 3.54Å; H75-W314 AromaticContact NE2-CE2 3.32Å; H75-W314 VanDerWaalsContact NE2-CE2 3.32Å; H75-W314 AromaticContact NE2-CZ2 3.77Å; H75-W314 AromaticContact NE2-NE1 2.97Å; H75-W314 PolarHBondContact NE2-NE1 3.37Å | ||
| 76 | P | 97.6 | Very high | 97.9 | Very high | 38 Ų | 38 | 23.2 Ų | 23.2 | 25% | 0.247 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -71 | -20.3 | -171.1 | 27.8 | -36.3 | 0 | 0 | 0 | 113.7 | F27 F117 | F27-P76 VanDerWaalsContact CZ-O 3.3Å; F27-P76 WeakPolarHBondContact CZ-O 3.36Å; P76-F117 HydrophobicContact CG-CB 3.96Å; P76-F117 HydrophobicContact CG-CG 4.29Å |
| 77 | T | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -126.6 | -4.3 | -173.5 | 60.5 | 0 | 0 | 0 | 0 | 114.1 | H75 D120 A308 L309 R320 P322 | H75-T77 VanDerWaalsContact C-N 3.26Å; H75-T77 PolarHBondContact CE1-OG1 3.3Å; H75-T77 PolarHBondContact ND1-N 2.87Å; H75-T77 PolarHBondContact ND1-OG1 3.42Å; H75-T77 PolarHBondContact O-N 2.95Å; T77-D120 PolarHBondContact OG1-O 2.83Å; T77-A308 PolarHBondContact O-N 3.22Å; T77-L309 PolarHBondContact O-N 3.41Å; T77-R320 WeakPolarHBondContact CG2-O 3.43Å; T77-P322 HydrophobicContact CG2-CB 4.31Å; T77-P322 HydrophobicContact CG2-CG 3.77Å |
| 78 | S | 97.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.085 | C | C | . | . | B | Isolated β-bridge | trans | -127.4 | 121.2 | -179 | -174.6 | 0 | 0 | 0 | 0 | 111.2 | F27 H75 G80 L309 S310 A311 | F27-S78 VanDerWaalsContact CE2-C 3.44Å; F27-S78 WeakPolarHBondContact CE2-O 3.24Å; H75-S78 WeakPolarHBondContact ND1-CB 3.45Å; H75-S78 PolarHBondContact ND1-N 2.82Å; H75-S78 VanDerWaalsContact ND1-N 3.16Å; S78-G80 VanDerWaalsContact C-N 3.3Å; S78-G80 PolarHBondContact O-N 2.99Å; S78-L309 VanDerWaalsContact CA-O 3.31Å; S78-L309 WeakPolarHBondContact CA-O 3.48Å; S78-L309 PolarHBondContact OG-O 3.18Å; S78-S310 PolarHBondContact OG-O 3.4Å; S78-A311 PolarHBondContact OG-N 2.83Å |
| 79 | S | 93.7 | Very high | 97.9 | Very high | 22 Ų | 22 | 15.4 Ų | 15.4 | 15% | 0.154 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -18.9 | -174.5 | 58.9 | 0 | 0 | 0 | 0 | 114.4 | F27 | F27-S79 VanDerWaalsContact CD2-CB 3.47Å; F27-S79 VanDerWaalsContact CE2-CA 3.5Å |
| 80 | G | 94.4 | Very high | 97.9 | Very high | 5 Ų | 5 | 17.7 Ų | 17.7 | 5% | 0.052 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 6.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | S78 L96 | S78-G80 VanDerWaalsContact C-N 3.3Å; S78-G80 PolarHBondContact O-N 2.99Å; G80-L96 WeakPolarHBondContact O-CG 3.26Å; G80-L96 PolarHBondContact O-N 2.77Å |
| 81 | I | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 130 | -176.2 | -58.6 | -66 | 0 | 0 | 0 | 111.3 | H75 F83 I93 W94 A311 W314 L315 | H75-I81 HydrophobicContact CB-CB 3.77Å; H75-I81 HydrophobicContact CB-CG2 3.92Å; H75-I81 WeakPolarHBondContact CB-O 3.2Å; H75-I81 PolarHBondContact N-O 2.98Å; H75-I81 VanDerWaalsContact N-O 3.14Å; I81-F83 HydrophobicContact CG2-CD2 3.99Å; I81-F83 HydrophobicContact CG2-CE2 3.59Å; I81-I93 HydrophobicContact CG2-CG2 3.83Å; I81-W94 WeakPolarHBondContact CA-O 3.15Å; I81-A311 HydrophobicContact CD1-CB 3.79Å; I81-A311 HydrophobicContact CG1-CB 4.05Å; I81-W314 HydrophobicContact CD1-CE3 3.89Å; I81-W314 HydrophobicContact CD1-CZ3 4.08Å; I81-W314 HydrophobicContact CG1-CD2 4.47Å; I81-W314 HydrophobicContact CG1-CE3 3.76Å; I81-W314 HydrophobicContact CG1-CZ3 4.2Å; I81-W314 HydrophobicContact CG2-CE3 4.17Å; I81-W314 HydrophobicContact CG2-CH2 4.26Å; I81-W314 HydrophobicContact CG2-CZ3 3.85Å; I81-L315 HydrophobicContact CD1-CD1 4.22Å; I81-L315 HydrophobicContact CD1-CD2 4.46Å; I81-L315 HydrophobicContact CD1-CG 4.2Å |
| 82 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 143.6 | 176.1 | -171.8 | 78.2 | 0 | 0 | 0 | 110.2 | A33 V41 I43 L62 I72 W74 W94 L96 | A33-L82 HydrophobicContact CB-CD1 4.41Å; A33-L82 HydrophobicContact CB-CD2 4.4Å; V41-L82 HydrophobicContact CG1-CD2 3.72Å; I43-L82 HydrophobicContact CD1-CD2 3.91Å; L62-L82 HydrophobicContact CD1-CD2 4.05Å; I72-L82 HydrophobicContact CG2-CD1 3.49Å; I72-L82 VanDerWaalsContact CG2-CD1 3.49Å; I72-L82 HydrophobicContact CG2-CD2 4.19Å; I72-L82 HydrophobicContact CG2-CG 3.99Å; W74-L82 HydrophobicContact CB-CD1 4.48Å; W74-L82 HydrophobicContact CD2-CD1 3.38Å; W74-L82 HydrophobicContact CE3-CD1 3.51Å; W74-L82 HydrophobicContact CG-CD1 3.84Å; W74-L82 HydrophobicContact CH2-CD1 4.26Å; W74-L82 HydrophobicContact CZ2-CD1 4.16Å; W74-L82 HydrophobicContact CZ3-CD1 3.95Å; L82-W94 HydrophobicContact CB-CB 4.29Å; L82-W94 PolarHBondContact N-O 3.47Å; L82-W94 PolarHBondContact O-N 3.46Å; L82-L96 HydrophobicContact CB-CD1 4.25Å; L82-L96 HydrophobicContact CB-CD2 3.99Å; L82-L96 HydrophobicContact CB-CG 4.33Å; L82-L96 HydrophobicContact CD2-CD2 4.43Å |
| 83 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 139.7 | 173.7 | -77.6 | -129.3 | 0 | 0 | 0 | 109.5 | I72 E73 I81 I91 L92 I93 M115 F117 L124 P138 W314 | I72-F83 CarbonylContact C-O 3.54Å; I72-F83 WeakPolarHBondContact CA-O 3.24Å; E73-F83 HydrophobicContact CB-CB 4.37Å; E73-F83 PolarHBondContact N-O 3.35Å; E73-F83 PolarHBondContact O-N 2.89Å; I81-F83 HydrophobicContact CG2-CD2 3.99Å; I81-F83 HydrophobicContact CG2-CE2 3.59Å; F83-I91 HydrophobicContact CB-CG2 4.43Å; F83-I91 HydrophobicContact CD1-CG2 3.76Å; F83-L92 WeakPolarHBondContact CA-O 3.22Å; F83-I93 HydrophobicContact CD1-CD1 4.39Å; F83-I93 HydrophobicContact CD1-CG1 3.96Å; F83-I93 HydrophobicContact CD2-CG1 4.35Å; F83-I93 HydrophobicContact CD2-CG2 4.03Å; F83-I93 HydrophobicContact CE1-CD1 3.52Å; F83-I93 HydrophobicContact CE1-CG1 3.58Å; F83-I93 HydrophobicContact CE2-CB 4.28Å; F83-I93 HydrophobicContact CE2-CD1 4.11Å; F83-I93 HydrophobicContact CE2-CG1 4.01Å; F83-I93 HydrophobicContact CE2-CG2 3.55Å; F83-I93 HydrophobicContact CG-CG1 4.35Å; F83-I93 HydrophobicContact CZ-CB 4.37Å; F83-I93 HydrophobicContact CZ-CD1 3.37Å; F83-I93 HydrophobicContact CZ-CG1 3.63Å; F83-I93 HydrophobicContact CZ-CG2 3.95Å; F83-M115 HydrophobicContact CB-CE 4.47Å; F83-F117 HydrophobicContact CB-CZ 4.47Å; F83-F117 AromaticContact CD1-CZ 3.84Å; F83-F117 HydrophobicContact CD1-CZ 3.84Å; F83-F117 HydrophobicContact CD2-CE2 4.17Å; F83-F117 AromaticContact CD2-CZ 3.53Å; F83-F117 HydrophobicContact CD2-CZ 3.53Å; F83-F117 HydrophobicContact CE1-CE1 4.18Å; F83-F117 AromaticContact CE1-CZ 3.79Å; F83-F117 HydrophobicContact CE1-CZ 3.79Å; F83-F117 HydrophobicContact CE2-CE1 4.15Å; F83-F117 HydrophobicContact CE2-CE2 4.49Å; F83-F117 AromaticContact CE2-CZ 3.49Å; F83-F117 HydrophobicContact CE2-CZ 3.49Å; F83-F117 VanDerWaalsContact CE2-CZ 3.49Å; F83-F117 HydrophobicContact CG-CE2 4.23Å; F83-F117 AromaticContact CG-CZ 3.7Å; F83-F117 HydrophobicContact CG-CZ 3.7Å; F83-F117 AromaticContact CZ-CE1 3.91Å; F83-F117 HydrophobicContact CZ-CE1 3.91Å; F83-F117 AromaticContact CZ-CZ 3.6Å; F83-F117 HydrophobicContact CZ-CZ 3.6Å; F83-L124 HydrophobicContact CD1-CD2 3.96Å; F83-L124 HydrophobicContact CE1-CD2 4.05Å; F83-P138 HydrophobicContact CE1-CB 3.58Å; F83-P138 HydrophobicContact CE1-CG 4.44Å; F83-P138 HydrophobicContact CZ-CB 3.61Å; F83-P138 HydrophobicContact CZ-CG 4.12Å; F83-W314 AromaticContact CE2-CH2 3.91Å; F83-W314 HydrophobicContact CE2-CH2 3.91Å; F83-W314 HydrophobicContact CE2-CZ2 4.37Å; F83-W314 AromaticContact CZ-CH2 3.76Å; F83-W314 HydrophobicContact CZ-CH2 3.76Å; F83-W314 HydrophobicContact CZ-CZ2 4.14Å |
| 84 | S | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 146.8 | 170 | 65.4 | 0 | 0 | 0 | 0 | 111.4 | H65 L71 I91 L92 W94 | H65-S84 PolarHBondContact CD2-OG 3.35Å; H65-S84 PolarHBondContact NE2-O 2.86Å; H65-S84 PolarHBondContact NE2-OG 3.25Å; L71-S84 WeakPolarHBondContact O-CA 3.45Å; S84-I91 CarbonylContact O-C 3.54Å; S84-I91 VanDerWaalsContact O-CA 3.25Å; S84-I91 WeakPolarHBondContact O-CA 3.38Å; S84-L92 PolarHBondContact N-O 2.91Å; S84-L92 PolarHBondContact O-N 3.32Å; S84-W94 PolarHBondContact OG-NE1 2.99Å |
| 85 | A | 98.9 | Very high | 97.8 | Very high | 3 Ų | 3 | 14.5 Ų | 14.5 | 3% | 0.025 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G70 L71 K90 I91 I112 M115 | G70-A85 PolarHBondContact N-O 3.49Å; L71-A85 HydrophobicContact CB-CB 4.18Å; L71-A85 HydrophobicContact CD1-CB 4.26Å; L71-A85 PolarHBondContact N-O 3.3Å; L71-A85 PolarHBondContact O-N 3.03Å; A85-K90 WeakPolarHBondContact CA-O 3.49Å; A85-I91 HydrophobicContact CB-CG1 4.19Å; A85-I112 HydrophobicContact CB-CB 4.21Å; A85-I112 HydrophobicContact CB-CD1 3.86Å; A85-I112 HydrophobicContact CB-CG2 4.26Å; A85-M115 HydrophobicContact CB-CE 3.94Å; A85-M115 HydrophobicContact CB-SD 3.81Å |
| 86 | G | 97.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 2% | 0.021 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 166.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | H65 R68 D88 Y89 K90 | H65-G86 PolarHBondContact CE1-N 3.47Å; H65-G86 VanDerWaalsContact CE1-N 3.26Å; R68-G86 WeakPolarHBondContact O-CA 3.23Å; G86-D88 VanDerWaalsContact CA-OD1 3.3Å; G86-D88 WeakPolarHBondContact CA-OD1 3.42Å; G86-D88 PolarHBondContact O-N 2.88Å; G86-Y89 PolarHBondContact O-N 3.38Å; G86-K90 PolarHBondContact N-O 3.03Å; G86-K90 VanDerWaalsContact N-O 3.14Å |
| 87 | Y | 98.2 | Very high | 97.3 | Very high | 79 Ų | 79 | 17.8 Ų | 17.8 | 31% | 0.31 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 5.7 | 169.8 | -86.3 | -121.5 | 0 | 0 | 0 | 112.9 | R67 R68 Y89 V111 | R67-Y87 VanDerWaalsContact CD-C 3.46Å; R67-Y87 WeakPolarHBondContact CD-O 3.38Å; R67-Y87 PolarHBondContact NH1-O 3.47Å; R67-Y87 VanDerWaalsContact NH1-O 3.13Å; R68-Y87 HydrophobicContact CG-CD1 4.11Å; R68-Y87 HydrophobicContact CG-CD2 3.6Å; R68-Y87 HydrophobicContact CG-CE2 4.2Å; R68-Y87 HydrophobicContact CG-CG 3.54Å; R68-Y87 VanDerWaalsContact NE-CD1 3.32Å; R68-Y87 VanDerWaalsContact NE-CE1 3.35Å; R68-Y87 PolarHBondContact O-N 3.48Å; Y87-Y89 WeakPolarHBondContact O-CD1 3.37Å; Y87-Y89 VanDerWaalsContact O-CE1 3.24Å; Y87-Y89 WeakPolarHBondContact O-CE1 3.2Å; Y87-V111 HydrophobicContact CD1-CG2 3.95Å; Y87-V111 HydrophobicContact CE1-CG1 4.26Å; Y87-V111 HydrophobicContact CE1-CG2 3.99Å; Y87-V111 HydrophobicContact CE2-CG1 4.12Å; Y87-V111 HydrophobicContact CG-CG2 4.47Å |
| 88 | D | 97.2 | Very high | 96.9 | Very high | 18 Ų | 18 | 21.1 Ų | 21.1 | 10% | 0.096 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 6.3 | 162.2 | 57.9 | 5.8 | 0 | 0 | 0 | 112.6 | H65 S66 R67 G86 K90 | H65-D88 VanDerWaalsContact CA-OD2 3.27Å; H65-D88 WeakPolarHBondContact CA-OD2 3.43Å; H65-D88 IonicContact CE1-OD1 3.26Å; H65-D88 IonicContact CG-OD2 3.07Å; H65-D88 IonicContact ND1-OD1 2.71Å; H65-D88 PolarHBondContact ND1-OD1 2.95Å; H65-D88 IonicContact ND1-OD2 2.72Å; H65-D88 PolarHBondContact ND1-OD2 2.97Å; S66-D88 PolarHBondContact N-OD2 3.41Å; S66-D88 WeakPolarHBondContact OG-CB 3.35Å; S66-D88 PolarHBondContact OG-OD2 3.09Å; R67-D88 HydrophobicContact CB-CB 4.23Å; R67-D88 HydrophobicContact CG-CB 4.33Å; G86-D88 VanDerWaalsContact CA-OD1 3.3Å; G86-D88 WeakPolarHBondContact CA-OD1 3.42Å; G86-D88 PolarHBondContact O-N 2.88Å; D88-K90 PolarHBondContact O-N 3.32Å; D88-K90 PolarHBondContact OD1-N 3.31Å |
| 89 | Y | 98.4 | Very high | 96.6 | Very high | 66 Ų | 66 | 22 Ų | 22 | 26% | 0.259 | 11% | 0.112 | S | C | . | . | S | Bend | trans | 67.8 | 12.9 | 172.9 | -43.4 | -28.6 | 0 | 0 | 0 | 113.9 | G86 Y87 D110 V111 | G86-Y89 PolarHBondContact O-N 3.38Å; Y87-Y89 WeakPolarHBondContact O-CD1 3.37Å; Y87-Y89 VanDerWaalsContact O-CE1 3.24Å; Y87-Y89 WeakPolarHBondContact O-CE1 3.2Å; Y89-D110 WeakPolarHBondContact CB-O 3.49Å; Y89-D110 VanDerWaalsContact CD1-O 3.32Å; Y89-D110 WeakPolarHBondContact CD1-O 3.47Å; Y89-D110 VanDerWaalsContact CG-C 3.48Å; Y89-V111 HydrophobicContact CD1-CG2 4.29Å; Y89-V111 HydrophobicContact CE1-CB 4.39Å; Y89-V111 HydrophobicContact CE1-CG2 3.64Å |
| 90 | K | 98 | Very high | 96.3 | Very high | 49 Ų | 49 | 27 Ų | 27 | 21% | 0.213 | 13% | 0.134 | C | C | . | . | trans | -99.7 | 152.5 | 179.6 | -68.1 | 163.2 | -177.6 | -105.2 | 0 | 110.1 | H65 A85 G86 D88 M104 I105 D106 | H65-K90 PolarHBondContact CE1-O 3.27Å; A85-K90 WeakPolarHBondContact CA-O 3.49Å; G86-K90 PolarHBondContact N-O 3.03Å; G86-K90 VanDerWaalsContact N-O 3.14Å; D88-K90 PolarHBondContact O-N 3.32Å; D88-K90 PolarHBondContact OD1-N 3.31Å; K90-M104 HydrophobicContact CB-CG 4.34Å; K90-M104 HydrophobicContact CD-CE 4.26Å; K90-M104 HydrophobicContact CD-CG 4.38Å; K90-M104 HydrophobicContact CD-SD 3.72Å; K90-M104 HydrophobicContact CG-CG 4.34Å; K90-M104 HydrophobicContact CG-SD 4.24Å; K90-M104 PolarHBondContact NZ-SD 2.94Å; K90-I105 WeakPolarHBondContact CA-O 3.35Å; K90-D106 WeakPolarHBondContact CE-OD2 3.16Å; K90-D106 HydrophobicContact CG-CB 4.43Å; K90-D106 IonicContact NZ-OD1 3.58Å; K90-D106 IonicContact NZ-OD2 3.02Å; K90-D106 PolarHBondContact NZ-OD2 3.4Å | ||
| 91 | I | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128.3 | 162.6 | -52.9 | 173.4 | 0 | 0 | 0 | 107.4 | F83 S84 A85 M104 I105 I112 M115 L124 T126 | F83-I91 HydrophobicContact CB-CG2 4.43Å; F83-I91 HydrophobicContact CD1-CG2 3.76Å; S84-I91 CarbonylContact O-C 3.54Å; S84-I91 VanDerWaalsContact O-CA 3.25Å; S84-I91 WeakPolarHBondContact O-CA 3.38Å; A85-I91 HydrophobicContact CB-CG1 4.19Å; I91-M104 WeakPolarHBondContact O-CA 3.23Å; I91-I105 HydrophobicContact CB-CB 4.11Å; I91-I105 HydrophobicContact CB-CD1 4.43Å; I91-I105 PolarHBondContact N-O 3.08Å; I91-I105 PolarHBondContact O-N 2.96Å; I91-I112 HydrophobicContact CD1-CD1 4.06Å; I91-I112 HydrophobicContact CG1-CD1 3.5Å; I91-I112 VanDerWaalsContact CG1-CD1 3.5Å; I91-M115 HydrophobicContact CD1-SD 3.98Å; I91-M115 HydrophobicContact CG1-SD 4.16Å; I91-M115 HydrophobicContact CG2-SD 4.02Å; I91-L124 HydrophobicContact CD1-CD2 3.83Å; I91-T126 HydrophobicContact CD1-CG2 3.88Å |
| 92 | L | 98.7 | Very high | 96.2 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 134.2 | 171.8 | -63.7 | -177.5 | 0 | 0 | 0 | 109.5 | F83 S84 W94 M104 | F83-L92 WeakPolarHBondContact CA-O 3.22Å; S84-L92 PolarHBondContact N-O 2.91Å; S84-L92 PolarHBondContact O-N 3.32Å; L92-W94 HydrophobicContact CB-CZ2 3.87Å; L92-W94 HydrophobicContact CD1-CH2 3.85Å; L92-W94 HydrophobicContact CD1-CZ2 3.47Å; L92-W94 VanDerWaalsContact CD1-CZ2 3.47Å; L92-W94 HydrophobicContact CG-CZ2 4.32Å; L92-M104 HydrophobicContact CD2-CB 3.9Å; L92-M104 HydrophobicContact CD2-CE 3.87Å; L92-M104 HydrophobicContact CD2-CG 3.85Å |
| 93 | I | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 119.8 | 172 | -49.4 | -175.3 | 0 | 0 | 0 | 106.9 | I81 F83 P101 V102 K103 I105 P138 W314 | I81-I93 HydrophobicContact CG2-CG2 3.83Å; F83-I93 HydrophobicContact CD1-CD1 4.39Å; F83-I93 HydrophobicContact CD1-CG1 3.96Å; F83-I93 HydrophobicContact CD2-CG1 4.35Å; F83-I93 HydrophobicContact CD2-CG2 4.03Å; F83-I93 HydrophobicContact CE1-CD1 3.52Å; F83-I93 HydrophobicContact CE1-CG1 3.58Å; F83-I93 HydrophobicContact CE2-CB 4.28Å; F83-I93 HydrophobicContact CE2-CD1 4.11Å; F83-I93 HydrophobicContact CE2-CG1 4.01Å; F83-I93 HydrophobicContact CE2-CG2 3.55Å; F83-I93 HydrophobicContact CG-CG1 4.35Å; F83-I93 HydrophobicContact CZ-CB 4.37Å; F83-I93 HydrophobicContact CZ-CD1 3.37Å; F83-I93 HydrophobicContact CZ-CG1 3.63Å; F83-I93 HydrophobicContact CZ-CG2 3.95Å; I93-P101 CarbonylContact O-C 3.52Å; I93-P101 WeakPolarHBondContact O-CA 3.46Å; I93-V102 HydrophobicContact CB-CG2 4.23Å; I93-V102 HydrophobicContact CG2-CG2 3.96Å; I93-V102 WeakPolarHBondContact O-CG2 3.39Å; I93-V102 PolarHBondContact O-N 3.07Å; I93-K103 HydrophobicContact CB-CB 3.98Å; I93-K103 HydrophobicContact CD1-CB 3.76Å; I93-K103 HydrophobicContact CD1-CG 3.93Å; I93-K103 HydrophobicContact CG1-CB 3.97Å; I93-K103 HydrophobicContact CG1-CG 4.49Å; I93-K103 PolarHBondContact N-O 3.29Å; I93-K103 PolarHBondContact O-N 3.26Å; I93-I105 HydrophobicContact CD1-CD1 4.37Å; I93-P138 HydrophobicContact CD1-CB 3.98Å; I93-P138 WeakPolarHBondContact CD1-O 3.29Å; I93-W314 HydrophobicContact CD1-CH2 4.2Å; I93-W314 HydrophobicContact CG2-CH2 4.06Å; I93-W314 HydrophobicContact CG2-CZ3 3.94Å |
| 94 | W | 98.3 | Very high | 96 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 132.9 | -176.8 | -54.9 | 93 | 0 | 0 | 0 | 110.2 | L62 Y63 I81 L82 S84 L92 L96 P101 | L62-W94 HydrophobicContact CB-CD2 4.06Å; L62-W94 HydrophobicContact CB-CE3 3.86Å; L62-W94 HydrophobicContact CB-CH2 3.98Å; L62-W94 HydrophobicContact CB-CZ2 4.17Å; L62-W94 HydrophobicContact CB-CZ3 3.81Å; L62-W94 HydrophobicContact CD1-CB 4.09Å; L62-W94 HydrophobicContact CD1-CD2 3.87Å; L62-W94 HydrophobicContact CD1-CE3 4.2Å; L62-W94 HydrophobicContact CD1-CG 3.8Å; L62-W94 HydrophobicContact CD2-CD2 4.37Å; L62-W94 HydrophobicContact CD2-CE3 3.86Å; L62-W94 HydrophobicContact CD2-CZ3 4.35Å; L62-W94 HydrophobicContact CG-CD2 4.33Å; L62-W94 HydrophobicContact CG-CE3 4.19Å; Y63-W94 WeakPolarHBondContact O-CH2 3.47Å; I81-W94 WeakPolarHBondContact CA-O 3.15Å; L82-W94 HydrophobicContact CB-CB 4.29Å; L82-W94 PolarHBondContact N-O 3.47Å; L82-W94 PolarHBondContact O-N 3.46Å; S84-W94 PolarHBondContact OG-NE1 2.99Å; L92-W94 HydrophobicContact CB-CZ2 3.87Å; L92-W94 HydrophobicContact CD1-CH2 3.85Å; L92-W94 HydrophobicContact CD1-CZ2 3.47Å; L92-W94 VanDerWaalsContact CD1-CZ2 3.47Å; L92-W94 HydrophobicContact CG-CZ2 4.32Å; W94-L96 HydrophobicContact CB-CD2 4.2Å; W94-P101 HydrophobicContact CD2-CB 4.49Å; W94-P101 HydrophobicContact CE3-CB 3.98Å; W94-P101 HydrophobicContact CE3-CG 4.44Å; W94-P101 HydrophobicContact CH2-CB 4.35Å; W94-P101 HydrophobicContact CH2-CG 4.49Å; W94-P101 HydrophobicContact CZ3-CB 3.91Å; W94-P101 HydrophobicContact CZ3-CG 3.98Å |
| 95 | N | 96 | Very high | 95.9 | Very high | 14 Ų | 14 | 40.5 Ų | 40.5 | 8% | 0.075 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 114.6 | 160.2 | -178.7 | -16.4 | 0 | 0 | 0 | 108 | E97 T98 G99 E100 V102 | N95-E97 VanDerWaalsContact C-N 3.28Å; N95-E97 PolarHBondContact O-N 2.92Å; N95-E97 VanDerWaalsContact OD1-CB 3.27Å; N95-E97 WeakPolarHBondContact OD1-CB 3.49Å; N95-E97 PolarHBondContact OD1-N 3.35Å; N95-T98 PolarHBondContact O-N 2.93Å; N95-T98 PolarHBondContact O-OG1 2.76Å; N95-G99 WeakPolarHBondContact O-CA 3.32Å; N95-G99 PolarHBondContact O-N 3.48Å; N95-E100 PolarHBondContact N-O 3.11Å; N95-E100 PolarHBondContact O-N 3.2Å; N95-V102 HydrophobicContact CB-CG1 3.51Å; N95-V102 HydrophobicContact CB-CG2 4.37Å |
| 96 | L | 95.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -16 | -176.6 | -57.1 | -179.7 | 0 | 0 | 0 | 113.2 | I43 L60 L62 W74 G80 L82 W94 F339 P342 | I43-L96 HydrophobicContact CD1-CD2 4.5Å; L60-L96 HydrophobicContact CD2-CB 4.35Å; L60-L96 HydrophobicContact CD2-CD2 4.05Å; L62-L96 HydrophobicContact CD1-CD2 3.87Å; W74-L96 HydrophobicContact CE3-CD1 4.23Å; W74-L96 HydrophobicContact CH2-CD1 4.04Å; W74-L96 HydrophobicContact CZ3-CD1 3.32Å; G80-L96 WeakPolarHBondContact O-CG 3.26Å; G80-L96 PolarHBondContact O-N 2.77Å; L82-L96 HydrophobicContact CB-CD1 4.25Å; L82-L96 HydrophobicContact CB-CD2 3.99Å; L82-L96 HydrophobicContact CB-CG 4.33Å; L82-L96 HydrophobicContact CD2-CD2 4.43Å; W94-L96 HydrophobicContact CB-CD2 4.2Å; L96-F339 HydrophobicContact CB-CE2 4.3Å; L96-F339 HydrophobicContact CB-CZ 4.46Å; L96-F339 HydrophobicContact CD1-CE2 4.22Å; L96-P342 VanDerWaalsContact O-CD 3.22Å; L96-P342 WeakPolarHBondContact O-CD 3.29Å; L96-P342 VanDerWaalsContact O-CG 3.24Å; L96-P342 WeakPolarHBondContact O-CG 3.41Å |
| 97 | E | 92.1 | Very high | 95.7 | Very high | 104 Ų | 104 | 46.5 Ų | 46.5 | 49% | 0.486 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -30.2 | 174.1 | -57.5 | 172.6 | 179.3 | 0 | 0 | 111.4 | N95 P342 | N95-E97 VanDerWaalsContact C-N 3.28Å; N95-E97 PolarHBondContact O-N 2.92Å; N95-E97 VanDerWaalsContact OD1-CB 3.27Å; N95-E97 WeakPolarHBondContact OD1-CB 3.49Å; N95-E97 PolarHBondContact OD1-N 3.35Å; E97-P342 WeakPolarHBondContact O-CB 3.15Å; E97-P342 WeakPolarHBondContact O-CG 3.27Å |
| 98 | T | 89.6 | Confident | 95.7 | Very high | 70 Ų | 70 | 43 Ų | 43 | 43% | 0.429 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -24.9 | 176.7 | 65 | 0 | 0 | 0 | 0 | 112.9 | N95 E100 | N95-T98 PolarHBondContact O-N 2.93Å; N95-T98 PolarHBondContact O-OG1 2.76Å; T98-E100 VanDerWaalsContact C-N 3.28Å; T98-E100 PolarHBondContact OG1-N 3.33Å |
| 99 | G | 90.2 | Very high | 95.7 | Very high | 18 Ų | 18 | 47.1 Ų | 47.1 | 19% | 0.186 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | 15.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L62 N95 | L62-G99 WeakPolarHBondContact CD2-O 3.26Å; N95-G99 WeakPolarHBondContact O-CA 3.32Å; N95-G99 PolarHBondContact O-N 3.48Å |
| 100 | E | 87.9 | Confident | 95.7 | Very high | 129 Ų | 129 | 45.8 Ų | 45.8 | 60% | 0.603 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 151.1 | -173.9 | -65.2 | -172.6 | 159 | 0 | 0 | 112.2 | N95 T98 V102 | N95-E100 PolarHBondContact N-O 3.11Å; N95-E100 PolarHBondContact O-N 3.2Å; T98-E100 VanDerWaalsContact C-N 3.28Å; T98-E100 PolarHBondContact OG1-N 3.33Å; E100-V102 PolarHBondContact O-N 3.02Å |
| 101 | P | 94.4 | Very high | 95.7 | Very high | 62 Ų | 62 | 44.1 Ų | 44.1 | 40% | 0.403 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 120.2 | 171.2 | 30.6 | -29.9 | 0 | 0 | 0 | 109.5 | I93 W94 | I93-P101 CarbonylContact O-C 3.52Å; I93-P101 WeakPolarHBondContact O-CA 3.46Å; W94-P101 HydrophobicContact CD2-CB 4.49Å; W94-P101 HydrophobicContact CE3-CB 3.98Å; W94-P101 HydrophobicContact CE3-CG 4.44Å; W94-P101 HydrophobicContact CH2-CB 4.35Å; W94-P101 HydrophobicContact CH2-CG 4.49Å; W94-P101 HydrophobicContact CZ3-CB 3.91Å; W94-P101 HydrophobicContact CZ3-CG 3.98Å |
| 102 | V | 95.4 | Very high | 95.7 | Very high | 62 Ų | 62 | 44.6 Ų | 44.6 | 38% | 0.376 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -18.2 | 179.4 | -69 | 0 | 0 | 0 | 0 | 112.9 | I93 N95 E100 L315 | I93-V102 HydrophobicContact CB-CG2 4.23Å; I93-V102 HydrophobicContact CG2-CG2 3.96Å; I93-V102 WeakPolarHBondContact O-CG2 3.39Å; I93-V102 PolarHBondContact O-N 3.07Å; N95-V102 HydrophobicContact CB-CG1 3.51Å; N95-V102 HydrophobicContact CB-CG2 4.37Å; E100-V102 PolarHBondContact O-N 3.02Å; V102-L315 HydrophobicContact CB-CD2 4.37Å; V102-L315 HydrophobicContact CG1-CD1 4.39Å; V102-L315 HydrophobicContact CG2-CD1 4.35Å; V102-L315 HydrophobicContact CG2-CD2 3.78Å |
| 103 | K | 95 | Very high | 95.6 | Very high | 72 Ų | 72 | 46.7 Ų | 46.7 | 31% | 0.313 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 149.7 | 177.2 | -172.1 | 70.2 | 178.1 | -155 | 0 | 111.2 | I93 R139 S140 | I93-K103 HydrophobicContact CB-CB 3.98Å; I93-K103 HydrophobicContact CD1-CB 3.76Å; I93-K103 HydrophobicContact CD1-CG 3.93Å; I93-K103 HydrophobicContact CG1-CB 3.97Å; I93-K103 HydrophobicContact CG1-CG 4.49Å; I93-K103 PolarHBondContact N-O 3.29Å; I93-K103 PolarHBondContact O-N 3.26Å; K103-R139 WeakPolarHBondContact CD-O 3.48Å; K103-R139 WeakPolarHBondContact CE-O 3.45Å; K103-R139 PolarHBondContact NZ-O 2.84Å; K103-S140 WeakPolarHBondContact CE-O 3.41Å; K103-S140 VanDerWaalsContact NZ-C 3.35Å; K103-S140 PolarHBondContact NZ-O 2.98Å |
| 104 | M | 97.6 | Very high | 95.6 | Very high | 90 Ų | 90 | 47 Ų | 47 | 44% | 0.443 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132.6 | 170.6 | -178.6 | -173 | -65.5 | 0 | 0 | 109.3 | K90 I91 L92 | K90-M104 HydrophobicContact CB-CG 4.34Å; K90-M104 HydrophobicContact CD-CE 4.26Å; K90-M104 HydrophobicContact CD-CG 4.38Å; K90-M104 HydrophobicContact CD-SD 3.72Å; K90-M104 HydrophobicContact CG-CG 4.34Å; K90-M104 HydrophobicContact CG-SD 4.24Å; K90-M104 PolarHBondContact NZ-SD 2.94Å; I91-M104 WeakPolarHBondContact O-CA 3.23Å; L92-M104 HydrophobicContact CD2-CB 3.9Å; L92-M104 HydrophobicContact CD2-CE 3.87Å; L92-M104 HydrophobicContact CD2-CG 3.85Å |
| 105 | I | 97.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 118.9 | 170.5 | -53.2 | 171.2 | 0 | 0 | 0 | 107.1 | K90 I91 I93 C107 I136 P138 | K90-I105 WeakPolarHBondContact CA-O 3.35Å; I91-I105 HydrophobicContact CB-CB 4.11Å; I91-I105 HydrophobicContact CB-CD1 4.43Å; I91-I105 PolarHBondContact N-O 3.08Å; I91-I105 PolarHBondContact O-N 2.96Å; I93-I105 HydrophobicContact CD1-CD1 4.37Å; I105-C107 HydrophobicContact CG2-CB 4.48Å; I105-I136 HydrophobicContact CD1-CG2 4.2Å; I105-I136 HydrophobicContact CG2-CD1 4.37Å; I105-I136 HydrophobicContact CG2-CG2 4.42Å; I105-P138 HydrophobicContact CD1-CB 4.18Å |
| 106 | D | 96.7 | Very high | 95.8 | Very high | 95 Ų | 95 | 47.3 Ų | 47.3 | 51% | 0.508 | 26% | 0.26 | S | S | . | . | trans | -126.9 | 47 | -172.4 | -160.3 | 8.7 | 0 | 0 | 0 | 110.6 | K90 | K90-D106 WeakPolarHBondContact CE-OD2 3.16Å; K90-D106 HydrophobicContact CG-CB 4.43Å; K90-D106 IonicContact NZ-OD1 3.58Å; K90-D106 IonicContact NZ-OD2 3.02Å; K90-D106 PolarHBondContact NZ-OD2 3.4Å | ||
| 107 | C | 96.2 | Very high | 96 | Very high | 36 Ų | 36 | 48.2 Ų | 48.2 | 24% | 0.243 | 27% | 0.265 | C | S | . | . | trans | -102.2 | -4.2 | -177.8 | 72 | 0 | 0 | 0 | 0 | 113.9 | I105 R134 V143 | I105-C107 HydrophobicContact CG2-CB 4.48Å; C107-R134 PolarHBondContact O-NH2 3.49Å; C107-V143 HydrophobicContact CB-CG2 3.8Å | ||
| 108 | H | 98 | Very high | 96.2 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | trans | -98.9 | 140 | -177.8 | -56.2 | 83 | 0 | 0 | 0 | 110.1 | I112 T126 | H108-I112 HydrophobicContact CB-CD1 4.34Å; H108-I112 HydrophobicContact CB-CG1 4.06Å; H108-T126 PolarHBondContact NE2-OG1 3.19Å | ||
| 109 | T | 97.1 | Very high | 96.6 | Very high | 104 Ų | 104 | 42.4 Ų | 42.4 | 64% | 0.638 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -108.4 | 4.6 | -177.3 | 58.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 110 | D | 98 | Very high | 96.9 | Very high | 38 Ų | 38 | 42.9 Ų | 42.9 | 20% | 0.203 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -155.4 | -177.6 | 178.5 | -154.7 | -21.6 | 0 | 0 | 0 | 109.3 | Y89 I112 C128 K129 D130 | Y89-D110 WeakPolarHBondContact CB-O 3.49Å; Y89-D110 VanDerWaalsContact CD1-O 3.32Å; Y89-D110 WeakPolarHBondContact CD1-O 3.47Å; Y89-D110 VanDerWaalsContact CG-C 3.48Å; D110-I112 PolarHBondContact O-N 2.86Å; D110-C128 VanDerWaalsContact C-SG 3.57Å; D110-C128 PolarHBondContact O-SG 3.14Å; D110-K129 HydrophobicContact CB-CB 4.07Å; D110-K129 WeakPolarHBondContact OD2-CG 3.46Å; D110-D130 HydrophobicContact CB-CB 4.03Å |
| 111 | V | 98.1 | Very high | 97.4 | Very high | 14 Ų | 14 | 36.7 Ų | 36.7 | 9% | 0.085 | 21% | 0.205 | C | C | . | . | trans | -57.8 | 125.2 | -177.2 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | Y87 Y89 L113 C128 K129 | Y87-V111 HydrophobicContact CD1-CG2 3.95Å; Y87-V111 HydrophobicContact CE1-CG1 4.26Å; Y87-V111 HydrophobicContact CE1-CG2 3.99Å; Y87-V111 HydrophobicContact CE2-CG1 4.12Å; Y87-V111 HydrophobicContact CG-CG2 4.47Å; Y89-V111 HydrophobicContact CD1-CG2 4.29Å; Y89-V111 HydrophobicContact CE1-CB 4.39Å; Y89-V111 HydrophobicContact CE1-CG2 3.64Å; V111-L113 HydrophobicContact CG1-CD2 4.16Å; V111-C128 WeakPolarHBondContact O-CA 3.28Å; V111-C128 PolarHBondContact O-SG 2.81Å; V111-C128 VanDerWaalsContact O-SG 3.41Å; V111-K129 HydrophobicContact CB-CB 4.28Å; V111-K129 HydrophobicContact CB-CD 4.47Å; V111-K129 WeakPolarHBondContact O-CB 3.37Å; V111-K129 PolarHBondContact O-N 3.27Å | ||
| 112 | I | 98.8 | Very high | 97.6 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 5% | 0.046 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 127.7 | 169.7 | -58 | 159.6 | 0 | 0 | 0 | 108.1 | L71 A85 I91 H108 D110 M115 | L71-I112 HydrophobicContact CD1-CB 4.43Å; L71-I112 HydrophobicContact CD1-CG2 3.88Å; A85-I112 HydrophobicContact CB-CB 4.21Å; A85-I112 HydrophobicContact CB-CD1 3.86Å; A85-I112 HydrophobicContact CB-CG2 4.26Å; I91-I112 HydrophobicContact CD1-CD1 4.06Å; I91-I112 HydrophobicContact CG1-CD1 3.5Å; I91-I112 VanDerWaalsContact CG1-CD1 3.5Å; H108-I112 HydrophobicContact CB-CD1 4.34Å; H108-I112 HydrophobicContact CB-CG1 4.06Å; D110-I112 PolarHBondContact O-N 2.86Å; I112-M115 HydrophobicContact CG2-CG 4.13Å |
| 113 | L | 98.3 | Very high | 97.7 | Very high | 49 Ų | 49 | 32.7 Ų | 32.7 | 26% | 0.257 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -26.6 | -172 | -57.2 | 172.1 | 0 | 0 | 0 | 112.9 | V111 S127 K129 N156 | V111-L113 HydrophobicContact CG1-CD2 4.16Å; L113-S127 PolarHBondContact N-O 3.43Å; L113-K129 HydrophobicContact CD1-CB 4.34Å; L113-K129 HydrophobicContact CD2-CB 4.45Å; L113-K129 HydrophobicContact CG-CB 4.49Å; L113-N156 WeakPolarHBondContact CB-O 3.25Å |
| 114 | S | 98.6 | Very high | 97.9 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 6% | 0.056 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 146.6 | -179.3 | -159.6 | 0 | 0 | 0 | 0 | 110.3 | T126 S127 V158 | S114-T126 WeakPolarHBondContact O-CA 3.27Å; S114-S127 WeakPolarHBondContact CB-OG 3.32Å; S114-S127 PolarHBondContact N-O 3.44Å; S114-S127 PolarHBondContact N-OG 2.91Å; S114-S127 PolarHBondContact O-N 3.49Å; S114-V158 PolarHBondContact OG-N 3.42Å; S114-V158 PolarHBondContact OG-O 3.23Å |
| 115 | M | 98.8 | Very high | 98 | Very high | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.03 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 145.1 | 169.7 | -66.2 | -166.7 | -62.6 | 0 | 0 | 108 | L71 E73 F83 A85 I91 I112 L124 A125 T126 | L71-M115 HydrophobicContact CB-CE 3.79Å; L71-M115 HydrophobicContact CD1-CG 4.24Å; E73-M115 HydrophobicContact CB-CE 4.38Å; E73-M115 HydrophobicContact CG-CB 3.71Å; E73-M115 HydrophobicContact CG-CE 4.04Å; F83-M115 HydrophobicContact CB-CE 4.47Å; A85-M115 HydrophobicContact CB-CE 3.94Å; A85-M115 HydrophobicContact CB-SD 3.81Å; I91-M115 HydrophobicContact CD1-SD 3.98Å; I91-M115 HydrophobicContact CG1-SD 4.16Å; I91-M115 HydrophobicContact CG2-SD 4.02Å; I112-M115 HydrophobicContact CG2-CG 4.13Å; M115-L124 HydrophobicContact CB-CD1 4.25Å; M115-L124 HydrophobicContact SD-CD2 4.43Å; M115-A125 CarbonylContact C-O 3.57Å; M115-A125 WeakPolarHBondContact CA-O 3.46Å; M115-T126 HydrophobicContact CG-CG2 4.24Å |
| 116 | S | 98.6 | Very high | 98 | Very high | 16 Ų | 16 | 24.9 Ų | 24.9 | 11% | 0.112 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 132 | 173.2 | 172.5 | 0 | 0 | 0 | 0 | 109.6 | A125 V158 V159 F160 | S116-A125 PolarHBondContact N-O 2.57Å; S116-A125 PolarHBondContact O-N 3Å; S116-V158 WeakPolarHBondContact CB-O 3.37Å; S116-V159 WeakPolarHBondContact OG-CA 3.45Å; S116-F160 VanDerWaalsContact O-CD2 3.32Å; S116-F160 WeakPolarHBondContact O-CD2 3.45Å; S116-F160 VanDerWaalsContact O-CE2 3.29Å; S116-F160 WeakPolarHBondContact O-CE2 3.48Å; S116-F160 PolarHBondContact OG-N 2.73Å |
| 117 | F | 98.5 | Very high | 98.1 | Very high | 23 Ų | 23 | 20.3 Ų | 20.3 | 10% | 0.101 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 149 | 171.8 | -78.5 | -72.8 | 0 | 0 | 0 | 111.5 | E73 H75 P76 F83 L123 L124 F160 | E73-F117 HydrophobicContact CB-CD2 4.14Å; E73-F117 HydrophobicContact CB-CE2 3.79Å; H75-F117 AromaticContact CD2-CE1 3.99Å; P76-F117 HydrophobicContact CG-CB 3.96Å; P76-F117 HydrophobicContact CG-CG 4.29Å; F83-F117 HydrophobicContact CB-CZ 4.47Å; F83-F117 AromaticContact CD1-CZ 3.84Å; F83-F117 HydrophobicContact CD1-CZ 3.84Å; F83-F117 HydrophobicContact CD2-CE2 4.17Å; F83-F117 AromaticContact CD2-CZ 3.53Å; F83-F117 HydrophobicContact CD2-CZ 3.53Å; F83-F117 HydrophobicContact CE1-CE1 4.18Å; F83-F117 AromaticContact CE1-CZ 3.79Å; F83-F117 HydrophobicContact CE1-CZ 3.79Å; F83-F117 HydrophobicContact CE2-CE1 4.15Å; F83-F117 HydrophobicContact CE2-CE2 4.49Å; F83-F117 AromaticContact CE2-CZ 3.49Å; F83-F117 HydrophobicContact CE2-CZ 3.49Å; F83-F117 VanDerWaalsContact CE2-CZ 3.49Å; F83-F117 HydrophobicContact CG-CE2 4.23Å; F83-F117 AromaticContact CG-CZ 3.7Å; F83-F117 HydrophobicContact CG-CZ 3.7Å; F83-F117 AromaticContact CZ-CE1 3.91Å; F83-F117 HydrophobicContact CZ-CE1 3.91Å; F83-F117 AromaticContact CZ-CZ 3.6Å; F83-F117 HydrophobicContact CZ-CZ 3.6Å; F117-L123 WeakPolarHBondContact CD1-O 3.4Å; F117-L124 HydrophobicContact CD1-CD1 4.01Å; F117-L124 HydrophobicContact CD2-CD1 4.25Å; F117-L124 HydrophobicContact CE1-CB 4.42Å; F117-L124 HydrophobicContact CE1-CD1 3.87Å; F117-L124 HydrophobicContact CE2-CD1 4.11Å; F117-L124 HydrophobicContact CG-CD1 4.2Å; F117-L124 HydrophobicContact CZ-CD1 3.89Å; F117-F160 WeakPolarHBondContact O-CB 3.46Å; F117-F160 WeakPolarHBondContact O-CD2 3.36Å |
| 118 | N | 98.1 | Very high | 98.1 | Very high | 17 Ų | 17 | 18.7 Ų | 18.7 | 9% | 0.091 | 11% | 0.107 | C | C | . | . | trans | -72.2 | 175.1 | 158.1 | 69.5 | -27.2 | 0 | 0 | 0 | 110.2 | D120 G121 S122 L123 F160 | N118-D120 PolarHBondContact ND2-OD1 3.33Å; N118-D120 PolarHBondContact O-N 2.84Å; N118-D120 PolarHBondContact OD1-OD1 3.42Å; N118-D120 VanDerWaalsContact OD1-OD1 3.11Å; N118-G121 PolarHBondContact O-N 2.79Å; N118-G121 WeakPolarHBondContact OD1-CA 3.32Å; N118-G121 PolarHBondContact OD1-N 3.5Å; N118-S122 PolarHBondContact ND2-OG 2.79Å; N118-S122 PolarHBondContact OD1-N 3.32Å; N118-S122 VanDerWaalsContact OD1-N 3.09Å; N118-L123 HydrophobicContact CB-CB 4.32Å; N118-L123 PolarHBondContact N-O 3.22Å; N118-L123 PolarHBondContact OD1-N 2.77Å; N118-L123 PolarHBondContact OD1-O 3.23Å; N118-L123 VanDerWaalsContact OD1-O 3.07Å; N118-F160 HydrophobicContact CB-CB 4.45Å; N118-F160 HydrophobicContact CB-CD1 3.66Å; N118-F160 HydrophobicContact CB-CD2 4.05Å; N118-F160 HydrophobicContact CB-CE1 3.76Å; N118-F160 HydrophobicContact CB-CE2 4.06Å; N118-F160 HydrophobicContact CB-CG 3.82Å; N118-F160 HydrophobicContact CB-CZ 3.96Å | ||
| 119 | T | 97 | Very high | 98 | Very high | 34 Ų | 34 | 24.4 Ų | 24.4 | 21% | 0.209 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -44 | -169.9 | -47.6 | 0 | 0 | 0 | 0 | 114.4 | G162 N163 P322 | T119-G162 WeakPolarHBondContact OG1-CA 3.33Å; T119-G162 PolarHBondContact OG1-O 2.85Å; T119-N163 WeakPolarHBondContact CB-OD1 3.31Å; T119-N163 WeakPolarHBondContact CG2-OD1 3.3Å; T119-N163 PolarHBondContact OG1-N 3.41Å; T119-N163 PolarHBondContact OG1-OD1 2.87Å; T119-P322 HydrophobicContact CG2-CG 3.94Å; T119-P322 WeakPolarHBondContact O-CD 3.07Å; T119-P322 WeakPolarHBondContact O-CG 3.47Å |
| 120 | D | 97.5 | Very high | 97.9 | Very high | 28 Ų | 28 | 20.8 Ų | 20.8 | 15% | 0.15 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -10.5 | -178 | 65.4 | -4.5 | 0 | 0 | 0 | 113.4 | T77 N118 S122 | T77-D120 PolarHBondContact OG1-O 2.83Å; N118-D120 PolarHBondContact ND2-OD1 3.33Å; N118-D120 PolarHBondContact O-N 2.84Å; N118-D120 PolarHBondContact OD1-OD1 3.42Å; N118-D120 VanDerWaalsContact OD1-OD1 3.11Å; D120-S122 VanDerWaalsContact C-N 3.32Å; D120-S122 WeakPolarHBondContact OD1-CB 3.39Å; D120-S122 PolarHBondContact OD1-N 2.84Å; D120-S122 PolarHBondContact OD1-OG 2.82Å; D120-S122 WeakPolarHBondContact OD2-CB 3.36Å; D120-S122 PolarHBondContact OD2-OG 3.37Å |
| 121 | G | 97.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 78.8 | 8.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | H75 N118 L123 | H75-G121 WeakPolarHBondContact NE2-CA 3.25Å; H75-G121 PolarHBondContact NE2-O 2.99Å; N118-G121 PolarHBondContact O-N 2.79Å; N118-G121 WeakPolarHBondContact OD1-CA 3.32Å; N118-G121 PolarHBondContact OD1-N 3.5Å; G121-L123 VanDerWaalsContact C-N 3.27Å; G121-L123 PolarHBondContact O-N 2.74Å |
| 122 | S | 98.1 | Very high | 97.4 | Very high | 16 Ų | 16 | 28.4 Ų | 28.4 | 11% | 0.112 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -71.6 | -20.2 | 178.6 | 65.4 | 0 | 0 | 0 | 0 | 113.4 | N118 D120 P138 D319 | N118-S122 PolarHBondContact ND2-OG 2.79Å; N118-S122 PolarHBondContact OD1-N 3.32Å; N118-S122 VanDerWaalsContact OD1-N 3.09Å; D120-S122 VanDerWaalsContact C-N 3.32Å; D120-S122 WeakPolarHBondContact OD1-CB 3.39Å; D120-S122 PolarHBondContact OD1-N 2.84Å; D120-S122 PolarHBondContact OD1-OG 2.82Å; D120-S122 WeakPolarHBondContact OD2-CB 3.36Å; D120-S122 PolarHBondContact OD2-OG 3.37Å; S122-P138 WeakPolarHBondContact O-CD 3.42Å; S122-D319 WeakPolarHBondContact CB-OD1 3.06Å |
| 123 | L | 98.5 | Very high | 97.4 | Very high | 23 Ų | 23 | 28 Ų | 28 | 12% | 0.12 | 14% | 0.137 | C | C | . | . | trans | -129.4 | 144.1 | -179.8 | -59.7 | 177.8 | 0 | 0 | 0 | 112.2 | F117 N118 G121 V135 I136 L144 F160 | F117-L123 WeakPolarHBondContact CD1-O 3.4Å; N118-L123 HydrophobicContact CB-CB 4.32Å; N118-L123 PolarHBondContact N-O 3.22Å; N118-L123 PolarHBondContact OD1-N 2.77Å; N118-L123 PolarHBondContact OD1-O 3.23Å; N118-L123 VanDerWaalsContact OD1-O 3.07Å; G121-L123 VanDerWaalsContact C-N 3.27Å; G121-L123 PolarHBondContact O-N 2.74Å; L123-V135 HydrophobicContact CB-CG1 4.2Å; L123-V135 HydrophobicContact CD1-CG1 4.09Å; L123-V135 HydrophobicContact CD2-CG1 4.21Å; L123-V135 HydrophobicContact CG-CG1 4.42Å; L123-I136 WeakPolarHBondContact CA-O 3.39Å; L123-L144 HydrophobicContact CD2-CD1 3.51Å; L123-F160 HydrophobicContact CB-CE1 4.45Å; L123-F160 HydrophobicContact CB-CE2 4.39Å; L123-F160 HydrophobicContact CB-CZ 3.74Å; L123-F160 HydrophobicContact CD1-CZ 4.5Å | ||
| 124 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 123 | 174 | -173.3 | 74 | 0 | 0 | 0 | 110.6 | F83 I91 M115 F117 T126 I136 | F83-L124 HydrophobicContact CD1-CD2 3.96Å; F83-L124 HydrophobicContact CE1-CD2 4.05Å; I91-L124 HydrophobicContact CD1-CD2 3.83Å; M115-L124 HydrophobicContact CB-CD1 4.25Å; M115-L124 HydrophobicContact SD-CD2 4.43Å; F117-L124 HydrophobicContact CD1-CD1 4.01Å; F117-L124 HydrophobicContact CD2-CD1 4.25Å; F117-L124 HydrophobicContact CE1-CB 4.42Å; F117-L124 HydrophobicContact CE1-CD1 3.87Å; F117-L124 HydrophobicContact CE2-CD1 4.11Å; F117-L124 HydrophobicContact CG-CD1 4.2Å; F117-L124 HydrophobicContact CZ-CD1 3.89Å; L124-T126 HydrophobicContact CD2-CG2 3.91Å; L124-T126 HydrophobicContact CG-CG2 4Å; L124-I136 PolarHBondContact N-O 3.32Å; L124-I136 PolarHBondContact O-N 3.05Å |
| 125 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 135.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | M115 S116 R134 V158 F160 L167 | M115-A125 CarbonylContact C-O 3.57Å; M115-A125 WeakPolarHBondContact CA-O 3.46Å; S116-A125 PolarHBondContact N-O 2.57Å; S116-A125 PolarHBondContact O-N 3Å; A125-R134 CarbonylContact C-O 3.5Å; A125-R134 VanDerWaalsContact CA-O 3.28Å; A125-R134 WeakPolarHBondContact CA-O 3.37Å; A125-V158 HydrophobicContact CB-CG1 4.08Å; A125-V158 HydrophobicContact CB-CG2 3.83Å; A125-F160 HydrophobicContact CB-CD2 3.82Å; A125-F160 HydrophobicContact CB-CE2 3.38Å; A125-F160 HydrophobicContact CB-CZ 3.97Å; A125-F160 VanDerWaalsContact N-CE2 3.34Å; A125-L167 HydrophobicContact CB-CD1 4.32Å; A125-L167 HydrophobicContact CB-CD2 3.97Å |
| 126 | T | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 139.8 | 179.6 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | I91 H108 S114 M115 L124 L133 R134 I136 | I91-T126 HydrophobicContact CD1-CG2 3.88Å; H108-T126 PolarHBondContact NE2-OG1 3.19Å; S114-T126 WeakPolarHBondContact O-CA 3.27Å; M115-T126 HydrophobicContact CG-CG2 4.24Å; L124-T126 HydrophobicContact CD2-CG2 3.91Å; L124-T126 HydrophobicContact CG-CG2 4Å; T126-L133 WeakPolarHBondContact O-CA 3.27Å; T126-L133 WeakPolarHBondContact O-CD1 3.3Å; T126-R134 PolarHBondContact N-O 3.24Å; T126-R134 PolarHBondContact O-N 2.93Å; T126-I136 HydrophobicContact CG2-CD1 4.12Å |
| 127 | S | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 140 | 167.6 | 61.1 | 0 | 0 | 0 | 0 | 110.1 | L113 S114 N156 | L113-S127 PolarHBondContact N-O 3.43Å; S114-S127 WeakPolarHBondContact CB-OG 3.32Å; S114-S127 PolarHBondContact N-O 3.44Å; S114-S127 PolarHBondContact N-OG 2.91Å; S114-S127 PolarHBondContact O-N 3.49Å; S127-N156 PolarHBondContact OG-O 3.33Å |
| 128 | C | 97.1 | Very high | 97.3 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.014 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 152.5 | -173.1 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | D110 V111 D130 K131 K132 | D110-C128 VanDerWaalsContact C-SG 3.57Å; D110-C128 PolarHBondContact O-SG 3.14Å; V111-C128 WeakPolarHBondContact O-CA 3.28Å; V111-C128 PolarHBondContact O-SG 2.81Å; V111-C128 VanDerWaalsContact O-SG 3.41Å; C128-D130 WeakPolarHBondContact CB-OD1 3.16Å; C128-D130 PolarHBondContact O-N 3.19Å; C128-D130 PolarHBondContact SG-N 2.97Å; C128-D130 PolarHBondContact SG-OD1 3.08Å; C128-D130 VanDerWaalsContact SG-OD1 3.38Å; C128-D130 PolarHBondContact SG-OD2 2.99Å; C128-K131 WeakPolarHBondContact O-CA 3.01Å; C128-K131 PolarHBondContact O-N 3.3Å; C128-K132 PolarHBondContact N-O 2.93Å |
| 129 | K | 95.8 | Very high | 97.2 | Very high | 125 Ų | 125 | 26.1 Ų | 26.1 | 54% | 0.543 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -16.2 | 177.1 | -169.4 | 178.3 | 174.7 | -168.2 | 0 | 113.1 | D110 V111 L113 K131 | D110-K129 HydrophobicContact CB-CB 4.07Å; D110-K129 WeakPolarHBondContact OD2-CG 3.46Å; V111-K129 HydrophobicContact CB-CB 4.28Å; V111-K129 HydrophobicContact CB-CD 4.47Å; V111-K129 WeakPolarHBondContact O-CB 3.37Å; V111-K129 PolarHBondContact O-N 3.27Å; L113-K129 HydrophobicContact CD1-CB 4.34Å; L113-K129 HydrophobicContact CD2-CB 4.45Å; L113-K129 HydrophobicContact CG-CB 4.49Å; K129-K131 PolarHBondContact O-N 2.83Å; K129-K131 VanDerWaalsContact O-N 3.07Å |
| 130 | D | 94.1 | Very high | 97.1 | Very high | 29 Ų | 29 | 27.4 Ų | 27.4 | 16% | 0.155 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 0.4 | 165.8 | 73.5 | 6.9 | 0 | 0 | 0 | 113.8 | D110 C128 K132 R134 | D110-D130 HydrophobicContact CB-CB 4.03Å; C128-D130 WeakPolarHBondContact CB-OD1 3.16Å; C128-D130 PolarHBondContact O-N 3.19Å; C128-D130 PolarHBondContact SG-N 2.97Å; C128-D130 PolarHBondContact SG-OD1 3.08Å; C128-D130 VanDerWaalsContact SG-OD1 3.38Å; C128-D130 PolarHBondContact SG-OD2 2.99Å; D130-K132 VanDerWaalsContact C-N 3.32Å; D130-K132 PolarHBondContact O-N 2.81Å; D130-K132 WeakPolarHBondContact OD1-CB 3.24Å; D130-K132 PolarHBondContact OD1-N 3.11Å; D130-R134 IonicContact OD1-NH1 3.05Å; D130-R134 PolarHBondContact OD1-NH1 2.81Å; D130-R134 IonicContact OD2-CZ 2.7Å; D130-R134 VanDerWaalsContact OD2-CZ 3.27Å; D130-R134 IonicContact OD2-NH1 2.73Å; D130-R134 PolarHBondContact OD2-NH1 3.2Å; D130-R134 IonicContact OD2-NH2 2.75Å; D130-R134 PolarHBondContact OD2-NH2 3.14Å |
| 131 | K | 92.3 | Very high | 96.9 | Very high | 141 Ų | 141 | 27 Ų | 27 | 61% | 0.613 | 13% | 0.134 | S | C | * | . | S | Bend | trans | 70.5 | 20 | 177 | -50.5 | 174.7 | -177.4 | 171.7 | 0 | 114.2 | C128 K129 | C128-K131 WeakPolarHBondContact O-CA 3.01Å; C128-K131 PolarHBondContact O-N 3.3Å; K129-K131 PolarHBondContact O-N 2.83Å; K129-K131 VanDerWaalsContact O-N 3.07Å |
| 132 | K | 94.3 | Very high | 96.9 | Very high | 71 Ų | 71 | 34.9 Ų | 34.9 | 31% | 0.309 | 16% | 0.164 | S | C | . | . | trans | -110.7 | 130.1 | 177.4 | -61.1 | 173.1 | 175.3 | -173.5 | 0 | 111 | C128 D130 Q146 | C128-K132 PolarHBondContact N-O 2.93Å; D130-K132 VanDerWaalsContact C-N 3.32Å; D130-K132 PolarHBondContact O-N 2.81Å; D130-K132 WeakPolarHBondContact OD1-CB 3.24Å; D130-K132 PolarHBondContact OD1-N 3.11Å; K132-Q146 HydrophobicContact CB-CG 4.34Å; K132-Q146 HydrophobicContact CD-CG 4.11Å | ||
| 133 | L | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 137.6 | 160.1 | -178.7 | 67.8 | 0 | 0 | 0 | 109.5 | T126 Q146 Q147 V158 L167 T169 W183 L188 | T126-L133 WeakPolarHBondContact O-CA 3.27Å; T126-L133 WeakPolarHBondContact O-CD1 3.3Å; L133-Q146 WeakPolarHBondContact O-CA 3.4Å; L133-Q147 HydrophobicContact CB-CB 4.22Å; L133-Q147 VanDerWaalsContact CB-OE1 3.3Å; L133-Q147 PolarHBondContact O-N 3.33Å; L133-V158 HydrophobicContact CD1-CB 3.85Å; L133-V158 HydrophobicContact CD1-CG1 4.16Å; L133-V158 HydrophobicContact CD1-CG2 3.72Å; L133-L167 HydrophobicContact CD2-CD1 4.21Å; L133-T169 HydrophobicContact CD1-CG2 4.13Å; L133-T169 HydrophobicContact CD2-CG2 3.9Å; L133-W183 HydrophobicContact CD2-CD2 4.17Å; L133-W183 HydrophobicContact CD2-CG 4.3Å; L133-L188 HydrophobicContact CB-CD1 4.32Å; L133-L188 HydrophobicContact CD2-CD1 3.97Å; L133-L188 HydrophobicContact CD2-CD2 3.83Å; L133-L188 HydrophobicContact CD2-CG 4.49Å; L133-L188 HydrophobicContact CG-CD1 3.82Å |
| 134 | R | 98.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 144.9 | 178.7 | -64.3 | 173.4 | 178.7 | 85.9 | -13 | 111.5 | C107 A125 T126 D130 I136 V143 Q145 Q146 | C107-R134 PolarHBondContact O-NH2 3.49Å; A125-R134 CarbonylContact C-O 3.5Å; A125-R134 VanDerWaalsContact CA-O 3.28Å; A125-R134 WeakPolarHBondContact CA-O 3.37Å; T126-R134 PolarHBondContact N-O 3.24Å; T126-R134 PolarHBondContact O-N 2.93Å; D130-R134 IonicContact OD1-NH1 3.05Å; D130-R134 PolarHBondContact OD1-NH1 2.81Å; D130-R134 IonicContact OD2-CZ 2.7Å; D130-R134 VanDerWaalsContact OD2-CZ 3.27Å; D130-R134 IonicContact OD2-NH1 2.73Å; D130-R134 PolarHBondContact OD2-NH1 3.2Å; D130-R134 IonicContact OD2-NH2 2.75Å; D130-R134 PolarHBondContact OD2-NH2 3.14Å; R134-I136 HydrophobicContact CB-CD1 4.28Å; R134-I136 HydrophobicContact CB-CG1 4.05Å; R134-V143 HydrophobicContact CB-CG1 4.26Å; R134-V143 HydrophobicContact CG-CG1 4.16Å; R134-Q145 CarbonylContact C-O 3.59Å; R134-Q145 VanDerWaalsContact CA-O 3.27Å; R134-Q145 WeakPolarHBondContact CA-O 3.47Å; R134-Q146 HydrophobicContact CG-CB 4.38Å; R134-Q146 HydrophobicContact CG-CG 4.06Å; R134-Q146 VanDerWaalsContact NE-OE1 3.09Å |
| 135 | V | 98.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 127.7 | 160.4 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | L123 L144 Q145 F160 L167 L188 | L123-V135 HydrophobicContact CB-CG1 4.2Å; L123-V135 HydrophobicContact CD1-CG1 4.09Å; L123-V135 HydrophobicContact CD2-CG1 4.21Å; L123-V135 HydrophobicContact CG-CG1 4.42Å; V135-L144 PolarHBondContact O-N 3.02Å; V135-Q145 HydrophobicContact CB-CB 4.1Å; V135-Q145 HydrophobicContact CG2-CB 4.4Å; V135-Q145 PolarHBondContact N-O 2.98Å; V135-Q145 PolarHBondContact O-N 3.1Å; V135-Q145 VanDerWaalsContact O-N 3.17Å; V135-F160 HydrophobicContact CG1-CZ 4.33Å; V135-L167 HydrophobicContact CG2-CD1 3.8Å; V135-L188 HydrophobicContact CG2-CD1 4.16Å |
| 136 | I | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.5 | -169.6 | -54.2 | 173.4 | 0 | 0 | 0 | 108.5 | I105 L123 L124 T126 R134 P138 V143 | I105-I136 HydrophobicContact CD1-CG2 4.2Å; I105-I136 HydrophobicContact CG2-CD1 4.37Å; I105-I136 HydrophobicContact CG2-CG2 4.42Å; L123-I136 WeakPolarHBondContact CA-O 3.39Å; L124-I136 PolarHBondContact N-O 3.32Å; L124-I136 PolarHBondContact O-N 3.05Å; T126-I136 HydrophobicContact CG2-CD1 4.12Å; R134-I136 HydrophobicContact CB-CD1 4.28Å; R134-I136 HydrophobicContact CB-CG1 4.05Å; I136-P138 WeakPolarHBondContact O-CD 2.9Å; I136-V143 HydrophobicContact CG1-CG2 4.38Å |
| 137 | E | 98.3 | Very high | 95.9 | Very high | 30 Ų | 30 | 44.9 Ų | 44.9 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 111.2 | 162.2 | -166.3 | -73.2 | 140.7 | 0 | 0 | 107.2 | R139 S140 G141 R142 L144 | E137-R139 VanDerWaalsContact OE1-CB 3.31Å; E137-R139 WeakPolarHBondContact OE1-CB 3.34Å; E137-R139 IonicContact OE1-CZ 3.22Å; E137-R139 PolarHBondContact OE1-N 3.45Å; E137-R139 IonicContact OE1-NE 3.86Å; E137-R139 PolarHBondContact OE1-NE 3.31Å; E137-R139 IonicContact OE1-NH2 3.77Å; E137-R139 PolarHBondContact OE2-N 2.87Å; E137-S140 PolarHBondContact O-OG 2.8Å; E137-S140 WeakPolarHBondContact OE2-CA 3.37Å; E137-S140 WeakPolarHBondContact OE2-CB 3.44Å; E137-S140 PolarHBondContact OE2-N 2.88Å; E137-S140 PolarHBondContact OE2-OG 2.88Å; E137-G141 WeakPolarHBondContact O-CA 3.5Å; E137-G141 PolarHBondContact O-N 3.38Å; E137-R142 PolarHBondContact N-O 3.4Å; E137-R142 PolarHBondContact O-N 2.85Å; E137-L144 HydrophobicContact CB-CD1 4.12Å; E137-L144 HydrophobicContact CB-CD2 4.24Å; E137-L144 HydrophobicContact CB-CG 4.16Å |
| 138 | P | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -28.8 | -162.8 | 28.2 | -34.6 | 0 | 0 | 0 | 114.1 | F83 I93 I105 S122 I136 G141 W314 | F83-P138 HydrophobicContact CE1-CB 3.58Å; F83-P138 HydrophobicContact CE1-CG 4.44Å; F83-P138 HydrophobicContact CZ-CB 3.61Å; F83-P138 HydrophobicContact CZ-CG 4.12Å; I93-P138 HydrophobicContact CD1-CB 3.98Å; I93-P138 WeakPolarHBondContact CD1-O 3.29Å; I105-P138 HydrophobicContact CD1-CB 4.18Å; S122-P138 WeakPolarHBondContact O-CD 3.42Å; I136-P138 WeakPolarHBondContact O-CD 2.9Å; P138-G141 PolarHBondContact O-N 2.8Å; P138-W314 HydrophobicContact CG-CH2 4.43Å; P138-W314 HydrophobicContact CG-CZ2 3.89Å |
| 139 | R | 95.8 | Very high | 92.6 | Very high | 46 Ų | 46 | 53.3 Ų | 53.3 | 17% | 0.174 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -41.9 | -177.1 | -61.7 | 168.6 | -72.5 | -151.4 | -5.5 | 111.4 | K103 E137 W314 G317 I318 D319 | K103-R139 WeakPolarHBondContact CD-O 3.48Å; K103-R139 WeakPolarHBondContact CE-O 3.45Å; K103-R139 PolarHBondContact NZ-O 2.84Å; E137-R139 VanDerWaalsContact OE1-CB 3.31Å; E137-R139 WeakPolarHBondContact OE1-CB 3.34Å; E137-R139 IonicContact OE1-CZ 3.22Å; E137-R139 PolarHBondContact OE1-N 3.45Å; E137-R139 IonicContact OE1-NE 3.86Å; E137-R139 PolarHBondContact OE1-NE 3.31Å; E137-R139 IonicContact OE1-NH2 3.77Å; E137-R139 PolarHBondContact OE2-N 2.87Å; R139-W314 WeakPolarHBondContact CD-O 3.37Å; R139-W314 HydrophobicContact CG-CD2 4.44Å; R139-W314 HydrophobicContact CG-CE3 4.49Å; R139-W314 HydrophobicContact CG-CH2 3.75Å; R139-W314 HydrophobicContact CG-CZ2 3.68Å; R139-W314 HydrophobicContact CG-CZ3 4.17Å; R139-W314 PolarHBondContact NH1-O 2.64Å; R139-G317 PolarHBondContact NH1-O 2.73Å; R139-I318 PolarHBondContact NH1-O 3.34Å; R139-D319 IonicContact CZ-OD1 2.85Å; R139-D319 IonicContact CZ-OD2 2.81Å; R139-D319 IonicContact NH1-OD1 2.65Å; R139-D319 PolarHBondContact NH1-OD1 2.9Å; R139-D319 IonicContact NH1-OD2 2.97Å; R139-D319 IonicContact NH2-OD1 3.07Å; R139-D319 PolarHBondContact NH2-OD1 3.05Å; R139-D319 IonicContact NH2-OD2 3.75Å; R139-D319 PolarHBondContact NH2-OD2 3.02Å |
| 140 | S | 95.3 | Very high | 91 | Very high | 61 Ų | 61 | 49.4 Ų | 49.4 | 43% | 0.427 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -30.8 | 171.7 | 70.9 | 0 | 0 | 0 | 0 | 112.2 | K103 E137 R142 | K103-S140 WeakPolarHBondContact CE-O 3.41Å; K103-S140 VanDerWaalsContact NZ-C 3.35Å; K103-S140 PolarHBondContact NZ-O 2.98Å; E137-S140 PolarHBondContact O-OG 2.8Å; E137-S140 WeakPolarHBondContact OE2-CA 3.37Å; E137-S140 WeakPolarHBondContact OE2-CB 3.44Å; E137-S140 PolarHBondContact OE2-N 2.88Å; E137-S140 PolarHBondContact OE2-OG 2.88Å; S140-R142 VanDerWaalsContact C-N 3.27Å; S140-R142 VanDerWaalsContact OG-CB 3.23Å; S140-R142 WeakPolarHBondContact OG-CB 3.5Å; S140-R142 PolarHBondContact OG-N 3.47Å; S140-R142 VanDerWaalsContact OG-N 3.1Å |
| 141 | G | 93.5 | Very high | 89.7 | Confident | 19 Ų | 19 | 56.7 Ų | 56.7 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 9.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E137 P138 | E137-G141 WeakPolarHBondContact O-CA 3.5Å; E137-G141 PolarHBondContact O-N 3.38Å; P138-G141 PolarHBondContact O-N 2.8Å |
| 142 | R | 97.3 | Very high | 88.8 | Confident | 165 Ų | 165 | 52.9 Ų | 52.9 | 62% | 0.623 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 126.8 | -179.4 | -173.8 | 174.9 | 66.6 | 176.8 | 1.7 | 110.2 | E137 S140 L144 | E137-R142 PolarHBondContact N-O 3.4Å; E137-R142 PolarHBondContact O-N 2.85Å; S140-R142 VanDerWaalsContact C-N 3.27Å; S140-R142 VanDerWaalsContact OG-CB 3.23Å; S140-R142 WeakPolarHBondContact OG-CB 3.5Å; S140-R142 PolarHBondContact OG-N 3.47Å; S140-R142 VanDerWaalsContact OG-N 3.1Å; R142-L144 HydrophobicContact CG-CD2 4.3Å; R142-L144 VanDerWaalsContact NE-CD2 3.31Å; R142-L144 PolarHBondContact O-N 3.24Å |
| 143 | V | 98.3 | Very high | 88.1 | Confident | 45 Ų | 45 | 49.7 Ų | 49.7 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 112.9 | 168.1 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | C107 R134 I136 Q145 Q146 | C107-V143 HydrophobicContact CB-CG2 3.8Å; R134-V143 HydrophobicContact CB-CG1 4.26Å; R134-V143 HydrophobicContact CG-CG1 4.16Å; I136-V143 HydrophobicContact CG1-CG2 4.38Å; V143-Q145 VanDerWaalsContact CG1-O 3.3Å; V143-Q145 WeakPolarHBondContact CG1-O 3.34Å; V143-Q146 HydrophobicContact CG1-CB 3.99Å |
| 144 | L | 97.9 | Very high | 87.7 | Confident | 64 Ų | 64 | 54.5 Ų | 54.5 | 34% | 0.335 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -42.6 | 179 | -58.8 | -174.8 | 0 | 0 | 0 | 111.2 | L123 V135 E137 R142 | L123-L144 HydrophobicContact CD2-CD1 3.51Å; V135-L144 PolarHBondContact O-N 3.02Å; E137-L144 HydrophobicContact CB-CD1 4.12Å; E137-L144 HydrophobicContact CB-CD2 4.24Å; E137-L144 HydrophobicContact CB-CG 4.16Å; R142-L144 HydrophobicContact CG-CD2 4.3Å; R142-L144 VanDerWaalsContact NE-CD2 3.31Å; R142-L144 PolarHBondContact O-N 3.24Å |
| 145 | Q | 96.7 | Very high | 87.5 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 30% | 0.299 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 143.4 | 177.2 | -65.1 | -60.4 | -24.8 | 0 | 0 | 110.8 | R134 V135 V143 Q185 E186 L188 | R134-Q145 CarbonylContact C-O 3.59Å; R134-Q145 VanDerWaalsContact CA-O 3.27Å; R134-Q145 WeakPolarHBondContact CA-O 3.47Å; V135-Q145 HydrophobicContact CB-CB 4.1Å; V135-Q145 HydrophobicContact CG2-CB 4.4Å; V135-Q145 PolarHBondContact N-O 2.98Å; V135-Q145 PolarHBondContact O-N 3.1Å; V135-Q145 VanDerWaalsContact O-N 3.17Å; V143-Q145 VanDerWaalsContact CG1-O 3.3Å; V143-Q145 WeakPolarHBondContact CG1-O 3.34Å; Q145-Q185 WeakPolarHBondContact CG-O 3.48Å; Q145-E186 PolarHBondContact NE2-O 2.78Å; Q145-L188 HydrophobicContact CB-CB 4.41Å; Q145-L188 HydrophobicContact CB-CD1 3.87Å; Q145-L188 HydrophobicContact CB-CG 3.82Å |
| 146 | Q | 93.3 | Very high | 87.4 | Confident | 73 Ų | 73 | 57 Ų | 57 | 34% | 0.341 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 129.7 | 176.2 | -176.4 | 177.4 | -93.6 | 0 | 0 | 110.3 | K132 L133 R134 V143 A148 | K132-Q146 HydrophobicContact CB-CG 4.34Å; K132-Q146 HydrophobicContact CD-CG 4.11Å; L133-Q146 WeakPolarHBondContact O-CA 3.4Å; R134-Q146 HydrophobicContact CG-CB 4.38Å; R134-Q146 HydrophobicContact CG-CG 4.06Å; R134-Q146 VanDerWaalsContact NE-OE1 3.09Å; V143-Q146 HydrophobicContact CG1-CB 3.99Å; Q146-A148 PolarHBondContact O-N 3.36Å |
| 147 | Q | 86.8 | Confident | 87.3 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.019 | 30% | 0.304 | C | S | . | . | trans | -60.8 | 109.2 | 171.5 | -177.6 | -176 | -14.3 | 0 | 0 | 110.1 | L133 Y150 | L133-Q147 HydrophobicContact CB-CB 4.22Å; L133-Q147 VanDerWaalsContact CB-OE1 3.3Å; L133-Q147 PolarHBondContact O-N 3.33Å; Q147-Y150 PolarHBondContact NE2-O 3.43Å | ||
| 148 | A | 67.1 | Low | 87.3 | Confident | 79 Ų | 79 | 58.3 Ų | 58.3 | 65% | 0.653 | 30% | 0.297 | S | S | * | . | trans | -79.9 | -33.5 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q146 | Q146-A148 PolarHBondContact O-N 3.36Š| ||
| 149 | S | 57.9 | Low | 87.4 | Confident | 99 Ų | 99 | 59.5 Ų | 59.5 | 69% | 0.692 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -163 | 16.5 | -174.3 | -92.7 | 0 | 0 | 0 | 0 | 116.2 | K151 | S149-K151 PolarHBondContact O-N 2.85Š|
| 150 | Y | 62.2 | Low | 87.5 | Confident | 44 Ų | 44 | 57.8 Ų | 57.8 | 17% | 0.173 | 30% | 0.298 | C | S | . | . | trans | -73.3 | 105.9 | 179 | -171.6 | -104.6 | 0 | 0 | 0 | 110.9 | Q147 N152 H153 W183 P191 E194 | Q147-Y150 PolarHBondContact NE2-O 3.43Å; Y150-N152 HydrophobicContact CE1-CB 4.03Å; Y150-N152 HydrophobicContact CE2-CB 4.28Å; Y150-N152 WeakPolarHBondContact OH-CB 3.34Å; Y150-H153 HydrophobicContact CD1-CB 4.07Å; Y150-H153 HydrophobicContact CE1-CB 3.56Å; Y150-W183 AromaticContact CD1-CH2 3.82Å; Y150-W183 HydrophobicContact CD1-CH2 3.82Å; Y150-W183 HydrophobicContact CE1-CH2 4.31Å; Y150-W183 HydrophobicContact CG-CH2 4.35Å; Y150-P191 HydrophobicContact CE1-CG 4.2Å; Y150-P191 HydrophobicContact CE2-CG 4.49Å; Y150-E194 WeakPolarHBondContact CE1-OE1 3.35Å; Y150-E194 PolarHBondContact OH-OE1 3.2Å; Y150-E194 PolarHBondContact OH-OE2 3.16Å | ||
| 151 | K | 67 | Low | 87.6 | Confident | 182 Ų | 182 | 54.9 Ų | 54.9 | 79% | 0.791 | 28% | 0.278 | S | S | * | . | trans | -96.1 | -7.3 | -169.9 | -71.9 | -179.5 | -174.7 | 177.8 | 0 | 114.8 | S149 | S149-K151 PolarHBondContact O-N 2.85Š| ||
| 152 | N | 72.4 | Confident | 87.6 | Confident | 60 Ų | 60 | 54.5 Ų | 54.5 | 32% | 0.321 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -86.2 | -22.4 | -170.6 | -65.8 | -26.7 | 0 | 0 | 0 | 113.5 | Y150 S173 R174 | Y150-N152 HydrophobicContact CE1-CB 4.03Å; Y150-N152 HydrophobicContact CE2-CB 4.28Å; Y150-N152 WeakPolarHBondContact OH-CB 3.34Å; N152-S173 CarbonylContact O-C 3.57Å; N152-S173 VanDerWaalsContact O-CA 3.25Å; N152-S173 WeakPolarHBondContact O-CA 3.19Å; N152-R174 PolarHBondContact O-N 3.22Å |
| 153 | H | 80.2 | Confident | 87.2 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.019 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 111.6 | -176.3 | -175.1 | 69.5 | 0 | 0 | 0 | 110.6 | Y150 V155 T169 G171 Q179 | Y150-H153 HydrophobicContact CD1-CB 4.07Å; Y150-H153 HydrophobicContact CE1-CB 3.56Å; H153-V155 WeakPolarHBondContact CD2-CG2 3.34Å; H153-V155 PolarHBondContact O-N 2.97Å; H153-T169 PolarHBondContact CD2-OG1 3.41Å; H153-T169 PolarHBondContact NE2-OG1 3.45Å; H153-G171 VanDerWaalsContact CE1-CA 3.47Å; H153-G171 WeakPolarHBondContact CE1-CA 3.31Å; H153-G171 PolarHBondContact CE1-N 2.91Å; H153-Q179 PolarHBondContact CE1-O 2.95Å; H153-Q179 PolarHBondContact ND1-OE1 3.2Å |
| 154 | R | 89.3 | Confident | 87 | Confident | 102 Ų | 102 | 51.5 Ų | 51.5 | 39% | 0.385 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 97.6 | 172.1 | -63.7 | -174.5 | -65.3 | -104.5 | 0.3 | 108.5 | G171 V172 N176 | R154-G171 CarbonylContact O-C 3.58Å; R154-G171 WeakPolarHBondContact O-CA 3.41Å; R154-V172 HydrophobicContact CB-CG2 3.8Å; R154-V172 HydrophobicContact CG-CG2 4.47Å; R154-V172 PolarHBondContact N-O 2.95Å; R154-V172 VanDerWaalsContact NE-CG2 3.32Å; R154-V172 VanDerWaalsContact NH2-CG2 3.32Å; R154-V172 PolarHBondContact O-N 3.39Å; R154-N176 PolarHBondContact NH2-OD1 3.48Å |
| 155 | V | 93.6 | Very high | 86.8 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 129.6 | 179.9 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | H153 R157 T169 | H153-V155 WeakPolarHBondContact CD2-CG2 3.34Å; H153-V155 PolarHBondContact O-N 2.97Å; V155-R157 WeakPolarHBondContact CG1-O 3.37Å; V155-T169 HydrophobicContact CG1-CG2 3.65Å; V155-T169 HydrophobicContact CG2-CG2 3.99Å |
| 156 | N | 95.6 | Very high | 86.8 | Confident | 46 Ų | 46 | 53 Ų | 53 | 25% | 0.246 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | -34.9 | 171.9 | -64.6 | -51.9 | 0 | 0 | 0 | 112.7 | L113 S127 T170 L203 | L113-N156 WeakPolarHBondContact CB-O 3.25Å; S127-N156 PolarHBondContact OG-O 3.33Å; N156-T170 PolarHBondContact N-O 3.42Å; N156-L203 HydrophobicContact CB-CD1 3.27Å |
| 157 | R | 98.1 | Very high | 87.1 | Confident | 57 Ų | 57 | 49.5 Ų | 49.5 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 148.1 | 175.4 | -57.2 | -70.4 | -179.1 | 175.5 | -11.3 | 110.3 | V155 T169 T170 P206 | V155-R157 WeakPolarHBondContact CG1-O 3.37Å; R157-T169 WeakPolarHBondContact O-CA 3.41Å; R157-T169 WeakPolarHBondContact O-CB 3.23Å; R157-T170 WeakPolarHBondContact CB-OG1 3.39Å; R157-T170 PolarHBondContact N-O 3.26Å; R157-T170 VanDerWaalsContact N-O 3.1Å; R157-T170 PolarHBondContact O-N 3.24Å; R157-P206 HydrophobicContact CB-CG 3.88Å |
| 158 | V | 98.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 140.8 | 170.4 | 59.1 | 0 | 0 | 0 | 0 | 109.2 | S114 S116 A125 L133 L167 L168 T169 | S114-V158 PolarHBondContact OG-N 3.42Å; S114-V158 PolarHBondContact OG-O 3.23Å; S116-V158 WeakPolarHBondContact CB-O 3.37Å; A125-V158 HydrophobicContact CB-CG1 4.08Å; A125-V158 HydrophobicContact CB-CG2 3.83Å; L133-V158 HydrophobicContact CD1-CB 3.85Å; L133-V158 HydrophobicContact CD1-CG1 4.16Å; L133-V158 HydrophobicContact CD1-CG2 3.72Å; V158-L167 HydrophobicContact CG2-CB 4.23Å; V158-L167 HydrophobicContact CG2-CD1 4.35Å; V158-L167 HydrophobicContact CG2-CD2 4.43Å; V158-L168 WeakPolarHBondContact CA-O 3.47Å; V158-T169 HydrophobicContact CB-CG2 4.13Å; V158-T169 HydrophobicContact CG2-CG2 4.08Å |
| 159 | V | 98.6 | Very high | 89.1 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 15% | 0.152 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 137.8 | 169.6 | -68 | 0 | 0 | 0 | 0 | 110 | S116 L161 L167 L168 P206 | S116-V159 WeakPolarHBondContact OG-CA 3.45Å; V159-L161 HydrophobicContact CG2-CD2 4.08Å; V159-L167 WeakPolarHBondContact O-CA 3.32Å; V159-L168 HydrophobicContact CG2-CB 3.99Å; V159-L168 HydrophobicContact CG2-CD2 4.33Å; V159-L168 PolarHBondContact N-O 3.2Å; V159-L168 PolarHBondContact O-N 3.13Å; V159-P206 HydrophobicContact CG1-CB 4.42Å; V159-P206 HydrophobicContact CG1-CG 3.88Å; V159-P206 HydrophobicContact CG2-CB 4Å; V159-P206 HydrophobicContact CG2-CG 4.06Å |
| 160 | F | 98.4 | Very high | 91 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 4% | 0.044 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 146.4 | 160.7 | -82.3 | -87.6 | 0 | 0 | 0 | 110.1 | S116 F117 N118 L123 A125 V135 G162 L167 Q185 | S116-F160 VanDerWaalsContact O-CD2 3.32Å; S116-F160 WeakPolarHBondContact O-CD2 3.45Å; S116-F160 VanDerWaalsContact O-CE2 3.29Å; S116-F160 WeakPolarHBondContact O-CE2 3.48Å; S116-F160 PolarHBondContact OG-N 2.73Å; F117-F160 WeakPolarHBondContact O-CB 3.46Å; F117-F160 WeakPolarHBondContact O-CD2 3.36Å; N118-F160 HydrophobicContact CB-CB 4.45Å; N118-F160 HydrophobicContact CB-CD1 3.66Å; N118-F160 HydrophobicContact CB-CD2 4.05Å; N118-F160 HydrophobicContact CB-CE1 3.76Å; N118-F160 HydrophobicContact CB-CE2 4.06Å; N118-F160 HydrophobicContact CB-CG 3.82Å; N118-F160 HydrophobicContact CB-CZ 3.96Å; L123-F160 HydrophobicContact CB-CE1 4.45Å; L123-F160 HydrophobicContact CB-CE2 4.39Å; L123-F160 HydrophobicContact CB-CZ 3.74Å; L123-F160 HydrophobicContact CD1-CZ 4.5Å; A125-F160 HydrophobicContact CB-CD2 3.82Å; A125-F160 HydrophobicContact CB-CE2 3.38Å; A125-F160 HydrophobicContact CB-CZ 3.97Å; A125-F160 VanDerWaalsContact N-CE2 3.34Å; V135-F160 HydrophobicContact CG1-CZ 4.33Å; F160-G162 PolarHBondContact O-N 2.7Å; F160-L167 HydrophobicContact CB-CD2 4.26Å; F160-L167 HydrophobicContact CD1-CD2 3.24Å; F160-L167 HydrophobicContact CD2-CD2 3.87Å; F160-L167 HydrophobicContact CE1-CD2 3.39Å; F160-L167 HydrophobicContact CE2-CD2 4.06Å; F160-L167 HydrophobicContact CG-CD2 3.49Å; F160-L167 VanDerWaalsContact CG-CD2 3.49Å; F160-L167 HydrophobicContact CZ-CD2 3.82Å; F160-Q185 HydrophobicContact CE1-CB 4.27Å |
| 161 | L | 97.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -102 | 56.1 | -179.5 | -55.2 | 177.4 | 0 | 0 | 0 | 110.1 | V159 N163 M164 R166 L168 F182 Y208 I230 | V159-L161 HydrophobicContact CG2-CD2 4.08Å; L161-N163 PolarHBondContact O-N 3.08Å; L161-M164 HydrophobicContact CB-CB 4.35Å; L161-M164 HydrophobicContact CB-SD 4.03Å; L161-M164 WeakPolarHBondContact O-CB 3.19Å; L161-M164 WeakPolarHBondContact O-CG 3.37Å; L161-M164 PolarHBondContact O-N 3.08Å; L161-M164 VanDerWaalsContact O-N 3.12Å; L161-R166 HydrophobicContact CB-CB 4.23Å; L161-R166 HydrophobicContact CD1-CB 3.81Å; L161-R166 HydrophobicContact CG-CB 4.38Å; L161-R166 PolarHBondContact N-O 2.75Å; L161-L168 HydrophobicContact CD1-CB 3.95Å; L161-L168 HydrophobicContact CD2-CB 3.8Å; L161-L168 HydrophobicContact CG-CB 4.19Å; L161-F182 HydrophobicContact CD1-CD2 3.68Å; L161-F182 HydrophobicContact CD1-CE2 3.23Å; L161-F182 HydrophobicContact CD1-CZ 4.22Å; L161-Y208 VanDerWaalsContact CA-CE1 3.4Å; L161-Y208 HydrophobicContact CB-CD1 4.46Å; L161-Y208 HydrophobicContact CB-CE1 4.04Å; L161-Y208 HydrophobicContact CB-CE2 4.42Å; L161-Y208 HydrophobicContact CD2-CD1 4Å; L161-Y208 HydrophobicContact CD2-CD2 3.62Å; L161-Y208 HydrophobicContact CD2-CE1 4.3Å; L161-Y208 HydrophobicContact CD2-CE2 3.93Å; L161-Y208 HydrophobicContact CD2-CG 3.64Å; L161-I230 HydrophobicContact CD1-CG2 4.08Å | ||
| 162 | G | 92.4 | Very high | 93.9 | Very high | 12 Ų | 12 | 31.8 Ų | 31.8 | 12% | 0.124 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | 53.3 | -132.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T119 F160 M164 | T119-G162 WeakPolarHBondContact OG1-CA 3.33Å; T119-G162 PolarHBondContact OG1-O 2.85Å; F160-G162 PolarHBondContact O-N 2.7Å; G162-M164 PolarHBondContact O-N 2.95Å |
| 163 | N | 89.3 | Confident | 94.9 | Very high | 119 Ų | 119 | 29 Ų | 29 | 64% | 0.636 | 14% | 0.139 | S | C | * | . | G | 310 helix | trans | -82 | 6 | -178.4 | -68 | -15 | 0 | 0 | 0 | 114.1 | T119 L161 K165 | T119-N163 WeakPolarHBondContact CB-OD1 3.31Å; T119-N163 WeakPolarHBondContact CG2-OD1 3.3Å; T119-N163 PolarHBondContact OG1-N 3.41Å; T119-N163 PolarHBondContact OG1-OD1 2.87Å; L161-N163 PolarHBondContact O-N 3.08Å; N163-K165 PolarHBondContact O-N 2.85Å; N163-K165 VanDerWaalsContact O-N 3.14Å |
| 164 | M | 94.5 | Very high | 95.3 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 13% | 0.133 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -70.7 | -7.6 | -177.7 | -59.7 | 177.5 | 82.4 | 0 | 0 | 113.6 | L161 G162 R166 Y208 I230 T231 T232 | L161-M164 HydrophobicContact CB-CB 4.35Å; L161-M164 HydrophobicContact CB-SD 4.03Å; L161-M164 WeakPolarHBondContact O-CB 3.19Å; L161-M164 WeakPolarHBondContact O-CG 3.37Å; L161-M164 PolarHBondContact O-N 3.08Å; L161-M164 VanDerWaalsContact O-N 3.12Å; G162-M164 PolarHBondContact O-N 2.95Å; M164-R166 VanDerWaalsContact C-N 3.28Å; M164-R166 HydrophobicContact CB-CB 4.3Å; M164-R166 HydrophobicContact CB-CG 4.21Å; M164-R166 WeakPolarHBondContact O-CG 3.44Å; M164-R166 PolarHBondContact O-N 2.95Å; M164-Y208 PolarHBondContact SD-OH 3.35Å; M164-I230 HydrophobicContact CE-CG2 4.04Å; M164-I230 HydrophobicContact SD-CG2 4.2Å; M164-T231 VanDerWaalsContact CE-C 3.46Å; M164-T232 HydrophobicContact CB-CG2 4.22Å; M164-T232 HydrophobicContact CE-CG2 3.59Å; M164-T232 HydrophobicContact CG-CG2 4.44Å |
| 165 | K | 94.1 | Very high | 95.4 | Very high | 111 Ų | 111 | 39.3 Ų | 39.3 | 48% | 0.483 | 18% | 0.178 | S | C | . | . | S | Bend | trans | 54.7 | 42.2 | -170.2 | -62.4 | -172.4 | 165.3 | -154.9 | 0 | 113.1 | N163 Q185 E186 | N163-K165 PolarHBondContact O-N 2.85Å; N163-K165 VanDerWaalsContact O-N 3.14Å; K165-Q185 VanDerWaalsContact CA-OE1 3.31Å; K165-Q185 HydrophobicContact CB-CG 4.23Å; K165-Q185 PolarHBondContact O-N 3.33Å; K165-E186 IonicContact NZ-OE1 3.52Å; K165-E186 PolarHBondContact NZ-OE1 2.85Å |
| 166 | R | 97.1 | Very high | 95.3 | Very high | 49 Ų | 49 | 43.9 Ų | 43.9 | 19% | 0.185 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 153.3 | -176.5 | -64.2 | -68.2 | 178.3 | -106.3 | 10.3 | 110.4 | L161 M164 F182 W183 D184 | L161-R166 HydrophobicContact CB-CB 4.23Å; L161-R166 HydrophobicContact CD1-CB 3.81Å; L161-R166 HydrophobicContact CG-CB 4.38Å; L161-R166 PolarHBondContact N-O 2.75Å; M164-R166 VanDerWaalsContact C-N 3.28Å; M164-R166 HydrophobicContact CB-CB 4.3Å; M164-R166 HydrophobicContact CB-CG 4.21Å; M164-R166 WeakPolarHBondContact O-CG 3.44Å; M164-R166 PolarHBondContact O-N 2.95Å; R166-F182 HydrophobicContact CB-CE1 4.32Å; R166-F182 HydrophobicContact CB-CE2 4.03Å; R166-F182 HydrophobicContact CB-CZ 3.78Å; R166-F182 HydrophobicContact CG-CE1 3.79Å; R166-F182 HydrophobicContact CG-CE2 4.26Å; R166-F182 HydrophobicContact CG-CZ 3.49Å; R166-F182 VanDerWaalsContact CG-CZ 3.49Å; R166-W183 WeakPolarHBondContact CA-O 3.39Å; R166-W183 WeakPolarHBondContact CD-O 3.16Å; R166-D184 IonicContact CZ-OD2 2.85Å; R166-D184 IonicContact NH1-OD1 3.45Å; R166-D184 PolarHBondContact NH1-OD1 3.21Å; R166-D184 IonicContact NH1-OD2 2.88Å; R166-D184 PolarHBondContact NH1-OD2 2.98Å; R166-D184 IonicContact NH2-OD2 3.64Å |
| 167 | L | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 149.2 | 168.6 | -51.6 | 174.4 | 0 | 0 | 0 | 109.6 | A125 L133 V135 V158 V159 F160 W183 Q185 L188 | A125-L167 HydrophobicContact CB-CD1 4.32Å; A125-L167 HydrophobicContact CB-CD2 3.97Å; L133-L167 HydrophobicContact CD2-CD1 4.21Å; V135-L167 HydrophobicContact CG2-CD1 3.8Å; V158-L167 HydrophobicContact CG2-CB 4.23Å; V158-L167 HydrophobicContact CG2-CD1 4.35Å; V158-L167 HydrophobicContact CG2-CD2 4.43Å; V159-L167 WeakPolarHBondContact O-CA 3.32Å; F160-L167 HydrophobicContact CB-CD2 4.26Å; F160-L167 HydrophobicContact CD1-CD2 3.24Å; F160-L167 HydrophobicContact CD2-CD2 3.87Å; F160-L167 HydrophobicContact CE1-CD2 3.39Å; F160-L167 HydrophobicContact CE2-CD2 4.06Å; F160-L167 HydrophobicContact CG-CD2 3.49Å; F160-L167 VanDerWaalsContact CG-CD2 3.49Å; F160-L167 HydrophobicContact CZ-CD2 3.82Å; L167-W183 HydrophobicContact CB-CB 4.16Å; L167-W183 PolarHBondContact N-O 3.33Å; L167-W183 PolarHBondContact O-N 2.8Å; L167-Q185 HydrophobicContact CD2-CB 4.43Å; L167-Q185 HydrophobicContact CG-CB 4.09Å; L167-L188 HydrophobicContact CD1-CD2 3.99Å |
| 168 | L | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 135.1 | 163.5 | -173.7 | 135.7 | 0 | 0 | 0 | 109.8 | V158 V159 L161 T170 A181 P206 L215 I230 | V158-L168 WeakPolarHBondContact CA-O 3.47Å; V159-L168 HydrophobicContact CG2-CB 3.99Å; V159-L168 HydrophobicContact CG2-CD2 4.33Å; V159-L168 PolarHBondContact N-O 3.2Å; V159-L168 PolarHBondContact O-N 3.13Å; L161-L168 HydrophobicContact CD1-CB 3.95Å; L161-L168 HydrophobicContact CD2-CB 3.8Å; L161-L168 HydrophobicContact CG-CB 4.19Å; L168-T170 HydrophobicContact CD2-CG2 4.26Å; L168-A181 WeakPolarHBondContact CA-O 3.42Å; L168-P206 HydrophobicContact CD2-CB 3.74Å; L168-P206 HydrophobicContact CD2-CG 4.42Å; L168-L215 HydrophobicContact CD1-CD1 4.4Å; L168-L215 HydrophobicContact CD1-CD2 3.42Å; L168-L215 VanDerWaalsContact CD1-CD2 3.42Å; L168-L215 HydrophobicContact CD1-CG 4.5Å; L168-L215 HydrophobicContact CD2-CD1 4Å; L168-L215 HydrophobicContact CD2-CD2 4.01Å; L168-L215 HydrophobicContact CG-CD2 4.37Å; L168-I230 HydrophobicContact CD1-CD1 4.42Å |
| 169 | T | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 144.8 | 172.7 | 59.7 | 0 | 0 | 0 | 0 | 111.2 | L133 H153 V155 R157 V158 I180 A181 W183 | L133-T169 HydrophobicContact CD1-CG2 4.13Å; L133-T169 HydrophobicContact CD2-CG2 3.9Å; H153-T169 PolarHBondContact CD2-OG1 3.41Å; H153-T169 PolarHBondContact NE2-OG1 3.45Å; V155-T169 HydrophobicContact CG1-CG2 3.65Å; V155-T169 HydrophobicContact CG2-CG2 3.99Å; R157-T169 WeakPolarHBondContact O-CA 3.41Å; R157-T169 WeakPolarHBondContact O-CB 3.23Å; V158-T169 HydrophobicContact CB-CG2 4.13Å; V158-T169 HydrophobicContact CG2-CG2 4.08Å; T169-I180 CarbonylContact O-C 3.51Å; T169-I180 WeakPolarHBondContact O-CA 3.05Å; T169-A181 PolarHBondContact N-O 3.41Å; T169-A181 PolarHBondContact O-N 2.87Å; T169-A181 WeakPolarHBondContact OG1-CB 3.3Å; T169-A181 PolarHBondContact OG1-O 2.95Å; T169-W183 PolarHBondContact OG1-NE1 3.49Å |
| 170 | T | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 145.7 | 160.6 | 69.6 | 0 | 0 | 0 | 0 | 108.9 | N156 R157 L168 Q179 I180 L204 P206 L217 | N156-T170 PolarHBondContact N-O 3.42Å; R157-T170 WeakPolarHBondContact CB-OG1 3.39Å; R157-T170 PolarHBondContact N-O 3.26Å; R157-T170 VanDerWaalsContact N-O 3.1Å; R157-T170 PolarHBondContact O-N 3.24Å; L168-T170 HydrophobicContact CD2-CG2 4.26Å; T170-Q179 WeakPolarHBondContact CA-O 3.45Å; T170-I180 HydrophobicContact CG2-CG2 3.97Å; T170-L204 WeakPolarHBondContact CB-O 3.49Å; T170-L204 HydrophobicContact CG2-CB 4.41Å; T170-L204 HydrophobicContact CG2-CD2 4.19Å; T170-L204 HydrophobicContact CG2-CG 4.16Å; T170-L204 PolarHBondContact OG1-O 3.44Å; T170-P206 HydrophobicContact CG2-CB 3.78Å; T170-P206 HydrophobicContact CG2-CG 3.73Å; T170-L217 HydrophobicContact CG2-CD2 3.96Å |
| 171 | G | 95.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.3 | -161.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H153 R154 R178 Q179 | H153-G171 VanDerWaalsContact CE1-CA 3.47Å; H153-G171 WeakPolarHBondContact CE1-CA 3.31Å; H153-G171 PolarHBondContact CE1-N 2.91Å; R154-G171 CarbonylContact O-C 3.58Å; R154-G171 WeakPolarHBondContact O-CA 3.41Å; G171-R178 WeakPolarHBondContact O-CA 3.38Å; G171-Q179 PolarHBondContact N-O 3.2Å; G171-Q179 PolarHBondContact O-N 3.14Å |
| 172 | V | 94.1 | Very high | 94.9 | Very high | 32 Ų | 32 | 39.6 Ų | 39.6 | 19% | 0.194 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.8 | 171.7 | -67 | 0 | 0 | 0 | 0 | 109.7 | R154 T177 | R154-V172 HydrophobicContact CB-CG2 3.8Å; R154-V172 HydrophobicContact CG-CG2 4.47Å; R154-V172 PolarHBondContact N-O 2.95Å; R154-V172 VanDerWaalsContact NE-CG2 3.32Å; R154-V172 VanDerWaalsContact NH2-CG2 3.32Å; R154-V172 PolarHBondContact O-N 3.39Å; V172-T177 CarbonylContact C-O 3.4Å; V172-T177 VanDerWaalsContact CA-O 3.29Å; V172-T177 WeakPolarHBondContact CA-O 3.36Å |
| 173 | S | 93 | Very high | 95.1 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 173.6 | 176.3 | 81.7 | 0 | 0 | 0 | 0 | 111.1 | N152 W175 N176 T177 | N152-S173 CarbonylContact O-C 3.57Å; N152-S173 VanDerWaalsContact O-CA 3.25Å; N152-S173 WeakPolarHBondContact O-CA 3.19Å; S173-W175 PolarHBondContact O-N 2.88Å; S173-W175 PolarHBondContact OG-N 2.79Å; S173-N176 PolarHBondContact O-N 2.8Å; S173-T177 WeakPolarHBondContact CB-OG1 3.41Å; S173-T177 PolarHBondContact N-O 3.34Å; S173-T177 PolarHBondContact OG-N 3.04Å; S173-T177 PolarHBondContact OG-OG1 3.12Å |
| 174 | R | 90 | Very high | 95.4 | Very high | 144 Ų | 144 | 35.3 Ų | 35.3 | 54% | 0.543 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.9 | 170.5 | 65.5 | 177 | -67.4 | 171.1 | -0.7 | 113.5 | N152 N176 | N152-R174 PolarHBondContact O-N 3.22Å; R174-N176 VanDerWaalsContact C-N 3.34Å |
| 175 | W | 90.9 | Very high | 95.4 | Very high | 179 Ų | 179 | 35 Ų | 35 | 68% | 0.678 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 9.4 | 179.3 | -51 | 117.3 | 0 | 0 | 0 | 112.5 | S173 T177 | S173-W175 PolarHBondContact O-N 2.88Å; S173-W175 PolarHBondContact OG-N 2.79Å; W175-T177 PolarHBondContact O-N 3.04Å |
| 176 | N | 91.2 | Very high | 95.5 | Very high | 105 Ų | 105 | 34.9 Ų | 34.9 | 56% | 0.561 | 16% | 0.157 | S | C | * | . | S | Bend | trans | 59.4 | 25.2 | -175.6 | -58.5 | -41.9 | 0 | 0 | 0 | 114 | R154 S173 R174 | R154-N176 PolarHBondContact NH2-OD1 3.48Å; S173-N176 PolarHBondContact O-N 2.8Å; R174-N176 VanDerWaalsContact C-N 3.34Å |
| 177 | T | 95.4 | Very high | 95.5 | Very high | 30 Ų | 30 | 36.2 Ų | 36.2 | 18% | 0.184 | 17% | 0.168 | C | C | . | . | trans | -83.5 | 144.7 | 165 | 51 | 0 | 0 | 0 | 0 | 109.2 | V172 S173 W175 Q179 D196 D198 | V172-T177 CarbonylContact C-O 3.4Å; V172-T177 VanDerWaalsContact CA-O 3.29Å; V172-T177 WeakPolarHBondContact CA-O 3.36Å; S173-T177 WeakPolarHBondContact CB-OG1 3.41Å; S173-T177 PolarHBondContact N-O 3.34Å; S173-T177 PolarHBondContact OG-N 3.04Å; S173-T177 PolarHBondContact OG-OG1 3.12Å; W175-T177 PolarHBondContact O-N 3.04Å; T177-Q179 PolarHBondContact O-N 3.01Å; T177-D196 PolarHBondContact OG1-OD1 3.32Å; T177-D196 PolarHBondContact OG1-OD2 3.26Å; T177-D198 CarbonylContact C-O 3.57Å; T177-D198 WeakPolarHBondContact CA-O 3.35Å | ||
| 178 | R | 96.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 132.3 | 168.3 | -56.8 | -166.8 | -61 | 177.9 | -1.8 | 107.5 | G171 I197 D198 L200 G202 L204 D222 | G171-R178 WeakPolarHBondContact O-CA 3.38Å; R178-I197 HydrophobicContact CB-CB 4.47Å; R178-I197 PolarHBondContact O-N 3.48Å; R178-D198 IonicContact CZ-OD1 3.24Å; R178-D198 VanDerWaalsContact CZ-OD1 3.26Å; R178-D198 IonicContact CZ-OD2 2.69Å; R178-D198 PolarHBondContact N-O 3.44Å; R178-D198 IonicContact NE-OD1 2.92Å; R178-D198 PolarHBondContact NE-OD1 3.28Å; R178-D198 IonicContact NE-OD2 3.11Å; R178-D198 VanDerWaalsContact NH2-CG 3.31Å; R178-D198 IonicContact NH2-OD1 2.91Å; R178-D198 PolarHBondContact NH2-OD1 2.65Å; R178-D198 IonicContact NH2-OD2 2.58Å; R178-D198 PolarHBondContact NH2-OD2 3.1Å; R178-L200 WeakPolarHBondContact CD-O 3.18Å; R178-L200 WeakPolarHBondContact CG-O 3.26Å; R178-G202 WeakPolarHBondContact CD-O 3.49Å; R178-G202 PolarHBondContact NH1-O 3.19Å; R178-G202 VanDerWaalsContact NH1-O 3.11Å; R178-L204 HydrophobicContact CB-CD2 4.45Å; R178-D222 IonicContact CZ-OD2 3.25Å; R178-D222 VanDerWaalsContact CZ-OD2 3.23Å; R178-D222 IonicContact NH1-OD1 3.92Å; R178-D222 PolarHBondContact NH1-OD1 3.44Å; R178-D222 IonicContact NH1-OD2 2.77Å; R178-D222 PolarHBondContact NH1-OD2 3.46Å; R178-D222 IonicContact NH2-OD1 2.7Å; R178-D222 IonicContact NH2-OD2 3.16Å; R178-D222 PolarHBondContact NH2-OD2 2.87Å |
| 179 | Q | 95.9 | Very high | 95 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 7% | 0.065 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 149.1 | -172.3 | -175.1 | 178.2 | 60.9 | 0 | 0 | 109.1 | H153 T170 G171 T177 E195 D196 | H153-Q179 PolarHBondContact CE1-O 2.95Å; H153-Q179 PolarHBondContact ND1-OE1 3.2Å; T170-Q179 WeakPolarHBondContact CA-O 3.45Å; G171-Q179 PolarHBondContact N-O 3.2Å; G171-Q179 PolarHBondContact O-N 3.14Å; T177-Q179 PolarHBondContact O-N 3.01Å; Q179-E195 WeakPolarHBondContact CA-O 3.49Å; Q179-E195 WeakPolarHBondContact CG-O 3.49Å; Q179-D196 WeakPolarHBondContact CG-OD1 3.35Å; Q179-D196 PolarHBondContact NE2-OD1 2.98Å |
| 180 | I | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 149.8 | 164.1 | 63.9 | 179.3 | 0 | 0 | 0 | 110.1 | T169 T170 E194 E195 I197 L204 L217 I237 | T169-I180 CarbonylContact O-C 3.51Å; T169-I180 WeakPolarHBondContact O-CA 3.05Å; T170-I180 HydrophobicContact CG2-CG2 3.97Å; I180-E194 WeakPolarHBondContact O-CA 3.06Å; I180-E195 HydrophobicContact CD1-CB 4.33Å; I180-E195 HydrophobicContact CG1-CB 3.9Å; I180-E195 PolarHBondContact N-O 2.87Å; I180-E195 PolarHBondContact O-N 2.93Å; I180-I197 HydrophobicContact CD1-CD1 3.9Å; I180-I197 HydrophobicContact CG1-CD1 3.98Å; I180-I197 HydrophobicContact CG1-CG1 4.49Å; I180-I197 HydrophobicContact CG2-CD1 4.18Å; I180-I197 HydrophobicContact CG2-CG1 4.03Å; I180-L204 HydrophobicContact CG2-CD2 4.2Å; I180-L217 HydrophobicContact CD1-CD1 4.14Å; I180-L217 HydrophobicContact CG2-CD1 3.61Å; I180-L217 HydrophobicContact CG2-CD2 4.34Å; I180-I237 HydrophobicContact CD1-CD1 3.74Å; I180-I237 HydrophobicContact CD1-CG2 4.03Å; I180-I237 HydrophobicContact CG1-CD1 4.21Å |
| 181 | A | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 140 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L168 T169 W183 P191 V193 E194 | L168-A181 WeakPolarHBondContact CA-O 3.42Å; T169-A181 PolarHBondContact N-O 3.41Å; T169-A181 PolarHBondContact O-N 2.87Å; T169-A181 WeakPolarHBondContact OG1-CB 3.3Å; T169-A181 PolarHBondContact OG1-O 2.95Å; A181-W183 HydrophobicContact CB-CZ2 3.91Å; A181-W183 VanDerWaalsContact O-CD1 3.3Å; A181-W183 PolarHBondContact O-NE1 2.99Å; A181-P191 HydrophobicContact CB-CB 3.99Å; A181-V193 CarbonylContact C-O 3.46Å; A181-V193 WeakPolarHBondContact CA-O 3.22Å; A181-E194 HydrophobicContact CB-CG 3.96Å |
| 182 | F | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 131 | 178.9 | -167.7 | -107.2 | 0 | 0 | 0 | 108.9 | L161 R166 P191 I192 V193 I230 Y236 I237 | L161-F182 HydrophobicContact CD1-CD2 3.68Å; L161-F182 HydrophobicContact CD1-CE2 3.23Å; L161-F182 HydrophobicContact CD1-CZ 4.22Å; R166-F182 HydrophobicContact CB-CE1 4.32Å; R166-F182 HydrophobicContact CB-CE2 4.03Å; R166-F182 HydrophobicContact CB-CZ 3.78Å; R166-F182 HydrophobicContact CG-CE1 3.79Å; R166-F182 HydrophobicContact CG-CE2 4.26Å; R166-F182 HydrophobicContact CG-CZ 3.49Å; R166-F182 VanDerWaalsContact CG-CZ 3.49Å; F182-P191 CarbonylContact O-C 3.41Å; F182-P191 WeakPolarHBondContact O-CA 3.37Å; F182-I192 HydrophobicContact CD1-CB 3.96Å; F182-I192 HydrophobicContact CD1-CD1 3.74Å; F182-I192 HydrophobicContact CD1-CG1 4.4Å; F182-I192 HydrophobicContact CD1-CG2 4.12Å; F182-I192 HydrophobicContact CE1-CD1 3.95Å; F182-I192 PolarHBondContact O-N 3.1Å; F182-V193 HydrophobicContact CB-CB 4.45Å; F182-V193 PolarHBondContact N-O 3.3Å; F182-I230 HydrophobicContact CE2-CG2 3.68Å; F182-I230 HydrophobicContact CZ-CG2 4.39Å; F182-Y236 HydrophobicContact CD1-CD1 4.45Å; F182-Y236 HydrophobicContact CD1-CG 4.39Å; F182-Y236 AromaticContact CE1-CD1 3.96Å; F182-Y236 HydrophobicContact CE1-CD1 3.96Å; F182-Y236 HydrophobicContact CE1-CG 4.28Å; F182-I237 HydrophobicContact CB-CD1 4.22Å |
| 183 | W | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 148 | -170.7 | -53.9 | 80.6 | 0 | 0 | 0 | 111.6 | L133 Y150 R166 L167 T169 A181 L188 P191 | L133-W183 HydrophobicContact CD2-CD2 4.17Å; L133-W183 HydrophobicContact CD2-CG 4.3Å; Y150-W183 AromaticContact CD1-CH2 3.82Å; Y150-W183 HydrophobicContact CD1-CH2 3.82Å; Y150-W183 HydrophobicContact CE1-CH2 4.31Å; Y150-W183 HydrophobicContact CG-CH2 4.35Å; R166-W183 WeakPolarHBondContact CA-O 3.39Å; R166-W183 WeakPolarHBondContact CD-O 3.16Å; L167-W183 HydrophobicContact CB-CB 4.16Å; L167-W183 PolarHBondContact N-O 3.33Å; L167-W183 PolarHBondContact O-N 2.8Å; T169-W183 PolarHBondContact OG1-NE1 3.49Å; A181-W183 HydrophobicContact CB-CZ2 3.91Å; A181-W183 VanDerWaalsContact O-CD1 3.3Å; A181-W183 PolarHBondContact O-NE1 2.99Å; W183-L188 HydrophobicContact CB-CD2 4.08Å; W183-L188 HydrophobicContact CE3-CD2 4.25Å; W183-L188 HydrophobicContact CG-CD2 4.49Å; W183-P191 HydrophobicContact CD2-CB 4.04Å; W183-P191 HydrophobicContact CE3-CB 4.05Å; W183-P191 HydrophobicContact CH2-CB 3.94Å; W183-P191 HydrophobicContact CH2-CG 4.04Å; W183-P191 HydrophobicContact CZ2-CB 3.92Å; W183-P191 HydrophobicContact CZ2-CG 4.32Å; W183-P191 HydrophobicContact CZ3-CB 4.02Å; W183-P191 HydrophobicContact CZ3-CG 4.31Å; W183-P191 VanDerWaalsContact CZ3-N 3.31Å |
| 184 | D | 95.9 | Very high | 94.6 | Very high | 41 Ų | 41 | 52 Ų | 52 | 22% | 0.219 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 127.8 | 158.6 | -159.8 | -45.1 | 0 | 0 | 0 | 108.6 | R166 E186 D187 L188 I192 | R166-D184 IonicContact CZ-OD2 2.85Å; R166-D184 IonicContact NH1-OD1 3.45Å; R166-D184 PolarHBondContact NH1-OD1 3.21Å; R166-D184 IonicContact NH1-OD2 2.88Å; R166-D184 PolarHBondContact NH1-OD2 2.98Å; R166-D184 IonicContact NH2-OD2 3.64Å; D184-E186 PolarHBondContact O-N 3.48Å; D184-E186 PolarHBondContact OD1-N 2.78Å; D184-D187 HydrophobicContact CB-CB 4.42Å; D184-D187 CarbonylContact O-C 3.58Å; D184-D187 PolarHBondContact O-N 3.14Å; D184-D187 VanDerWaalsContact O-O 3.07Å; D184-L188 WeakPolarHBondContact O-CD2 3.31Å; D184-I192 HydrophobicContact CB-CD1 4.2Å |
| 185 | Q | 95.8 | Very high | 94.8 | Very high | 20 Ų | 20 | 48.2 Ų | 48.2 | 9% | 0.093 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -23.4 | 178.8 | 76.3 | 178.4 | 29.4 | 0 | 0 | 112.4 | Q145 F160 K165 L167 | Q145-Q185 WeakPolarHBondContact CG-O 3.48Å; F160-Q185 HydrophobicContact CE1-CB 4.27Å; K165-Q185 VanDerWaalsContact CA-OE1 3.31Å; K165-Q185 HydrophobicContact CB-CG 4.23Å; K165-Q185 PolarHBondContact O-N 3.33Å; L167-Q185 HydrophobicContact CD2-CB 4.43Å; L167-Q185 HydrophobicContact CG-CB 4.09Å |
| 186 | E | 96.1 | Very high | 95.1 | Very high | 109 Ų | 109 | 43.7 Ų | 43.7 | 51% | 0.509 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -10.4 | -178.7 | -61.3 | -179.7 | -170.9 | 0 | 0 | 111.9 | Q145 K165 D184 | Q145-E186 PolarHBondContact NE2-O 2.78Å; K165-E186 IonicContact NZ-OE1 3.52Å; K165-E186 PolarHBondContact NZ-OE1 2.85Å; D184-E186 PolarHBondContact O-N 3.48Å; D184-E186 PolarHBondContact OD1-N 2.78Å |
| 187 | D | 95.1 | Very high | 95.3 | Very high | 77 Ų | 77 | 40.2 Ų | 40.2 | 41% | 0.412 | 21% | 0.211 | S | C | . | . | B | Isolated β-bridge | trans | -144 | 102.4 | 175 | -176.5 | 5 | 0 | 0 | 0 | 111.9 | D184 S189 | D184-D187 HydrophobicContact CB-CB 4.42Å; D184-D187 CarbonylContact O-C 3.58Å; D184-D187 PolarHBondContact O-N 3.14Å; D184-D187 VanDerWaalsContact O-O 3.07Å; D187-S189 VanDerWaalsContact CG-OG 3.29Å; D187-S189 WeakPolarHBondContact OD1-CB 3.34Å; D187-S189 PolarHBondContact OD1-N 3.27Å; D187-S189 PolarHBondContact OD1-OG 3.01Å; D187-S189 PolarHBondContact OD2-OG 3.25Å |
| 188 | L | 94.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | trans | -93.9 | 16.7 | 176.7 | -61.3 | -172.3 | 0 | 0 | 0 | 113.8 | L133 V135 Q145 L167 W183 D184 | L133-L188 HydrophobicContact CB-CD1 4.32Å; L133-L188 HydrophobicContact CD2-CD1 3.97Å; L133-L188 HydrophobicContact CD2-CD2 3.83Å; L133-L188 HydrophobicContact CD2-CG 4.49Å; L133-L188 HydrophobicContact CG-CD1 3.82Å; V135-L188 HydrophobicContact CG2-CD1 4.16Å; Q145-L188 HydrophobicContact CB-CB 4.41Å; Q145-L188 HydrophobicContact CB-CD1 3.87Å; Q145-L188 HydrophobicContact CB-CG 3.82Å; L167-L188 HydrophobicContact CD1-CD2 3.99Å; W183-L188 HydrophobicContact CB-CD2 4.08Å; W183-L188 HydrophobicContact CE3-CD2 4.25Å; W183-L188 HydrophobicContact CG-CD2 4.49Å; D184-L188 WeakPolarHBondContact O-CD2 3.31Å | ||
| 189 | S | 92.3 | Very high | 95.2 | Very high | 68 Ų | 68 | 42.9 Ų | 42.9 | 48% | 0.476 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -65.2 | -40.1 | 179.3 | 65.2 | 0 | 0 | 0 | 0 | 112.1 | D187 | D187-S189 VanDerWaalsContact CG-OG 3.29Å; D187-S189 WeakPolarHBondContact OD1-CB 3.34Å; D187-S189 PolarHBondContact OD1-N 3.27Å; D187-S189 PolarHBondContact OD1-OG 3.01Å; D187-S189 PolarHBondContact OD2-OG 3.25Å |
| 190 | M | 92.1 | Very high | 95.2 | Very high | 127 Ų | 127 | 46.2 Ų | 46.2 | 63% | 0.626 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -150.3 | 149.6 | 178.2 | 59.4 | -175.1 | -70.3 | 0 | 0 | 111.9 | ||
| 191 | P | 94.5 | Very high | 94.9 | Very high | 12 Ų | 12 | 52.4 Ų | 52.4 | 8% | 0.078 | 30% | 0.3 | C | S | . | . | trans | -70.2 | 147.6 | 173.3 | 29.3 | -32.3 | 0 | 0 | 0 | 110.6 | Y150 A181 F182 W183 E194 | Y150-P191 HydrophobicContact CE1-CG 4.2Å; Y150-P191 HydrophobicContact CE2-CG 4.49Å; A181-P191 HydrophobicContact CB-CB 3.99Å; F182-P191 CarbonylContact O-C 3.41Å; F182-P191 WeakPolarHBondContact O-CA 3.37Å; W183-P191 HydrophobicContact CD2-CB 4.04Å; W183-P191 HydrophobicContact CE3-CB 4.05Å; W183-P191 HydrophobicContact CH2-CB 3.94Å; W183-P191 HydrophobicContact CH2-CG 4.04Å; W183-P191 HydrophobicContact CZ2-CB 3.92Å; W183-P191 HydrophobicContact CZ2-CG 4.32Å; W183-P191 HydrophobicContact CZ3-CB 4.02Å; W183-P191 HydrophobicContact CZ3-CG 4.31Å; W183-P191 VanDerWaalsContact CZ3-N 3.31Å; P191-E194 HydrophobicContact CB-CG 3.85Å; P191-E194 HydrophobicContact CG-CG 3.45Å; P191-E194 VanDerWaalsContact CG-CG 3.45Å | ||
| 192 | I | 95.3 | Very high | 94.8 | Very high | 59 Ų | 59 | 53.1 Ų | 53.1 | 30% | 0.303 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -68.3 | -45.8 | 172.9 | -62.6 | 170 | 0 | 0 | 0 | 109.7 | F182 D184 Y236 | F182-I192 HydrophobicContact CD1-CB 3.96Å; F182-I192 HydrophobicContact CD1-CD1 3.74Å; F182-I192 HydrophobicContact CD1-CG1 4.4Å; F182-I192 HydrophobicContact CD1-CG2 4.12Å; F182-I192 HydrophobicContact CE1-CD1 3.95Å; F182-I192 PolarHBondContact O-N 3.1Å; D184-I192 HydrophobicContact CB-CD1 4.2Å; I192-Y236 HydrophobicContact CG2-CD2 4.14Å; I192-Y236 HydrophobicContact CG2-CE1 4.19Å; I192-Y236 HydrophobicContact CG2-CE2 3.74Å |
| 193 | V | 94.9 | Very high | 94.6 | Very high | 34 Ų | 34 | 55.9 Ų | 55.9 | 21% | 0.206 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 146.4 | 177.7 | 157.8 | 0 | 0 | 0 | 0 | 109.5 | A181 F182 E195 Y236 I237 | A181-V193 CarbonylContact C-O 3.46Å; A181-V193 WeakPolarHBondContact CA-O 3.22Å; F182-V193 HydrophobicContact CB-CB 4.45Å; F182-V193 PolarHBondContact N-O 3.3Å; V193-E195 HydrophobicContact CG1-CG 3.94Å; V193-Y236 HydrophobicContact CB-CD2 4.45Å; V193-Y236 HydrophobicContact CG2-CD2 3.59Å; V193-Y236 HydrophobicContact CG2-CE2 3.99Å; V193-I237 HydrophobicContact CG1-CD1 4.23Å |
| 194 | E | 93.9 | Very high | 94.6 | Very high | 69 Ų | 69 | 56.1 Ų | 56.1 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 137.2 | 169.2 | -60.3 | -178.8 | 114.5 | 0 | 0 | 109.8 | Y150 I180 A181 P191 | Y150-E194 WeakPolarHBondContact CE1-OE1 3.35Å; Y150-E194 PolarHBondContact OH-OE1 3.2Å; Y150-E194 PolarHBondContact OH-OE2 3.16Å; I180-E194 WeakPolarHBondContact O-CA 3.06Å; A181-E194 HydrophobicContact CB-CG 3.96Å; P191-E194 HydrophobicContact CB-CG 3.85Å; P191-E194 HydrophobicContact CG-CG 3.45Å; P191-E194 VanDerWaalsContact CG-CG 3.45Å |
| 195 | E | 94.4 | Very high | 94.7 | Very high | 64 Ų | 64 | 56.8 Ų | 56.8 | 30% | 0.299 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 125.4 | 175.9 | -63 | -166.6 | 160.7 | 0 | 0 | 110.5 | Q179 I180 V193 | Q179-E195 WeakPolarHBondContact CA-O 3.49Å; Q179-E195 WeakPolarHBondContact CG-O 3.49Å; I180-E195 HydrophobicContact CD1-CB 4.33Å; I180-E195 HydrophobicContact CG1-CB 3.9Å; I180-E195 PolarHBondContact N-O 2.87Å; I180-E195 PolarHBondContact O-N 2.93Å; V193-E195 HydrophobicContact CG1-CG 3.94Å |
| 196 | D | 95.4 | Very high | 94.8 | Very high | 83 Ų | 83 | 56.4 Ų | 56.4 | 44% | 0.444 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 127.4 | 169.9 | -82 | 11 | 0 | 0 | 0 | 109.1 | T177 Q179 | T177-D196 PolarHBondContact OG1-OD1 3.32Å; T177-D196 PolarHBondContact OG1-OD2 3.26Å; Q179-D196 WeakPolarHBondContact CG-OD1 3.35Å; Q179-D196 PolarHBondContact NE2-OD1 2.98Å |
| 197 | I | 96.1 | Very high | 94.9 | Very high | 32 Ų | 32 | 53 Ų | 53 | 16% | 0.164 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -56.9 | -175.5 | -57.4 | -58 | 0 | 0 | 0 | 110.9 | R178 I180 L204 L217 F228 | R178-I197 HydrophobicContact CB-CB 4.47Å; R178-I197 PolarHBondContact O-N 3.48Å; I180-I197 HydrophobicContact CD1-CD1 3.9Å; I180-I197 HydrophobicContact CG1-CD1 3.98Å; I180-I197 HydrophobicContact CG1-CG1 4.49Å; I180-I197 HydrophobicContact CG2-CD1 4.18Å; I180-I197 HydrophobicContact CG2-CG1 4.03Å; I197-L204 HydrophobicContact CG1-CD2 4.08Å; I197-L217 HydrophobicContact CD1-CD1 4.05Å; I197-L217 HydrophobicContact CG1-CD1 4.38Å; I197-F228 HydrophobicContact CD1-CZ 4.22Å |
| 198 | D | 95.6 | Very high | 95.1 | Very high | 29 Ų | 29 | 51 Ų | 51 | 16% | 0.155 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.5 | 176.8 | 178.2 | 56.1 | 46.4 | 0 | 0 | 0 | 111.4 | T177 R178 L200 R226 | T177-D198 CarbonylContact C-O 3.57Å; T177-D198 WeakPolarHBondContact CA-O 3.35Å; R178-D198 IonicContact CZ-OD1 3.24Å; R178-D198 VanDerWaalsContact CZ-OD1 3.26Å; R178-D198 IonicContact CZ-OD2 2.69Å; R178-D198 PolarHBondContact N-O 3.44Å; R178-D198 IonicContact NE-OD1 2.92Å; R178-D198 PolarHBondContact NE-OD1 3.28Å; R178-D198 IonicContact NE-OD2 3.11Å; R178-D198 VanDerWaalsContact NH2-CG 3.31Å; R178-D198 IonicContact NH2-OD1 2.91Å; R178-D198 PolarHBondContact NH2-OD1 2.65Å; R178-D198 IonicContact NH2-OD2 2.58Å; R178-D198 PolarHBondContact NH2-OD2 3.1Å; D198-L200 WeakPolarHBondContact OD1-CB 3.22Å; D198-L200 WeakPolarHBondContact OD1-CG 3.39Å; D198-L200 PolarHBondContact OD1-N 3.24Å; D198-L200 VanDerWaalsContact OD1-N 3.09Å; D198-R226 IonicContact OD2-CZ 2.74Å; D198-R226 VanDerWaalsContact OD2-CZ 3.25Å; D198-R226 IonicContact OD2-NH1 3.12Å; D198-R226 PolarHBondContact OD2-NH1 3.49Å; D198-R226 IonicContact OD2-NH2 2.84Å; D198-R226 PolarHBondContact OD2-NH2 3.22Å |
| 199 | G | 95.3 | Very high | 95.2 | Very high | 62 Ų | 62 | 51.3 Ų | 51.3 | 64% | 0.639 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -90.7 | 17 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 200 | L | 94.8 | Very high | 95.4 | Very high | 83 Ų | 83 | 50.1 Ų | 50.1 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | trans | -75.4 | 158.4 | -179.7 | -56.7 | -178.5 | 0 | 0 | 0 | 111.4 | R178 D198 | R178-L200 WeakPolarHBondContact CD-O 3.18Å; R178-L200 WeakPolarHBondContact CG-O 3.26Å; D198-L200 WeakPolarHBondContact OD1-CB 3.22Å; D198-L200 WeakPolarHBondContact OD1-CG 3.39Å; D198-L200 PolarHBondContact OD1-N 3.24Å; D198-L200 VanDerWaalsContact OD1-N 3.09Å | ||
| 201 | S | 91.8 | Very high | 95.6 | Very high | 130 Ų | 130 | 45.8 Ų | 45.8 | 91% | 0.909 | 27% | 0.269 | S | S | * | . | trans | -97.5 | -14.8 | -175.9 | 59 | 0 | 0 | 0 | 0 | 114.4 | L203 | S201-L203 PolarHBondContact O-N 3.48Š| ||
| 202 | G | 92.4 | Very high | 95.7 | Very high | 15 Ų | 15 | 46.8 Ų | 46.8 | 16% | 0.155 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -65.7 | 131.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R178 L204 K220 | R178-G202 WeakPolarHBondContact CD-O 3.49Å; R178-G202 PolarHBondContact NH1-O 3.19Å; R178-G202 VanDerWaalsContact NH1-O 3.11Å; G202-L204 PolarHBondContact O-N 2.95Å; G202-L204 VanDerWaalsContact O-N 3.17Å; G202-K220 WeakPolarHBondContact CA-O 3.38Å |
| 203 | L | 93.8 | Very high | 95.8 | Very high | 58 Ų | 58 | 47.9 Ų | 47.9 | 30% | 0.304 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 122.9 | 175.3 | 176.4 | 60.6 | 0 | 0 | 0 | 109.9 | N156 S201 F205 G219 K220 | N156-L203 HydrophobicContact CB-CD1 3.27Å; S201-L203 PolarHBondContact O-N 3.48Å; L203-F205 HydrophobicContact CB-CE2 4.03Å; L203-F205 HydrophobicContact CD2-CE1 4.41Å; L203-F205 HydrophobicContact CD2-CE2 3.82Å; L203-F205 HydrophobicContact CD2-CZ 3.67Å; L203-F205 HydrophobicContact CG-CD2 4.26Å; L203-F205 HydrophobicContact CG-CE2 3.74Å; L203-F205 HydrophobicContact CG-CZ 4.12Å; L203-F205 VanDerWaalsContact O-CD2 3.24Å; L203-F205 WeakPolarHBondContact O-CD2 3.22Å; L203-F205 WeakPolarHBondContact O-CE2 3.48Å; L203-G219 VanDerWaalsContact O-CA 3.29Å; L203-G219 WeakPolarHBondContact O-CA 3.32Å; L203-K220 PolarHBondContact O-N 2.81Å |
| 204 | L | 96.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 125.8 | -179.8 | -167.1 | 63.4 | 0 | 0 | 0 | 109.9 | T170 R178 I180 I197 G202 L217 | T170-L204 WeakPolarHBondContact CB-O 3.49Å; T170-L204 HydrophobicContact CG2-CB 4.41Å; T170-L204 HydrophobicContact CG2-CD2 4.19Å; T170-L204 HydrophobicContact CG2-CG 4.16Å; T170-L204 PolarHBondContact OG1-O 3.44Å; R178-L204 HydrophobicContact CB-CD2 4.45Å; I180-L204 HydrophobicContact CG2-CD2 4.2Å; I197-L204 HydrophobicContact CG1-CD2 4.08Å; G202-L204 PolarHBondContact O-N 2.95Å; G202-L204 VanDerWaalsContact O-N 3.17Å; L204-L217 HydrophobicContact CD1-CB 4.04Å; L204-L217 HydrophobicContact CD2-CB 4.41Å; L204-L217 HydrophobicContact CD2-CD1 4.1Å; L204-L217 HydrophobicContact CG-CB 4.31Å |
| 205 | F | 97.5 | Very high | 96.1 | Very high | 56 Ų | 56 | 44.2 Ų | 44.2 | 25% | 0.246 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 124.9 | 179 | -69.3 | -106 | 0 | 0 | 0 | 109.5 | L203 F207 A218 K220 | L203-F205 HydrophobicContact CB-CE2 4.03Å; L203-F205 HydrophobicContact CD2-CE1 4.41Å; L203-F205 HydrophobicContact CD2-CE2 3.82Å; L203-F205 HydrophobicContact CD2-CZ 3.67Å; L203-F205 HydrophobicContact CG-CD2 4.26Å; L203-F205 HydrophobicContact CG-CE2 3.74Å; L203-F205 HydrophobicContact CG-CZ 4.12Å; L203-F205 VanDerWaalsContact O-CD2 3.24Å; L203-F205 WeakPolarHBondContact O-CD2 3.22Å; L203-F205 WeakPolarHBondContact O-CE2 3.48Å; F205-F207 HydrophobicContact CB-CD2 4.34Å; F205-F207 HydrophobicContact CB-CE2 3.57Å; F205-F207 HydrophobicContact CB-CZ 3.93Å; F205-A218 WeakPolarHBondContact CB-O 3.34Å; F205-A218 PolarHBondContact N-O 2.9Å; F205-A218 PolarHBondContact O-N 3.4Å; F205-A218 VanDerWaalsContact O-N 3.1Å; F205-K220 HydrophobicContact CE2-CB 4.35Å |
| 206 | P | 98.3 | Very high | 96.3 | Very high | 12 Ų | 12 | 41.2 Ų | 41.2 | 8% | 0.078 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 131.1 | 169.6 | 33.3 | -29.6 | 0 | 0 | 0 | 110.3 | R157 V159 L168 T170 L215 L217 | R157-P206 HydrophobicContact CB-CG 3.88Å; V159-P206 HydrophobicContact CG1-CB 4.42Å; V159-P206 HydrophobicContact CG1-CG 3.88Å; V159-P206 HydrophobicContact CG2-CB 4Å; V159-P206 HydrophobicContact CG2-CG 4.06Å; L168-P206 HydrophobicContact CD2-CB 3.74Å; L168-P206 HydrophobicContact CD2-CG 4.42Å; T170-P206 HydrophobicContact CG2-CB 3.78Å; T170-P206 HydrophobicContact CG2-CG 3.73Å; P206-L215 HydrophobicContact CB-CD1 3.88Å; P206-L217 HydrophobicContact CB-CD2 3.99Å |
| 207 | F | 98.3 | Very high | 96.4 | Very high | 38 Ų | 38 | 37.4 Ų | 37.4 | 17% | 0.167 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 110.8 | 170.5 | -60.5 | -87.7 | 0 | 0 | 0 | 107.3 | F205 Y216 A218 L252 V254 Y268 F270 | F205-F207 HydrophobicContact CB-CD2 4.34Å; F205-F207 HydrophobicContact CB-CE2 3.57Å; F205-F207 HydrophobicContact CB-CZ 3.93Å; F207-Y216 PolarHBondContact N-O 3Å; F207-Y216 PolarHBondContact O-N 3.28Å; F207-A218 HydrophobicContact CD2-CB 4.46Å; F207-A218 HydrophobicContact CE2-CB 4.08Å; F207-L252 HydrophobicContact CE2-CD1 3.92Å; F207-L252 HydrophobicContact CZ-CB 4.03Å; F207-L252 HydrophobicContact CZ-CD1 4.24Å; F207-V254 HydrophobicContact CD1-CG2 3.57Å; F207-V254 HydrophobicContact CE1-CG2 3.75Å; F207-V254 HydrophobicContact CG-CG2 4.38Å; F207-Y268 HydrophobicContact CB-CE1 4.45Å; F207-Y268 WeakPolarHBondContact CB-OH 2.91Å; F207-F270 HydrophobicContact CB-CE1 4.33Å; F207-F270 HydrophobicContact CB-CZ 4.39Å; F207-F270 HydrophobicContact CD1-CE1 4.33Å; F207-F270 AromaticContact CD2-CE1 3.84Å; F207-F270 HydrophobicContact CD2-CE1 3.84Å; F207-F270 HydrophobicContact CD2-CZ 4.36Å; F207-F270 HydrophobicContact CE2-CE1 4.17Å; F207-F270 AromaticContact CG-CE1 3.92Å; F207-F270 HydrophobicContact CG-CE1 3.92Å; F207-F270 HydrophobicContact CG-CZ 4.41Å |
| 208 | Y | 98.2 | Very high | 96.5 | Very high | 34 Ų | 34 | 35.9 Ų | 35.9 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 134 | -176.8 | 179.4 | -108.7 | 0 | 0 | 0 | 110.4 | L161 M164 A210 H213 I230 | L161-Y208 VanDerWaalsContact CA-CE1 3.4Å; L161-Y208 HydrophobicContact CB-CD1 4.46Å; L161-Y208 HydrophobicContact CB-CE1 4.04Å; L161-Y208 HydrophobicContact CB-CE2 4.42Å; L161-Y208 HydrophobicContact CD2-CD1 4Å; L161-Y208 HydrophobicContact CD2-CD2 3.62Å; L161-Y208 HydrophobicContact CD2-CE1 4.3Å; L161-Y208 HydrophobicContact CD2-CE2 3.93Å; L161-Y208 HydrophobicContact CD2-CG 3.64Å; M164-Y208 PolarHBondContact SD-OH 3.35Å; Y208-A210 HydrophobicContact CD1-CB 4.38Å; Y208-A210 VanDerWaalsContact CE1-CA 3.48Å; Y208-A210 HydrophobicContact CE1-CB 3.84Å; Y208-H213 PolarHBondContact OH-ND1 3.48Å; Y208-I230 HydrophobicContact CE2-CB 4.23Å; Y208-I230 HydrophobicContact CE2-CG1 4.26Å |
| 209 | D | 97.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 107.6 | 173.8 | -174.9 | -5.9 | 0 | 0 | 0 | 108.7 | D211 T212 H213 M214 Y216 K257 Y268 | D209-D211 VanDerWaalsContact C-N 3.27Å; D209-D211 PolarHBondContact O-N 3.35Å; D209-D211 PolarHBondContact OD1-N 2.86Å; D209-T212 PolarHBondContact OD2-OG1 2.69Å; D209-T212 VanDerWaalsContact OD2-OG1 3.08Å; D209-H213 WeakPolarHBondContact O-CA 3.38Å; D209-H213 PolarHBondContact O-N 2.95Å; D209-M214 HydrophobicContact CB-CB 4.22Å; D209-M214 PolarHBondContact N-O 2.98Å; D209-M214 PolarHBondContact O-N 2.82Å; D209-Y216 HydrophobicContact CB-CE2 4.36Å; D209-K257 VanDerWaalsContact CG-CE 3.47Å; D209-K257 WeakPolarHBondContact OD1-CE 3.37Å; D209-K257 IonicContact OD1-NZ 3.1Å; D209-K257 PolarHBondContact OD1-NZ 3.32Å; D209-K257 WeakPolarHBondContact OD2-CE 3.07Å; D209-K257 IonicContact OD2-NZ 3.46Å; D209-K257 PolarHBondContact OD2-NZ 2.85Å; D209-Y268 HydrophobicContact CB-CD2 4.04Å; D209-Y268 HydrophobicContact CB-CE2 3.93Å |
| 210 | A | 96.1 | Very high | 96.3 | Very high | 43 Ų | 43 | 36.5 Ų | 36.5 | 36% | 0.355 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -24 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y208 H213 | Y208-A210 HydrophobicContact CD1-CB 4.38Å; Y208-A210 VanDerWaalsContact CE1-CA 3.48Å; Y208-A210 HydrophobicContact CE1-CB 3.84Å; A210-H213 PolarHBondContact O-CE1 2.92Å; A210-H213 VanDerWaalsContact O-CE1 3.23Å; A210-H213 PolarHBondContact O-ND1 3.38Å |
| 211 | D | 96.7 | Very high | 96.3 | Very high | 37 Ų | 37 | 34.9 Ų | 34.9 | 20% | 0.198 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -37.6 | -175.7 | -64.1 | -7.9 | 0 | 0 | 0 | 111.2 | D209 K257 P300 T302 | D209-D211 VanDerWaalsContact C-N 3.27Å; D209-D211 PolarHBondContact O-N 3.35Å; D209-D211 PolarHBondContact OD1-N 2.86Å; D211-K257 WeakPolarHBondContact OD2-CD 3.46Å; D211-K257 WeakPolarHBondContact OD2-CE 3.46Å; D211-K257 WeakPolarHBondContact OD2-CG 3.47Å; D211-K257 IonicContact OD2-NZ 3.01Å; D211-P300 HydrophobicContact CB-CG 3.82Å; D211-P300 WeakPolarHBondContact O-CG 3.48Å; D211-T302 PolarHBondContact OD1-OG1 3.27Å; D211-T302 WeakPolarHBondContact OD2-CB 3.32Å; D211-T302 PolarHBondContact OD2-OG1 2.8Å |
| 212 | T | 96.3 | Very high | 96.4 | Very high | 32 Ų | 32 | 29.2 Ų | 29.2 | 20% | 0.196 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 2.2 | -178 | 69.9 | 0 | 0 | 0 | 0 | 113 | D209 M214 V267 | D209-T212 PolarHBondContact OD2-OG1 2.69Å; D209-T212 VanDerWaalsContact OD2-OG1 3.08Å; T212-M214 PolarHBondContact O-N 2.58Å; T212-M214 VanDerWaalsContact O-N 3.15Å; T212-M214 WeakPolarHBondContact OG1-CB 3.09Å; T212-M214 WeakPolarHBondContact OG1-CG 3.36Å; T212-V267 HydrophobicContact CG2-CB 4.48Å |
| 213 | H | 96.9 | Very high | 96.4 | Very high | 82 Ų | 82 | 29.3 Ų | 29.3 | 38% | 0.38 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 32.5 | -173.1 | -51.6 | -50 | 0 | 0 | 0 | 114.5 | Y208 D209 A210 I230 | Y208-H213 PolarHBondContact OH-ND1 3.48Å; D209-H213 WeakPolarHBondContact O-CA 3.38Å; D209-H213 PolarHBondContact O-N 2.95Å; A210-H213 PolarHBondContact O-CE1 2.92Å; A210-H213 VanDerWaalsContact O-CE1 3.23Å; A210-H213 PolarHBondContact O-ND1 3.38Å; H213-I230 WeakPolarHBondContact CB-O 3.43Å; H213-I230 PolarHBondContact O-N 2.97Å |
| 214 | M | 97.7 | Very high | 96.5 | Very high | 26 Ų | 26 | 27.7 Ų | 27.7 | 13% | 0.128 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 131.7 | -179.7 | -70.8 | -75.3 | -67.7 | 0 | 0 | 110.2 | D209 T212 Y216 Y227 F228 L240 | D209-M214 HydrophobicContact CB-CB 4.22Å; D209-M214 PolarHBondContact N-O 2.98Å; D209-M214 PolarHBondContact O-N 2.82Å; T212-M214 PolarHBondContact O-N 2.58Å; T212-M214 VanDerWaalsContact O-N 3.15Å; T212-M214 WeakPolarHBondContact OG1-CB 3.09Å; T212-M214 WeakPolarHBondContact OG1-CG 3.36Å; M214-Y216 HydrophobicContact CB-CE2 3.75Å; M214-Y216 HydrophobicContact CE-CE1 4.31Å; M214-Y227 HydrophobicContact CE-CD2 3.79Å; M214-Y227 HydrophobicContact CE-CG 4.35Å; M214-F228 WeakPolarHBondContact CA-O 3.43Å; M214-L240 HydrophobicContact CE-CD1 3.46Å; M214-L240 VanDerWaalsContact CE-CD1 3.46Å; M214-L240 HydrophobicContact SD-CD1 3.37Å; M214-L240 WeakPolarHBondContact SD-CD1 3.14Å |
| 215 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 127.2 | 169.9 | 175.5 | 74 | 0 | 0 | 0 | 109.4 | L168 P206 L217 Y227 F228 I230 | L168-L215 HydrophobicContact CD1-CD1 4.4Å; L168-L215 HydrophobicContact CD1-CD2 3.42Å; L168-L215 VanDerWaalsContact CD1-CD2 3.42Å; L168-L215 HydrophobicContact CD1-CG 4.5Å; L168-L215 HydrophobicContact CD2-CD1 4Å; L168-L215 HydrophobicContact CD2-CD2 4.01Å; L168-L215 HydrophobicContact CG-CD2 4.37Å; P206-L215 HydrophobicContact CB-CD1 3.88Å; L215-L217 HydrophobicContact CD1-CD2 4.06Å; L215-L217 HydrophobicContact CD2-CD1 4.3Å; L215-L217 HydrophobicContact CD2-CD2 3.82Å; L215-L217 HydrophobicContact CD2-CG 3.99Å; L215-L217 HydrophobicContact CG-CD2 3.92Å; L215-L217 HydrophobicContact CG-CG 4.16Å; L215-Y227 CarbonylContact O-C 3.22Å; L215-Y227 WeakPolarHBondContact O-CA 3.02Å; L215-Y227 WeakPolarHBondContact O-CB 3.38Å; L215-F228 HydrophobicContact CB-CB 4.34Å; L215-F228 HydrophobicContact CD2-CD2 4.34Å; L215-F228 PolarHBondContact N-O 3.29Å; L215-F228 PolarHBondContact O-N 2.83Å; L215-I230 HydrophobicContact CB-CD1 3.84Å; L215-I230 HydrophobicContact CB-CG1 3.64Å; L215-I230 HydrophobicContact CD2-CD1 3.95Å |
| 216 | Y | 98.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.008 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 128.4 | 170.3 | -52.4 | -94.6 | 0 | 0 | 0 | 109.5 | F207 D209 M214 I225 R226 Y227 Y268 F270 M285 | F207-Y216 PolarHBondContact N-O 3Å; F207-Y216 PolarHBondContact O-N 3.28Å; D209-Y216 HydrophobicContact CB-CE2 4.36Å; M214-Y216 HydrophobicContact CB-CE2 3.75Å; M214-Y216 HydrophobicContact CE-CE1 4.31Å; Y216-I225 HydrophobicContact CD1-CG2 4.43Å; Y216-R226 CarbonylContact C-O 3.51Å; Y216-R226 WeakPolarHBondContact CA-O 3.37Å; Y216-Y227 VanDerWaalsContact CD1-CB 3.48Å; Y216-Y227 HydrophobicContact CD1-CD1 4.04Å; Y216-Y227 AromaticContact CD1-CG 3.98Å; Y216-Y227 HydrophobicContact CD1-CG 3.98Å; Y216-Y227 HydrophobicContact CE1-CD1 4.26Å; Y216-Y227 HydrophobicContact CE1-CG 4.02Å; Y216-Y268 HydrophobicContact CD2-CD1 4.05Å; Y216-Y268 HydrophobicContact CD2-CD2 4.31Å; Y216-Y268 HydrophobicContact CD2-CE1 4.07Å; Y216-Y268 HydrophobicContact CD2-CE2 4.33Å; Y216-Y268 HydrophobicContact CD2-CG 4.16Å; Y216-Y268 AromaticContact CE2-CD1 3.92Å; Y216-Y268 HydrophobicContact CE2-CD1 3.92Å; Y216-Y268 AromaticContact CE2-CD2 3.67Å; Y216-Y268 HydrophobicContact CE2-CD2 3.67Å; Y216-Y268 HydrophobicContact CE2-CE1 4.31Å; Y216-Y268 HydrophobicContact CE2-CE2 4.09Å; Y216-Y268 AromaticContact CE2-CG 3.57Å; Y216-Y268 HydrophobicContact CE2-CG 3.57Å; Y216-Y268 AromaticContact CZ-CG 3.9Å; Y216-Y268 WeakPolarHBondContact OH-CB 3.37Å; Y216-F270 AromaticContact CD1-CE2 3.93Å; Y216-F270 HydrophobicContact CD1-CE2 3.93Å; Y216-F270 HydrophobicContact CD1-CZ 4.22Å; Y216-F270 HydrophobicContact CD2-CZ 4.34Å; Y216-F270 AromaticContact CG-CE2 3.99Å; Y216-F270 HydrophobicContact CG-CE2 3.99Å; Y216-F270 AromaticContact CG-CZ 3.8Å; Y216-F270 HydrophobicContact CG-CZ 3.8Å; Y216-M285 HydrophobicContact CD1-CE 4.16Å; Y216-M285 HydrophobicContact CD1-CG 4.36Å; Y216-M285 HydrophobicContact CE1-CB 4.24Å; Y216-M285 HydrophobicContact CE1-CE 4.31Å; Y216-M285 HydrophobicContact CE1-CG 3.67Å; Y216-M285 HydrophobicContact CE1-SD 4.23Å |
| 217 | L | 98.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 123.7 | 178.3 | -63.4 | -174.8 | 0 | 0 | 0 | 110 | T170 I180 I197 L204 P206 L215 R226 F228 | T170-L217 HydrophobicContact CG2-CD2 3.96Å; I180-L217 HydrophobicContact CD1-CD1 4.14Å; I180-L217 HydrophobicContact CG2-CD1 3.61Å; I180-L217 HydrophobicContact CG2-CD2 4.34Å; I197-L217 HydrophobicContact CD1-CD1 4.05Å; I197-L217 HydrophobicContact CG1-CD1 4.38Å; L204-L217 HydrophobicContact CD1-CB 4.04Å; L204-L217 HydrophobicContact CD2-CB 4.41Å; L204-L217 HydrophobicContact CD2-CD1 4.1Å; L204-L217 HydrophobicContact CG-CB 4.31Å; P206-L217 HydrophobicContact CB-CD2 3.99Å; L215-L217 HydrophobicContact CD1-CD2 4.06Å; L215-L217 HydrophobicContact CD2-CD1 4.3Å; L215-L217 HydrophobicContact CD2-CD2 3.82Å; L215-L217 HydrophobicContact CD2-CG 3.99Å; L215-L217 HydrophobicContact CG-CD2 3.92Å; L215-L217 HydrophobicContact CG-CG 4.16Å; L217-R226 HydrophobicContact CB-CB 4.5Å; L217-R226 PolarHBondContact N-O 2.96Å; L217-R226 PolarHBondContact O-N 3.38Å; L217-F228 HydrophobicContact CB-CE2 4.23Å; L217-F228 HydrophobicContact CD1-CD2 4.11Å; L217-F228 HydrophobicContact CD1-CE2 3.45Å; L217-F228 VanDerWaalsContact CD1-CE2 3.45Å; L217-F228 HydrophobicContact CD1-CZ 3.97Å; L217-F228 HydrophobicContact CG-CD2 4.18Å; L217-F228 HydrophobicContact CG-CE2 3.81Å |
| 218 | A | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 123.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | F205 F207 I225 Q249 L252 | F205-A218 WeakPolarHBondContact CB-O 3.34Å; F205-A218 PolarHBondContact N-O 2.9Å; F205-A218 PolarHBondContact O-N 3.4Å; F205-A218 VanDerWaalsContact O-N 3.1Å; F207-A218 HydrophobicContact CD2-CB 4.46Å; F207-A218 HydrophobicContact CE2-CB 4.08Å; A218-I225 HydrophobicContact CB-CG1 4.12Å; A218-I225 HydrophobicContact CB-CG2 4.25Å; A218-Q249 VanDerWaalsContact CB-NE2 3.29Å; A218-L252 HydrophobicContact CB-CD1 3.26Å |
| 219 | G | 95.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 147.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L203 G221 D222 Q249 | L203-G219 VanDerWaalsContact O-CA 3.29Å; L203-G219 WeakPolarHBondContact O-CA 3.32Å; G219-G221 PolarHBondContact O-N 2.82Å; G219-D222 WeakPolarHBondContact CA-OD2 3.43Å; G219-D222 PolarHBondContact N-OD2 2.86Å; G219-D222 VanDerWaalsContact O-CB 3.31Å; G219-D222 WeakPolarHBondContact O-CB 3.48Å; G219-D222 PolarHBondContact O-N 3.31Å; G219-D222 VanDerWaalsContact O-N 3.08Å; G219-Q249 WeakPolarHBondContact O-CG 3.45Å; G219-Q249 PolarHBondContact O-NE2 3.4Å |
| 220 | K | 92.5 | Very high | 96.6 | Very high | 104 Ų | 104 | 28.3 Ų | 28.3 | 45% | 0.452 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 123.3 | 169.3 | -174 | 172.2 | -174.9 | 173.1 | 0 | 109.7 | G202 L203 F205 K250 | G202-K220 WeakPolarHBondContact CA-O 3.38Å; L203-K220 PolarHBondContact O-N 2.81Å; F205-K220 HydrophobicContact CE2-CB 4.35Å; K220-K250 WeakPolarHBondContact CE-O 3.5Å |
| 221 | G | 93.1 | Very high | 96.6 | Very high | 48 Ų | 48 | 28.2 Ų | 28.2 | 50% | 0.495 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | -10.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G219 P248 Q249 | G219-G221 PolarHBondContact O-N 2.82Å; G221-P248 VanDerWaalsContact O-CB 3.22Å; G221-P248 WeakPolarHBondContact O-CB 3.4Å; G221-Q249 PolarHBondContact N-O 3.26Å |
| 222 | D | 94.8 | Very high | 96.4 | Very high | 11 Ų | 11 | 30 Ų | 30 | 6% | 0.059 | 17% | 0.165 | C | C | . | . | trans | -79.2 | 150.8 | 178.7 | -64.3 | 4.7 | 0 | 0 | 0 | 110.9 | R178 G219 P248 Q249 | R178-D222 IonicContact CZ-OD2 3.25Å; R178-D222 VanDerWaalsContact CZ-OD2 3.23Å; R178-D222 IonicContact NH1-OD1 3.92Å; R178-D222 PolarHBondContact NH1-OD1 3.44Å; R178-D222 IonicContact NH1-OD2 2.77Å; R178-D222 PolarHBondContact NH1-OD2 3.46Å; R178-D222 IonicContact NH2-OD1 2.7Å; R178-D222 IonicContact NH2-OD2 3.16Å; R178-D222 PolarHBondContact NH2-OD2 2.87Å; G219-D222 WeakPolarHBondContact CA-OD2 3.43Å; G219-D222 PolarHBondContact N-OD2 2.86Å; G219-D222 VanDerWaalsContact O-CB 3.31Å; G219-D222 WeakPolarHBondContact O-CB 3.48Å; G219-D222 PolarHBondContact O-N 3.31Å; G219-D222 VanDerWaalsContact O-N 3.08Å; D222-P248 CarbonylContact O-C 3.57Å; D222-P248 WeakPolarHBondContact O-CA 3.24Å; D222-Q249 VanDerWaalsContact O-CG 3.29Å; D222-Q249 WeakPolarHBondContact O-CG 3.33Å; D222-Q249 PolarHBondContact O-N 3.04Å | ||
| 223 | G | 93.6 | Very high | 96.2 | Very high | 17 Ų | 17 | 35.4 Ų | 35.4 | 18% | 0.175 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -91.4 | -20.8 | 171 | 0 | 0 | 0 | 0 | 0 | 113.5 | S245 K272 | G223-S245 CarbonylContact C-O 3.56Å; G223-S245 WeakPolarHBondContact CA-O 3.45Å; G223-S245 WeakPolarHBondContact O-CB 3.2Å; G223-S245 PolarHBondContact O-N 2.8Å; G223-S245 VanDerWaalsContact O-N 3.11Å; G223-K272 PolarHBondContact O-NZ 2.84Å |
| 224 | N | 95.7 | Very high | 96.1 | Very high | 24 Ų | 24 | 39.8 Ų | 39.8 | 13% | 0.128 | 21% | 0.206 | C | C | . | . | trans | -104.2 | 160.3 | -173.5 | 62.4 | -28.3 | 0 | 0 | 0 | 113.3 | R226 E242 F243 R244 | N224-R226 PolarHBondContact ND2-NE 3.32Å; N224-R226 PolarHBondContact ND2-NH2 3.41Å; N224-E242 PolarHBondContact ND2-OE2 3.21Å; N224-F243 CarbonylContact C-O 3.53Å; N224-F243 WeakPolarHBondContact CA-O 3.31Å; N224-F243 WeakPolarHBondContact CB-O 3.29Å; N224-R244 HydrophobicContact CB-CG 4.43Å | ||
| 225 | I | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 113.4 | 169.5 | -56.3 | 174.7 | 0 | 0 | 0 | 106 | Y216 A218 E242 F243 L252 F270 I283 M285 | Y216-I225 HydrophobicContact CD1-CG2 4.43Å; A218-I225 HydrophobicContact CB-CG1 4.12Å; A218-I225 HydrophobicContact CB-CG2 4.25Å; I225-E242 CarbonylContact O-C 3.55Å; I225-E242 VanDerWaalsContact O-CA 3.25Å; I225-E242 WeakPolarHBondContact O-CA 3.16Å; I225-E242 WeakPolarHBondContact O-CB 3.43Å; I225-F243 HydrophobicContact CB-CB 4.34Å; I225-F243 HydrophobicContact CD1-CD1 4.34Å; I225-F243 HydrophobicContact CG1-CD1 4.29Å; I225-F243 PolarHBondContact N-O 3.21Å; I225-F243 PolarHBondContact O-N 3.5Å; I225-L252 HydrophobicContact CD1-CD2 4.26Å; I225-F270 HydrophobicContact CD1-CD2 3.91Å; I225-F270 HydrophobicContact CD1-CE2 4.22Å; I225-F270 HydrophobicContact CD1-CG 4.06Å; I225-F270 HydrophobicContact CG2-CE2 4.12Å; I225-F270 HydrophobicContact CG2-CZ 4.23Å; I225-I283 HydrophobicContact CD1-CD1 4.08Å; I225-M285 HydrophobicContact CB-CE 4.32Å; I225-M285 HydrophobicContact CD1-CE 4.29Å; I225-M285 HydrophobicContact CG2-CE 4.06Å |
| 226 | R | 98.2 | Very high | 95.8 | Very high | 41 Ų | 41 | 44 Ų | 44 | 16% | 0.155 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 147.5 | 177.1 | -61.1 | -171 | -177.9 | 101.2 | -10.2 | 109.4 | D198 Y216 L217 N224 F228 Y239 E242 | D198-R226 IonicContact OD2-CZ 2.74Å; D198-R226 VanDerWaalsContact OD2-CZ 3.25Å; D198-R226 IonicContact OD2-NH1 3.12Å; D198-R226 PolarHBondContact OD2-NH1 3.49Å; D198-R226 IonicContact OD2-NH2 2.84Å; D198-R226 PolarHBondContact OD2-NH2 3.22Å; Y216-R226 CarbonylContact C-O 3.51Å; Y216-R226 WeakPolarHBondContact CA-O 3.37Å; L217-R226 HydrophobicContact CB-CB 4.5Å; L217-R226 PolarHBondContact N-O 2.96Å; L217-R226 PolarHBondContact O-N 3.38Å; N224-R226 PolarHBondContact ND2-NE 3.32Å; N224-R226 PolarHBondContact ND2-NH2 3.41Å; R226-F228 HydrophobicContact CB-CE2 3.72Å; R226-F228 HydrophobicContact CB-CZ 4.22Å; R226-Y239 HydrophobicContact CB-CE2 4.34Å; R226-E242 HydrophobicContact CB-CB 4.31Å; R226-E242 HydrophobicContact CG-CB 3.84Å; R226-E242 WeakPolarHBondContact CG-OE2 3.2Å; R226-E242 IonicContact CZ-OE2 3.42Å; R226-E242 IonicContact NE-OE2 3Å; R226-E242 PolarHBondContact NE-OE2 2.8Å; R226-E242 VanDerWaalsContact NE-OE2 3.16Å |
| 227 | Y | 97.7 | Very high | 95.7 | Very high | 36 Ų | 36 | 44.1 Ų | 44.1 | 14% | 0.141 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 148.7 | 175.4 | 43.4 | -88 | 0 | 0 | 0 | 113.9 | M214 L215 Y216 L240 M241 F243 M285 | M214-Y227 HydrophobicContact CE-CD2 3.79Å; M214-Y227 HydrophobicContact CE-CG 4.35Å; L215-Y227 CarbonylContact O-C 3.22Å; L215-Y227 WeakPolarHBondContact O-CA 3.02Å; L215-Y227 WeakPolarHBondContact O-CB 3.38Å; Y216-Y227 VanDerWaalsContact CD1-CB 3.48Å; Y216-Y227 HydrophobicContact CD1-CD1 4.04Å; Y216-Y227 AromaticContact CD1-CG 3.98Å; Y216-Y227 HydrophobicContact CD1-CG 3.98Å; Y216-Y227 HydrophobicContact CE1-CD1 4.26Å; Y216-Y227 HydrophobicContact CE1-CG 4.02Å; Y227-L240 HydrophobicContact CD2-CB 4.1Å; Y227-L240 HydrophobicContact CD2-CD1 4.41Å; Y227-L240 WeakPolarHBondContact O-CB 3.23Å; Y227-L240 PolarHBondContact O-N 2.99Å; Y227-M241 HydrophobicContact CD2-CG 4.01Å; Y227-M241 HydrophobicContact CE1-CG 4.18Å; Y227-M241 HydrophobicContact CE2-CB 4.32Å; Y227-M241 HydrophobicContact CE2-CG 3.05Å; Y227-M241 HydrophobicContact CE2-SD 3.88Å; Y227-M241 PolarHBondContact N-O 2.61Å; Y227-M241 WeakPolarHBondContact OH-CG 3.16Å; Y227-M241 PolarHBondContact OH-SD 3.41Å; Y227-F243 HydrophobicContact CE1-CB 4.48Å; Y227-M285 HydrophobicContact CD1-CE 4.47Å; Y227-M285 HydrophobicContact CE1-CE 4.36Å; Y227-M285 HydrophobicContact CE1-SD 4.16Å |
| 228 | F | 98.3 | Very high | 95.7 | Very high | 7 Ų | 7 | 48.2 Ų | 48.2 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 147.6 | -167 | -54 | -106 | 0 | 0 | 0 | 108.5 | I197 M214 L215 L217 R226 I230 I237 Q238 Y239 | I197-F228 HydrophobicContact CD1-CZ 4.22Å; M214-F228 WeakPolarHBondContact CA-O 3.43Å; L215-F228 HydrophobicContact CB-CB 4.34Å; L215-F228 HydrophobicContact CD2-CD2 4.34Å; L215-F228 PolarHBondContact N-O 3.29Å; L215-F228 PolarHBondContact O-N 2.83Å; L217-F228 HydrophobicContact CB-CE2 4.23Å; L217-F228 HydrophobicContact CD1-CD2 4.11Å; L217-F228 HydrophobicContact CD1-CE2 3.45Å; L217-F228 VanDerWaalsContact CD1-CE2 3.45Å; L217-F228 HydrophobicContact CD1-CZ 3.97Å; L217-F228 HydrophobicContact CG-CD2 4.18Å; L217-F228 HydrophobicContact CG-CE2 3.81Å; R226-F228 HydrophobicContact CB-CE2 3.72Å; R226-F228 HydrophobicContact CB-CZ 4.22Å; F228-I230 HydrophobicContact CB-CD1 4.31Å; F228-I237 HydrophobicContact CB-CG2 4.12Å; F228-I237 HydrophobicContact CD1-CG2 3.59Å; F228-I237 HydrophobicContact CE1-CG2 4.31Å; F228-I237 HydrophobicContact CG-CG2 4.08Å; F228-Q238 CarbonylContact C-O 3.6Å; F228-Q238 WeakPolarHBondContact CA-O 3.32Å; F228-Q238 WeakPolarHBondContact CB-O 3.29Å; F228-Y239 VanDerWaalsContact CD1-CA 3.42Å; F228-Y239 HydrophobicContact CD1-CD2 4.16Å; F228-Y239 HydrophobicContact CD1-CG 4.5Å; F228-Y239 AromaticContact CE1-CD2 3.68Å; F228-Y239 HydrophobicContact CE1-CD2 3.68Å; F228-Y239 HydrophobicContact CE1-CG 4.21Å; F228-Y239 HydrophobicContact CE2-CD2 4.44Å; F228-Y239 AromaticContact CZ-CD2 3.82Å; F228-Y239 HydrophobicContact CZ-CD2 3.82Å |
| 229 | E | 97.5 | Very high | 95.7 | Very high | 79 Ų | 79 | 53.6 Ų | 53.6 | 37% | 0.369 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 136 | 163.1 | -174.9 | 173.9 | -171.4 | 0 | 0 | 108.6 | T231 Q238 L240 | E229-T231 HydrophobicContact CG-CG2 4.35Å; E229-Q238 HydrophobicContact CB-CB 4.38Å; E229-Q238 PolarHBondContact N-O 3.24Å; E229-Q238 PolarHBondContact O-N 3.19Å; E229-L240 HydrophobicContact CB-CD1 4.1Å; E229-L240 HydrophobicContact CB-CD2 4.23Å; E229-L240 HydrophobicContact CB-CG 4.28Å |
| 230 | I | 97.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130.8 | -179 | -54.8 | -60.6 | 0 | 0 | 0 | 109.7 | L161 M164 L168 F182 Y208 H213 L215 F228 Y236 I237 | L161-I230 HydrophobicContact CD1-CG2 4.08Å; M164-I230 HydrophobicContact CE-CG2 4.04Å; M164-I230 HydrophobicContact SD-CG2 4.2Å; L168-I230 HydrophobicContact CD1-CD1 4.42Å; F182-I230 HydrophobicContact CE2-CG2 3.68Å; F182-I230 HydrophobicContact CZ-CG2 4.39Å; Y208-I230 HydrophobicContact CE2-CB 4.23Å; Y208-I230 HydrophobicContact CE2-CG1 4.26Å; H213-I230 WeakPolarHBondContact CB-O 3.43Å; H213-I230 PolarHBondContact O-N 2.97Å; L215-I230 HydrophobicContact CB-CD1 3.84Å; L215-I230 HydrophobicContact CB-CG1 3.64Å; L215-I230 HydrophobicContact CD2-CD1 3.95Å; F228-I230 HydrophobicContact CB-CD1 4.31Å; I230-Y236 CarbonylContact C-O 3.55Å; I230-Y236 WeakPolarHBondContact CA-O 3.42Å; I230-I237 HydrophobicContact CD1-CB 4.33Å; I230-I237 HydrophobicContact CD1-CG1 4.08Å; I230-I237 HydrophobicContact CD1-CG2 4.05Å |
| 231 | T | 95.8 | Very high | 95.9 | Very high | 41 Ų | 41 | 56.4 Ų | 56.4 | 25% | 0.252 | 29% | 0.288 | S | S | . | . | trans | -132.9 | 163.7 | -178.9 | 65.2 | 0 | 0 | 0 | 0 | 111.1 | M164 E229 E233 Y236 | M164-T231 VanDerWaalsContact CE-C 3.46Å; E229-T231 HydrophobicContact CG-CG2 4.35Å; T231-E233 VanDerWaalsContact C-N 3.32Å; T231-E233 PolarHBondContact OG1-O 2.85Å; T231-Y236 PolarHBondContact N-O 3.23Å | ||
| 232 | T | 92.9 | Very high | 96.1 | Very high | 75 Ų | 75 | 56 Ų | 56 | 46% | 0.46 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -85.9 | -6.4 | 175.3 | 50.2 | 0 | 0 | 0 | 0 | 113 | M164 Y236 | M164-T232 HydrophobicContact CB-CG2 4.22Å; M164-T232 HydrophobicContact CE-CG2 3.59Å; M164-T232 HydrophobicContact CG-CG2 4.44Å; T232-Y236 VanDerWaalsContact O-CE1 3.24Å; T232-Y236 WeakPolarHBondContact O-CE1 3.4Å |
| 233 | E | 92.4 | Very high | 96.2 | Very high | 146 Ų | 146 | 58 Ų | 58 | 68% | 0.682 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -116.6 | 158.2 | -178.2 | -61.6 | -172.4 | 175.8 | 0 | 0 | 110.7 | T231 Y236 | T231-E233 VanDerWaalsContact C-N 3.32Å; T231-E233 PolarHBondContact OG1-O 2.85Å; E233-Y236 VanDerWaalsContact O-CA 3.25Å; E233-Y236 WeakPolarHBondContact O-CA 3.34Å; E233-Y236 PolarHBondContact O-N 3.48Å |
| 234 | K | 94.1 | Very high | 96.3 | Very high | 173 Ų | 173 | 66.1 Ų | 66.1 | 75% | 0.752 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 135.6 | 177.8 | -73.3 | -179.6 | 178.8 | -178.2 | 0 | 110.7 | Y236 | K234-Y236 HydrophobicContact CB-CE2 4.34Å; K234-Y236 HydrophobicContact CD-CE2 4.41Å; K234-Y236 HydrophobicContact CG-CD2 4.1Å; K234-Y236 HydrophobicContact CG-CE2 3.37Å |
| 235 | P | 94.4 | Very high | 96.2 | Very high | 73 Ų | 73 | 66.1 Ų | 66.1 | 47% | 0.474 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -86.3 | 6.8 | 12.4 | 34.6 | -36.3 | 0 | 0 | 0 | 116 | I237 Q238 | P235-I237 PolarHBondContact O-N 2.98Å; P235-Q238 HydrophobicContact CG-CB 4.48Å |
| 236 | Y | 95.8 | Very high | 95.9 | Very high | 43 Ų | 43 | 72.6 Ų | 72.6 | 17% | 0.169 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 66.3 | -44.2 | -176.7 | -47.7 | -78.2 | 0 | 0 | 0 | 115.1 | F182 I192 V193 I230 T231 T232 E233 K234 | F182-Y236 HydrophobicContact CD1-CD1 4.45Å; F182-Y236 HydrophobicContact CD1-CG 4.39Å; F182-Y236 AromaticContact CE1-CD1 3.96Å; F182-Y236 HydrophobicContact CE1-CD1 3.96Å; F182-Y236 HydrophobicContact CE1-CG 4.28Å; I192-Y236 HydrophobicContact CG2-CD2 4.14Å; I192-Y236 HydrophobicContact CG2-CE1 4.19Å; I192-Y236 HydrophobicContact CG2-CE2 3.74Å; V193-Y236 HydrophobicContact CB-CD2 4.45Å; V193-Y236 HydrophobicContact CG2-CD2 3.59Å; V193-Y236 HydrophobicContact CG2-CE2 3.99Å; I230-Y236 CarbonylContact C-O 3.55Å; I230-Y236 WeakPolarHBondContact CA-O 3.42Å; T231-Y236 PolarHBondContact N-O 3.23Å; T232-Y236 VanDerWaalsContact O-CE1 3.24Å; T232-Y236 WeakPolarHBondContact O-CE1 3.4Å; E233-Y236 VanDerWaalsContact O-CA 3.25Å; E233-Y236 WeakPolarHBondContact O-CA 3.34Å; E233-Y236 PolarHBondContact O-N 3.48Å; K234-Y236 HydrophobicContact CB-CE2 4.34Å; K234-Y236 HydrophobicContact CD-CE2 4.41Å; K234-Y236 HydrophobicContact CG-CD2 4.1Å; K234-Y236 HydrophobicContact CG-CE2 3.37Å |
| 237 | I | 96.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 115.6 | 179 | -53.6 | 174.8 | 0 | 0 | 0 | 106.8 | I180 F182 V193 F228 I230 P235 | I180-I237 HydrophobicContact CD1-CD1 3.74Å; I180-I237 HydrophobicContact CD1-CG2 4.03Å; I180-I237 HydrophobicContact CG1-CD1 4.21Å; F182-I237 HydrophobicContact CB-CD1 4.22Å; V193-I237 HydrophobicContact CG1-CD1 4.23Å; F228-I237 HydrophobicContact CB-CG2 4.12Å; F228-I237 HydrophobicContact CD1-CG2 3.59Å; F228-I237 HydrophobicContact CE1-CG2 4.31Å; F228-I237 HydrophobicContact CG-CG2 4.08Å; I230-I237 HydrophobicContact CD1-CB 4.33Å; I230-I237 HydrophobicContact CD1-CG1 4.08Å; I230-I237 HydrophobicContact CD1-CG2 4.05Å; P235-I237 PolarHBondContact O-N 2.98Å |
| 238 | Q | 97.1 | Very high | 95.3 | Very high | 88 Ų | 88 | 71.9 Ų | 71.9 | 41% | 0.411 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 110.6 | 179.5 | 179.9 | 170.9 | -31.3 | 0 | 0 | 109.5 | F228 E229 P235 L240 | F228-Q238 CarbonylContact C-O 3.6Å; F228-Q238 WeakPolarHBondContact CA-O 3.32Å; F228-Q238 WeakPolarHBondContact CB-O 3.29Å; E229-Q238 HydrophobicContact CB-CB 4.38Å; E229-Q238 PolarHBondContact N-O 3.24Å; E229-Q238 PolarHBondContact O-N 3.19Å; P235-Q238 HydrophobicContact CG-CB 4.48Å; Q238-L240 PolarHBondContact O-N 2.87Å |
| 239 | Y | 97.4 | Very high | 95.1 | Very high | 112 Ų | 112 | 71.7 Ų | 71.7 | 44% | 0.439 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 130.4 | 172.9 | 175.9 | -99.5 | 0 | 0 | 0 | 110.6 | R226 F228 M241 E242 | R226-Y239 HydrophobicContact CB-CE2 4.34Å; F228-Y239 VanDerWaalsContact CD1-CA 3.42Å; F228-Y239 HydrophobicContact CD1-CD2 4.16Å; F228-Y239 HydrophobicContact CD1-CG 4.5Å; F228-Y239 AromaticContact CE1-CD2 3.68Å; F228-Y239 HydrophobicContact CE1-CD2 3.68Å; F228-Y239 HydrophobicContact CE1-CG 4.21Å; F228-Y239 HydrophobicContact CE2-CD2 4.44Å; F228-Y239 AromaticContact CZ-CD2 3.82Å; F228-Y239 HydrophobicContact CZ-CD2 3.82Å; Y239-M241 WeakPolarHBondContact OH-CA 3.29Å; Y239-E242 PolarHBondContact OH-N 3.34Å |
| 240 | L | 96.8 | Very high | 94.9 | Very high | 60 Ų | 60 | 73.3 Ų | 73.3 | 31% | 0.314 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -68.9 | 177.4 | -62.1 | 175.1 | 0 | 0 | 0 | 110.2 | M214 Y227 E229 Q238 | M214-L240 HydrophobicContact CE-CD1 3.46Å; M214-L240 VanDerWaalsContact CE-CD1 3.46Å; M214-L240 HydrophobicContact SD-CD1 3.37Å; M214-L240 WeakPolarHBondContact SD-CD1 3.14Å; Y227-L240 HydrophobicContact CD2-CB 4.1Å; Y227-L240 HydrophobicContact CD2-CD1 4.41Å; Y227-L240 WeakPolarHBondContact O-CB 3.23Å; Y227-L240 PolarHBondContact O-N 2.99Å; E229-L240 HydrophobicContact CB-CD1 4.1Å; E229-L240 HydrophobicContact CB-CD2 4.23Å; E229-L240 HydrophobicContact CB-CG 4.28Å; Q238-L240 PolarHBondContact O-N 2.87Å |
| 241 | M | 95.8 | Very high | 94.6 | Very high | 105 Ų | 105 | 74.7 Ų | 74.7 | 52% | 0.517 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.4 | -170.5 | 178.7 | 62.9 | -178.1 | 80.3 | 0 | 0 | 110 | Y227 Y239 | Y227-M241 HydrophobicContact CD2-CG 4.01Å; Y227-M241 HydrophobicContact CE1-CG 4.18Å; Y227-M241 HydrophobicContact CE2-CB 4.32Å; Y227-M241 HydrophobicContact CE2-CG 3.05Å; Y227-M241 HydrophobicContact CE2-SD 3.88Å; Y227-M241 PolarHBondContact N-O 2.61Å; Y227-M241 WeakPolarHBondContact OH-CG 3.16Å; Y227-M241 PolarHBondContact OH-SD 3.41Å; Y239-M241 WeakPolarHBondContact OH-CA 3.29Å |
| 242 | E | 96.6 | Very high | 94.6 | Very high | 38 Ų | 38 | 74.5 Ų | 74.5 | 18% | 0.178 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 140.9 | 177.1 | 67.5 | -176.4 | 169.3 | 0 | 0 | 112 | N224 I225 R226 Y239 R244 | N224-E242 PolarHBondContact ND2-OE2 3.21Å; I225-E242 CarbonylContact O-C 3.55Å; I225-E242 VanDerWaalsContact O-CA 3.25Å; I225-E242 WeakPolarHBondContact O-CA 3.16Å; I225-E242 WeakPolarHBondContact O-CB 3.43Å; R226-E242 HydrophobicContact CB-CB 4.31Å; R226-E242 HydrophobicContact CG-CB 3.84Å; R226-E242 WeakPolarHBondContact CG-OE2 3.2Å; R226-E242 IonicContact CZ-OE2 3.42Å; R226-E242 IonicContact NE-OE2 3Å; R226-E242 PolarHBondContact NE-OE2 2.8Å; R226-E242 VanDerWaalsContact NE-OE2 3.16Å; Y239-E242 PolarHBondContact OH-N 3.34Å; E242-R244 HydrophobicContact CG-CG 3.91Å; E242-R244 IonicContact OE1-CZ 2.61Å; E242-R244 IonicContact OE1-NE 3.21Å; E242-R244 PolarHBondContact OE1-NE 2.74Å; E242-R244 IonicContact OE1-NH2 3.34Å; E242-R244 PolarHBondContact OE1-NH2 2.54Å |
| 243 | F | 97.2 | Very high | 94.7 | Very high | 54 Ų | 54 | 72.5 Ų | 72.5 | 24% | 0.237 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 135.2 | 162.7 | 168.2 | -97.1 | 0 | 0 | 0 | 108.5 | N224 I225 Y227 I283 M285 | N224-F243 CarbonylContact C-O 3.53Å; N224-F243 WeakPolarHBondContact CA-O 3.31Å; N224-F243 WeakPolarHBondContact CB-O 3.29Å; I225-F243 HydrophobicContact CB-CB 4.34Å; I225-F243 HydrophobicContact CD1-CD1 4.34Å; I225-F243 HydrophobicContact CG1-CD1 4.29Å; I225-F243 PolarHBondContact N-O 3.21Å; I225-F243 PolarHBondContact O-N 3.5Å; Y227-F243 HydrophobicContact CE1-CB 4.48Å; F243-I283 HydrophobicContact CD1-CD1 4.15Å; F243-I283 HydrophobicContact CD1-CG2 4.43Å; F243-I283 HydrophobicContact CD2-CG2 4.09Å; F243-I283 HydrophobicContact CE1-CD1 3.54Å; F243-I283 HydrophobicContact CE1-CG1 4.33Å; F243-I283 HydrophobicContact CE1-CG2 4.45Å; F243-I283 HydrophobicContact CE2-CG2 4.11Å; F243-I283 HydrophobicContact CG-CG2 4.25Å; F243-I283 HydrophobicContact CZ-CD1 3.86Å; F243-I283 HydrophobicContact CZ-CG1 4.17Å; F243-I283 HydrophobicContact CZ-CG2 4.28Å; F243-M285 HydrophobicContact CB-CE 4.32Å |
| 244 | R | 96.2 | Very high | 95 | Very high | 188 Ų | 188 | 68.1 Ų | 68.1 | 71% | 0.709 | 35% | 0.351 | S | S | * | . | trans | -122.6 | 134.4 | 177.7 | -62.5 | -176.3 | 178.8 | 175.9 | 0.9 | 110.6 | N224 E242 | N224-R244 HydrophobicContact CB-CG 4.43Å; E242-R244 HydrophobicContact CG-CG 3.91Å; E242-R244 IonicContact OE1-CZ 2.61Å; E242-R244 IonicContact OE1-NE 3.21Å; E242-R244 PolarHBondContact OE1-NE 2.74Å; E242-R244 IonicContact OE1-NH2 3.34Å; E242-R244 PolarHBondContact OE1-NH2 2.54Å | ||
| 245 | S | 92.9 | Very high | 95.1 | Very high | 23 Ų | 23 | 61.9 Ų | 61.9 | 16% | 0.161 | 33% | 0.325 | C | S | . | . | trans | -141.2 | 142.5 | 171.3 | 165.3 | 0 | 0 | 0 | 0 | 109.3 | G223 A247 K272 | G223-S245 CarbonylContact C-O 3.56Å; G223-S245 WeakPolarHBondContact CA-O 3.45Å; G223-S245 WeakPolarHBondContact O-CB 3.2Å; G223-S245 PolarHBondContact O-N 2.8Å; G223-S245 VanDerWaalsContact O-N 3.11Å; S245-A247 PolarHBondContact O-N 2.89Å; S245-A247 PolarHBondContact OG-N 3.19Å; S245-K272 VanDerWaalsContact CB-NZ 3.34Å; S245-K272 PolarHBondContact OG-NZ 3.09Å | ||
| 246 | P | 91.4 | Very high | 95.2 | Very high | 137 Ų | 137 | 62.4 Ų | 62.4 | 89% | 0.89 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -71.2 | -15.9 | 177 | 30.2 | -35.8 | 0 | 0 | 0 | 112.5 | ||
| 247 | A | 91.8 | Very high | 95.2 | Very high | 14 Ų | 14 | 61.5 Ų | 61.5 | 12% | 0.116 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -86.6 | 123.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S245 K272 V274 | S245-A247 PolarHBondContact O-N 2.89Å; S245-A247 PolarHBondContact OG-N 3.19Å; A247-K272 WeakPolarHBondContact O-CE 3.14Å; A247-K272 PolarHBondContact O-NZ 2.89Å; A247-V274 HydrophobicContact CB-CG1 3.8Å; A247-V274 HydrophobicContact CB-CG2 4.44Å |
| 248 | P | 93.3 | Very high | 95 | Very high | 47 Ų | 47 | 63.2 Ų | 63.2 | 31% | 0.305 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 140.1 | 177.7 | 29.3 | -35 | 0 | 0 | 0 | 111.3 | G221 D222 L276 | G221-P248 VanDerWaalsContact O-CB 3.22Å; G221-P248 WeakPolarHBondContact O-CB 3.4Å; D222-P248 CarbonylContact O-C 3.57Å; D222-P248 WeakPolarHBondContact O-CA 3.24Å; P248-L276 HydrophobicContact CG-CD1 4.29Å |
| 249 | Q | 93.7 | Very high | 94.9 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.019 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 133.2 | 173.9 | 65.3 | -150.3 | 17.6 | 0 | 0 | 111.8 | A218 G219 G221 D222 K272 | A218-Q249 VanDerWaalsContact CB-NE2 3.29Å; G219-Q249 WeakPolarHBondContact O-CG 3.45Å; G219-Q249 PolarHBondContact O-NE2 3.4Å; G221-Q249 PolarHBondContact N-O 3.26Å; D222-Q249 VanDerWaalsContact O-CG 3.29Å; D222-Q249 WeakPolarHBondContact O-CG 3.33Å; D222-Q249 PolarHBondContact O-N 3.04Å; Q249-K272 HydrophobicContact CB-CD 4.2Å; Q249-K272 HydrophobicContact CB-CG 3.78Å |
| 250 | K | 92.1 | Very high | 94.8 | Very high | 112 Ų | 112 | 56 Ų | 56 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -89.9 | -27 | 171.7 | -169.4 | 67.1 | 173.9 | -171.2 | 0 | 112.6 | K220 L273 T275 | K220-K250 WeakPolarHBondContact CE-O 3.5Å; K250-L273 HydrophobicContact CB-CD2 4.14Å; K250-L273 HydrophobicContact CB-CG 4.29Å; K250-L273 HydrophobicContact CG-CD2 4.44Å; K250-L273 PolarHBondContact N-O 3.3Å; K250-T275 HydrophobicContact CB-CG2 3.59Å; K250-T275 HydrophobicContact CG-CG2 3.82Å |
| 251 | G | 92.3 | Very high | 94.6 | Very high | 31 Ų | 31 | 56.9 Ų | 56.9 | 32% | 0.32 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.1 | 164.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110 | L273 | G251-L273 PolarHBondContact O-N 2.96Å |
| 252 | L | 95.4 | Very high | 94.5 | Very high | 38 Ų | 38 | 53.3 Ų | 53.3 | 20% | 0.199 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 128 | 179.6 | -72.7 | 163.6 | 0 | 0 | 0 | 108.3 | F207 A218 I225 F270 Y271 K272 | F207-L252 HydrophobicContact CE2-CD1 3.92Å; F207-L252 HydrophobicContact CZ-CB 4.03Å; F207-L252 HydrophobicContact CZ-CD1 4.24Å; A218-L252 HydrophobicContact CB-CD1 3.26Å; I225-L252 HydrophobicContact CD1-CD2 4.26Å; L252-F270 HydrophobicContact CB-CD1 4.26Å; L252-F270 HydrophobicContact CD1-CD1 4.3Å; L252-F270 HydrophobicContact CD1-CE1 4.48Å; L252-F270 HydrophobicContact CD2-CB 4.1Å; L252-F270 HydrophobicContact CD2-CD1 4Å; L252-F270 HydrophobicContact CD2-CG 4.31Å; L252-F270 HydrophobicContact CG-CD1 4.43Å; L252-Y271 WeakPolarHBondContact CA-O 3.36Å; L252-K272 HydrophobicContact CD2-CB 3.83Å; L252-K272 HydrophobicContact CD2-CG 4.15Å |
| 253 | G | 96.3 | Very high | 94.3 | Very high | 33 Ų | 33 | 55.9 Ų | 55.9 | 34% | 0.34 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 161.9 | 158 | 0 | 0 | 0 | 0 | 0 | 110 | F270 Y271 | G253-F270 CarbonylContact O-C 3.59Å; G253-F270 WeakPolarHBondContact O-CA 3.44Å; G253-Y271 PolarHBondContact N-O 2.97Å; G253-Y271 PolarHBondContact O-N 3.49Å |
| 254 | V | 97.4 | Very high | 94.1 | Very high | 53 Ų | 53 | 55.3 Ų | 55.3 | 32% | 0.321 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 139.7 | 177 | 173.5 | 0 | 0 | 0 | 0 | 108.7 | F207 Y268 F270 | F207-V254 HydrophobicContact CD1-CG2 3.57Å; F207-V254 HydrophobicContact CE1-CG2 3.75Å; F207-V254 HydrophobicContact CG-CG2 4.38Å; V254-Y268 HydrophobicContact CB-CE1 4.4Å; V254-Y268 HydrophobicContact CG1-CD1 4.41Å; V254-Y268 HydrophobicContact CG1-CE1 3.54Å; V254-Y268 HydrophobicContact CG1-CE2 4.23Å; V254-Y268 VanDerWaalsContact CG1-CZ 3.44Å; V254-Y268 WeakPolarHBondContact CG1-OH 3.19Å; V254-Y268 HydrophobicContact CG2-CE1 3.95Å; V254-F270 HydrophobicContact CG2-CD1 3.86Å; V254-F270 HydrophobicContact CG2-CE1 3.85Å |
| 255 | M | 97.6 | Very high | 94 | Very high | 42 Ų | 42 | 46.7 Ų | 46.7 | 21% | 0.207 | 31% | 0.305 | C | S | . | . | trans | -80.1 | 127.7 | 171.7 | -176.6 | 45.8 | 78.6 | 0 | 0 | 110.4 | G259 L260 R269 Y271 | M255-G259 VanDerWaalsContact SD-CA 3.57Å; M255-L260 HydrophobicContact CB-CD2 4.07Å; M255-L260 HydrophobicContact CG-CD2 3.89Å; M255-L260 HydrophobicContact CG-CG 4.5Å; M255-R269 HydrophobicContact CB-CB 3.8Å; M255-R269 PolarHBondContact N-O 2.51Å; M255-Y271 HydrophobicContact CB-CE2 4.05Å; M255-Y271 HydrophobicContact CE-CE2 3.81Å; M255-Y271 WeakPolarHBondContact CE-OH 3.42Å | ||
| 256 | P | 95.5 | Very high | 94.2 | Very high | 85 Ų | 85 | 45.8 Ų | 45.8 | 55% | 0.552 | 30% | 0.298 | S | S | * | . | trans | -57.9 | 154.2 | 165.8 | -24.6 | 35 | 0 | 0 | 0 | 112.2 | L258 G259 | P256-L258 PolarHBondContact O-N 3.28Å; P256-L258 VanDerWaalsContact O-N 3.09Å; P256-G259 PolarHBondContact O-N 2.91Å | ||
| 257 | K | 95.4 | Very high | 94.4 | Very high | 24 Ų | 24 | 39.6 Ų | 39.6 | 10% | 0.104 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -50.5 | -39.1 | -177.4 | -74.3 | -74.5 | -176.9 | 179.3 | 0 | 114 | D209 D211 G259 L260 V267 T302 L327 | D209-K257 VanDerWaalsContact CG-CE 3.47Å; D209-K257 WeakPolarHBondContact OD1-CE 3.37Å; D209-K257 IonicContact OD1-NZ 3.1Å; D209-K257 PolarHBondContact OD1-NZ 3.32Å; D209-K257 WeakPolarHBondContact OD2-CE 3.07Å; D209-K257 IonicContact OD2-NZ 3.46Å; D209-K257 PolarHBondContact OD2-NZ 2.85Å; D211-K257 WeakPolarHBondContact OD2-CD 3.46Å; D211-K257 WeakPolarHBondContact OD2-CE 3.46Å; D211-K257 WeakPolarHBondContact OD2-CG 3.47Å; D211-K257 IonicContact OD2-NZ 3.01Å; K257-G259 PolarHBondContact O-N 3.2Å; K257-L260 HydrophobicContact CD-CD1 3.79Å; K257-L260 WeakPolarHBondContact O-CB 3.34Å; K257-L260 WeakPolarHBondContact O-CG 3.19Å; K257-L260 PolarHBondContact O-N 3.22Å; K257-V267 PolarHBondContact NZ-O 2.87Å; K257-T302 HydrophobicContact CB-CG2 4.13Å; K257-L327 HydrophobicContact CB-CD1 4.41Å |
| 258 | L | 93.3 | Very high | 94.7 | Very high | 39 Ų | 39 | 39.9 Ų | 39.9 | 20% | 0.204 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -66.7 | -17.7 | -177.7 | -63.8 | 82.8 | 0 | 0 | 0 | 113.9 | P256 T305 M325 L327 Y331 | P256-L258 PolarHBondContact O-N 3.28Å; P256-L258 VanDerWaalsContact O-N 3.09Å; L258-T305 HydrophobicContact CD2-CG2 3.76Å; L258-M325 HydrophobicContact CD2-CE 4.16Å; L258-M325 HydrophobicContact CD2-SD 3.56Å; L258-M325 VanDerWaalsContact CD2-SD 3.56Å; L258-M325 HydrophobicContact CG-SD 4.22Å; L258-L327 HydrophobicContact CG-CD2 4.38Å; L258-Y331 HydrophobicContact CB-CD2 4.22Å; L258-Y331 HydrophobicContact CD2-CD2 3.57Å; L258-Y331 HydrophobicContact CD2-CE2 3.59Å; L258-Y331 HydrophobicContact CG-CD2 4.45Å |
| 259 | G | 94.1 | Very high | 95 | Very high | 32 Ų | 32 | 39.6 Ų | 39.6 | 33% | 0.33 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -102.4 | 9.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | M255 P256 K257 R269 | M255-G259 VanDerWaalsContact SD-CA 3.57Å; P256-G259 PolarHBondContact O-N 2.91Å; K257-G259 PolarHBondContact O-N 3.2Å; G259-R269 PolarHBondContact O-NH1 3.21Å |
| 260 | L | 95.4 | Very high | 95.2 | Very high | 17 Ų | 17 | 39.4 Ų | 39.4 | 9% | 0.089 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -79.5 | 152.2 | 175.9 | -60.8 | 179.2 | 0 | 0 | 0 | 111.9 | M255 K257 V262 E266 V267 R269 | M255-L260 HydrophobicContact CB-CD2 4.07Å; M255-L260 HydrophobicContact CG-CD2 3.89Å; M255-L260 HydrophobicContact CG-CG 4.5Å; K257-L260 HydrophobicContact CD-CD1 3.79Å; K257-L260 WeakPolarHBondContact O-CB 3.34Å; K257-L260 WeakPolarHBondContact O-CG 3.19Å; K257-L260 PolarHBondContact O-N 3.22Å; L260-V262 PolarHBondContact O-N 3.19Å; L260-E266 WeakPolarHBondContact CA-OE2 3.16Å; L260-E266 HydrophobicContact CD2-CG 4.27Å; L260-V267 VanDerWaalsContact CD1-C 3.45Å; L260-V267 WeakPolarHBondContact CD1-O 3.3Å; L260-R269 HydrophobicContact CD2-CB 3.78Å |
| 261 | D | 93.9 | Very high | 95.4 | Very high | 78 Ų | 78 | 37.7 Ų | 37.7 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | trans | -85.5 | 89.6 | 172.4 | -171.7 | -10.5 | 0 | 0 | 0 | 110.4 | A263 A264 E266 | D261-A263 VanDerWaalsContact C-N 3.26Å; D261-A263 PolarHBondContact O-N 2.84Å; D261-A263 PolarHBondContact OD1-N 2.7Å; D261-A264 HydrophobicContact CB-CB 4.07Å; D261-A264 PolarHBondContact O-N 3.09Å; D261-A264 PolarHBondContact OD1-N 3.48Å; D261-E266 HydrophobicContact CB-CB 4.35Å; D261-E266 PolarHBondContact N-OE2 2.97Å; D261-E266 VanDerWaalsContact O-CB 3.3Å; D261-E266 WeakPolarHBondContact O-CB 3.49Å; D261-E266 PolarHBondContact O-N 3.44Å; D261-E266 VanDerWaalsContact O-N 3.1Å | ||
| 262 | V | 93.4 | Very high | 95.5 | Very high | 30 Ų | 30 | 36.2 Ų | 36.2 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -34.9 | 179.6 | 175 | 0 | 0 | 0 | 0 | 111.9 | L260 A264 C265 Y294 Y299 L327 | L260-V262 PolarHBondContact O-N 3.19Å; V262-A264 VanDerWaalsContact C-N 3.27Å; V262-A264 PolarHBondContact O-N 2.85Å; V262-C265 PolarHBondContact O-N 2.94Å; V262-C265 VanDerWaalsContact O-N 3.1Å; V262-Y294 HydrophobicContact CG1-CD2 3.45Å; V262-Y294 VanDerWaalsContact CG1-CD2 3.45Å; V262-Y294 HydrophobicContact CG1-CE2 3.44Å; V262-Y294 VanDerWaalsContact CG1-CE2 3.44Å; V262-Y299 HydrophobicContact CB-CE2 4.34Å; V262-Y299 HydrophobicContact CG1-CD2 3.83Å; V262-Y299 HydrophobicContact CG1-CE2 3.67Å; V262-Y299 HydrophobicContact CG1-CG 4.41Å; V262-Y299 HydrophobicContact CG2-CE1 4.28Å; V262-L327 HydrophobicContact CG2-CB 4Å; V262-L327 HydrophobicContact CG2-CD1 4.31Å |
| 263 | A | 91.6 | Very high | 95.4 | Very high | 92 Ų | 92 | 37.7 Ų | 37.7 | 76% | 0.76 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -32.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D261 C265 | D261-A263 VanDerWaalsContact C-N 3.26Å; D261-A263 PolarHBondContact O-N 2.84Å; D261-A263 PolarHBondContact OD1-N 2.7Å; A263-C265 VanDerWaalsContact C-N 3.26Å; A263-C265 PolarHBondContact O-N 2.9Å |
| 264 | A | 92.9 | Very high | 95.1 | Very high | 42 Ų | 42 | 36.2 Ų | 36.2 | 35% | 0.347 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 5.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D261 V262 E266 I286 | D261-A264 HydrophobicContact CB-CB 4.07Å; D261-A264 PolarHBondContact O-N 3.09Å; D261-A264 PolarHBondContact OD1-N 3.48Å; V262-A264 VanDerWaalsContact C-N 3.27Å; V262-A264 PolarHBondContact O-N 2.85Å; A264-E266 PolarHBondContact O-N 3.07Å; A264-I286 VanDerWaalsContact O-CG2 3.29Å; A264-I286 WeakPolarHBondContact O-CG2 3.47Å |
| 265 | C | 95.2 | Very high | 94.4 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 5% | 0.054 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 32.1 | -171.8 | -62.6 | 0 | 0 | 0 | 0 | 113 | V262 A263 V267 I286 V287 I298 Y299 | V262-C265 PolarHBondContact O-N 2.94Å; V262-C265 VanDerWaalsContact O-N 3.1Å; A263-C265 VanDerWaalsContact C-N 3.26Å; A263-C265 PolarHBondContact O-N 2.9Å; C265-V267 PolarHBondContact O-N 3.41Å; C265-I286 HydrophobicContact CB-CG2 4.46Å; C265-I286 WeakPolarHBondContact O-CA 3.44Å; C265-V287 WeakPolarHBondContact CB-O 3.22Å; C265-V287 PolarHBondContact O-N 2.87Å; C265-I298 HydrophobicContact CB-CD1 4.17Å; C265-Y299 WeakPolarHBondContact CA-OH 3.04Å |
| 266 | E | 96 | Very high | 93.7 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 120.5 | 173.5 | -172 | -171.2 | -125.8 | 0 | 0 | 110.1 | L260 D261 A264 R269 S284 M285 I286 Y299 | L260-E266 WeakPolarHBondContact CA-OE2 3.16Å; L260-E266 HydrophobicContact CD2-CG 4.27Å; D261-E266 HydrophobicContact CB-CB 4.35Å; D261-E266 PolarHBondContact N-OE2 2.97Å; D261-E266 VanDerWaalsContact O-CB 3.3Å; D261-E266 WeakPolarHBondContact O-CB 3.49Å; D261-E266 PolarHBondContact O-N 3.44Å; D261-E266 VanDerWaalsContact O-N 3.1Å; A264-E266 PolarHBondContact O-N 3.07Å; E266-R269 IonicContact OE1-CZ 3.9Å; E266-R269 IonicContact OE1-NE 3.76Å; E266-R269 PolarHBondContact OE1-NE 3.31Å; E266-R269 IonicContact OE1-NH2 3.11Å; E266-R269 PolarHBondContact OE1-NH2 2.73Å; E266-R269 IonicContact OE2-CZ 3.53Å; E266-R269 IonicContact OE2-NE 3.74Å; E266-R269 PolarHBondContact OE2-NE 3.24Å; E266-R269 IonicContact OE2-NH2 3.32Å; E266-R269 PolarHBondContact OE2-NH2 3.11Å; E266-S284 WeakPolarHBondContact OE1-CB 3.21Å; E266-S284 PolarHBondContact OE1-OG 3.18Å; E266-M285 WeakPolarHBondContact CA-O 3.45Å; E266-I286 HydrophobicContact CB-CG1 4.35Å; E266-Y299 VanDerWaalsContact C-OH 3.27Å; E266-Y299 PolarHBondContact N-OH 3.07Å; E266-Y299 WeakPolarHBondContact O-CE1 3.13Å; E266-Y299 PolarHBondContact O-OH 2.93Å |
| 267 | V | 96.8 | Very high | 92.9 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 5% | 0.048 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -19 | -177.8 | -66.4 | 0 | 0 | 0 | 0 | 113.2 | T212 K257 L260 C265 M285 V287 I298 Y299 | T212-V267 HydrophobicContact CG2-CB 4.48Å; K257-V267 PolarHBondContact NZ-O 2.87Å; L260-V267 VanDerWaalsContact CD1-C 3.45Å; L260-V267 WeakPolarHBondContact CD1-O 3.3Å; C265-V267 PolarHBondContact O-N 3.41Å; V267-M285 HydrophobicContact CG2-CB 4.35Å; V267-M285 WeakPolarHBondContact CG2-O 3.35Å; V267-M285 PolarHBondContact N-O 2.71Å; V267-V287 HydrophobicContact CB-CG2 4.46Å; V267-V287 HydrophobicContact CG1-CG2 3.61Å; V267-V287 HydrophobicContact CG2-CG2 3.99Å; V267-I298 HydrophobicContact CG1-CB 4.35Å; V267-I298 HydrophobicContact CG1-CD1 4.18Å; V267-Y299 HydrophobicContact CG1-CE1 4.34Å |
| 268 | Y | 98.1 | Very high | 92.4 | Very high | 20 Ų | 20 | 45.6 Ų | 45.6 | 8% | 0.078 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 145.4 | 178.7 | -146.9 | -97.7 | 0 | 0 | 0 | 110.5 | F207 D209 Y216 V254 F270 M285 | F207-Y268 HydrophobicContact CB-CE1 4.45Å; F207-Y268 WeakPolarHBondContact CB-OH 2.91Å; D209-Y268 HydrophobicContact CB-CD2 4.04Å; D209-Y268 HydrophobicContact CB-CE2 3.93Å; Y216-Y268 HydrophobicContact CD2-CD1 4.05Å; Y216-Y268 HydrophobicContact CD2-CD2 4.31Å; Y216-Y268 HydrophobicContact CD2-CE1 4.07Å; Y216-Y268 HydrophobicContact CD2-CE2 4.33Å; Y216-Y268 HydrophobicContact CD2-CG 4.16Å; Y216-Y268 AromaticContact CE2-CD1 3.92Å; Y216-Y268 HydrophobicContact CE2-CD1 3.92Å; Y216-Y268 AromaticContact CE2-CD2 3.67Å; Y216-Y268 HydrophobicContact CE2-CD2 3.67Å; Y216-Y268 HydrophobicContact CE2-CE1 4.31Å; Y216-Y268 HydrophobicContact CE2-CE2 4.09Å; Y216-Y268 AromaticContact CE2-CG 3.57Å; Y216-Y268 HydrophobicContact CE2-CG 3.57Å; Y216-Y268 AromaticContact CZ-CG 3.9Å; Y216-Y268 WeakPolarHBondContact OH-CB 3.37Å; V254-Y268 HydrophobicContact CB-CE1 4.4Å; V254-Y268 HydrophobicContact CG1-CD1 4.41Å; V254-Y268 HydrophobicContact CG1-CE1 3.54Å; V254-Y268 HydrophobicContact CG1-CE2 4.23Å; V254-Y268 VanDerWaalsContact CG1-CZ 3.44Å; V254-Y268 WeakPolarHBondContact CG1-OH 3.19Å; V254-Y268 HydrophobicContact CG2-CE1 3.95Å; Y268-F270 AromaticContact CD1-CD2 3.99Å; Y268-F270 HydrophobicContact CD1-CD2 3.99Å; Y268-F270 HydrophobicContact CD1-CE1 4.3Å; Y268-F270 AromaticContact CD1-CE2 3.46Å; Y268-F270 HydrophobicContact CD1-CE2 3.46Å; Y268-F270 VanDerWaalsContact CD1-CE2 3.46Å; Y268-F270 AromaticContact CD1-CZ 3.64Å; Y268-F270 HydrophobicContact CD1-CZ 3.64Å; Y268-F270 HydrophobicContact CE1-CD1 4.36Å; Y268-F270 HydrophobicContact CE1-CD2 4.37Å; Y268-F270 AromaticContact CE1-CE1 3.73Å; Y268-F270 HydrophobicContact CE1-CE1 3.73Å; Y268-F270 AromaticContact CE1-CE2 3.73Å; Y268-F270 HydrophobicContact CE1-CE2 3.73Å; Y268-F270 AromaticContact CE1-CZ 3.36Å; Y268-F270 HydrophobicContact CE1-CZ 3.36Å; Y268-M285 WeakPolarHBondContact O-CB 3.06Å; Y268-M285 PolarHBondContact O-N 3.19Å |
| 269 | R | 98.3 | Very high | 92.2 | Very high | 40 Ų | 40 | 45.6 Ų | 45.6 | 15% | 0.151 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 126 | 175.7 | -171.8 | -167.3 | -64 | 147.8 | -3.5 | 111.3 | M255 G259 L260 E266 I283 | M255-R269 HydrophobicContact CB-CB 3.8Å; M255-R269 PolarHBondContact N-O 2.51Å; G259-R269 PolarHBondContact O-NH1 3.21Å; L260-R269 HydrophobicContact CD2-CB 3.78Å; E266-R269 IonicContact OE1-CZ 3.9Å; E266-R269 IonicContact OE1-NE 3.76Å; E266-R269 PolarHBondContact OE1-NE 3.31Å; E266-R269 IonicContact OE1-NH2 3.11Å; E266-R269 PolarHBondContact OE1-NH2 2.73Å; E266-R269 IonicContact OE2-CZ 3.53Å; E266-R269 IonicContact OE2-NE 3.74Å; E266-R269 PolarHBondContact OE2-NE 3.24Å; E266-R269 IonicContact OE2-NH2 3.32Å; E266-R269 PolarHBondContact OE2-NH2 3.11Å; R269-I283 CarbonylContact C-O 3.48Å; R269-I283 WeakPolarHBondContact CA-O 3.41Å |
| 270 | F | 98.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 152.4 | 171.8 | -67.9 | -84.7 | 0 | 0 | 0 | 111.6 | F207 Y216 I225 L252 G253 V254 Y268 P282 I283 M285 | F207-F270 HydrophobicContact CB-CE1 4.33Å; F207-F270 HydrophobicContact CB-CZ 4.39Å; F207-F270 HydrophobicContact CD1-CE1 4.33Å; F207-F270 AromaticContact CD2-CE1 3.84Å; F207-F270 HydrophobicContact CD2-CE1 3.84Å; F207-F270 HydrophobicContact CD2-CZ 4.36Å; F207-F270 HydrophobicContact CE2-CE1 4.17Å; F207-F270 AromaticContact CG-CE1 3.92Å; F207-F270 HydrophobicContact CG-CE1 3.92Å; F207-F270 HydrophobicContact CG-CZ 4.41Å; Y216-F270 AromaticContact CD1-CE2 3.93Å; Y216-F270 HydrophobicContact CD1-CE2 3.93Å; Y216-F270 HydrophobicContact CD1-CZ 4.22Å; Y216-F270 HydrophobicContact CD2-CZ 4.34Å; Y216-F270 AromaticContact CG-CE2 3.99Å; Y216-F270 HydrophobicContact CG-CE2 3.99Å; Y216-F270 AromaticContact CG-CZ 3.8Å; Y216-F270 HydrophobicContact CG-CZ 3.8Å; I225-F270 HydrophobicContact CD1-CD2 3.91Å; I225-F270 HydrophobicContact CD1-CE2 4.22Å; I225-F270 HydrophobicContact CD1-CG 4.06Å; I225-F270 HydrophobicContact CG2-CE2 4.12Å; I225-F270 HydrophobicContact CG2-CZ 4.23Å; L252-F270 HydrophobicContact CB-CD1 4.26Å; L252-F270 HydrophobicContact CD1-CD1 4.3Å; L252-F270 HydrophobicContact CD1-CE1 4.48Å; L252-F270 HydrophobicContact CD2-CB 4.1Å; L252-F270 HydrophobicContact CD2-CD1 4Å; L252-F270 HydrophobicContact CD2-CG 4.31Å; L252-F270 HydrophobicContact CG-CD1 4.43Å; G253-F270 CarbonylContact O-C 3.59Å; G253-F270 WeakPolarHBondContact O-CA 3.44Å; V254-F270 HydrophobicContact CG2-CD1 3.86Å; V254-F270 HydrophobicContact CG2-CE1 3.85Å; Y268-F270 AromaticContact CD1-CD2 3.99Å; Y268-F270 HydrophobicContact CD1-CD2 3.99Å; Y268-F270 HydrophobicContact CD1-CE1 4.3Å; Y268-F270 AromaticContact CD1-CE2 3.46Å; Y268-F270 HydrophobicContact CD1-CE2 3.46Å; Y268-F270 VanDerWaalsContact CD1-CE2 3.46Å; Y268-F270 AromaticContact CD1-CZ 3.64Å; Y268-F270 HydrophobicContact CD1-CZ 3.64Å; Y268-F270 HydrophobicContact CE1-CD1 4.36Å; Y268-F270 HydrophobicContact CE1-CD2 4.37Å; Y268-F270 AromaticContact CE1-CE1 3.73Å; Y268-F270 HydrophobicContact CE1-CE1 3.73Å; Y268-F270 AromaticContact CE1-CE2 3.73Å; Y268-F270 HydrophobicContact CE1-CE2 3.73Å; Y268-F270 AromaticContact CE1-CZ 3.36Å; Y268-F270 HydrophobicContact CE1-CZ 3.36Å; F270-P282 CarbonylContact O-C 3.54Å; F270-P282 VanDerWaalsContact O-CA 3.26Å; F270-P282 WeakPolarHBondContact O-CA 3.36Å; F270-I283 HydrophobicContact CB-CB 4.26Å; F270-I283 PolarHBondContact N-O 3.37Å; F270-I283 PolarHBondContact O-N 3.22Å; F270-M285 HydrophobicContact CD2-CE 3.71Å; F270-M285 HydrophobicContact CE2-CE 3.6Å; F270-M285 HydrophobicContact CE2-CG 4.36Å |
| 271 | Y | 96.6 | Very high | 92 | Very high | 76 Ų | 76 | 50.3 Ų | 50.3 | 30% | 0.298 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 92.8 | 165.5 | -70.6 | -86.3 | 0 | 0 | 0 | 108.6 | L252 G253 M255 I280 P282 | L252-Y271 WeakPolarHBondContact CA-O 3.36Å; G253-Y271 PolarHBondContact N-O 2.97Å; G253-Y271 PolarHBondContact O-N 3.49Å; M255-Y271 HydrophobicContact CB-CE2 4.05Å; M255-Y271 HydrophobicContact CE-CE2 3.81Å; M255-Y271 WeakPolarHBondContact CE-OH 3.42Å; Y271-I280 HydrophobicContact CD1-CG2 3.86Å; Y271-I280 HydrophobicContact CG-CG2 4.29Å; Y271-P282 HydrophobicContact CD1-CG 4.32Å; Y271-P282 HydrophobicContact CE1-CB 4.37Å; Y271-P282 HydrophobicContact CE1-CG 4.2Å |
| 272 | K | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 120.4 | -175.8 | -179.6 | 178.3 | 172 | 174.6 | 0 | 111.2 | G223 S245 A247 Q249 L252 V274 I280 E281 I283 | G223-K272 PolarHBondContact O-NZ 2.84Å; S245-K272 VanDerWaalsContact CB-NZ 3.34Å; S245-K272 PolarHBondContact OG-NZ 3.09Å; A247-K272 WeakPolarHBondContact O-CE 3.14Å; A247-K272 PolarHBondContact O-NZ 2.89Å; Q249-K272 HydrophobicContact CB-CD 4.2Å; Q249-K272 HydrophobicContact CB-CG 3.78Å; L252-K272 HydrophobicContact CD2-CB 3.83Å; L252-K272 HydrophobicContact CD2-CG 4.15Å; K272-V274 HydrophobicContact CD-CG2 4.18Å; K272-V274 HydrophobicContact CG-CG2 3.95Å; K272-V274 PolarHBondContact O-N 2.83Å; K272-I280 WeakPolarHBondContact O-CA 3.44Å; K272-E281 HydrophobicContact CB-CB 4.4Å; K272-E281 WeakPolarHBondContact CB-O 3.5Å; K272-E281 PolarHBondContact N-O 3.1Å; K272-E281 PolarHBondContact O-N 2.63Å; K272-I283 HydrophobicContact CB-CD1 3.76Å; K272-I283 HydrophobicContact CD-CD1 3.64Å; K272-I283 HydrophobicContact CG-CD1 4.34Å |
| 273 | L | 93.3 | Very high | 92.3 | Very high | 69 Ų | 69 | 47.9 Ų | 47.9 | 36% | 0.361 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 110.1 | 174 | 179.1 | 62.6 | 0 | 0 | 0 | 110.3 | K250 G251 T275 I280 | K250-L273 HydrophobicContact CB-CD2 4.14Å; K250-L273 HydrophobicContact CB-CG 4.29Å; K250-L273 HydrophobicContact CG-CD2 4.44Å; K250-L273 PolarHBondContact N-O 3.3Å; G251-L273 PolarHBondContact O-N 2.96Å; L273-T275 HydrophobicContact CG-CG2 4.39Å; L273-I280 HydrophobicContact CD1-CG1 4.26Å |
| 274 | V | 89.9 | Confident | 92.5 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 96 | 179.8 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | A247 K272 L276 K277 G278 L279 E281 | A247-V274 HydrophobicContact CB-CG1 3.8Å; A247-V274 HydrophobicContact CB-CG2 4.44Å; K272-V274 HydrophobicContact CD-CG2 4.18Å; K272-V274 HydrophobicContact CG-CG2 3.95Å; K272-V274 PolarHBondContact O-N 2.83Å; V274-L276 PolarHBondContact O-N 3.1Å; V274-K277 HydrophobicContact CG1-CB 4.26Å; V274-K277 HydrophobicContact CG1-CD 4.46Å; V274-K277 HydrophobicContact CG1-CG 4.31Å; V274-K277 PolarHBondContact O-N 3.34Å; V274-G278 PolarHBondContact O-N 2.8Å; V274-L279 HydrophobicContact CB-CD1 4.12Å; V274-L279 HydrophobicContact CB-CG 4.46Å; V274-L279 HydrophobicContact CG2-CD1 4.34Å; V274-L279 PolarHBondContact N-O 3.18Å; V274-L279 PolarHBondContact O-N 3.07Å; V274-E281 HydrophobicContact CG2-CB 4.34Å |
| 275 | T | 81 | Confident | 92.8 | Very high | 78 Ų | 78 | 44.8 Ų | 44.8 | 48% | 0.479 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -68.2 | -35.2 | -172.6 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | K250 L273 K277 G278 | K250-T275 HydrophobicContact CB-CG2 3.59Å; K250-T275 HydrophobicContact CG-CG2 3.82Å; L273-T275 HydrophobicContact CG-CG2 4.39Å; T275-K277 PolarHBondContact O-N 3.46Å; T275-K277 VanDerWaalsContact O-N 3.12Å; T275-G278 PolarHBondContact O-N 3.08Å |
| 276 | L | 83.3 | Confident | 92.8 | Very high | 142 Ų | 142 | 48.9 Ų | 48.9 | 74% | 0.743 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -58.2 | -28 | 179.4 | -68.3 | 174.2 | 0 | 0 | 0 | 112.5 | P248 V274 | P248-L276 HydrophobicContact CG-CD1 4.29Å; V274-L276 PolarHBondContact O-N 3.1Å |
| 277 | K | 79.8 | Confident | 92.8 | Very high | 149 Ų | 149 | 50.7 Ų | 50.7 | 65% | 0.648 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -107.8 | -4.3 | 178.4 | -63.1 | -177.1 | 179.7 | 179.9 | 0 | 113 | V274 T275 L279 | V274-K277 HydrophobicContact CG1-CB 4.26Å; V274-K277 HydrophobicContact CG1-CD 4.46Å; V274-K277 HydrophobicContact CG1-CG 4.31Å; V274-K277 PolarHBondContact O-N 3.34Å; T275-K277 PolarHBondContact O-N 3.46Å; T275-K277 VanDerWaalsContact O-N 3.12Å; K277-L279 VanDerWaalsContact C-N 3.26Å; K277-L279 HydrophobicContact CB-CD2 3.61Å; K277-L279 HydrophobicContact CB-CG 3.79Å; K277-L279 HydrophobicContact CD-CD2 3.95Å; K277-L279 HydrophobicContact CG-CD2 4.44Å; K277-L279 PolarHBondContact O-N 3.34Å |
| 278 | G | 84.5 | Confident | 92.6 | Very high | 33 Ų | 33 | 56.1 Ų | 56.1 | 34% | 0.34 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 35.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R4 V274 T275 | R4-G278 WeakPolarHBondContact CB-O 3.44Å; R4-G278 VanDerWaalsContact CG-O 3.31Å; R4-G278 WeakPolarHBondContact CG-O 3.49Å; V274-G278 PolarHBondContact O-N 2.8Å; T275-G278 PolarHBondContact O-N 3.08Å |
| 279 | L | 88.5 | Confident | 92.2 | Very high | 39 Ų | 39 | 60.2 Ų | 60.2 | 20% | 0.204 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 162.7 | -175.7 | 68.3 | 79.7 | 0 | 0 | 0 | 112.7 | G3 V274 K277 E281 | G3-L279 WeakPolarHBondContact O-CA 3.43Å; G3-L279 WeakPolarHBondContact O-CB 3.43Å; V274-L279 HydrophobicContact CB-CD1 4.12Å; V274-L279 HydrophobicContact CB-CG 4.46Å; V274-L279 HydrophobicContact CG2-CD1 4.34Å; V274-L279 PolarHBondContact N-O 3.18Å; V274-L279 PolarHBondContact O-N 3.07Å; K277-L279 VanDerWaalsContact C-N 3.26Å; K277-L279 HydrophobicContact CB-CD2 3.61Å; K277-L279 HydrophobicContact CB-CG 3.79Å; K277-L279 HydrophobicContact CD-CD2 3.95Å; K277-L279 HydrophobicContact CG-CD2 4.44Å; K277-L279 PolarHBondContact O-N 3.34Å; L279-E281 HydrophobicContact CD1-CB 3.79Å |
| 280 | I | 92.9 | Very high | 91.3 | Very high | 82 Ų | 82 | 70.6 Ų | 70.6 | 42% | 0.421 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 125.1 | 166.5 | -61.4 | 173.8 | 0 | 0 | 0 | 108.2 | G3 Y271 K272 L273 | G3-I280 PolarHBondContact O-N 2.86Å; Y271-I280 HydrophobicContact CD1-CG2 3.86Å; Y271-I280 HydrophobicContact CG-CG2 4.29Å; K272-I280 WeakPolarHBondContact O-CA 3.44Å; L273-I280 HydrophobicContact CD1-CG1 4.26Å |
| 281 | E | 93.2 | Very high | 90.2 | Very high | 65 Ų | 65 | 72.8 Ų | 72.8 | 30% | 0.304 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 113 | 179.5 | -179 | 175.1 | -152.5 | 0 | 0 | 109.6 | K272 V274 L279 I283 | K272-E281 HydrophobicContact CB-CB 4.4Å; K272-E281 WeakPolarHBondContact CB-O 3.5Å; K272-E281 PolarHBondContact N-O 3.1Å; K272-E281 PolarHBondContact O-N 2.63Å; V274-E281 HydrophobicContact CG2-CB 4.34Å; L279-E281 HydrophobicContact CD1-CB 3.79Å; E281-I283 HydrophobicContact CG-CG1 4.43Å |
| 282 | P | 95.6 | Very high | 89.3 | Confident | 47 Ų | 47 | 77.8 Ų | 77.8 | 31% | 0.305 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 134.4 | 170.2 | -17.6 | 32 | 0 | 0 | 0 | 110.8 | F270 Y271 | F270-P282 CarbonylContact O-C 3.54Å; F270-P282 VanDerWaalsContact O-CA 3.26Å; F270-P282 WeakPolarHBondContact O-CA 3.36Å; Y271-P282 HydrophobicContact CD1-CG 4.32Å; Y271-P282 HydrophobicContact CE1-CB 4.37Å; Y271-P282 HydrophobicContact CE1-CG 4.2Å |
| 283 | I | 96.8 | Very high | 89 | Confident | 10 Ų | 10 | 82.2 Ų | 82.2 | 5% | 0.051 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 110.3 | 175.7 | -57.1 | 165.6 | 0 | 0 | 0 | 107.9 | I225 F243 R269 F270 K272 E281 M285 | I225-I283 HydrophobicContact CD1-CD1 4.08Å; F243-I283 HydrophobicContact CD1-CD1 4.15Å; F243-I283 HydrophobicContact CD1-CG2 4.43Å; F243-I283 HydrophobicContact CD2-CG2 4.09Å; F243-I283 HydrophobicContact CE1-CD1 3.54Å; F243-I283 HydrophobicContact CE1-CG1 4.33Å; F243-I283 HydrophobicContact CE1-CG2 4.45Å; F243-I283 HydrophobicContact CE2-CG2 4.11Å; F243-I283 HydrophobicContact CG-CG2 4.25Å; F243-I283 HydrophobicContact CZ-CD1 3.86Å; F243-I283 HydrophobicContact CZ-CG1 4.17Å; F243-I283 HydrophobicContact CZ-CG2 4.28Å; R269-I283 CarbonylContact C-O 3.48Å; R269-I283 WeakPolarHBondContact CA-O 3.41Å; F270-I283 HydrophobicContact CB-CB 4.26Å; F270-I283 PolarHBondContact N-O 3.37Å; F270-I283 PolarHBondContact O-N 3.22Å; K272-I283 HydrophobicContact CB-CD1 3.76Å; K272-I283 HydrophobicContact CD-CD1 3.64Å; K272-I283 HydrophobicContact CG-CD1 4.34Å; E281-I283 HydrophobicContact CG-CG1 4.43Å; I283-M285 HydrophobicContact CG2-CE 4.15Å |
| 284 | S | 97.3 | Very high | 88.9 | Confident | 56 Ų | 56 | 81.2 Ų | 81.2 | 39% | 0.392 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 129.4 | 176.7 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | E266 | E266-S284 WeakPolarHBondContact OE1-CB 3.21Å; E266-S284 PolarHBondContact OE1-OG 3.18Å |
| 285 | M | 97.6 | Very high | 89 | Confident | 13 Ų | 13 | 82.1 Ų | 82.1 | 6% | 0.064 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 112.1 | 168.8 | -56.8 | -61 | -176.6 | 0 | 0 | 107.4 | Y216 I225 Y227 F243 E266 V267 Y268 F270 I283 | Y216-M285 HydrophobicContact CD1-CE 4.16Å; Y216-M285 HydrophobicContact CD1-CG 4.36Å; Y216-M285 HydrophobicContact CE1-CB 4.24Å; Y216-M285 HydrophobicContact CE1-CE 4.31Å; Y216-M285 HydrophobicContact CE1-CG 3.67Å; Y216-M285 HydrophobicContact CE1-SD 4.23Å; I225-M285 HydrophobicContact CB-CE 4.32Å; I225-M285 HydrophobicContact CD1-CE 4.29Å; I225-M285 HydrophobicContact CG2-CE 4.06Å; Y227-M285 HydrophobicContact CD1-CE 4.47Å; Y227-M285 HydrophobicContact CE1-CE 4.36Å; Y227-M285 HydrophobicContact CE1-SD 4.16Å; F243-M285 HydrophobicContact CB-CE 4.32Å; E266-M285 WeakPolarHBondContact CA-O 3.45Å; V267-M285 HydrophobicContact CG2-CB 4.35Å; V267-M285 WeakPolarHBondContact CG2-O 3.35Å; V267-M285 PolarHBondContact N-O 2.71Å; Y268-M285 WeakPolarHBondContact O-CB 3.06Å; Y268-M285 PolarHBondContact O-N 3.19Å; F270-M285 HydrophobicContact CD2-CE 3.71Å; F270-M285 HydrophobicContact CE2-CE 3.6Å; F270-M285 HydrophobicContact CE2-CG 4.36Å; I283-M285 HydrophobicContact CG2-CE 4.15Å |
| 286 | I | 95.9 | Very high | 89.5 | Confident | 94 Ų | 94 | 84.3 Ų | 84.3 | 48% | 0.482 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 131.9 | -171 | -65.9 | 169.5 | 0 | 0 | 0 | 109.4 | A264 C265 E266 P288 | A264-I286 VanDerWaalsContact O-CG2 3.29Å; A264-I286 WeakPolarHBondContact O-CG2 3.47Å; C265-I286 HydrophobicContact CB-CG2 4.46Å; C265-I286 WeakPolarHBondContact O-CA 3.44Å; E266-I286 HydrophobicContact CB-CG1 4.35Å; I286-P288 WeakPolarHBondContact O-CD 3.43Å |
| 287 | V | 95.1 | Very high | 90 | Very high | 41 Ų | 41 | 82.1 Ų | 82.1 | 25% | 0.248 | 42% | 0.422 | C | S | . | . | trans | -84.4 | 115.4 | 167.6 | -178.9 | 0 | 0 | 0 | 0 | 107.8 | C265 V267 R289 I298 | C265-V287 WeakPolarHBondContact CB-O 3.22Å; C265-V287 PolarHBondContact O-N 2.87Å; V267-V287 HydrophobicContact CB-CG2 4.46Å; V267-V287 HydrophobicContact CG1-CG2 3.61Å; V267-V287 HydrophobicContact CG2-CG2 3.99Å; V287-R289 HydrophobicContact CG1-CG 4.15Å; V287-R289 PolarHBondContact O-N 2.95Å; V287-I298 HydrophobicContact CB-CD1 4.09Å; V287-I298 HydrophobicContact CG1-CD1 4.49Å; V287-I298 HydrophobicContact CG2-CD1 4.36Å | ||
| 288 | P | 92.7 | Very high | 90.7 | Very high | 122 Ų | 122 | 75.9 Ų | 75.9 | 79% | 0.792 | 40% | 0.396 | S | S | * | . | trans | -71.5 | 100.4 | -175.4 | 28.3 | -33.8 | 0 | 0 | 0 | 110.8 | I286 | I286-P288 WeakPolarHBondContact O-CD 3.43Š| ||
| 289 | R | 91.2 | Very high | 91.2 | Very high | 106 Ų | 106 | 74.6 Ų | 74.6 | 40% | 0.4 | 38% | 0.381 | S | S | . | . | trans | -116 | 150.2 | 174.8 | -64.7 | -70.1 | 178.9 | 109.5 | -5.5 | 110.5 | V287 Q295 D297 | V287-R289 HydrophobicContact CG1-CG 4.15Å; V287-R289 PolarHBondContact O-N 2.95Å; R289-Q295 HydrophobicContact CG-CG 4.44Å; R289-Q295 VanDerWaalsContact NH1-OE1 3.11Å; R289-D297 IonicContact CZ-OD2 2.7Å; R289-D297 VanDerWaalsContact CZ-OD2 3.24Å; R289-D297 IonicContact NH1-OD1 3.72Å; R289-D297 PolarHBondContact NH1-OD1 2.9Å; R289-D297 IonicContact NH1-OD2 3.77Å; R289-D297 PolarHBondContact NH1-OD2 3.39Å; R289-D297 IonicContact NH2-OD2 2.69Å; R289-D297 PolarHBondContact NH2-OD2 2.95Å | ||
| 290 | R | 78.6 | Confident | 91.6 | Very high | 259 Ų | 259 | 75.1 Ų | 75.1 | 98% | 0.977 | 39% | 0.386 | S | S | * | . | trans | -108.3 | 70.5 | 171.9 | -65.8 | -176.4 | -176.4 | 179.8 | 1.3 | 108.7 | ||||
| 291 | S | 75.6 | Confident | 91.7 | Very high | 46 Ų | 46 | 76 Ų | 76 | 32% | 0.322 | 39% | 0.39 | S | S | . | . | trans | -154.7 | 139.7 | 173.7 | -167.3 | 0 | 0 | 0 | 0 | 110.3 | T293 | S291-T293 PolarHBondContact OG-N 3.17Å; S291-T293 PolarHBondContact OG-OG1 2.86Å | ||
| 292 | D | 77.7 | Confident | 91.8 | Very high | 180 Ų | 180 | 73.2 Ų | 73.2 | 96% | 0.963 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -87.7 | 3 | 172 | -56.4 | -43.9 | 0 | 0 | 0 | 111.7 | ||
| 293 | T | 88.5 | Confident | 91.8 | Very high | 93 Ų | 93 | 73.1 Ų | 73.1 | 57% | 0.571 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -92 | 150.1 | 179 | 67.2 | 0 | 0 | 0 | 0 | 111.8 | S291 Q295 | S291-T293 PolarHBondContact OG-N 3.17Å; S291-T293 PolarHBondContact OG-OG1 2.86Å; T293-Q295 PolarHBondContact O-N 3.49Å; T293-Q295 PolarHBondContact O-NE2 3.11Å; T293-Q295 PolarHBondContact OG1-NE2 3.2Å |
| 294 | Y | 90.5 | Very high | 91.6 | Very high | 49 Ų | 49 | 73.2 Ų | 73.2 | 19% | 0.192 | 38% | 0.384 | C | S | . | . | trans | -53.9 | 133.5 | 169.8 | -175.2 | -98.2 | 0 | 0 | 0 | 111.3 | V262 E296 Y299 L327 K328 | V262-Y294 HydrophobicContact CG1-CD2 3.45Å; V262-Y294 VanDerWaalsContact CG1-CD2 3.45Å; V262-Y294 HydrophobicContact CG1-CE2 3.44Å; V262-Y294 VanDerWaalsContact CG1-CE2 3.44Å; Y294-E296 HydrophobicContact CD1-CB 4.44Å; Y294-E296 HydrophobicContact CD1-CG 3.51Å; Y294-E296 HydrophobicContact CE1-CB 4.31Å; Y294-E296 HydrophobicContact CE1-CG 3.66Å; Y294-Y299 HydrophobicContact CE2-CD2 4.16Å; Y294-Y299 HydrophobicContact CE2-CG 4.34Å; Y294-Y299 WeakPolarHBondContact OH-CB 3.37Å; Y294-Y299 PolarHBondContact OH-O 2.91Å; Y294-L327 HydrophobicContact CE2-CB 4.2Å; Y294-L327 PolarHBondContact OH-N 2.92Å; Y294-K328 HydrophobicContact CD1-CB 4.05Å; Y294-K328 HydrophobicContact CD1-CD 4.04Å; Y294-K328 HydrophobicContact CD1-CG 3.92Å; Y294-K328 HydrophobicContact CD2-CB 4.01Å; Y294-K328 HydrophobicContact CD2-CG 4.11Å; Y294-K328 HydrophobicContact CE1-CB 3.92Å; Y294-K328 HydrophobicContact CE1-CD 4.43Å; Y294-K328 HydrophobicContact CE1-CG 4.3Å; Y294-K328 HydrophobicContact CE2-CB 3.86Å; Y294-K328 HydrophobicContact CE2-CG 4.46Å; Y294-K328 HydrophobicContact CG-CB 4.09Å; Y294-K328 HydrophobicContact CG-CD 4.37Å; Y294-K328 HydrophobicContact CG-CG 3.81Å | ||
| 295 | Q | 93 | Very high | 91.3 | Very high | 21 Ų | 21 | 71.7 Ų | 71.7 | 10% | 0.098 | 37% | 0.373 | C | S | . | . | trans | -102 | 89.1 | -176 | -58.5 | -64.1 | -69.5 | 0 | 0 | 110.1 | R289 T293 D297 I298 Y299 | R289-Q295 HydrophobicContact CG-CG 4.44Å; R289-Q295 VanDerWaalsContact NH1-OE1 3.11Å; T293-Q295 PolarHBondContact O-N 3.49Å; T293-Q295 PolarHBondContact O-NE2 3.11Å; T293-Q295 PolarHBondContact OG1-NE2 3.2Å; Q295-D297 PolarHBondContact O-N 3.38Å; Q295-I298 HydrophobicContact CB-CD1 3.84Å; Q295-I298 HydrophobicContact CB-CG1 3.56Å; Q295-I298 HydrophobicContact CG-CD1 4.26Å; Q295-I298 HydrophobicContact CG-CG1 4.49Å; Q295-I298 PolarHBondContact O-N 3.23Å; Q295-Y299 HydrophobicContact CB-CD2 4.25Å; Q295-Y299 HydrophobicContact CB-CE2 4.42Å; Q295-Y299 VanDerWaalsContact O-CD2 3.27Å; Q295-Y299 WeakPolarHBondContact O-CD2 3.49Å; Q295-Y299 PolarHBondContact O-N 2.7Å | ||
| 296 | E | 92.3 | Very high | 91.1 | Very high | 123 Ų | 123 | 76.9 Ų | 76.9 | 58% | 0.575 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -25.1 | -174.8 | -63.7 | -175.6 | 173 | 0 | 0 | 113.4 | Y294 Y299 K328 | Y294-E296 HydrophobicContact CD1-CB 4.44Å; Y294-E296 HydrophobicContact CD1-CG 3.51Å; Y294-E296 HydrophobicContact CE1-CB 4.31Å; Y294-E296 HydrophobicContact CE1-CG 3.66Å; E296-Y299 CarbonylContact O-C 3.51Å; E296-K328 IonicContact OE1-NZ 3.42Å; E296-K328 PolarHBondContact OE1-NZ 3.1Å |
| 297 | D | 92.9 | Very high | 91.1 | Very high | 97 Ų | 97 | 73.8 Ų | 73.8 | 52% | 0.519 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -29.6 | -178.9 | 62.4 | -47.6 | 0 | 0 | 0 | 114 | R289 Q295 | R289-D297 IonicContact CZ-OD2 2.7Å; R289-D297 VanDerWaalsContact CZ-OD2 3.24Å; R289-D297 IonicContact NH1-OD1 3.72Å; R289-D297 PolarHBondContact NH1-OD1 2.9Å; R289-D297 IonicContact NH1-OD2 3.77Å; R289-D297 PolarHBondContact NH1-OD2 3.39Å; R289-D297 IonicContact NH2-OD2 2.69Å; R289-D297 PolarHBondContact NH2-OD2 2.95Å; Q295-D297 PolarHBondContact O-N 3.38Å |
| 298 | I | 94.2 | Very high | 91.2 | Very high | 18 Ų | 18 | 72.4 Ų | 72.4 | 9% | 0.092 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -4.4 | 177.7 | 63.1 | 170.8 | 0 | 0 | 0 | 113.1 | C265 V267 V287 Q295 P300 | C265-I298 HydrophobicContact CB-CD1 4.17Å; V267-I298 HydrophobicContact CG1-CB 4.35Å; V267-I298 HydrophobicContact CG1-CD1 4.18Å; V287-I298 HydrophobicContact CB-CD1 4.09Å; V287-I298 HydrophobicContact CG1-CD1 4.49Å; V287-I298 HydrophobicContact CG2-CD1 4.36Å; Q295-I298 HydrophobicContact CB-CD1 3.84Å; Q295-I298 HydrophobicContact CB-CG1 3.56Å; Q295-I298 HydrophobicContact CG-CD1 4.26Å; Q295-I298 HydrophobicContact CG-CG1 4.49Å; Q295-I298 PolarHBondContact O-N 3.23Å; I298-P300 VanDerWaalsContact C-CD 3.49Å |
| 299 | Y | 95.6 | Very high | 91.4 | Very high | 6 Ų | 6 | 66.8 Ų | 66.8 | 2% | 0.024 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -129.6 | 68.7 | 176.2 | -59.4 | -63.6 | 0 | 0 | 0 | 110.6 | V262 C265 E266 V267 Y294 Q295 E296 L327 | V262-Y299 HydrophobicContact CB-CE2 4.34Å; V262-Y299 HydrophobicContact CG1-CD2 3.83Å; V262-Y299 HydrophobicContact CG1-CE2 3.67Å; V262-Y299 HydrophobicContact CG1-CG 4.41Å; V262-Y299 HydrophobicContact CG2-CE1 4.28Å; C265-Y299 WeakPolarHBondContact CA-OH 3.04Å; E266-Y299 VanDerWaalsContact C-OH 3.27Å; E266-Y299 PolarHBondContact N-OH 3.07Å; E266-Y299 WeakPolarHBondContact O-CE1 3.13Å; E266-Y299 PolarHBondContact O-OH 2.93Å; V267-Y299 HydrophobicContact CG1-CE1 4.34Å; Y294-Y299 HydrophobicContact CE2-CD2 4.16Å; Y294-Y299 HydrophobicContact CE2-CG 4.34Å; Y294-Y299 WeakPolarHBondContact OH-CB 3.37Å; Y294-Y299 PolarHBondContact OH-O 2.91Å; Q295-Y299 HydrophobicContact CB-CD2 4.25Å; Q295-Y299 HydrophobicContact CB-CE2 4.42Å; Q295-Y299 VanDerWaalsContact O-CD2 3.27Å; Q295-Y299 WeakPolarHBondContact O-CD2 3.49Å; Q295-Y299 PolarHBondContact O-N 2.7Å; E296-Y299 CarbonylContact O-C 3.51Å; Y299-L327 HydrophobicContact CD1-CD1 3.95Å |
| 300 | P | 95.9 | Very high | 91.7 | Very high | 50 Ų | 50 | 63.4 Ų | 63.4 | 33% | 0.325 | 33% | 0.331 | S | S | . | . | trans | -64.8 | 175.2 | 171.3 | 32.5 | -36.6 | 0 | 0 | 0 | 110.5 | D211 I298 T302 | D211-P300 HydrophobicContact CB-CG 3.82Å; D211-P300 WeakPolarHBondContact O-CG 3.48Å; I298-P300 VanDerWaalsContact C-CD 3.49Å; P300-T302 PolarHBondContact O-N 3.5Å | ||
| 301 | M | 95.5 | Very high | 92.5 | Very high | 100 Ų | 100 | 51.1 Ų | 51.1 | 49% | 0.493 | 29% | 0.285 | S | S | . | . | trans | -58.8 | 122.5 | 172.6 | -65.6 | -65.6 | -71.7 | 0 | 0 | 109.7 | L324 M325 | M301-L324 HydrophobicContact CB-CB 3.95Å; M301-L324 HydrophobicContact CB-CD1 4.05Å; M301-L324 HydrophobicContact CE-CB 4.2Å; M301-M325 WeakPolarHBondContact CA-O 3.4Å; M301-M325 VanDerWaalsContact CE-C 3.5Å | ||
| 302 | T | 95.6 | Very high | 93.5 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 162.3 | -175.3 | -166.1 | 0 | 0 | 0 | 0 | 110.9 | D211 K257 P300 G304 L324 M325 L327 | D211-T302 PolarHBondContact OD1-OG1 3.27Å; D211-T302 WeakPolarHBondContact OD2-CB 3.32Å; D211-T302 PolarHBondContact OD2-OG1 2.8Å; K257-T302 HydrophobicContact CB-CG2 4.13Å; P300-T302 PolarHBondContact O-N 3.5Å; T302-G304 PolarHBondContact O-N 3.31Å; T302-L324 CarbonylContact O-C 3.53Å; T302-L324 VanDerWaalsContact O-CA 3.22Å; T302-L324 WeakPolarHBondContact O-CA 3.25Å; T302-M325 HydrophobicContact CG2-CG 4.39Å; T302-M325 PolarHBondContact N-O 2.88Å; T302-M325 PolarHBondContact O-N 3.42Å; T302-L327 HydrophobicContact CG2-CD1 4.33Å; T302-L327 HydrophobicContact CG2-CD2 3.87Å; T302-L327 HydrophobicContact CG2-CG 3.99Å |
| 303 | A | 95.1 | Very high | 94.4 | Very high | 46 Ų | 46 | 46.3 Ų | 46.3 | 38% | 0.38 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 122 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P322 | A303-P322 HydrophobicContact CB-CB 3.81Å; A303-P322 HydrophobicContact CB-CG 4.35Å |
| 304 | G | 92.9 | Very high | 94.9 | Very high | 12 Ų | 12 | 42 Ų | 42 | 12% | 0.124 | 23% | 0.233 | C | C | . | . | trans | -85.6 | -173.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T302 V323 M325 | T302-G304 PolarHBondContact O-N 3.31Å; G304-V323 PolarHBondContact N-O 3.25Å; G304-M325 VanDerWaalsContact CA-SD 3.55Å | ||
| 305 | T | 91.6 | Very high | 95.2 | Very high | 24 Ų | 24 | 42.7 Ų | 42.7 | 15% | 0.147 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -91 | 0.7 | 178.6 | 56.1 | 0 | 0 | 0 | 0 | 113.4 | F27 L258 Y331 | F27-T305 WeakPolarHBondContact CA-O 3.35Å; F27-T305 WeakPolarHBondContact CB-O 3.4Å; F27-T305 WeakPolarHBondContact CD1-O 3.38Å; L258-T305 HydrophobicContact CD2-CG2 3.76Å; T305-Y331 HydrophobicContact CG2-CE2 4.41Å |
| 306 | E | 93.5 | Very high | 95.4 | Very high | 122 Ų | 122 | 45.8 Ų | 45.8 | 57% | 0.57 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -85 | 122.5 | 175.8 | -173.9 | 176 | 170.6 | 0 | 0 | 109.9 | A308 V323 | E306-A308 PolarHBondContact O-N 3.46Å; E306-V323 HydrophobicContact CB-CB 4.09Å; E306-V323 HydrophobicContact CB-CG1 4.18Å; E306-V323 HydrophobicContact CB-CG2 4.29Å; E306-V323 HydrophobicContact CG-CG2 4.2Å |
| 307 | P | 95.6 | Very high | 95.6 | Very high | 28 Ų | 28 | 41.9 Ų | 41.9 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | trans | -69.3 | 131.8 | 175.4 | 28.6 | -32.9 | 0 | 0 | 0 | 110.3 | F27 L309 | F27-P307 HydrophobicContact CD1-CB 3.91Å; F27-P307 HydrophobicContact CD2-CB 4.5Å; F27-P307 HydrophobicContact CE1-CB 3.91Å; F27-P307 HydrophobicContact CE2-CB 4.47Å; F27-P307 HydrophobicContact CG-CB 4.2Å; F27-P307 HydrophobicContact CZ-CB 4.18Å; P307-L309 VanDerWaalsContact C-N 3.27Å; P307-L309 PolarHBondContact O-N 3.17Å | ||
| 308 | A | 97.4 | Very high | 95.8 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 10% | 0.099 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -73.4 | -23.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T77 E306 R320 D321 V323 | T77-A308 PolarHBondContact O-N 3.22Å; E306-A308 PolarHBondContact O-N 3.46Å; A308-R320 HydrophobicContact CB-CB 3.92Å; A308-R320 WeakPolarHBondContact O-CD 3.48Å; A308-R320 PolarHBondContact O-NH1 2.83Å; A308-D321 VanDerWaalsContact CB-O 3.22Å; A308-D321 WeakPolarHBondContact CB-O 3.28Å; A308-V323 HydrophobicContact CB-CG2 4.04Å |
| 309 | L | 97.2 | Very high | 96 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -136.8 | 141.7 | -175.2 | -66.4 | 168.1 | 0 | 0 | 0 | 111.6 | T77 S78 P307 E313 W314 I318 R320 | T77-L309 PolarHBondContact O-N 3.41Å; S78-L309 VanDerWaalsContact CA-O 3.31Å; S78-L309 WeakPolarHBondContact CA-O 3.48Å; S78-L309 PolarHBondContact OG-O 3.18Å; P307-L309 VanDerWaalsContact C-N 3.27Å; P307-L309 PolarHBondContact O-N 3.17Å; L309-E313 HydrophobicContact CB-CB 4.49Å; L309-E313 HydrophobicContact CD2-CB 3.8Å; L309-W314 HydrophobicContact CB-CB 4.45Å; L309-W314 HydrophobicContact CD1-CB 4.18Å; L309-I318 WeakPolarHBondContact CD1-O 3.34Å; L309-I318 HydrophobicContact CD2-CB 4.17Å; L309-I318 HydrophobicContact CD2-CG2 3.65Å; L309-R320 HydrophobicContact CD1-CB 4.15Å; L309-R320 HydrophobicContact CD2-CB 4.22Å; L309-R320 HydrophobicContact CD2-CG 3.85Å; L309-R320 HydrophobicContact CG-CB 4.03Å; L309-R320 HydrophobicContact CG-CG 4.22Å |
| 310 | S | 96.1 | Very high | 96.1 | Very high | 36 Ų | 36 | 47.5 Ų | 47.5 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | trans | -68.9 | 166.9 | 157.6 | 60.7 | 0 | 0 | 0 | 0 | 111.4 | S78 S312 E313 W314 | S78-S310 PolarHBondContact OG-O 3.4Å; S310-S312 VanDerWaalsContact C-N 3.32Å; S310-S312 PolarHBondContact O-N 3.49Å; S310-S312 PolarHBondContact OG-OG 3.1Å; S310-E313 WeakPolarHBondContact CB-OE2 3.46Å; S310-E313 PolarHBondContact N-OE2 2.77Å; S310-E313 WeakPolarHBondContact OG-CB 3.47Å; S310-E313 VanDerWaalsContact OG-CG 3.23Å; S310-E313 WeakPolarHBondContact OG-CG 3.21Å; S310-E313 PolarHBondContact OG-N 2.97Å; S310-E313 PolarHBondContact OG-OE2 3.17Å; S310-W314 PolarHBondContact O-N 3.39Å | ||
| 311 | A | 95.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S78 I81 W314 L315 | S78-A311 PolarHBondContact OG-N 2.83Å; I81-A311 HydrophobicContact CD1-CB 3.79Å; I81-A311 HydrophobicContact CG1-CB 4.05Å; A311-W314 PolarHBondContact O-N 3.21Å; A311-L315 WeakPolarHBondContact O-CB 3.39Å; A311-L315 WeakPolarHBondContact O-CG 3.37Å; A311-L315 PolarHBondContact O-N 3.16Å |
| 312 | S | 96.1 | Very high | 96.2 | Very high | 72 Ų | 72 | 45.9 Ų | 45.9 | 50% | 0.503 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.8 | -40.9 | -178.7 | 59.2 | 0 | 0 | 0 | 0 | 112.9 | S310 L315 S316 | S310-S312 VanDerWaalsContact C-N 3.32Å; S310-S312 PolarHBondContact O-N 3.49Å; S310-S312 PolarHBondContact OG-OG 3.1Å; S312-L315 PolarHBondContact O-N 2.87Å; S312-S316 WeakPolarHBondContact O-CB 3.27Å; S312-S316 PolarHBondContact O-N 3.26Å |
| 313 | E | 97.6 | Very high | 96.3 | Very high | 54 Ų | 54 | 47.9 Ų | 47.9 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.8 | -49.1 | 174.4 | -77 | 170.4 | 117.4 | 0 | 0 | 111 | L309 S310 L315 S316 I318 R320 | L309-E313 HydrophobicContact CB-CB 4.49Å; L309-E313 HydrophobicContact CD2-CB 3.8Å; S310-E313 WeakPolarHBondContact CB-OE2 3.46Å; S310-E313 PolarHBondContact N-OE2 2.77Å; S310-E313 WeakPolarHBondContact OG-CB 3.47Å; S310-E313 VanDerWaalsContact OG-CG 3.23Å; S310-E313 WeakPolarHBondContact OG-CG 3.21Å; S310-E313 PolarHBondContact OG-N 2.97Å; S310-E313 PolarHBondContact OG-OE2 3.17Å; E313-L315 PolarHBondContact O-N 2.63Å; E313-S316 PolarHBondContact O-N 2.99Å; E313-S316 PolarHBondContact O-OG 2.71Å; E313-I318 HydrophobicContact CB-CD1 4.07Å; E313-I318 HydrophobicContact CG-CD1 4.18Å; E313-I318 WeakPolarHBondContact O-CB 3.3Å; E313-I318 PolarHBondContact O-N 2.97Å; E313-R320 IonicContact OE1-CZ 3.7Å; E313-R320 IonicContact OE1-NH1 3.84Å; E313-R320 PolarHBondContact OE1-NH1 2.63Å; E313-R320 VanDerWaalsContact OE1-NH1 3.1Å; E313-R320 IonicContact OE1-NH2 2.76Å; E313-R320 PolarHBondContact OE1-NH2 3.42Å |
| 314 | W | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 179.1 | 178.8 | 77.8 | 0 | 0 | 0 | 112.2 | H75 I81 F83 I93 P138 R139 L309 S310 A311 S316 G317 | H75-W314 AromaticContact CD2-CE2 3.85Å; H75-W314 AromaticContact CD2-CZ2 3.97Å; H75-W314 AromaticContact CD2-NE1 3.94Å; H75-W314 AromaticContact CE1-CD1 3.5Å; H75-W314 VanDerWaalsContact CE1-CD1 3.5Å; H75-W314 AromaticContact CE1-NE1 3.44Å; H75-W314 PolarHBondContact CE1-NE1 3.05Å; H75-W314 AromaticContact NE2-CD1 3.54Å; H75-W314 AromaticContact NE2-CE2 3.32Å; H75-W314 VanDerWaalsContact NE2-CE2 3.32Å; H75-W314 AromaticContact NE2-CZ2 3.77Å; H75-W314 AromaticContact NE2-NE1 2.97Å; H75-W314 PolarHBondContact NE2-NE1 3.37Å; I81-W314 HydrophobicContact CD1-CE3 3.89Å; I81-W314 HydrophobicContact CD1-CZ3 4.08Å; I81-W314 HydrophobicContact CG1-CD2 4.47Å; I81-W314 HydrophobicContact CG1-CE3 3.76Å; I81-W314 HydrophobicContact CG1-CZ3 4.2Å; I81-W314 HydrophobicContact CG2-CE3 4.17Å; I81-W314 HydrophobicContact CG2-CH2 4.26Å; I81-W314 HydrophobicContact CG2-CZ3 3.85Å; F83-W314 AromaticContact CE2-CH2 3.91Å; F83-W314 HydrophobicContact CE2-CH2 3.91Å; F83-W314 HydrophobicContact CE2-CZ2 4.37Å; F83-W314 AromaticContact CZ-CH2 3.76Å; F83-W314 HydrophobicContact CZ-CH2 3.76Å; F83-W314 HydrophobicContact CZ-CZ2 4.14Å; I93-W314 HydrophobicContact CD1-CH2 4.2Å; I93-W314 HydrophobicContact CG2-CH2 4.06Å; I93-W314 HydrophobicContact CG2-CZ3 3.94Å; P138-W314 HydrophobicContact CG-CH2 4.43Å; P138-W314 HydrophobicContact CG-CZ2 3.89Å; R139-W314 WeakPolarHBondContact CD-O 3.37Å; R139-W314 HydrophobicContact CG-CD2 4.44Å; R139-W314 HydrophobicContact CG-CE3 4.49Å; R139-W314 HydrophobicContact CG-CH2 3.75Å; R139-W314 HydrophobicContact CG-CZ2 3.68Å; R139-W314 HydrophobicContact CG-CZ3 4.17Å; R139-W314 PolarHBondContact NH1-O 2.64Å; L309-W314 HydrophobicContact CB-CB 4.45Å; L309-W314 HydrophobicContact CD1-CB 4.18Å; S310-W314 PolarHBondContact O-N 3.39Å; A311-W314 PolarHBondContact O-N 3.21Å; W314-S316 PolarHBondContact O-N 3.11Å; W314-G317 PolarHBondContact O-N 3.45Å |
| 315 | L | 96.8 | Very high | 96.4 | Very high | 65 Ų | 65 | 52 Ų | 52 | 34% | 0.34 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.5 | -28 | 176.8 | -72.4 | 169.7 | 0 | 0 | 0 | 113 | I81 V102 A311 S312 E313 G317 | I81-L315 HydrophobicContact CD1-CD1 4.22Å; I81-L315 HydrophobicContact CD1-CD2 4.46Å; I81-L315 HydrophobicContact CD1-CG 4.2Å; V102-L315 HydrophobicContact CB-CD2 4.37Å; V102-L315 HydrophobicContact CG1-CD1 4.39Å; V102-L315 HydrophobicContact CG2-CD1 4.35Å; V102-L315 HydrophobicContact CG2-CD2 3.78Å; A311-L315 WeakPolarHBondContact O-CB 3.39Å; A311-L315 WeakPolarHBondContact O-CG 3.37Å; A311-L315 PolarHBondContact O-N 3.16Å; S312-L315 PolarHBondContact O-N 2.87Å; E313-L315 PolarHBondContact O-N 2.63Å; L315-G317 PolarHBondContact O-N 3.48Å |
| 316 | S | 97.1 | Very high | 96.5 | Very high | 86 Ų | 86 | 52.8 Ų | 52.8 | 60% | 0.601 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -5.5 | 174.7 | 77.6 | 0 | 0 | 0 | 0 | 114 | S312 E313 W314 | S312-S316 WeakPolarHBondContact O-CB 3.27Å; S312-S316 PolarHBondContact O-N 3.26Å; E313-S316 PolarHBondContact O-N 2.99Å; E313-S316 PolarHBondContact O-OG 2.71Å; W314-S316 PolarHBondContact O-N 3.11Å |
| 317 | G | 96.6 | Very high | 96.6 | Very high | 41 Ų | 41 | 47.6 Ų | 47.6 | 42% | 0.423 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.6 | 13.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | R139 W314 L315 | R139-G317 PolarHBondContact NH1-O 2.73Å; W314-G317 PolarHBondContact O-N 3.45Å; L315-G317 PolarHBondContact O-N 3.48Å |
| 318 | I | 98.2 | Very high | 96.3 | Very high | 62 Ų | 62 | 51.5 Ų | 51.5 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | trans | -84.4 | 131.9 | 177.1 | -57.3 | 173.5 | 0 | 0 | 0 | 109.4 | R139 L309 E313 R320 | R139-I318 PolarHBondContact NH1-O 3.34Å; L309-I318 WeakPolarHBondContact CD1-O 3.34Å; L309-I318 HydrophobicContact CD2-CB 4.17Å; L309-I318 HydrophobicContact CD2-CG2 3.65Å; E313-I318 HydrophobicContact CB-CD1 4.07Å; E313-I318 HydrophobicContact CG-CD1 4.18Å; E313-I318 WeakPolarHBondContact O-CB 3.3Å; E313-I318 PolarHBondContact O-N 2.97Å; I318-R320 HydrophobicContact CG2-CG 4.3Å | ||
| 319 | D | 97.6 | Very high | 95.5 | Very high | 66 Ų | 66 | 56.9 Ų | 56.9 | 35% | 0.353 | 32% | 0.317 | S | S | . | . | trans | -112.1 | 137.8 | 171.1 | -62.6 | -38.4 | 0 | 0 | 0 | 109.5 | S122 R139 | S122-D319 WeakPolarHBondContact CB-OD1 3.06Å; R139-D319 IonicContact CZ-OD1 2.85Å; R139-D319 IonicContact CZ-OD2 2.81Å; R139-D319 IonicContact NH1-OD1 2.65Å; R139-D319 PolarHBondContact NH1-OD1 2.9Å; R139-D319 IonicContact NH1-OD2 2.97Å; R139-D319 IonicContact NH2-OD1 3.07Å; R139-D319 PolarHBondContact NH2-OD1 3.05Å; R139-D319 IonicContact NH2-OD2 3.75Å; R139-D319 PolarHBondContact NH2-OD2 3.02Å | ||
| 320 | R | 97.8 | Very high | 94.3 | Very high | 111 Ų | 111 | 58.5 Ų | 58.5 | 42% | 0.419 | 34% | 0.335 | S | S | . | . | trans | -145.4 | 140.8 | 174.3 | -72.8 | -176.6 | -170.6 | 147.2 | 8.9 | 108.9 | T77 A308 L309 E313 I318 | T77-R320 WeakPolarHBondContact CG2-O 3.43Å; A308-R320 HydrophobicContact CB-CB 3.92Å; A308-R320 WeakPolarHBondContact O-CD 3.48Å; A308-R320 PolarHBondContact O-NH1 2.83Å; L309-R320 HydrophobicContact CD1-CB 4.15Å; L309-R320 HydrophobicContact CD2-CB 4.22Å; L309-R320 HydrophobicContact CD2-CG 3.85Å; L309-R320 HydrophobicContact CG-CB 4.03Å; L309-R320 HydrophobicContact CG-CG 4.22Å; E313-R320 IonicContact OE1-CZ 3.7Å; E313-R320 IonicContact OE1-NH1 3.84Å; E313-R320 PolarHBondContact OE1-NH1 2.63Å; E313-R320 VanDerWaalsContact OE1-NH1 3.1Å; E313-R320 IonicContact OE1-NH2 2.76Å; E313-R320 PolarHBondContact OE1-NH2 3.42Å; I318-R320 HydrophobicContact CG2-CG 4.3Å | ||
| 321 | D | 97.5 | Very high | 93.2 | Very high | 96 Ų | 96 | 60.8 Ų | 60.8 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | trans | -63.3 | 156.3 | 169.1 | -73.9 | -33.7 | 0 | 0 | 0 | 111.2 | A308 | A308-D321 VanDerWaalsContact CB-O 3.22Å; A308-D321 WeakPolarHBondContact CB-O 3.28Å | ||
| 322 | P | 97.4 | Very high | 91.9 | Very high | 19 Ų | 19 | 67.6 Ų | 67.6 | 12% | 0.123 | 37% | 0.37 | C | S | . | . | trans | -55 | 145.4 | 174.4 | -21.6 | 30.3 | 0 | 0 | 0 | 112.4 | T77 T119 A303 L324 | T77-P322 HydrophobicContact CG2-CB 4.31Å; T77-P322 HydrophobicContact CG2-CG 3.77Å; T119-P322 HydrophobicContact CG2-CG 3.94Å; T119-P322 WeakPolarHBondContact O-CD 3.07Å; T119-P322 WeakPolarHBondContact O-CG 3.47Å; A303-P322 HydrophobicContact CB-CB 3.81Å; A303-P322 HydrophobicContact CB-CG 4.35Å; P322-L324 HydrophobicContact CB-CD2 4.49Å; P322-L324 PolarHBondContact O-N 2.81Å; P322-L324 VanDerWaalsContact O-N 3.16Å | ||
| 323 | V | 96.7 | Very high | 90.4 | Very high | 49 Ų | 49 | 70.3 Ų | 70.3 | 30% | 0.297 | 37% | 0.369 | S | S | . | . | trans | -68.9 | 114.3 | 170.6 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | G304 E306 A308 | G304-V323 PolarHBondContact N-O 3.25Å; E306-V323 HydrophobicContact CB-CB 4.09Å; E306-V323 HydrophobicContact CB-CG1 4.18Å; E306-V323 HydrophobicContact CB-CG2 4.29Å; E306-V323 HydrophobicContact CG-CG2 4.2Å; A308-V323 HydrophobicContact CB-CG2 4.04Å | ||
| 324 | L | 95.5 | Very high | 88.6 | Confident | 94 Ų | 94 | 70.5 Ų | 70.5 | 49% | 0.492 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 147.3 | -175.9 | -54 | -179.5 | 0 | 0 | 0 | 111.8 | M301 T302 P322 | M301-L324 HydrophobicContact CB-CB 3.95Å; M301-L324 HydrophobicContact CB-CD1 4.05Å; M301-L324 HydrophobicContact CE-CB 4.2Å; T302-L324 CarbonylContact O-C 3.53Å; T302-L324 VanDerWaalsContact O-CA 3.22Å; T302-L324 WeakPolarHBondContact O-CA 3.25Å; P322-L324 HydrophobicContact CB-CD2 4.49Å; P322-L324 PolarHBondContact O-N 2.81Å; P322-L324 VanDerWaalsContact O-N 3.16Å |
| 325 | M | 94.3 | Very high | 86.5 | Confident | 49 Ų | 49 | 78.4 Ų | 78.4 | 24% | 0.241 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 156.5 | 175.3 | 67.7 | 178.2 | -71.8 | 0 | 0 | 112.1 | L258 M301 T302 G304 | L258-M325 HydrophobicContact CD2-CE 4.16Å; L258-M325 HydrophobicContact CD2-SD 3.56Å; L258-M325 VanDerWaalsContact CD2-SD 3.56Å; L258-M325 HydrophobicContact CG-SD 4.22Å; M301-M325 WeakPolarHBondContact CA-O 3.4Å; M301-M325 VanDerWaalsContact CE-C 3.5Å; T302-M325 HydrophobicContact CG2-CG 4.39Å; T302-M325 PolarHBondContact N-O 2.88Å; T302-M325 PolarHBondContact O-N 3.42Å; G304-M325 VanDerWaalsContact CA-SD 3.55Å |
| 326 | S | 94.8 | Very high | 84.6 | Confident | 41 Ų | 41 | 82.6 Ų | 82.6 | 29% | 0.287 | 44% | 0.435 | S | S | . | . | trans | -86.4 | 144.4 | 172.4 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | K328 | S326-K328 VanDerWaalsContact C-N 3.3Å; S326-K328 WeakPolarHBondContact OG-CB 3.44Å; S326-K328 PolarHBondContact OG-N 2.97Å | ||
| 327 | L | 93.9 | Very high | 83 | Confident | 13 Ų | 13 | 83.2 Ų | 83.2 | 7% | 0.068 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -86.6 | -0.5 | 172.1 | -60.9 | 177.6 | 0 | 0 | 0 | 112.9 | K257 L258 V262 Y294 Y299 T302 G330 | K257-L327 HydrophobicContact CB-CD1 4.41Å; L258-L327 HydrophobicContact CG-CD2 4.38Å; V262-L327 HydrophobicContact CG2-CB 4Å; V262-L327 HydrophobicContact CG2-CD1 4.31Å; Y294-L327 HydrophobicContact CE2-CB 4.2Å; Y294-L327 PolarHBondContact OH-N 2.92Å; Y299-L327 HydrophobicContact CD1-CD1 3.95Å; T302-L327 HydrophobicContact CG2-CD1 4.33Å; T302-L327 HydrophobicContact CG2-CD2 3.87Å; T302-L327 HydrophobicContact CG2-CG 3.99Å; L327-G330 PolarHBondContact O-N 2.85Å |
| 328 | K | 90.5 | Very high | 82 | Confident | 110 Ų | 110 | 85 Ų | 85 | 48% | 0.478 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -42.8 | -173.1 | -172 | 172.3 | -171.6 | 166.8 | 0 | 114.1 | Y294 E296 S326 G330 | Y294-K328 HydrophobicContact CD1-CB 4.05Å; Y294-K328 HydrophobicContact CD1-CD 4.04Å; Y294-K328 HydrophobicContact CD1-CG 3.92Å; Y294-K328 HydrophobicContact CD2-CB 4.01Å; Y294-K328 HydrophobicContact CD2-CG 4.11Å; Y294-K328 HydrophobicContact CE1-CB 3.92Å; Y294-K328 HydrophobicContact CE1-CD 4.43Å; Y294-K328 HydrophobicContact CE1-CG 4.3Å; Y294-K328 HydrophobicContact CE2-CB 3.86Å; Y294-K328 HydrophobicContact CE2-CG 4.46Å; Y294-K328 HydrophobicContact CG-CB 4.09Å; Y294-K328 HydrophobicContact CG-CD 4.37Å; Y294-K328 HydrophobicContact CG-CG 3.81Å; E296-K328 IonicContact OE1-NZ 3.42Å; E296-K328 PolarHBondContact OE1-NZ 3.1Å; S326-K328 VanDerWaalsContact C-N 3.3Å; S326-K328 WeakPolarHBondContact OG-CB 3.44Å; S326-K328 PolarHBondContact OG-N 2.97Å; K328-G330 PolarHBondContact O-N 2.84Å |
| 329 | D | 80.5 | Confident | 81.1 | Confident | 125 Ų | 125 | 82.8 Ų | 82.8 | 67% | 0.668 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 6 | -177.1 | -58.9 | -39.9 | 0 | 0 | 0 | 112.3 | H332 | D329-H332 PolarHBondContact O-NE2 2.76Š|
| 330 | G | 71.1 | Confident | 80.3 | Confident | 39 Ų | 39 | 88 Ų | 88 | 40% | 0.402 | 44% | 0.442 | S | S | . | . | trans | 69.6 | 175.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L327 K328 H332 | L327-G330 PolarHBondContact O-N 2.85Å; K328-G330 PolarHBondContact O-N 2.84Å; G330-H332 PolarHBondContact O-N 2.91Å | ||
| 331 | Y | 73.6 | Confident | 79.3 | Confident | 84 Ų | 84 | 84.2 Ų | 84.2 | 33% | 0.329 | 44% | 0.435 | S | S | . | . | trans | -78.2 | 114.9 | 176 | -178.2 | -112.3 | 0 | 0 | 0 | 110.6 | L258 T305 R333 P334 | L258-Y331 HydrophobicContact CB-CD2 4.22Å; L258-Y331 HydrophobicContact CD2-CD2 3.57Å; L258-Y331 HydrophobicContact CD2-CE2 3.59Å; L258-Y331 HydrophobicContact CG-CD2 4.45Å; T305-Y331 HydrophobicContact CG2-CE2 4.41Å; Y331-R333 HydrophobicContact CE1-CB 4.1Å; Y331-P334 WeakPolarHBondContact OH-CD 3.29Å | ||
| 332 | H | 67.4 | Low | 78.5 | Confident | 143 Ų | 143 | 81.1 Ų | 81.1 | 66% | 0.662 | 42% | 0.42 | S | S | * | . | trans | -98.5 | 118.7 | 162.6 | -67.4 | -54 | 0 | 0 | 0 | 108.5 | D329 G330 P334 | D329-H332 PolarHBondContact O-NE2 2.76Å; G330-H332 PolarHBondContact O-N 2.91Å; H332-P334 WeakPolarHBondContact O-CD 3.35Å | ||
| 333 | R | 65.8 | Low | 76.9 | Confident | 129 Ų | 129 | 86.6 Ų | 86.6 | 49% | 0.487 | 45% | 0.452 | S | S | . | . | trans | -55.6 | 113.5 | 172.6 | -176 | -174.7 | -84.1 | 174.2 | -5.5 | 107.6 | E29 E48 Y331 | E29-R333 IonicContact OE1-CZ 3.02Å; E29-R333 IonicContact OE1-NE 3.73Å; E29-R333 PolarHBondContact OE1-NE 3Å; E29-R333 IonicContact OE1-NH2 3.75Å; E29-R333 PolarHBondContact OE1-NH2 2.9Å; E48-R333 IonicContact OE1-CZ 2.99Å; E48-R333 IonicContact OE1-NH1 3.23Å; E48-R333 PolarHBondContact OE1-NH1 3.14Å; E48-R333 IonicContact OE1-NH2 2.82Å; Y331-R333 HydrophobicContact CE1-CB 4.1Å | ||
| 334 | P | 58.7 | Low | 74.9 | Confident | 58 Ų | 58 | 91.5 Ų | 91.5 | 38% | 0.377 | 47% | 0.47 | S | S | . | . | trans | -64 | 153.7 | -179.8 | 20.4 | -23.5 | 0 | 0 | 0 | 109.8 | Y331 H332 Q336 | Y331-P334 WeakPolarHBondContact OH-CD 3.29Å; H332-P334 WeakPolarHBondContact O-CD 3.35Å; P334-Q336 PolarHBondContact O-N 3.43Å; P334-Q336 VanDerWaalsContact O-N 3.08Å | ||
| 335 | N | 54.3 | Low | 72.3 | Confident | 166 Ų | 166 | 93.7 Ų | 93.7 | 89% | 0.888 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -51.8 | 120.6 | 173.2 | -87.8 | -21 | 0 | 0 | 0 | 109 | L337 | N335-L337 PolarHBondContact O-N 3.34Š|
| 336 | Q | 58.3 | Low | 69.7 | Low | 153 Ų | 153 | 100.7 Ų | 100.7 | 72% | 0.715 | 51% | 0.507 | S | S | * | . | trans | -44.1 | 100.6 | -162.3 | -78.1 | 175.2 | -37.3 | 0 | 0 | 113.4 | P334 V338 | P334-Q336 PolarHBondContact O-N 3.43Å; P334-Q336 VanDerWaalsContact O-N 3.08Å; Q336-V338 HydrophobicContact CB-CG2 4.01Å; Q336-V338 PolarHBondContact O-N 2.79Å | ||
| 337 | L | 63.3 | Low | 66.8 | Low | 100 Ų | 100 | 105.6 Ų | 105.6 | 52% | 0.524 | 52% | 0.523 | S | S | . | . | trans | -62.7 | 115.8 | 147.4 | -71.4 | 170.5 | 0 | 0 | 0 | 105.5 | F28 N335 | F28-L337 HydrophobicContact CD1-CB 4.22Å; F28-L337 VanDerWaalsContact CD1-O 3.28Å; F28-L337 WeakPolarHBondContact CD1-O 3.36Å; F28-L337 HydrophobicContact CE1-CB 3.6Å; F28-L337 WeakPolarHBondContact CE1-O 3.1Å; F28-L337 HydrophobicContact CZ-CB 4.49Å; N335-L337 PolarHBondContact O-N 3.34Å | ||
| 338 | V | 74 | Confident | 63.9 | Low | 79 Ų | 79 | 109.3 Ų | 109.3 | 48% | 0.479 | 55% | 0.55 | S | S | . | . | trans | -96 | 127 | 177.7 | -179.9 | 0 | 0 | 0 | 0 | 107.7 | Q336 K340 | Q336-V338 HydrophobicContact CB-CG2 4.01Å; Q336-V338 PolarHBondContact O-N 2.79Å; V338-K340 PolarHBondContact O-N 2.82Å; V338-K340 VanDerWaalsContact O-N 3.14Å | ||
| 339 | F | 80.6 | Confident | 61.2 | Low | 15 Ų | 15 | 108.1 Ų | 108.1 | 7% | 0.066 | 55% | 0.551 | C | S | . | * | trans | -62.2 | 117.6 | 170.2 | 177.6 | -97.8 | 0 | 0 | 0 | 108.9 | F28 V31 I43 V59 L96 A341 | F28-F339 HydrophobicContact CD1-CB 4.29Å; F28-F339 HydrophobicContact CD2-CB 4.24Å; F28-F339 HydrophobicContact CD2-CD2 4.16Å; F28-F339 HydrophobicContact CE1-CB 4.33Å; F28-F339 HydrophobicContact CE2-CB 4.32Å; F28-F339 AromaticContact CE2-CD2 3.96Å; F28-F339 HydrophobicContact CE2-CD2 3.96Å; F28-F339 HydrophobicContact CG-CB 4.25Å; F28-F339 HydrophobicContact CZ-CB 4.37Å; V31-F339 HydrophobicContact CG2-CB 3.75Å; V31-F339 HydrophobicContact CG2-CG 4.09Å; I43-F339 HydrophobicContact CG2-CE1 4.08Å; I43-F339 HydrophobicContact CG2-CZ 4.01Å; V59-F339 HydrophobicContact CG2-CD1 4.14Å; V59-F339 HydrophobicContact CG2-CE1 3.79Å; L96-F339 HydrophobicContact CB-CE2 4.3Å; L96-F339 HydrophobicContact CB-CZ 4.46Å; L96-F339 HydrophobicContact CD1-CE2 4.22Å; F339-A341 HydrophobicContact CE1-CB 3.9Å | ||
| 340 | K | 79.5 | Confident | 59.1 | Low | 174 Ų | 174 | 107.2 Ų | 107.2 | 76% | 0.757 | 55% | 0.55 | S | S | * | . | trans | -100.4 | 100.4 | 176.7 | -68.3 | -177.3 | -176.6 | 176.5 | 0 | 108.4 | V338 | V338-K340 PolarHBondContact O-N 2.82Å; V338-K340 VanDerWaalsContact O-N 3.14Å | ||
| 341 | A | 78.7 | Confident | 57.4 | Low | 33 Ų | 33 | 110 Ų | 110 | 27% | 0.273 | 56% | 0.559 | S | S | . | * | trans | -60.7 | 148.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | V59 F339 V343 | V59-A341 HydrophobicContact CB-CB 4.34Å; V59-A341 WeakPolarHBondContact O-CB 3.14Å; F339-A341 HydrophobicContact CE1-CB 3.9Å; A341-V343 PolarHBondContact O-N 2.72Å | ||
| 342 | P | 79.7 | Confident | 55.5 | Low | 31 Ų | 31 | 113.3 Ų | 113.3 | 20% | 0.201 | 58% | 0.583 | C | S | . | * | trans | -54.7 | 129.9 | 172 | -14.3 | 24.4 | 0 | 0 | 0 | 108.9 | L60 L96 E97 K344 | L60-P342 HydrophobicContact CD1-CG 3.97Å; L60-P342 HydrophobicContact CD2-CG 4.28Å; L96-P342 VanDerWaalsContact O-CD 3.22Å; L96-P342 WeakPolarHBondContact O-CD 3.29Å; L96-P342 VanDerWaalsContact O-CG 3.24Å; L96-P342 WeakPolarHBondContact O-CG 3.41Å; E97-P342 WeakPolarHBondContact O-CB 3.15Å; E97-P342 WeakPolarHBondContact O-CG 3.27Å; P342-K344 PolarHBondContact O-N 3.01Å | ||
| 343 | V | 64.8 | Low | 54.2 | Low | 133 Ų | 133 | 109.8 Ų | 109.8 | 81% | 0.806 | 58% | 0.584 | S | S | * | * | trans | -66.7 | 103.5 | 170.3 | -177.9 | 0 | 0 | 0 | 0 | 106.1 | A341 E345 | A341-V343 PolarHBondContact O-N 2.72Å; V343-E345 PolarHBondContact O-N 2.95Å | ||
| 344 | K | 54 | Low | 53.2 | Low | 152 Ų | 152 | 108.9 Ų | 108.9 | 66% | 0.661 | 59% | 0.588 | S | S | * | * | trans | -61.7 | 95.6 | 160.4 | -77.1 | -174.7 | 178.9 | 179.3 | 0 | 105.5 | P342 K346 | P342-K344 PolarHBondContact O-N 3.01Å; K344-K346 VanDerWaalsContact C-N 3.26Å; K344-K346 PolarHBondContact O-N 3.17Å | ||
| 345 | E | 41.3 | Very low | 52.2 | Low | 140 Ų | 140 | 112.5 Ų | 112.5 | 65% | 0.654 | 60% | 0.604 | S | S | * | * | trans | -54.2 | 107 | 157.9 | -79.1 | -170.2 | 172.4 | 0 | 0 | 104.4 | V343 K347 | V343-E345 PolarHBondContact O-N 2.95Å; E345-K347 HydrophobicContact CB-CG 4.26Å; E345-K347 PolarHBondContact O-N 2.84Å; E345-K347 WeakPolarHBondContact OE2-CE 3.43Å; E345-K347 IonicContact OE2-NZ 3.87Å | ||
| 346 | K | 38.8 | Very low | 51.7 | Low | 197 Ų | 197 | 109.6 Ų | 109.6 | 86% | 0.857 | 59% | 0.589 | S | S | * | * | trans | -63.9 | 79.9 | 159.2 | -76.3 | -174.7 | 178.1 | -178.6 | 0 | 104.9 | K344 S348 | K344-K346 VanDerWaalsContact C-N 3.26Å; K344-K346 PolarHBondContact O-N 3.17Å; K346-S348 PolarHBondContact O-N 3.09Å | ||
| 347 | K | 34.2 | Very low | 50.9 | Low | 144 Ų | 144 | 108.8 Ų | 108.8 | 63% | 0.626 | 59% | 0.588 | S | S | * | * | trans | -66.8 | 82.1 | 159.2 | -79.2 | -171.8 | -178.5 | 174.6 | 0 | 104.9 | E345 V349 | E345-K347 HydrophobicContact CB-CG 4.26Å; E345-K347 PolarHBondContact O-N 2.84Å; E345-K347 WeakPolarHBondContact OE2-CE 3.43Å; E345-K347 IonicContact OE2-NZ 3.87Å; K347-V349 HydrophobicContact CB-CG2 4.36Å; K347-V349 PolarHBondContact O-N 3.07Å | ||
| 348 | S | 32 | Very low | 50 | Low | 91 Ų | 91 | 110.8 Ų | 110.8 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | trans | -66.2 | 77.8 | 163.5 | 61.3 | 0 | 0 | 0 | 0 | 106.4 | K346 V350 | K346-S348 PolarHBondContact O-N 3.09Å; S348-V350 PolarHBondContact O-N 2.71Å | ||
| 349 | V | 34.6 | Very low | 48.6 | Very low | 84 Ų | 84 | 113.8 Ų | 113.8 | 51% | 0.509 | 61% | 0.608 | S | S | . | * | trans | -77.8 | 72.8 | 161.2 | -175.1 | 0 | 0 | 0 | 0 | 105.1 | K347 V351 L356 | K347-V349 HydrophobicContact CB-CG2 4.36Å; K347-V349 PolarHBondContact O-N 3.07Å; V349-V351 VanDerWaalsContact C-N 3.34Å; V349-V351 HydrophobicContact CG1-CG2 3.94Å; V349-V351 PolarHBondContact O-N 2.76Å; V349-V351 VanDerWaalsContact O-N 3.07Å; V349-L356 HydrophobicContact CG1-CD1 4.48Å | ||
| 350 | V | 35.6 | Very low | 47.1 | Very low | 106 Ų | 106 | 115.6 Ų | 115.6 | 64% | 0.642 | 62% | 0.621 | S | S | * | * | trans | -73.3 | 98.3 | 167.8 | -177.1 | 0 | 0 | 0 | 0 | 105.7 | S348 | S348-V350 PolarHBondContact O-N 2.71Š| ||
| 351 | V | 37.2 | Very low | 45.7 | Very low | 97 Ų | 97 | 111.3 Ų | 111.3 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -112.2 | 108 | 158.8 | -177.9 | 0 | 0 | 0 | 0 | 106.1 | V349 G353 | V349-V351 VanDerWaalsContact C-N 3.34Å; V349-V351 HydrophobicContact CG1-CG2 3.94Å; V349-V351 PolarHBondContact O-N 2.76Å; V349-V351 VanDerWaalsContact O-N 3.07Å; V351-G353 PolarHBondContact O-N 2.99Å |
| 352 | N | 32.8 | Very low | 44.9 | Very low | 155 Ų | 155 | 111.9 Ų | 111.9 | 83% | 0.829 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.1 | 43.4 | 176.7 | -62.6 | -13.3 | 0 | 0 | 0 | 116.4 | I354 | N352-I354 PolarHBondContact O-N 2.92Š|
| 353 | G | 40.7 | Very low | 43.9 | Very low | 68 Ų | 68 | 119.1 Ų | 119.1 | 70% | 0.701 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.1 | 22.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | V351 | V351-G353 PolarHBondContact O-N 2.99Š|
| 354 | I | 44.5 | Very low | 44 | Very low | 110 Ų | 110 | 116.2 Ų | 116.2 | 56% | 0.564 | 62% | 0.617 | S | S | * | * | trans | -129.7 | 125.1 | 175.9 | -59.1 | 168.5 | 0 | 0 | 0 | 108.9 | N352 | N352-I354 PolarHBondContact O-N 2.92Š| ||
| 355 | D | 37.3 | Very low | 44.5 | Very low | 134 Ų | 134 | 116.7 Ų | 116.7 | 72% | 0.717 | 62% | 0.622 | S | S | * | * | trans | -71.5 | 127.3 | 179.5 | -153.4 | -7.5 | 0 | 0 | 0 | 110.1 | ||||
| 356 | L | 44.4 | Very low | 45.4 | Very low | 106 Ų | 106 | 115.6 Ų | 115.6 | 56% | 0.555 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -99.3 | 11 | -164.5 | -87.5 | 166.1 | 0 | 0 | 0 | 114.7 | V349 | V349-L356 HydrophobicContact CG1-CD1 4.48Š|
| 357 | L | 41.9 | Very low | 46.5 | Very low | 135 Ų | 135 | 110.1 Ų | 110.1 | 71% | 0.707 | 60% | 0.598 | S | S | * | * | trans | -139.3 | 45.3 | -173.5 | -88.2 | 161.8 | 0 | 0 | 0 | 114.3 | N359 | L357-N359 PolarHBondContact O-N 3.41Š| ||
| 358 | E | 42.7 | Very low | 48.2 | Very low | 142 Ų | 142 | 108 Ų | 108 | 66% | 0.664 | 59% | 0.593 | S | S | * | * | trans | -87.4 | 89.2 | 161.8 | -82.7 | -170.1 | 152 | 0 | 0 | 110.4 | V360 | E358-V360 HydrophobicContact CB-CB 4.28Å; E358-V360 HydrophobicContact CB-CG2 3.93Å; E358-V360 HydrophobicContact CG-CG2 3.89Å; E358-V360 PolarHBondContact O-N 3.33Å | ||
| 359 | N | 44.8 | Very low | 50 | Low | 143 Ų | 143 | 108 Ų | 108 | 77% | 0.765 | 59% | 0.586 | S | S | * | * | trans | -72.4 | 44.4 | 154.2 | -76.8 | -23.9 | 0 | 0 | 0 | 110.3 | L357 | L357-N359 PolarHBondContact O-N 3.41Š| ||
| 360 | V | 50.5 | Low | 51.5 | Low | 53 Ų | 53 | 112.9 Ų | 112.9 | 32% | 0.321 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -92.1 | 120.7 | 173.1 | -177.4 | 0 | 0 | 0 | 0 | 106.5 | E358 | E358-V360 HydrophobicContact CB-CB 4.28Å; E358-V360 HydrophobicContact CB-CG2 3.93Å; E358-V360 HydrophobicContact CG-CG2 3.89Å; E358-V360 PolarHBondContact O-N 3.33Å |
| 361 | P | 49.2 | Very low | 53 | Low | 84 Ų | 84 | 110.5 Ų | 110.5 | 55% | 0.545 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 133.8 | 174.8 | -20.9 | 30.6 | 0 | 0 | 0 | 109.9 | R363 | P361-R363 PolarHBondContact O-N 2.98Š|
| 362 | P | 62.7 | Low | 54.8 | Low | 45 Ų | 45 | 111.6 Ų | 111.6 | 29% | 0.292 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 129.8 | -179.1 | 20.4 | -27.2 | 0 | 0 | 0 | 110 | E367 L368 M371 | P362-E367 HydrophobicContact CB-CB 3.79Å; P362-L368 HydrophobicContact CB-CB 4.01Å; P362-L368 HydrophobicContact CB-CD1 4.45Å; P362-L368 HydrophobicContact CG-CB 3.99Å; P362-L368 HydrophobicContact CG-CD1 3.52Å; P362-L368 HydrophobicContact CG-CG 4.37Å; P362-M371 HydrophobicContact CB-SD 3.6Å; P362-M371 VanDerWaalsContact CD-SD 3.55Å; P362-M371 HydrophobicContact CG-SD 3.65Å |
| 363 | R | 58.7 | Low | 56.7 | Low | 183 Ų | 183 | 109.5 Ų | 109.5 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | trans | -94.9 | -13.5 | -172.8 | -61 | -177.9 | 179.7 | 176.4 | 0.5 | 112.9 | P361 E367 | P361-R363 PolarHBondContact O-N 2.98Å; R363-E367 WeakPolarHBondContact CA-OE2 3.39Å; R363-E367 WeakPolarHBondContact CB-OE2 3.18Å; R363-E367 PolarHBondContact N-OE2 2.85Å | ||
| 364 | T | 67.1 | Low | 58 | Low | 71 Ų | 71 | 113.2 Ų | 113.2 | 44% | 0.436 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -132.6 | 156.9 | 176.5 | 64.8 | 0 | 0 | 0 | 0 | 111.5 | N366 E367 L368 | T364-N366 PolarHBondContact O-N 2.79Å; T364-E367 PolarHBondContact N-OE2 3.4Å; T364-E367 WeakPolarHBondContact O-CB 3.45Å; T364-E367 PolarHBondContact O-N 2.81Å; T364-E367 VanDerWaalsContact OG1-CD 3.3Å; T364-E367 VanDerWaalsContact OG1-CG 3.28Å; T364-E367 WeakPolarHBondContact OG1-CG 3.11Å; T364-E367 PolarHBondContact OG1-N 3.06Å; T364-E367 PolarHBondContact OG1-OE1 2.85Å; T364-L368 PolarHBondContact O-N 3.04Å |
| 365 | E | 63.2 | Low | 59.4 | Low | 162 Ų | 162 | 113.7 Ų | 113.7 | 76% | 0.757 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -59.9 | -34.3 | 177.4 | -167.7 | 171.6 | -165.6 | 0 | 0 | 112 | L368 L369 | E365-L368 PolarHBondContact O-N 3.22Å; E365-L369 WeakPolarHBondContact O-CB 3.41Å; E365-L369 PolarHBondContact O-N 3.42Å |
| 366 | N | 60.8 | Low | 61.3 | Low | 117 Ų | 117 | 111.7 Ų | 111.7 | 63% | 0.626 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.1 | -36.5 | 173.2 | -83 | -31.5 | 0 | 0 | 0 | 113.1 | T364 R370 | T364-N366 PolarHBondContact O-N 2.79Å; N366-R370 VanDerWaalsContact O-CG 3.27Å; N366-R370 WeakPolarHBondContact O-CG 3.16Å; N366-R370 PolarHBondContact O-N 2.88Å; N366-R370 VanDerWaalsContact O-N 3.1Å |
| 367 | E | 61 | Low | 62.7 | Low | 82 Ų | 82 | 111 Ų | 111 | 38% | 0.383 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.6 | -40.7 | 174.1 | -76.6 | 163.3 | -153.8 | 0 | 0 | 111.4 | P362 R363 T364 L369 R370 M371 | P362-E367 HydrophobicContact CB-CB 3.79Å; R363-E367 WeakPolarHBondContact CA-OE2 3.39Å; R363-E367 WeakPolarHBondContact CB-OE2 3.18Å; R363-E367 PolarHBondContact N-OE2 2.85Å; T364-E367 PolarHBondContact N-OE2 3.4Å; T364-E367 WeakPolarHBondContact O-CB 3.45Å; T364-E367 PolarHBondContact O-N 2.81Å; T364-E367 VanDerWaalsContact OG1-CD 3.3Å; T364-E367 VanDerWaalsContact OG1-CG 3.28Å; T364-E367 WeakPolarHBondContact OG1-CG 3.11Å; T364-E367 PolarHBondContact OG1-N 3.06Å; T364-E367 PolarHBondContact OG1-OE1 2.85Å; E367-L369 VanDerWaalsContact C-N 3.34Å; E367-L369 PolarHBondContact O-N 3.18Å; E367-R370 PolarHBondContact O-N 3.04Å; E367-M371 WeakPolarHBondContact O-CB 3.22Å; E367-M371 WeakPolarHBondContact O-CG 3.13Å; E367-M371 PolarHBondContact O-N 3.1Å |
| 368 | L | 71.3 | Confident | 64.1 | Low | 100 Ų | 100 | 109.3 Ų | 109.3 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 175.3 | -178.3 | 69.3 | 0 | 0 | 0 | 110.8 | P362 T364 E365 R370 M371 F372 | P362-L368 HydrophobicContact CB-CB 4.01Å; P362-L368 HydrophobicContact CB-CD1 4.45Å; P362-L368 HydrophobicContact CG-CB 3.99Å; P362-L368 HydrophobicContact CG-CD1 3.52Å; P362-L368 HydrophobicContact CG-CG 4.37Å; T364-L368 PolarHBondContact O-N 3.04Å; E365-L368 PolarHBondContact O-N 3.22Å; L368-R370 PolarHBondContact O-N 2.73Å; L368-M371 PolarHBondContact O-N 3.22Å; L368-F372 WeakPolarHBondContact O-CB 3.06Å; L368-F372 PolarHBondContact O-N 3.02Å |
| 369 | L | 68.3 | Low | 65.8 | Low | 92 Ų | 92 | 107.5 Ų | 107.5 | 48% | 0.482 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 177.2 | -133.8 | 84.4 | 0 | 0 | 0 | 111.6 | E365 E367 F372 F373 | E365-L369 WeakPolarHBondContact O-CB 3.41Å; E365-L369 PolarHBondContact O-N 3.42Å; E367-L369 VanDerWaalsContact C-N 3.34Å; E367-L369 PolarHBondContact O-N 3.18Å; L369-F372 PolarHBondContact O-N 2.95Å; L369-F373 HydrophobicContact CD2-CE2 3.9Å; L369-F373 HydrophobicContact CG-CD2 4.44Å; L369-F373 HydrophobicContact CG-CE2 3.95Å; L369-F373 WeakPolarHBondContact O-CD2 3.45Å; L369-F373 PolarHBondContact O-N 2.93Å |
| 370 | R | 67.8 | Low | 67.6 | Low | 186 Ų | 186 | 107.2 Ų | 107.2 | 70% | 0.702 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.9 | -41.6 | 177.5 | -75 | 175.2 | -177.3 | -171.7 | 1.8 | 112.1 | N366 E367 L368 R374 | N366-R370 VanDerWaalsContact O-CG 3.27Å; N366-R370 WeakPolarHBondContact O-CG 3.16Å; N366-R370 PolarHBondContact O-N 2.88Å; N366-R370 VanDerWaalsContact O-N 3.1Å; E367-R370 PolarHBondContact O-N 3.04Å; L368-R370 PolarHBondContact O-N 2.73Å; R370-R374 VanDerWaalsContact O-CB 3.3Å; R370-R374 WeakPolarHBondContact O-CB 3.33Å; R370-R374 PolarHBondContact O-N 3.24Å |
| 371 | M | 66.8 | Low | 69.3 | Low | 55 Ų | 55 | 112.8 Ų | 112.8 | 27% | 0.271 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 175.6 | -73.3 | -176.9 | 80.3 | 0 | 0 | 111.6 | P362 E367 L368 R374 Q375 | P362-M371 HydrophobicContact CB-SD 3.6Å; P362-M371 VanDerWaalsContact CD-SD 3.55Å; P362-M371 HydrophobicContact CG-SD 3.65Å; E367-M371 WeakPolarHBondContact O-CB 3.22Å; E367-M371 WeakPolarHBondContact O-CG 3.13Å; E367-M371 PolarHBondContact O-N 3.1Å; L368-M371 PolarHBondContact O-N 3.22Å; M371-R374 PolarHBondContact O-N 3.43Å; M371-Q375 WeakPolarHBondContact O-CB 3.5Å; M371-Q375 WeakPolarHBondContact O-CG 3.49Å; M371-Q375 PolarHBondContact O-N 3.41Å |
| 372 | F | 74.4 | Confident | 70.7 | Confident | 121 Ų | 121 | 113.2 Ų | 113.2 | 53% | 0.531 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.7 | -50.6 | 176.4 | 176.8 | -95.6 | 0 | 0 | 0 | 111.8 | L368 L369 R374 Q375 Q376 | L368-F372 WeakPolarHBondContact O-CB 3.06Å; L368-F372 PolarHBondContact O-N 3.02Å; L369-F372 PolarHBondContact O-N 2.95Å; F372-R374 VanDerWaalsContact C-N 3.32Å; F372-R374 PolarHBondContact O-N 3.23Å; F372-Q375 PolarHBondContact O-N 3.13Å; F372-Q376 PolarHBondContact O-N 2.95Å |
| 373 | F | 73.4 | Confident | 71.8 | Confident | 111 Ų | 111 | 118 Ų | 118 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 177.3 | -73.7 | -61.2 | 0 | 0 | 0 | 112.2 | L369 Q376 D377 | L369-F373 HydrophobicContact CD2-CE2 3.9Å; L369-F373 HydrophobicContact CG-CD2 4.44Å; L369-F373 HydrophobicContact CG-CE2 3.95Å; L369-F373 WeakPolarHBondContact O-CD2 3.45Å; L369-F373 PolarHBondContact O-N 2.93Å; F373-Q376 WeakPolarHBondContact O-CB 3.41Å; F373-Q376 PolarHBondContact O-N 3.08Å; F373-D377 PolarHBondContact O-N 3.16Å |
| 374 | R | 67.8 | Low | 73.2 | Confident | 145 Ų | 145 | 114.6 Ų | 114.6 | 55% | 0.547 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 175.2 | -171.6 | -173.5 | -66.4 | 178.2 | -2.5 | 112 | R370 M371 F372 Q376 D377 E378 | R370-R374 VanDerWaalsContact O-CB 3.3Å; R370-R374 WeakPolarHBondContact O-CB 3.33Å; R370-R374 PolarHBondContact O-N 3.24Å; M371-R374 PolarHBondContact O-N 3.43Å; F372-R374 VanDerWaalsContact C-N 3.32Å; F372-R374 PolarHBondContact O-N 3.23Å; R374-Q376 VanDerWaalsContact C-N 3.27Å; R374-Q376 PolarHBondContact O-N 3.24Å; R374-D377 PolarHBondContact O-N 3.44Å; R374-E378 PolarHBondContact O-N 3.47Å |
| 375 | Q | 73.3 | Confident | 74.1 | Confident | 121 Ų | 121 | 115 Ų | 115 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.2 | -36.3 | 175.4 | -77.1 | -179.7 | -9.2 | 0 | 0 | 111.9 | M371 F372 E378 L379 | M371-Q375 WeakPolarHBondContact O-CB 3.5Å; M371-Q375 WeakPolarHBondContact O-CG 3.49Å; M371-Q375 PolarHBondContact O-N 3.41Å; F372-Q375 PolarHBondContact O-N 3.13Å; Q375-E378 PolarHBondContact O-N 2.95Å; Q375-L379 WeakPolarHBondContact O-CB 3.4Å; Q375-L379 WeakPolarHBondContact O-CG 3.32Å; Q375-L379 PolarHBondContact O-N 2.82Å |
| 376 | Q | 77.2 | Confident | 75.4 | Confident | 91 Ų | 91 | 112.3 Ų | 112.3 | 43% | 0.425 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67 | -38.9 | 178.3 | -163.8 | 178.7 | 9.5 | 0 | 0 | 112.5 | F372 F373 R374 R380 | F372-Q376 PolarHBondContact O-N 2.95Å; F373-Q376 WeakPolarHBondContact O-CB 3.41Å; F373-Q376 PolarHBondContact O-N 3.08Å; R374-Q376 VanDerWaalsContact C-N 3.27Å; R374-Q376 PolarHBondContact O-N 3.24Å; Q376-R380 PolarHBondContact O-N 2.87Å |
| 377 | D | 74.5 | Confident | 76.8 | Confident | 93 Ų | 93 | 110.6 Ų | 110.6 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.9 | -37.7 | 175.7 | -76.3 | -19.2 | 0 | 0 | 0 | 112.1 | F373 R374 R380 R381 | F373-D377 PolarHBondContact O-N 3.16Å; R374-D377 PolarHBondContact O-N 3.44Å; D377-R380 WeakPolarHBondContact O-CB 3.35Å; D377-R380 PolarHBondContact O-N 3.32Å; D377-R380 VanDerWaalsContact O-N 3.17Å; D377-R380 IonicContact OD1-CZ 3.59Å; D377-R380 IonicContact OD1-NH2 3.78Å; D377-R380 PolarHBondContact OD1-NH2 2.96Å; D377-R381 PolarHBondContact O-N 3.12Å |
| 378 | E | 71.4 | Confident | 78.1 | Confident | 98 Ų | 98 | 111.3 Ų | 111.3 | 46% | 0.458 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 175.8 | -170.3 | 146.5 | -159.8 | 0 | 0 | 112.2 | R374 Q375 R380 R381 L382 | R374-E378 PolarHBondContact O-N 3.47Å; Q375-E378 PolarHBondContact O-N 2.95Å; E378-R380 PolarHBondContact O-N 3.04Å; E378-R381 PolarHBondContact O-N 2.9Å; E378-L382 HydrophobicContact CG-CD1 4.22Å; E378-L382 WeakPolarHBondContact O-CB 3.4Å; E378-L382 WeakPolarHBondContact O-CG 3.36Å; E378-L382 PolarHBondContact O-N 3.49Å |
| 379 | L | 77.6 | Confident | 79 | Confident | 105 Ų | 105 | 112 Ų | 112 | 55% | 0.55 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.6 | -35.4 | 170.5 | -82 | 169.1 | 0 | 0 | 0 | 112.5 | Q375 K383 | Q375-L379 WeakPolarHBondContact O-CB 3.4Å; Q375-L379 WeakPolarHBondContact O-CG 3.32Å; Q375-L379 PolarHBondContact O-N 2.82Å; L379-K383 WeakPolarHBondContact O-CB 3.2Å; L379-K383 VanDerWaalsContact O-CG 3.24Å; L379-K383 WeakPolarHBondContact O-CG 3.37Å; L379-K383 PolarHBondContact O-N 2.85Å; L379-K383 VanDerWaalsContact O-N 3.14Å |
| 380 | R | 82.6 | Confident | 80.1 | Confident | 136 Ų | 136 | 111 Ų | 111 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.5 | -48.1 | 176 | -167.5 | -175.2 | -51.4 | 176.6 | 12.1 | 110.8 | Q376 D377 E378 L382 K383 E384 | Q376-R380 PolarHBondContact O-N 2.87Å; D377-R380 WeakPolarHBondContact O-CB 3.35Å; D377-R380 PolarHBondContact O-N 3.32Å; D377-R380 VanDerWaalsContact O-N 3.17Å; D377-R380 IonicContact OD1-CZ 3.59Å; D377-R380 IonicContact OD1-NH2 3.78Å; D377-R380 PolarHBondContact OD1-NH2 2.96Å; E378-R380 PolarHBondContact O-N 3.04Å; R380-L382 PolarHBondContact O-N 2.65Å; R380-K383 WeakPolarHBondContact O-CB 3.38Å; R380-K383 PolarHBondContact O-N 2.7Å; R380-E384 WeakPolarHBondContact O-CG 3.37Å; R380-E384 PolarHBondContact O-N 3.46Å |
| 381 | R | 85.5 | Confident | 81.2 | Confident | 170 Ų | 170 | 106.4 Ų | 106.4 | 64% | 0.642 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.6 | -44.7 | 177.4 | -176.2 | -176.8 | 172.4 | -171.8 | -2.1 | 112.2 | D377 E378 K383 E384 E385 | D377-R381 PolarHBondContact O-N 3.12Å; E378-R381 PolarHBondContact O-N 2.9Å; R381-K383 VanDerWaalsContact C-N 3.28Å; R381-K383 PolarHBondContact O-N 3.33Å; R381-E384 WeakPolarHBondContact O-CB 3.25Å; R381-E384 PolarHBondContact O-N 2.87Å; R381-E384 VanDerWaalsContact O-N 3.16Å; R381-E385 PolarHBondContact O-N 3.03Å |
| 382 | L | 79.1 | Confident | 82.3 | Confident | 94 Ų | 94 | 109.6 Ų | 109.6 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.5 | -35.2 | 178 | -74.2 | 171 | 0 | 0 | 0 | 111.9 | E378 R380 E385 L386 | E378-L382 HydrophobicContact CG-CD1 4.22Å; E378-L382 WeakPolarHBondContact O-CB 3.4Å; E378-L382 WeakPolarHBondContact O-CG 3.36Å; E378-L382 PolarHBondContact O-N 3.49Å; R380-L382 PolarHBondContact O-N 2.65Å; L382-E385 PolarHBondContact O-N 3.49Å; L382-L386 VanDerWaalsContact O-CB 3.24Å; L382-L386 WeakPolarHBondContact O-CB 3.43Å; L382-L386 PolarHBondContact O-N 2.91Å |
| 383 | K | 86.4 | Confident | 83.2 | Confident | 145 Ų | 145 | 107.9 Ų | 107.9 | 63% | 0.63 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.4 | -39.5 | 172.7 | -76.6 | 173.5 | 179.1 | -178.4 | 0 | 112.4 | L379 R380 R381 L386 T387 | L379-K383 WeakPolarHBondContact O-CB 3.2Å; L379-K383 VanDerWaalsContact O-CG 3.24Å; L379-K383 WeakPolarHBondContact O-CG 3.37Å; L379-K383 PolarHBondContact O-N 2.85Å; L379-K383 VanDerWaalsContact O-N 3.14Å; R380-K383 WeakPolarHBondContact O-CB 3.38Å; R380-K383 PolarHBondContact O-N 2.7Å; R381-K383 VanDerWaalsContact C-N 3.28Å; R381-K383 PolarHBondContact O-N 3.33Å; K383-L386 PolarHBondContact O-N 2.79Å; K383-T387 PolarHBondContact O-N 3.16Å; K383-T387 PolarHBondContact O-OG1 2.77Å |
| 384 | E | 87.4 | Confident | 84 | Confident | 112 Ų | 112 | 110.9 Ų | 110.9 | 52% | 0.523 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 175.1 | -71.7 | 169.6 | -171.6 | 0 | 0 | 111.8 | R380 R381 T387 T388 | R380-E384 WeakPolarHBondContact O-CG 3.37Å; R380-E384 PolarHBondContact O-N 3.46Å; R381-E384 WeakPolarHBondContact O-CB 3.25Å; R381-E384 PolarHBondContact O-N 2.87Å; R381-E384 VanDerWaalsContact O-N 3.16Å; E384-T387 VanDerWaalsContact CA-OG1 3.27Å; E384-T387 WeakPolarHBondContact CA-OG1 3.37Å; E384-T387 PolarHBondContact O-OG1 3.39Å; E384-T388 WeakPolarHBondContact O-CB 3.38Å; E384-T388 PolarHBondContact O-N 2.98Å; E384-T388 PolarHBondContact O-OG1 3.46Å |
| 385 | E | 87.3 | Confident | 85 | Confident | 80 Ų | 80 | 108.6 Ų | 108.6 | 37% | 0.374 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 175.7 | -164.7 | -176.7 | 152.1 | 0 | 0 | 111.5 | R381 L382 T388 K389 | R381-E385 PolarHBondContact O-N 3.03Å; L382-E385 PolarHBondContact O-N 3.49Å; E385-T388 PolarHBondContact O-N 2.87Å; E385-K389 WeakPolarHBondContact O-CG 3.18Å; E385-K389 PolarHBondContact O-N 3.34Å; E385-K389 WeakPolarHBondContact OE1-CE 3.35Å; E385-K389 IonicContact OE1-NZ 2.94Å; E385-K389 PolarHBondContact OE1-NZ 2.86Å |
| 386 | L | 88.8 | Confident | 85.7 | Confident | 104 Ų | 104 | 106.5 Ų | 106.5 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 176.2 | -173.5 | 68.7 | 0 | 0 | 0 | 111.1 | L382 K383 T388 K389 D390 | L382-L386 VanDerWaalsContact O-CB 3.24Å; L382-L386 WeakPolarHBondContact O-CB 3.43Å; L382-L386 PolarHBondContact O-N 2.91Å; K383-L386 PolarHBondContact O-N 2.79Å; L386-T388 VanDerWaalsContact C-N 3.31Å; L386-T388 PolarHBondContact O-N 2.94Å; L386-K389 PolarHBondContact O-N 2.79Å; L386-D390 PolarHBondContact O-N 2.61Å |
| 387 | T | 90.4 | Very high | 86.3 | Confident | 82 Ų | 82 | 107.3 Ų | 107.3 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 176.4 | 39.2 | 0 | 0 | 0 | 0 | 112.3 | K383 E384 D390 V391 | K383-T387 PolarHBondContact O-N 3.16Å; K383-T387 PolarHBondContact O-OG1 2.77Å; E384-T387 VanDerWaalsContact CA-OG1 3.27Å; E384-T387 WeakPolarHBondContact CA-OG1 3.37Å; E384-T387 PolarHBondContact O-OG1 3.39Å; T387-D390 PolarHBondContact O-N 2.71Å; T387-V391 WeakPolarHBondContact O-CG2 3.44Å; T387-V391 PolarHBondContact O-N 3.47Å |
| 388 | T | 89.1 | Confident | 87 | Confident | 97 Ų | 97 | 108.1 Ų | 108.1 | 60% | 0.595 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.4 | -42.2 | 174.9 | -54.5 | 0 | 0 | 0 | 0 | 111.5 | E384 E385 L386 V391 R392 | E384-T388 WeakPolarHBondContact O-CB 3.38Å; E384-T388 PolarHBondContact O-N 2.98Å; E384-T388 PolarHBondContact O-OG1 3.46Å; E385-T388 PolarHBondContact O-N 2.87Å; L386-T388 VanDerWaalsContact C-N 3.31Å; L386-T388 PolarHBondContact O-N 2.94Å; T388-V391 PolarHBondContact O-N 2.89Å; T388-R392 PolarHBondContact O-N 3.39Å |
| 389 | K | 89.2 | Confident | 87.6 | Confident | 113 Ų | 113 | 107.7 Ų | 107.7 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 175.7 | -74.8 | 178.1 | -177.2 | 167.2 | 0 | 111.9 | E385 L386 V391 R392 I393 | E385-K389 WeakPolarHBondContact O-CG 3.18Å; E385-K389 PolarHBondContact O-N 3.34Å; E385-K389 WeakPolarHBondContact OE1-CE 3.35Å; E385-K389 IonicContact OE1-NZ 2.94Å; E385-K389 PolarHBondContact OE1-NZ 2.86Å; L386-K389 PolarHBondContact O-N 2.79Å; K389-V391 VanDerWaalsContact C-N 3.33Å; K389-V391 PolarHBondContact O-N 3.04Å; K389-R392 WeakPolarHBondContact O-CB 3.49Å; K389-R392 PolarHBondContact O-N 3.28Å; K389-R392 VanDerWaalsContact O-N 3.13Å; K389-I393 VanDerWaalsContact O-CG1 3.3Å; K389-I393 WeakPolarHBondContact O-CG1 3.37Å; K389-I393 PolarHBondContact O-N 3.3Å |
| 390 | D | 92.1 | Very high | 88 | Confident | 71 Ų | 71 | 107 Ų | 107 | 38% | 0.38 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 175.9 | -73.5 | -23 | 0 | 0 | 0 | 111.9 | L386 T387 R392 I393 R394 | L386-D390 PolarHBondContact O-N 2.61Å; T387-D390 PolarHBondContact O-N 2.71Å; D390-R392 VanDerWaalsContact C-N 3.34Å; D390-I393 PolarHBondContact O-N 3.32Å; D390-R394 WeakPolarHBondContact O-CG 3.4Å; D390-R394 PolarHBondContact O-N 2.76Å |
| 391 | V | 92.1 | Very high | 88.1 | Confident | 91 Ų | 91 | 104.7 Ų | 104.7 | 55% | 0.552 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.6 | -44.3 | 173.5 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | T387 T388 K389 I393 R394 Q395 | T387-V391 WeakPolarHBondContact O-CG2 3.44Å; T387-V391 PolarHBondContact O-N 3.47Å; T388-V391 PolarHBondContact O-N 2.89Å; K389-V391 VanDerWaalsContact C-N 3.33Å; K389-V391 PolarHBondContact O-N 3.04Å; V391-I393 PolarHBondContact O-N 2.82Å; V391-R394 PolarHBondContact O-N 3.02Å; V391-Q395 PolarHBondContact O-N 2.8Å |
| 392 | R | 89.4 | Confident | 87.9 | Confident | 122 Ų | 122 | 101.5 Ų | 101.5 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 178.8 | -175.5 | 57.9 | 177.6 | 157.2 | 5 | 112.2 | T388 K389 D390 Q395 L396 | T388-R392 PolarHBondContact O-N 3.39Å; K389-R392 WeakPolarHBondContact O-CB 3.49Å; K389-R392 PolarHBondContact O-N 3.28Å; K389-R392 VanDerWaalsContact O-N 3.13Å; D390-R392 VanDerWaalsContact C-N 3.34Å; R392-Q395 PolarHBondContact O-N 2.84Å; R392-L396 HydrophobicContact CG-CD1 4.16Å; R392-L396 WeakPolarHBondContact O-CG 3.47Å; R392-L396 PolarHBondContact O-N 3.06Å |
| 393 | I | 92.9 | Very high | 87.8 | Confident | 84 Ų | 84 | 103.2 Ų | 103.2 | 43% | 0.431 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.6 | -49.7 | 176.3 | -71.5 | 165.7 | 0 | 0 | 0 | 109.9 | K389 D390 V391 Q395 L396 E397 | K389-I393 VanDerWaalsContact O-CG1 3.3Å; K389-I393 WeakPolarHBondContact O-CG1 3.37Å; K389-I393 PolarHBondContact O-N 3.3Å; D390-I393 PolarHBondContact O-N 3.32Å; V391-I393 PolarHBondContact O-N 2.82Å; I393-Q395 VanDerWaalsContact C-N 3.26Å; I393-Q395 PolarHBondContact O-N 2.92Å; I393-L396 PolarHBondContact O-N 3.2Å; I393-L396 VanDerWaalsContact O-N 3.15Å; I393-E397 HydrophobicContact CG2-CG 4.38Å; I393-E397 WeakPolarHBondContact O-CG 3.43Å; I393-E397 PolarHBondContact O-N 3.15Å |
| 394 | R | 89.9 | Confident | 87.2 | Confident | 175 Ų | 175 | 103.4 Ų | 103.4 | 66% | 0.66 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.8 | -37.7 | 177.3 | -72.6 | 179.5 | -174.5 | -177.7 | 3.4 | 112.8 | D390 V391 E397 L398 | D390-R394 WeakPolarHBondContact O-CG 3.4Å; D390-R394 PolarHBondContact O-N 2.76Å; V391-R394 PolarHBondContact O-N 3.02Å; R394-E397 PolarHBondContact O-N 2.98Å; R394-L398 WeakPolarHBondContact O-CG 3.11Å; R394-L398 PolarHBondContact O-N 3.14Å; R394-L398 VanDerWaalsContact O-N 3.09Å |
| 395 | Q | 88.6 | Confident | 86.1 | Confident | 96 Ų | 96 | 104.4 Ų | 104.4 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.5 | -41.6 | 178.1 | -167.1 | 165 | 10.6 | 0 | 0 | 112 | V391 R392 I393 L398 E399 | V391-Q395 PolarHBondContact O-N 2.8Å; R392-Q395 PolarHBondContact O-N 2.84Å; I393-Q395 VanDerWaalsContact C-N 3.26Å; I393-Q395 PolarHBondContact O-N 2.92Å; Q395-L398 PolarHBondContact O-N 3.42Å; Q395-E399 WeakPolarHBondContact O-CG 3.19Å; Q395-E399 PolarHBondContact O-N 3.32Å |
| 396 | L | 88.6 | Confident | 84.8 | Confident | 77 Ų | 77 | 106 Ų | 106 | 40% | 0.403 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 174.5 | -71.2 | 169.4 | 0 | 0 | 0 | 112.1 | R392 I393 L398 E399 L400 | R392-L396 HydrophobicContact CG-CD1 4.16Å; R392-L396 WeakPolarHBondContact O-CG 3.47Å; R392-L396 PolarHBondContact O-N 3.06Å; I393-L396 PolarHBondContact O-N 3.2Å; I393-L396 VanDerWaalsContact O-N 3.15Å; L396-L398 VanDerWaalsContact C-N 3.35Å; L396-E399 PolarHBondContact O-N 2.84Å; L396-L400 WeakPolarHBondContact O-CB 3.48Å; L396-L400 PolarHBondContact O-N 2.89Å |
| 397 | E | 89.6 | Confident | 83 | Confident | 109 Ų | 109 | 104.9 Ų | 104.9 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 174.4 | -73.2 | 174.1 | 161.9 | 0 | 0 | 112.2 | I393 R394 L400 N401 | I393-E397 HydrophobicContact CG2-CG 4.38Å; I393-E397 WeakPolarHBondContact O-CG 3.43Å; I393-E397 PolarHBondContact O-N 3.15Å; R394-E397 PolarHBondContact O-N 2.98Å; E397-L400 PolarHBondContact O-N 3Å; E397-N401 WeakPolarHBondContact O-CB 3.24Å; E397-N401 PolarHBondContact O-N 2.88Å |
| 398 | L | 88 | Confident | 81.4 | Confident | 110 Ų | 110 | 107 Ų | 107 | 58% | 0.576 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.2 | -44.9 | 173.7 | -79.6 | 162.2 | 0 | 0 | 0 | 112 | R394 Q395 L396 L400 N401 N402 | R394-L398 WeakPolarHBondContact O-CG 3.11Å; R394-L398 PolarHBondContact O-N 3.14Å; R394-L398 VanDerWaalsContact O-N 3.09Å; Q395-L398 PolarHBondContact O-N 3.42Å; L396-L398 VanDerWaalsContact C-N 3.35Å; L398-L400 VanDerWaalsContact C-N 3.32Å; L398-L400 PolarHBondContact O-N 3.38Å; L398-N401 PolarHBondContact O-N 2.88Å; L398-N402 VanDerWaalsContact O-CG 3.31Å; L398-N402 PolarHBondContact O-N 3.45Å; L398-N402 PolarHBondContact O-ND2 2.87Å |
| 399 | E | 85.9 | Confident | 79.6 | Confident | 88 Ų | 88 | 110.8 Ų | 110.8 | 41% | 0.411 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.1 | -42.7 | 174.9 | -74.2 | 172.6 | -167.2 | 0 | 0 | 111.4 | Q395 L396 N402 L403 | Q395-E399 WeakPolarHBondContact O-CG 3.19Å; Q395-E399 PolarHBondContact O-N 3.32Å; L396-E399 PolarHBondContact O-N 2.84Å; E399-N402 PolarHBondContact O-N 2.9Å; E399-L403 WeakPolarHBondContact O-CG 3.25Å; E399-L403 PolarHBondContact O-N 2.76Å |
| 400 | L | 85.8 | Confident | 77.8 | Confident | 92 Ų | 92 | 113.1 Ų | 113.1 | 48% | 0.482 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.1 | -41.1 | 177 | -162.9 | 89.7 | 0 | 0 | 0 | 112.2 | L396 E397 L398 L403 K404 | L396-L400 WeakPolarHBondContact O-CB 3.48Å; L396-L400 PolarHBondContact O-N 2.89Å; E397-L400 PolarHBondContact O-N 3Å; L398-L400 VanDerWaalsContact C-N 3.32Å; L398-L400 PolarHBondContact O-N 3.38Å; L400-L403 PolarHBondContact O-N 3.2Å; L400-K404 WeakPolarHBondContact O-CG 3.08Å; L400-K404 PolarHBondContact O-N 2.97Å |
| 401 | N | 84.1 | Confident | 75.6 | Confident | 87 Ų | 87 | 120.3 Ų | 120.3 | 47% | 0.465 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68.1 | -37.3 | 176.7 | -84.2 | -15.2 | 0 | 0 | 0 | 112.3 | E397 L398 K404 N405 | E397-N401 WeakPolarHBondContact O-CB 3.24Å; E397-N401 PolarHBondContact O-N 2.88Å; L398-N401 PolarHBondContact O-N 2.88Å; N401-K404 PolarHBondContact O-N 2.89Å; N401-N405 PolarHBondContact O-N 2.71Å; N401-N405 PolarHBondContact O-ND2 2.69Å |
| 402 | N | 80.3 | Confident | 74.7 | Confident | 103 Ų | 103 | 121.8 Ų | 121.8 | 55% | 0.551 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64 | -41.6 | 173.9 | -72.8 | -19.9 | 0 | 0 | 0 | 111.4 | L398 E399 K404 N405 V406 | L398-N402 VanDerWaalsContact O-CG 3.31Å; L398-N402 PolarHBondContact O-N 3.45Å; L398-N402 PolarHBondContact O-ND2 2.87Å; E399-N402 PolarHBondContact O-N 2.9Å; N402-K404 VanDerWaalsContact C-N 3.35Å; N402-K404 PolarHBondContact O-N 2.83Å; N402-N405 PolarHBondContact O-N 2.55Å; N402-V406 PolarHBondContact O-N 2.86Å |
| 403 | L | 77 | Confident | 74 | Confident | 130 Ų | 130 | 121.8 Ų | 121.8 | 68% | 0.681 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.6 | -36.2 | 174.6 | -73.3 | 165 | 0 | 0 | 0 | 112.6 | E399 L400 N405 V406 | E399-L403 WeakPolarHBondContact O-CG 3.25Å; E399-L403 PolarHBondContact O-N 2.76Å; L400-L403 PolarHBondContact O-N 3.2Å; L403-N405 VanDerWaalsContact C-N 3.33Å; L403-V406 PolarHBondContact O-N 2.68Å |
| 404 | K | 74 | Confident | 72.9 | Confident | 148 Ų | 148 | 123.9 Ų | 123.9 | 64% | 0.643 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70 | -27.1 | 174.8 | -75.2 | 176.1 | -179.8 | 178.1 | 0 | 113.5 | L400 N401 N402 V406 | L400-K404 WeakPolarHBondContact O-CG 3.08Å; L400-K404 PolarHBondContact O-N 2.97Å; N401-K404 PolarHBondContact O-N 2.89Å; N402-K404 VanDerWaalsContact C-N 3.35Å; N402-K404 PolarHBondContact O-N 2.83Å; K404-V406 VanDerWaalsContact C-N 3.33Å |
| 405 | N | 64.5 | Low | 71.9 | Confident | 134 Ų | 134 | 120.9 Ų | 120.9 | 72% | 0.717 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -83.9 | -7.5 | 177.8 | -72.9 | -21.6 | 0 | 0 | 0 | 113.4 | N401 N402 L403 S407 | N401-N405 PolarHBondContact O-N 2.71Å; N401-N405 PolarHBondContact O-ND2 2.69Å; N402-N405 PolarHBondContact O-N 2.55Å; L403-N405 VanDerWaalsContact C-N 3.33Å; N405-S407 PolarHBondContact O-N 2.84Å |
| 406 | V | 61 | Low | 70.9 | Confident | 112 Ų | 112 | 122.4 Ų | 122.4 | 68% | 0.679 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -85.8 | 91.7 | 167.3 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | N402 L403 K404 | N402-V406 PolarHBondContact O-N 2.86Å; L403-V406 PolarHBondContact O-N 2.68Å; K404-V406 VanDerWaalsContact C-N 3.33Å |
| 407 | S | 50.6 | Low | 69.7 | Low | 81 Ų | 81 | 125.5 Ų | 125.5 | 57% | 0.566 | 67% | 0.673 | S | S | * | * | trans | -60.8 | 143.2 | 169.1 | 156.6 | 0 | 0 | 0 | 0 | 110.7 | N405 K409 | N405-S407 PolarHBondContact O-N 2.84Å; S407-K409 PolarHBondContact O-N 2.75Å | ||
| 408 | P | 56.4 | Low | 68.3 | Low | 128 Ų | 128 | 126.6 Ų | 126.6 | 83% | 0.831 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -70.9 | 90 | 175.3 | 30.2 | -32 | 0 | 0 | 0 | 109.3 | ||
| 409 | K | 51.3 | Low | 66.8 | Low | 176 Ų | 176 | 127.9 Ų | 127.9 | 77% | 0.765 | 69% | 0.693 | S | S | * | * | trans | -132.7 | -3.9 | 166.7 | -98.4 | -163.8 | 176.8 | -175.4 | 0 | 116.5 | S407 | S407-K409 PolarHBondContact O-N 2.75Š| ||
| 410 | D | 51.7 | Low | 65.2 | Low | 162 Ų | 162 | 131.3 Ų | 131.3 | 87% | 0.866 | 72% | 0.716 | S | S | * | * | trans | -143.2 | 76.9 | 174.4 | -65.3 | -59.6 | 0 | 0 | 0 | 111.1 | ||||
| 411 | V | 45.3 | Very low | 63.3 | Low | 222 Ų | 222 | 134.8 Ų | 134.8 | 100% | 1.345 | 74% | 0.737 | S | S | * | * | trans | -152.3 | 0 | 134.2 | -178.5 | 0 | 0 | 0 | 0 | 107.9 |
Retrieved 411 of 411 residues in 1495.7 ms
(Link to these results)