| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.5 | Very low | 67 | Low | 246 Ų | 246 | 120.5 Ų | 120.5 | 100% | 1.212 | 63% | 0.626 | S | S | * | * | 0 | 93.2 | 0 | -64.6 | -171.4 | -147.4 | 0 | 0 | 108.1 | R3 | M1-R3 PolarHBondContact O-N 2.96Š| |||
| 2 | S | 42.5 | Very low | 69.3 | Low | 117 Ų | 117 | 119.8 Ų | 119.8 | 82% | 0.818 | 61% | 0.609 | S | S | * | * | trans | -65.6 | 116.9 | 173.2 | 51 | 0 | 0 | 0 | 0 | 107.7 | Q4 | S2-Q4 PolarHBondContact O-N 3.37Š| ||
| 3 | R | 44.4 | Very low | 71.3 | Confident | 234 Ų | 234 | 120.6 Ų | 120.6 | 88% | 0.883 | 61% | 0.609 | S | S | * | * | trans | -57 | 106.1 | 167.4 | -78.4 | 178.3 | 172.7 | 172.9 | -2.5 | 106.5 | M1 V5 | M1-R3 PolarHBondContact O-N 2.96Å; R3-V5 VanDerWaalsContact C-N 3.34Å; R3-V5 PolarHBondContact O-N 3.42Å | ||
| 4 | Q | 50.7 | Low | 73.2 | Confident | 182 Ų | 182 | 112.4 Ų | 112.4 | 85% | 0.85 | 57% | 0.567 | S | S | * | * | trans | -63.4 | 102.5 | 172.8 | -152 | 174.5 | 6.8 | 0 | 0 | 105.2 | S2 V6 | S2-Q4 PolarHBondContact O-N 3.37Å; Q4-V6 PolarHBondContact O-N 3.4Å | ||
| 5 | V | 56.9 | Low | 74.9 | Confident | 131 Ų | 131 | 110.9 Ų | 110.9 | 79% | 0.794 | 56% | 0.556 | S | S | * | * | trans | -62.5 | 106.8 | 178 | 177.7 | 0 | 0 | 0 | 0 | 105.3 | R3 R7 | R3-V5 VanDerWaalsContact C-N 3.34Å; R3-V5 PolarHBondContact O-N 3.42Å; V5-R7 PolarHBondContact O-N 3.07Å; V5-R7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | V | 62.8 | Low | 76.3 | Confident | 119 Ų | 119 | 104.9 Ų | 104.9 | 72% | 0.721 | 53% | 0.531 | S | S | * | . | trans | -58.8 | 118.6 | 175.5 | 177.1 | 0 | 0 | 0 | 0 | 106.5 | Q4 S8 | Q4-V6 PolarHBondContact O-N 3.4Å; V6-S8 PolarHBondContact O-N 3.25Å | ||
| 7 | R | 78.6 | Confident | 77.6 | Confident | 64 Ų | 64 | 105.2 Ų | 105.2 | 24% | 0.242 | 53% | 0.53 | C | S | . | . | trans | -51.7 | 124.9 | 177.5 | 179.3 | -172.7 | 159.1 | -113.5 | -23.6 | 108.8 | V5 S9 E296 H305 | V5-R7 PolarHBondContact O-N 3.07Å; V5-R7 VanDerWaalsContact O-N 3.11Å; R7-S9 PolarHBondContact O-N 3.41Å; R7-E296 IonicContact CZ-OE2 2.69Å; R7-E296 VanDerWaalsContact CZ-OE2 3.23Å; R7-E296 IonicContact NH1-OE2 3.46Å; R7-E296 PolarHBondContact NH1-OE2 2.97Å; R7-E296 IonicContact NH2-OE1 3.54Å; R7-E296 PolarHBondContact NH2-OE1 3.16Å; R7-E296 IonicContact NH2-OE2 3.63Å; R7-E296 PolarHBondContact NH2-OE2 3.25Å; R7-H305 VanDerWaalsContact NH1-CB 3.34Å | ||
| 8 | S | 82.5 | Confident | 78.7 | Confident | 121 Ų | 121 | 101.3 Ų | 101.3 | 85% | 0.846 | 51% | 0.513 | S | S | * | . | trans | -79.1 | 104.2 | 176.4 | -165.2 | 0 | 0 | 0 | 0 | 108.8 | V6 | V6-S8 PolarHBondContact O-N 3.25Š| ||
| 9 | S | 91.1 | Very high | 79.7 | Confident | 13 Ų | 13 | 97.4 Ų | 97.4 | 9% | 0.091 | 50% | 0.498 | C | S | . | . | trans | -109.6 | 130.3 | 170.1 | 170.6 | 0 | 0 | 0 | 0 | 108.9 | R7 F11 R12 E296 | R7-S9 PolarHBondContact O-N 3.41Å; S9-F11 PolarHBondContact O-N 3.32Å; S9-F11 VanDerWaalsContact O-N 3.13Å; S9-F11 PolarHBondContact OG-N 3.37Å; S9-R12 VanDerWaalsContact O-CB 3.27Å; S9-R12 WeakPolarHBondContact O-CB 3.44Å; S9-R12 PolarHBondContact O-N 2.83Å; S9-R12 VanDerWaalsContact O-N 3.1Å; S9-E296 VanDerWaalsContact CB-OE2 3.23Å; S9-E296 WeakPolarHBondContact CB-OE2 3.46Å; S9-E296 PolarHBondContact OG-OE2 2.96Å | ||
| 10 | K | 94.1 | Very high | 80.6 | Confident | 94 Ų | 94 | 100 Ų | 100 | 41% | 0.409 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.9 | 171.8 | 64.7 | 179.6 | 176 | -179.3 | 0 | 112.6 | D362 L363 | K10-D362 PolarHBondContact NZ-O 3.1Å; K10-L363 HydrophobicContact CD-CD2 4.29Å |
| 11 | F | 96.4 | Very high | 81.2 | Confident | 4 Ų | 4 | 98.2 Ų | 98.2 | 2% | 0.018 | 51% | 0.506 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 1.4 | 179.4 | -54.7 | -64.5 | 0 | 0 | 0 | 113.5 | S9 H13 V14 T279 I281 E296 L307 I334 V352 L363 | S9-F11 PolarHBondContact O-N 3.32Å; S9-F11 VanDerWaalsContact O-N 3.13Å; S9-F11 PolarHBondContact OG-N 3.37Å; F11-H13 PolarHBondContact O-N 3.37Å; F11-H13 VanDerWaalsContact O-N 3.08Å; F11-V14 HydrophobicContact CB-CG2 3.96Å; F11-V14 HydrophobicContact CD1-CG2 4.22Å; F11-V14 WeakPolarHBondContact O-CB 3.31Å; F11-V14 VanDerWaalsContact O-CG2 3.29Å; F11-V14 WeakPolarHBondContact O-CG2 3.16Å; F11-V14 PolarHBondContact O-N 3.46Å; F11-T279 HydrophobicContact CE1-CG2 3.88Å; F11-T279 WeakPolarHBondContact CE2-O 3.2Å; F11-T279 HydrophobicContact CZ-CG2 3.7Å; F11-I281 HydrophobicContact CB-CD1 3.9Å; F11-I281 HydrophobicContact CD1-CD1 3.82Å; F11-I281 HydrophobicContact CD2-CD1 4.11Å; F11-I281 HydrophobicContact CD2-CG1 4.37Å; F11-I281 HydrophobicContact CE1-CD1 4.29Å; F11-I281 HydrophobicContact CG-CD1 3.7Å; F11-I281 HydrophobicContact CG-CG1 4.42Å; F11-E296 HydrophobicContact CD2-CG 4.41Å; F11-L307 HydrophobicContact CB-CD1 3.83Å; F11-L307 HydrophobicContact CB-CD2 4.38Å; F11-I334 HydrophobicContact CD1-CD1 4.25Å; F11-I334 HydrophobicContact CE1-CD1 4.48Å; F11-V352 HydrophobicContact CD1-CG2 3.96Å; F11-V352 HydrophobicContact CE1-CG2 4.31Å; F11-L363 HydrophobicContact CE1-CD2 3.85Å |
| 12 | R | 93.8 | Very high | 83.9 | Confident | 112 Ų | 112 | 91.6 Ų | 91.6 | 42% | 0.423 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -32.7 | -178.1 | 177.6 | 58.1 | -173.6 | 88.8 | -5.4 | 113.5 | S9 | S9-R12 VanDerWaalsContact O-CB 3.27Å; S9-R12 WeakPolarHBondContact O-CB 3.44Å; S9-R12 PolarHBondContact O-N 2.83Å; S9-R12 VanDerWaalsContact O-N 3.1Å |
| 13 | H | 95.6 | Very high | 86.5 | Confident | 131 Ų | 131 | 90.8 Ų | 90.8 | 61% | 0.606 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | 16.5 | -175.9 | -58.9 | -65.2 | 0 | 0 | 0 | 113.2 | F11 F15 P353 | F11-H13 PolarHBondContact O-N 3.37Å; F11-H13 VanDerWaalsContact O-N 3.08Å; H13-F15 PolarHBondContact O-N 2.92Å; H13-P353 HydrophobicContact CB-CG 3.74Å; H13-P353 WeakPolarHBondContact O-CD 3.35Å; H13-P353 WeakPolarHBondContact O-CG 3.46Å |
| 14 | V | 98 | Very high | 89.1 | Confident | 5 Ų | 5 | 79.9 Ų | 79.9 | 3% | 0.03 | 42% | 0.418 | C | S | . | . | trans | -55.3 | 135.8 | 168.3 | 170.6 | 0 | 0 | 0 | 0 | 108.9 | F11 Y294 I334 M350 T351 V352 | F11-V14 HydrophobicContact CB-CG2 3.96Å; F11-V14 HydrophobicContact CD1-CG2 4.22Å; F11-V14 WeakPolarHBondContact O-CB 3.31Å; F11-V14 VanDerWaalsContact O-CG2 3.29Å; F11-V14 WeakPolarHBondContact O-CG2 3.16Å; F11-V14 PolarHBondContact O-N 3.46Å; V14-Y294 HydrophobicContact CB-CE2 4.12Å; V14-Y294 HydrophobicContact CG1-CE2 4.01Å; V14-Y294 PolarHBondContact O-OH 3.14Å; V14-Y294 VanDerWaalsContact O-OH 3.08Å; V14-I334 HydrophobicContact CG1-CD1 4.17Å; V14-I334 HydrophobicContact CG2-CD1 3.66Å; V14-M350 HydrophobicContact CG1-CB 4.3Å; V14-M350 HydrophobicContact CG1-CE 4.03Å; V14-T351 VanDerWaalsContact CA-O 3.31Å; V14-T351 WeakPolarHBondContact CA-O 3.1Å; V14-V352 HydrophobicContact CG2-CG2 3.71Å | ||
| 15 | F | 98 | Very high | 91.3 | Very high | 91 Ų | 91 | 71.3 Ų | 71.3 | 40% | 0.399 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 150.1 | 176.2 | 67.7 | -82.1 | 0 | 0 | 0 | 110.6 | H13 Q17 M350 T351 P353 | H13-F15 PolarHBondContact O-N 2.92Å; F15-Q17 HydrophobicContact CE2-CB 4.23Å; F15-M350 WeakPolarHBondContact O-CA 3.39Å; F15-T351 HydrophobicContact CE1-CG2 4.12Å; F15-T351 HydrophobicContact CZ-CG2 4.14Å; F15-T351 PolarHBondContact N-O 3.11Å; F15-T351 VanDerWaalsContact N-O 3.16Å; F15-T351 PolarHBondContact O-N 3.28Å; F15-P353 HydrophobicContact CD1-CG 4.47Å; F15-P353 HydrophobicContact CE1-CB 4.07Å; F15-P353 HydrophobicContact CE1-CG 4.36Å |
| 16 | G | 98.2 | Very high | 93.3 | Very high | 15 Ų | 15 | 68.7 Ų | 68.7 | 16% | 0.155 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 130.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F310 A349 M350 | G16-F310 WeakPolarHBondContact O-CD2 3.49Å; G16-A349 CarbonylContact C-O 3.56Å; G16-A349 WeakPolarHBondContact CA-O 3.16Å; G16-M350 VanDerWaalsContact CA-SD 3.54Å |
| 17 | Q | 98.3 | Very high | 94.8 | Very high | 109 Ų | 109 | 65 Ų | 65 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 111.4 | 176.6 | 179.3 | 58.4 | 64.8 | 0 | 0 | 109.3 | F15 I348 A349 | F15-Q17 HydrophobicContact CE2-CB 4.23Å; Q17-I348 WeakPolarHBondContact O-CA 3.5Å; Q17-A349 PolarHBondContact N-O 2.83Å; Q17-A349 PolarHBondContact O-N 3.27Å |
| 18 | P | 98.1 | Very high | 95.6 | Very high | 36 Ų | 36 | 62.1 Ų | 62.1 | 23% | 0.234 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 141.1 | 170.5 | -21.8 | 34.3 | 0 | 0 | 0 | 110.4 | F310 E346 I348 | P18-F310 HydrophobicContact CG-CE2 3.71Å; P18-F310 HydrophobicContact CG-CZ 3.69Å; P18-E346 HydrophobicContact CB-CG 4.42Å; P18-I348 HydrophobicContact CB-CG1 4.5Å |
| 19 | A | 97.4 | Very high | 96.2 | Very high | 26 Ų | 26 | 62 Ų | 62 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 160.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q23 P347 | A19-Q23 HydrophobicContact CB-CB 3.9Å; A19-P347 HydrophobicContact CB-CB 3.99Å; A19-P347 HydrophobicContact CB-CG 4.27Å; A19-P347 WeakPolarHBondContact CB-O 3.44Å; A19-P347 PolarHBondContact N-O 3.46Å |
| 20 | K | 96.9 | Very high | 96.4 | Very high | 149 Ų | 149 | 61.5 Ų | 61.5 | 65% | 0.648 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 159.2 | 174.8 | -64.5 | 179.1 | -175.6 | 177.4 | 0 | 110.1 | D22 Q23 C24 | K20-D22 VanDerWaalsContact C-N 3.26Å; K20-D22 WeakPolarHBondContact CB-OD1 3.15Å; K20-D22 PolarHBondContact O-N 3.09Å; K20-Q23 CarbonylContact O-C 3.5Å; K20-Q23 WeakPolarHBondContact O-CA 3.38Å; K20-Q23 WeakPolarHBondContact O-CB 3.33Å; K20-Q23 PolarHBondContact O-N 3.42Å; K20-C24 PolarHBondContact O-N 3.3Å; K20-C24 PolarHBondContact O-SG 3.11Å |
| 21 | A | 93.4 | Very high | 96.5 | Very high | 63 Ų | 63 | 57.4 Ų | 57.4 | 52% | 0.521 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -56.5 | -37.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q23 C24 | A21-Q23 PolarHBondContact O-N 3Å; A21-C24 WeakPolarHBondContact O-CB 3.26Å; A21-C24 PolarHBondContact O-N 2.92Å; A21-C24 VanDerWaalsContact O-N 3.09Å |
| 22 | D | 94.8 | Very high | 96.3 | Very high | 108 Ų | 108 | 61.1 Ų | 61.1 | 58% | 0.578 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -67.7 | -13.4 | 175.7 | 61.5 | -30.7 | 0 | 0 | 0 | 114.1 | K20 T67 | K20-D22 VanDerWaalsContact C-N 3.26Å; K20-D22 WeakPolarHBondContact CB-OD1 3.15Å; K20-D22 PolarHBondContact O-N 3.09Å; D22-T67 VanDerWaalsContact O-CB 3.27Å; D22-T67 WeakPolarHBondContact O-CB 3.34Å; D22-T67 PolarHBondContact O-OG1 3.2Å |
| 23 | Q | 96.8 | Very high | 96.4 | Very high | 100 Ų | 100 | 57.4 Ų | 57.4 | 47% | 0.467 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -103.9 | 0.4 | 175.4 | -58.4 | -175.7 | -53.4 | 0 | 0 | 112.8 | A19 K20 A21 T67 | A19-Q23 HydrophobicContact CB-CB 3.9Å; K20-Q23 CarbonylContact O-C 3.5Å; K20-Q23 WeakPolarHBondContact O-CA 3.38Å; K20-Q23 WeakPolarHBondContact O-CB 3.33Å; K20-Q23 PolarHBondContact O-N 3.42Å; A21-Q23 PolarHBondContact O-N 3Å; Q23-T67 WeakPolarHBondContact O-CG2 3.41Å |
| 24 | C | 98 | Very high | 96.3 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -89 | 167.4 | 172.5 | -66.3 | 0 | 0 | 0 | 0 | 110.9 | K20 A21 G68 | K20-C24 PolarHBondContact O-N 3.3Å; K20-C24 PolarHBondContact O-SG 3.11Å; A21-C24 WeakPolarHBondContact O-CB 3.26Å; A21-C24 PolarHBondContact O-N 2.92Å; A21-C24 VanDerWaalsContact O-N 3.09Å; C24-G68 WeakPolarHBondContact O-CA 3.47Å; C24-G68 PolarHBondContact O-N 3.41Å |
| 25 | Y | 98.3 | Very high | 96.1 | Very high | 3 Ų | 3 | 60 Ų | 60 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 110.2 | 171 | -48.5 | -98.7 | 0 | 0 | 0 | 108 | V47 L62 L64 K66 T67 Y338 R344 C345 P347 | Y25-V47 HydrophobicContact CD1-CG1 4.1Å; Y25-V47 HydrophobicContact CD2-CG1 4.43Å; Y25-V47 HydrophobicContact CE1-CG1 3.56Å; Y25-V47 HydrophobicContact CE2-CG1 3.99Å; Y25-V47 HydrophobicContact CG-CG1 4.49Å; Y25-L62 HydrophobicContact CD1-CD1 3.67Å; Y25-L62 HydrophobicContact CE1-CB 4.42Å; Y25-L62 HydrophobicContact CE1-CD1 4.35Å; Y25-L62 HydrophobicContact CG-CD1 4.47Å; Y25-L64 WeakPolarHBondContact OH-CA 3.37Å; Y25-L64 PolarHBondContact OH-O 2.93Å; Y25-K66 WeakPolarHBondContact CD1-O 3.32Å; Y25-K66 WeakPolarHBondContact CE1-O 3.33Å; Y25-T67 HydrophobicContact CE1-CG2 4.14Å; Y25-Y338 HydrophobicContact CE2-CD1 4.23Å; Y25-Y338 AromaticContact CE2-CE1 3.93Å; Y25-Y338 HydrophobicContact CE2-CE1 3.93Å; Y25-R344 CarbonylContact O-C 3.59Å; Y25-R344 WeakPolarHBondContact O-CA 3.37Å; Y25-C345 HydrophobicContact CD2-CB 3.97Å; Y25-C345 HydrophobicContact CG-CB 4.45Å; Y25-C345 PolarHBondContact N-O 3.42Å; Y25-C345 PolarHBondContact O-N 3.5Å; Y25-P347 HydrophobicContact CE2-CG 4.31Å |
| 26 | E | 97.4 | Very high | 95.9 | Very high | 76 Ų | 76 | 58.3 Ų | 58.3 | 36% | 0.355 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 160.1 | -171.8 | -59.4 | -172.4 | 165 | 0 | 0 | 112.5 | V28 G68 V70 | E26-V28 PolarHBondContact O-N 3.14Å; E26-G68 PolarHBondContact N-O 3.14Å; E26-V70 WeakPolarHBondContact O-CB 3.49Å; E26-V70 WeakPolarHBondContact O-CG2 3.39Å; E26-V70 PolarHBondContact O-N 3.28Å |
| 27 | D | 95.8 | Very high | 95.7 | Very high | 42 Ų | 42 | 58 Ų | 58 | 23% | 0.225 | 30% | 0.301 | C | S | . | . | S | Bend | trans | 59.5 | 23.5 | -178.7 | -91.9 | -12 | 0 | 0 | 0 | 114.5 | R69 R343 | D27-R69 HydrophobicContact CB-CG 4.12Å; D27-R69 IonicContact OD2-CZ 3.5Å; D27-R69 IonicContact OD2-NE 3.29Å; D27-R69 PolarHBondContact OD2-NE 3.49Å; D27-R69 IonicContact OD2-NH2 2.73Å; D27-R69 PolarHBondContact OD2-NH2 2.87Å; D27-R343 PolarHBondContact N-O 2.74Å; D27-R343 IonicContact OD1-CZ 3.93Å; D27-R343 IonicContact OD1-NE 3.37Å; D27-R343 IonicContact OD1-NH2 3.49Å; D27-R343 PolarHBondContact OD1-NH2 3.1Å |
| 28 | V | 95.3 | Very high | 95.5 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.018 | 28% | 0.284 | C | S | . | . | trans | -76.8 | 142.1 | 171.9 | -63.2 | 0 | 0 | 0 | 0 | 110.8 | E26 V30 L49 L60 V70 R343 | E26-V28 PolarHBondContact O-N 3.14Å; V28-V30 HydrophobicContact CG2-CG2 4.07Å; V28-V30 PolarHBondContact O-N 2.92Å; V28-L49 HydrophobicContact CB-CD1 4.17Å; V28-L49 HydrophobicContact CB-CD2 4.12Å; V28-L49 HydrophobicContact CG1-CD2 4Å; V28-L49 HydrophobicContact CG2-CD2 4.23Å; V28-L60 HydrophobicContact CG1-CD2 3.88Å; V28-V70 HydrophobicContact CG1-CB 4.09Å; V28-V70 HydrophobicContact CG1-CG2 3.64Å; V28-R343 PolarHBondContact N-O 3.24Å; V28-R343 VanDerWaalsContact O-CA 3.23Å; V28-R343 WeakPolarHBondContact O-CA 3.08Å | ||
| 29 | R | 93.7 | Very high | 95.5 | Very high | 119 Ų | 119 | 52 Ų | 52 | 45% | 0.449 | 27% | 0.273 | S | S | . | . | trans | -97.5 | 78.4 | -179 | -64.8 | -172.5 | -64.2 | -94.7 | 2.1 | 110.9 | S31 C51 E52 K72 | R29-S31 PolarHBondContact O-N 3.02Å; R29-C51 CarbonylContact O-C 3.48Å; R29-C51 WeakPolarHBondContact O-CA 3.34Å; R29-E52 PolarHBondContact O-N 3.39Å; R29-K72 PolarHBondContact NH1-O 3.08Å | ||
| 30 | V | 96.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -62.6 | 134.2 | -178 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | V28 Q32 R317 L340 H341 | V28-V30 HydrophobicContact CG2-CG2 4.07Å; V28-V30 PolarHBondContact O-N 2.92Å; V30-Q32 PolarHBondContact O-NE2 2.9Å; V30-R317 HydrophobicContact CG1-CB 4.18Å; V30-L340 HydrophobicContact CG1-CB 4.31Å; V30-L340 HydrophobicContact CG1-CD1 3.9Å; V30-L340 HydrophobicContact CG2-CB 4.33Å; V30-L340 HydrophobicContact CG2-CD1 4.39Å; V30-L340 HydrophobicContact CG2-CD2 4.39Å; V30-H341 WeakPolarHBondContact CG2-O 3.49Å |
| 31 | S | 95.8 | Very high | 95.7 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 6% | 0.056 | 24% | 0.24 | C | C | . | . | trans | -54.9 | 138 | 179 | 177.3 | 0 | 0 | 0 | 0 | 112.6 | R29 T33 I50 | R29-S31 PolarHBondContact O-N 3.02Å; S31-T33 WeakPolarHBondContact OG-CB 3.33Å; S31-T33 PolarHBondContact OG-N 2.65Å; S31-T33 VanDerWaalsContact OG-N 3.16Å; S31-T33 PolarHBondContact OG-OG1 3.22Å; S31-T33 VanDerWaalsContact OG-OG1 3.12Å; S31-I50 PolarHBondContact N-O 3.22Å | ||
| 32 | Q | 93.4 | Very high | 95.9 | Very high | 82 Ų | 82 | 42 Ų | 42 | 38% | 0.383 | 22% | 0.217 | S | C | . | . | trans | -95.6 | 4.6 | 174.7 | -58.8 | -56.5 | -51.5 | 0 | 0 | 112.7 | V30 T34 | V30-Q32 PolarHBondContact O-NE2 2.9Å; Q32-T34 PolarHBondContact O-N 2.86Å | ||
| 33 | T | 94.6 | Very high | 96.1 | Very high | 35 Ų | 35 | 37 Ų | 37 | 22% | 0.215 | 19% | 0.19 | C | C | . | . | trans | -58.3 | 131.5 | 178.6 | -59.5 | 0 | 0 | 0 | 0 | 110.6 | S31 W35 F39 L85 | S31-T33 WeakPolarHBondContact OG-CB 3.33Å; S31-T33 PolarHBondContact OG-N 2.65Å; S31-T33 VanDerWaalsContact OG-N 3.16Å; S31-T33 PolarHBondContact OG-OG1 3.22Å; S31-T33 VanDerWaalsContact OG-OG1 3.12Å; T33-W35 HydrophobicContact CG2-CB 4.37Å; T33-W35 PolarHBondContact O-N 2.84Å; T33-F39 WeakPolarHBondContact O-CE2 3.22Å; T33-F39 WeakPolarHBondContact O-CZ 3.36Å; T33-L85 HydrophobicContact CG2-CD2 3.78Å | ||
| 34 | T | 93.3 | Very high | 96.1 | Very high | 136 Ų | 136 | 33.1 Ų | 33.1 | 83% | 0.834 | 17% | 0.174 | S | C | * | . | trans | -77.9 | 90.1 | 175.3 | -52.7 | 0 | 0 | 0 | 0 | 109.7 | Q32 | Q32-T34 PolarHBondContact O-N 2.86Š| ||
| 35 | W | 95.6 | Very high | 96.1 | Very high | 55 Ų | 55 | 35.4 Ų | 35.4 | 21% | 0.208 | 18% | 0.183 | C | C | . | . | trans | -144.5 | 145.5 | 176.1 | -163.2 | -107.3 | 0 | 0 | 0 | 110.3 | T33 S37 F39 L85 G135 C152 K287 | T33-W35 HydrophobicContact CG2-CB 4.37Å; T33-W35 PolarHBondContact O-N 2.84Å; W35-S37 PolarHBondContact O-N 3.48Å; W35-F39 HydrophobicContact CB-CE1 3.92Å; W35-F39 HydrophobicContact CB-CZ 4.01Å; W35-L85 HydrophobicContact CB-CD2 4.18Å; W35-L85 VanDerWaalsContact CD1-O 3.31Å; W35-L85 HydrophobicContact CD2-CB 4.49Å; W35-L85 HydrophobicContact CD2-CD1 4.24Å; W35-L85 HydrophobicContact CD2-CD2 4.16Å; W35-L85 HydrophobicContact CE3-CD1 4.4Å; W35-L85 HydrophobicContact CE3-CD2 4.44Å; W35-L85 HydrophobicContact CG-CB 4.29Å; W35-L85 HydrophobicContact CG-CD2 4.03Å; W35-L85 HydrophobicContact CZ2-CD1 4.45Å; W35-G135 PolarHBondContact NE1-O 2.82Å; W35-C152 VanDerWaalsContact CH2-SG 3.59Å; W35-K287 WeakPolarHBondContact O-CE 3.15Å; W35-K287 PolarHBondContact O-NZ 3.45Å | ||
| 36 | D | 92.3 | Very high | 96.1 | Very high | 55 Ų | 55 | 35.4 Ų | 35.4 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | trans | -95.5 | 30.3 | -171 | -71.4 | -32.2 | 0 | 0 | 0 | 113.4 | R225 L272 | D36-R225 PolarHBondContact O-NH2 3.44Å; D36-L272 WeakPolarHBondContact O-CD2 3.31Å | ||
| 37 | S | 94.6 | Very high | 96.2 | Very high | 9 Ų | 9 | 31.8 Ų | 31.8 | 6% | 0.063 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -90.6 | 173.3 | 169.7 | 69.5 | 0 | 0 | 0 | 0 | 111.9 | W35 F39 L85 K287 | W35-S37 PolarHBondContact O-N 3.48Å; S37-F39 VanDerWaalsContact C-N 3.3Å; S37-F39 PolarHBondContact O-N 3.35Å; S37-F39 WeakPolarHBondContact OG-CD1 3.46Å; S37-F39 WeakPolarHBondContact OG-CE1 3.11Å; S37-L85 WeakPolarHBondContact CB-O 3.48Å; S37-L85 PolarHBondContact OG-O 3.14Å; S37-K287 WeakPolarHBondContact O-CE 3.32Å; S37-K287 PolarHBondContact O-NZ 2.91Å; S37-K287 VanDerWaalsContact O-NZ 3.1Å |
| 38 | G | 94.8 | Very high | 96.3 | Very high | 15 Ų | 15 | 29.8 Ų | 29.8 | 16% | 0.155 | 16% | 0.156 | C | C | . | . | trans | -66.3 | -25 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | C40 G318 M319 | G38-C40 PolarHBondContact O-N 3.09Å; G38-G318 CarbonylContact O-C 3.56Å; G38-G318 WeakPolarHBondContact O-CA 3.47Å; G38-M319 PolarHBondContact O-N 2.99Å | ||
| 39 | F | 98.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 1% | 0.013 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | 57.8 | -2.5 | -171.6 | -74.7 | 8 | 0 | 0 | 0 | 115.9 | T33 W35 S37 L49 I50 K287 L340 | T33-F39 WeakPolarHBondContact O-CE2 3.22Å; T33-F39 WeakPolarHBondContact O-CZ 3.36Å; W35-F39 HydrophobicContact CB-CE1 3.92Å; W35-F39 HydrophobicContact CB-CZ 4.01Å; S37-F39 VanDerWaalsContact C-N 3.3Å; S37-F39 PolarHBondContact O-N 3.35Å; S37-F39 WeakPolarHBondContact OG-CD1 3.46Å; S37-F39 WeakPolarHBondContact OG-CE1 3.11Å; F39-L49 WeakPolarHBondContact O-CA 3.27Å; F39-I50 HydrophobicContact CB-CB 4.5Å; F39-I50 HydrophobicContact CD1-CD1 3.86Å; F39-I50 HydrophobicContact CE1-CD1 4.38Å; F39-I50 HydrophobicContact CG-CD1 4.43Å; F39-I50 PolarHBondContact O-N 3.19Å; F39-K287 VanDerWaalsContact CD1-NZ 3.33Å; F39-K287 VanDerWaalsContact CD2-NZ 3.27Å; F39-K287 VanDerWaalsContact CE1-NZ 3.33Å; F39-K287 VanDerWaalsContact CE2-NZ 3.26Å; F39-K287 VanDerWaalsContact CG-NZ 3.31Å; F39-K287 VanDerWaalsContact CZ-NZ 3.3Å; F39-L340 HydrophobicContact CB-CD1 3.87Å |
| 40 | C | 98.5 | Very high | 96.6 | Very high | 10 Ų | 10 | 24.1 Ų | 24.1 | 7% | 0.068 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 128.8 | -178.6 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | G38 A48 G320 L340 | G38-C40 PolarHBondContact O-N 3.09Å; C40-A48 CarbonylContact C-O 3.52Å; C40-A48 VanDerWaalsContact CA-O 3.3Å; C40-A48 WeakPolarHBondContact CA-O 3.36Å; C40-G320 WeakPolarHBondContact O-CA 3.3Å; C40-L340 HydrophobicContact CB-CD1 3.72Å; C40-L340 HydrophobicContact CB-CD2 4.14Å; C40-L340 HydrophobicContact CB-CG 3.81Å |
| 41 | A | 98.8 | Very high | 96.5 | Very high | 11 Ų | 11 | 24.8 Ų | 24.8 | 9% | 0.091 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | A48 I87 W89 | A41-A48 PolarHBondContact N-O 3.42Å; A41-A48 WeakPolarHBondContact O-CA 3.22Å; A41-A48 WeakPolarHBondContact O-CB 3.48Å; A41-A48 PolarHBondContact O-N 3.18Å; A41-I87 HydrophobicContact CB-CD1 4.02Å; A41-I87 HydrophobicContact CB-CG1 3.9Å; A41-I87 WeakPolarHBondContact CB-O 3.46Å; A41-W89 VanDerWaalsContact C-CD1 3.5Å; A41-W89 VanDerWaalsContact C-NE1 3.28Å; A41-W89 PolarHBondContact O-NE1 3.16Å |
| 42 | V | 98.8 | Very high | 96.1 | Very high | 8 Ų | 8 | 30 Ų | 30 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 149.2 | -178.7 | -62.7 | 0 | 0 | 0 | 0 | 110.3 | F46 V47 W89 Y321 M322 P323 Y338 | V42-F46 WeakPolarHBondContact CA-O 3.3Å; V42-V47 HydrophobicContact CG1-CB 3.91Å; V42-V47 HydrophobicContact CG1-CG2 3.72Å; V42-W89 VanDerWaalsContact C-CD1 3.48Å; V42-Y321 VanDerWaalsContact CG2-O 3.24Å; V42-Y321 WeakPolarHBondContact CG2-O 3.38Å; V42-M322 HydrophobicContact CB-CE 4.12Å; V42-M322 HydrophobicContact CG2-CB 4.26Å; V42-M322 HydrophobicContact CG2-CE 4.18Å; V42-P323 VanDerWaalsContact O-CD 3.27Å; V42-P323 WeakPolarHBondContact O-CD 3.41Å; V42-Y338 HydrophobicContact CB-CD2 4.16Å; V42-Y338 HydrophobicContact CB-CE2 4.29Å; V42-Y338 HydrophobicContact CB-CG 4.47Å; V42-Y338 HydrophobicContact CG1-CD1 3.8Å; V42-Y338 HydrophobicContact CG1-CD2 3.71Å; V42-Y338 HydrophobicContact CG1-CE1 4.2Å; V42-Y338 HydrophobicContact CG1-CE2 4.15Å; V42-Y338 HydrophobicContact CG1-CG 3.54Å; V42-Y338 HydrophobicContact CG2-CD2 3.77Å; V42-Y338 HydrophobicContact CG2-CE2 4.07Å; V42-Y338 HydrophobicContact CG2-CG 4.41Å |
| 43 | N | 98.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.011 | 16% | 0.16 | C | C | . | . | trans | -139.3 | -179.7 | 169.8 | 77.6 | 9.3 | 0 | 0 | 0 | 108.9 | K45 F46 L64 W89 D94 M322 | N43-K45 PolarHBondContact O-N 2.74Å; N43-K45 WeakPolarHBondContact OD1-CA 3.38Å; N43-K45 PolarHBondContact OD1-N 3Å; N43-F46 PolarHBondContact N-O 3.09Å; N43-F46 PolarHBondContact O-N 2.75Å; N43-F46 PolarHBondContact OD1-N 3.26Å; N43-L64 WeakPolarHBondContact O-CD1 3.25Å; N43-W89 HydrophobicContact CB-CB 4.17Å; N43-W89 HydrophobicContact CB-CD2 4.24Å; N43-W89 HydrophobicContact CB-CG 3.87Å; N43-W89 VanDerWaalsContact ND2-CD2 3.28Å; N43-D94 VanDerWaalsContact ND2-C 3.34Å; N43-D94 VanDerWaalsContact ND2-CA 3.32Å; N43-D94 WeakPolarHBondContact ND2-CA 3.26Å; N43-D94 PolarHBondContact ND2-O 3.05Å; N43-M322 WeakPolarHBondContact O-CE 3.38Å | ||
| 44 | P | 97.5 | Very high | 94.7 | Very high | 19 Ų | 19 | 33.2 Ų | 33.2 | 12% | 0.123 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -63.8 | -11.1 | -177.3 | -27.5 | 38.7 | 0 | 0 | 0 | 116.2 | L64 R325 Y396 | P44-L64 VanDerWaalsContact O-CD1 3.32Å; P44-L64 WeakPolarHBondContact O-CD1 3.32Å; P44-R325 HydrophobicContact CG-CB 3.73Å; P44-Y396 HydrophobicContact CB-CD2 3.59Å; P44-Y396 HydrophobicContact CB-CE2 3.2Å; P44-Y396 HydrophobicContact CG-CD2 4.12Å; P44-Y396 HydrophobicContact CG-CE2 3.7Å |
| 45 | K | 97.1 | Very high | 94 | Very high | 51 Ų | 51 | 30.5 Ų | 30.5 | 22% | 0.222 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -106.9 | -37.7 | 178.6 | -73.1 | -169.8 | 174 | -175 | 0 | 113.3 | N43 P63 L64 D94 N95 D113 | N43-K45 PolarHBondContact O-N 2.74Å; N43-K45 WeakPolarHBondContact OD1-CA 3.38Å; N43-K45 PolarHBondContact OD1-N 3Å; K45-P63 WeakPolarHBondContact O-CA 3.4Å; K45-L64 PolarHBondContact O-N 3.38Å; K45-D94 HydrophobicContact CD-CB 3.93Å; K45-D94 HydrophobicContact CG-CB 4.08Å; K45-N95 PolarHBondContact NZ-OD1 3.39Å; K45-D113 IonicContact NZ-OD1 3.31Å; K45-D113 PolarHBondContact NZ-OD1 3.35Å; K45-D113 IonicContact NZ-OD2 2.89Å |
| 46 | F | 98.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 151.4 | -165.5 | -53.7 | -73.2 | 0 | 0 | 0 | 113.3 | V42 N43 V61 L62 P63 W89 D94 I111 | V42-F46 WeakPolarHBondContact CA-O 3.3Å; N43-F46 PolarHBondContact N-O 3.09Å; N43-F46 PolarHBondContact O-N 2.75Å; N43-F46 PolarHBondContact OD1-N 3.26Å; F46-V61 HydrophobicContact CB-CG1 3.92Å; F46-V61 HydrophobicContact CD1-CG1 4.09Å; F46-V61 HydrophobicContact CG-CG1 4.08Å; F46-L62 CarbonylContact C-O 3.59Å; F46-L62 VanDerWaalsContact CA-O 3.25Å; F46-L62 WeakPolarHBondContact CA-O 3.42Å; F46-P63 HydrophobicContact CD1-CB 4.47Å; F46-P63 HydrophobicContact CD1-CG 4.41Å; F46-P63 HydrophobicContact CE1-CG 4.34Å; F46-W89 HydrophobicContact CB-CH2 3.61Å; F46-W89 HydrophobicContact CB-CZ2 3.44Å; F46-W89 VanDerWaalsContact CB-CZ2 3.44Å; F46-W89 AromaticContact CD2-CH2 3.63Å; F46-W89 HydrophobicContact CD2-CH2 3.63Å; F46-W89 HydrophobicContact CD2-CZ2 4.29Å; F46-W89 AromaticContact CD2-CZ3 3.95Å; F46-W89 HydrophobicContact CD2-CZ3 3.95Å; F46-W89 AromaticContact CG-CH2 3.85Å; F46-W89 HydrophobicContact CG-CH2 3.85Å; F46-W89 HydrophobicContact CG-CZ2 4.21Å; F46-D94 VanDerWaalsContact CD2-O 3.3Å; F46-D94 WeakPolarHBondContact CD2-O 3.49Å; F46-D94 WeakPolarHBondContact CE2-O 3.45Å; F46-I111 HydrophobicContact CD1-CG2 4.37Å; F46-I111 HydrophobicContact CE1-CG2 4Å; F46-I111 HydrophobicContact CE2-CB 4.42Å; F46-I111 HydrophobicContact CE2-CG2 4.19Å; F46-I111 HydrophobicContact CZ-CG2 3.9Å |
| 47 | V | 98.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.7 | 159.1 | 54.8 | 0 | 0 | 0 | 0 | 109 | Y25 V42 V61 L62 L64 Y338 | Y25-V47 HydrophobicContact CD1-CG1 4.1Å; Y25-V47 HydrophobicContact CD2-CG1 4.43Å; Y25-V47 HydrophobicContact CE1-CG1 3.56Å; Y25-V47 HydrophobicContact CE2-CG1 3.99Å; Y25-V47 HydrophobicContact CG-CG1 4.49Å; V42-V47 HydrophobicContact CG1-CB 3.91Å; V42-V47 HydrophobicContact CG1-CG2 3.72Å; V47-V61 WeakPolarHBondContact O-CA 3.33Å; V47-L62 HydrophobicContact CG1-CB 3.91Å; V47-L62 PolarHBondContact N-O 3.42Å; V47-L62 PolarHBondContact O-N 3.23Å; V47-L64 HydrophobicContact CB-CD2 4.21Å; V47-Y338 HydrophobicContact CB-CD1 4.42Å; V47-Y338 HydrophobicContact CB-CE1 4.41Å; V47-Y338 HydrophobicContact CG2-CD1 4.07Å |
| 48 | A | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 135.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | C40 A41 F59 L60 V61 I87 W89 I97 | C40-A48 CarbonylContact C-O 3.52Å; C40-A48 VanDerWaalsContact CA-O 3.3Å; C40-A48 WeakPolarHBondContact CA-O 3.36Å; A41-A48 PolarHBondContact N-O 3.42Å; A41-A48 WeakPolarHBondContact O-CA 3.22Å; A41-A48 WeakPolarHBondContact O-CB 3.48Å; A41-A48 PolarHBondContact O-N 3.18Å; A48-F59 HydrophobicContact CB-CD2 4.39Å; A48-L60 CarbonylContact C-O 3.59Å; A48-L60 WeakPolarHBondContact CA-O 3.47Å; A48-V61 HydrophobicContact CB-CG2 4.08Å; A48-I87 HydrophobicContact CB-CD1 3.84Å; A48-W89 HydrophobicContact CB-CZ2 3.79Å; A48-I97 HydrophobicContact CB-CD1 3.6Å |
| 49 | L | 97.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 137.2 | 178 | 62.3 | 93.8 | 0 | 0 | 0 | 111 | V28 F39 C51 F59 L60 L340 C345 | V28-L49 HydrophobicContact CB-CD1 4.17Å; V28-L49 HydrophobicContact CB-CD2 4.12Å; V28-L49 HydrophobicContact CG1-CD2 4Å; V28-L49 HydrophobicContact CG2-CD2 4.23Å; F39-L49 WeakPolarHBondContact O-CA 3.27Å; L49-C51 WeakPolarHBondContact CD1-SG 3.48Å; L49-C51 PolarHBondContact O-N 2.74Å; L49-F59 CarbonylContact O-C 3.43Å; L49-F59 VanDerWaalsContact O-CA 3.29Å; L49-F59 WeakPolarHBondContact O-CA 3.48Å; L49-F59 VanDerWaalsContact O-CB 3.31Å; L49-F59 WeakPolarHBondContact O-CB 3.2Å; L49-L60 HydrophobicContact CD1-CB 4.05Å; L49-L60 HydrophobicContact CD1-CD2 4.26Å; L49-L60 HydrophobicContact CD2-CD2 4.21Å; L49-L60 HydrophobicContact CG-CB 4.09Å; L49-L60 HydrophobicContact CG-CD2 4.29Å; L49-L60 PolarHBondContact N-O 3.1Å; L49-L60 PolarHBondContact O-N 3.15Å; L49-L340 HydrophobicContact CB-CD1 4.39Å; L49-L340 HydrophobicContact CB-CD2 4.22Å; L49-L340 HydrophobicContact CD2-CD2 4.49Å; L49-C345 HydrophobicContact CD2-CB 4.42Å |
| 50 | I | 97.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 125.1 | 178.5 | -57.7 | -179.2 | 0 | 0 | 0 | 108.9 | S31 F39 V84 I87 | S31-I50 PolarHBondContact N-O 3.22Å; F39-I50 HydrophobicContact CB-CB 4.5Å; F39-I50 HydrophobicContact CD1-CD1 3.86Å; F39-I50 HydrophobicContact CE1-CD1 4.38Å; F39-I50 HydrophobicContact CG-CD1 4.43Å; F39-I50 PolarHBondContact O-N 3.19Å; I50-V84 HydrophobicContact CD1-CG1 3.97Å; I50-V84 HydrophobicContact CG1-CG1 4.24Å; I50-V84 HydrophobicContact CG2-CB 4.06Å; I50-V84 WeakPolarHBondContact CG2-O 3.44Å; I50-I87 HydrophobicContact CD1-CG1 4.2Å; I50-I87 HydrophobicContact CD1-CG2 4.34Å; I50-I87 HydrophobicContact CG1-CD1 3.85Å; I50-I87 HydrophobicContact CG1-CG1 3.94Å; I50-I87 HydrophobicContact CG1-CG2 4.13Å |
| 51 | C | 94 | Very high | 94.1 | Very high | 15 Ų | 15 | 25.4 Ų | 25.4 | 10% | 0.101 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 155.6 | -175.4 | -70.4 | 0 | 0 | 0 | 0 | 112.1 | R29 L49 A58 L60 | R29-C51 CarbonylContact O-C 3.48Å; R29-C51 WeakPolarHBondContact O-CA 3.34Å; L49-C51 WeakPolarHBondContact CD1-SG 3.48Å; L49-C51 PolarHBondContact O-N 2.74Å; C51-A58 PolarHBondContact N-O 3.31Å; C51-L60 WeakPolarHBondContact SG-CB 3.5Å |
| 52 | E | 88.3 | Confident | 94.1 | Very high | 118 Ų | 118 | 25.8 Ų | 25.8 | 55% | 0.551 | 18% | 0.175 | S | C | * | . | P | Polyproline II helix | trans | -67.7 | 132.6 | 162.2 | -170.6 | 176.6 | -162.3 | 0 | 0 | 110.5 | R29 | R29-E52 PolarHBondContact O-N 3.39Š|
| 53 | A | 84.6 | Confident | 94.1 | Very high | 40 Ų | 40 | 26.4 Ų | 26.4 | 33% | 0.331 | 18% | 0.179 | S | C | . | . | trans | -131.2 | 134.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | G55 A58 | A53-G55 VanDerWaalsContact C-N 3.28Å; A53-G55 PolarHBondContact O-N 2.72Å; A53-A58 HydrophobicContact CB-CB 4Å | ||
| 54 | S | 73.9 | Confident | 94 | Very high | 144 Ų | 144 | 27.9 Ų | 27.9 | 100% | 1.007 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -79.9 | -0.7 | -173.5 | 56.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 55 | G | 77.2 | Confident | 93.9 | Very high | 80 Ų | 80 | 30.3 Ų | 30.3 | 83% | 0.825 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -168.1 | 36.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | A53 | A53-G55 VanDerWaalsContact C-N 3.28Å; A53-G55 PolarHBondContact O-N 2.72Å |
| 56 | G | 91.1 | Very high | 93.9 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 17% | 0.165 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 162.9 | -154.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 57 | G | 94.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 133.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | H80 A82 | G57-H80 PolarHBondContact N-O 2.83Å; G57-A82 WeakPolarHBondContact CA-O 3.25Å; G57-A82 PolarHBondContact N-O 3.12Å; G57-A82 VanDerWaalsContact N-O 3.09Å |
| 58 | A | 96.8 | Very high | 93.8 | Very high | 8 Ų | 8 | 36.9 Ų | 36.9 | 7% | 0.066 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 152.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C51 A53 V77 C78 | C51-A58 PolarHBondContact N-O 3.31Å; A53-A58 HydrophobicContact CB-CB 4Å; A58-V77 WeakPolarHBondContact CA-O 3.32Å; A58-V77 WeakPolarHBondContact CB-O 3.15Å; A58-C78 HydrophobicContact CB-CB 4.32Å |
| 59 | F | 98.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 148.2 | 167 | 63.8 | -87.2 | 0 | 0 | 0 | 109.9 | A48 L49 V61 T76 V77 V84 I87 I97 W109 | A48-F59 HydrophobicContact CB-CD2 4.39Å; L49-F59 CarbonylContact O-C 3.43Å; L49-F59 VanDerWaalsContact O-CA 3.29Å; L49-F59 WeakPolarHBondContact O-CA 3.48Å; L49-F59 VanDerWaalsContact O-CB 3.31Å; L49-F59 WeakPolarHBondContact O-CB 3.2Å; F59-V61 HydrophobicContact CD2-CG2 3.67Å; F59-V61 HydrophobicContact CE2-CG2 3.49Å; F59-V61 VanDerWaalsContact CE2-CG2 3.49Å; F59-T76 WeakPolarHBondContact O-CB 3.33Å; F59-V77 HydrophobicContact CD1-CB 3.99Å; F59-V77 HydrophobicContact CD1-CG1 4.31Å; F59-V77 HydrophobicContact CD2-CB 4.15Å; F59-V77 HydrophobicContact CD2-CG2 4.13Å; F59-V77 HydrophobicContact CE1-CB 3.57Å; F59-V77 HydrophobicContact CE1-CG1 3.49Å; F59-V77 VanDerWaalsContact CE1-CG1 3.49Å; F59-V77 HydrophobicContact CE1-CG2 4.26Å; F59-V77 HydrophobicContact CE2-CB 3.75Å; F59-V77 HydrophobicContact CE2-CG1 4.25Å; F59-V77 HydrophobicContact CE2-CG2 3.53Å; F59-V77 HydrophobicContact CG-CB 4.26Å; F59-V77 HydrophobicContact CZ-CB 3.45Å; F59-V77 VanDerWaalsContact CZ-CB 3.45Å; F59-V77 HydrophobicContact CZ-CG1 3.46Å; F59-V77 VanDerWaalsContact CZ-CG1 3.46Å; F59-V77 HydrophobicContact CZ-CG2 3.61Å; F59-V77 PolarHBondContact N-O 3.49Å; F59-V77 PolarHBondContact O-N 3.08Å; F59-V84 HydrophobicContact CD1-CG2 4.4Å; F59-I87 HydrophobicContact CD1-CG2 4.2Å; F59-I87 HydrophobicContact CE1-CG2 4.5Å; F59-I87 HydrophobicContact CG-CG2 4.22Å; F59-I97 HydrophobicContact CE2-CD1 3.97Å; F59-I97 HydrophobicContact CE2-CG2 4Å; F59-I97 HydrophobicContact CZ-CG2 3.99Å; F59-W109 AromaticContact CE1-NE1 3.74Å; F59-W109 AromaticContact CZ-CD1 3.69Å; F59-W109 HydrophobicContact CZ-CG 4.17Å; F59-W109 AromaticContact CZ-NE1 3.83Å |
| 60 | L | 98 | Very high | 93.7 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 141.1 | 177.5 | 173.8 | 67.8 | 0 | 0 | 0 | 109.1 | V28 A48 L49 C51 L62 V70 A74 T76 | V28-L60 HydrophobicContact CG1-CD2 3.88Å; A48-L60 CarbonylContact C-O 3.59Å; A48-L60 WeakPolarHBondContact CA-O 3.47Å; L49-L60 HydrophobicContact CD1-CB 4.05Å; L49-L60 HydrophobicContact CD1-CD2 4.26Å; L49-L60 HydrophobicContact CD2-CD2 4.21Å; L49-L60 HydrophobicContact CG-CB 4.09Å; L49-L60 HydrophobicContact CG-CD2 4.29Å; L49-L60 PolarHBondContact N-O 3.1Å; L49-L60 PolarHBondContact O-N 3.15Å; C51-L60 WeakPolarHBondContact SG-CB 3.5Å; L60-L62 HydrophobicContact CD1-CD2 3.99Å; L60-L62 HydrophobicContact CD1-CG 4.15Å; L60-L62 HydrophobicContact CD2-CD1 3.88Å; L60-L62 HydrophobicContact CD2-CG 4.03Å; L60-L62 HydrophobicContact CG-CD1 4.36Å; L60-L62 HydrophobicContact CG-CD2 4.35Å; L60-L62 HydrophobicContact CG-CG 3.95Å; L60-V70 HydrophobicContact CD2-CG1 4.07Å; L60-A74 HydrophobicContact CD1-CB 4.18Å; L60-T76 HydrophobicContact CB-CG2 4.42Å; L60-T76 HydrophobicContact CD1-CG2 4.4Å |
| 61 | V | 98.4 | Very high | 93.5 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 121.9 | 171.8 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | F46 V47 A48 F59 V77 W89 I111 | F46-V61 HydrophobicContact CB-CG1 3.92Å; F46-V61 HydrophobicContact CD1-CG1 4.09Å; F46-V61 HydrophobicContact CG-CG1 4.08Å; V47-V61 WeakPolarHBondContact O-CA 3.33Å; A48-V61 HydrophobicContact CB-CG2 4.08Å; F59-V61 HydrophobicContact CD2-CG2 3.67Å; F59-V61 HydrophobicContact CE2-CG2 3.49Å; F59-V61 VanDerWaalsContact CE2-CG2 3.49Å; V61-V77 HydrophobicContact CG2-CG2 3.95Å; V61-W89 HydrophobicContact CG1-CH2 3.82Å; V61-W89 HydrophobicContact CG1-CZ2 4.02Å; V61-I111 HydrophobicContact CG1-CG1 4.35Å; V61-I111 HydrophobicContact CG1-CG2 3.91Å; V61-I111 HydrophobicContact CG2-CD1 4.22Å |
| 62 | L | 98.2 | Very high | 93.3 | Very high | 19 Ų | 19 | 56.6 Ų | 56.6 | 10% | 0.099 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 138.3 | 177.8 | -63 | 174.5 | 0 | 0 | 0 | 110.3 | Y25 F46 V47 L60 V70 | Y25-L62 HydrophobicContact CD1-CD1 3.67Å; Y25-L62 HydrophobicContact CE1-CB 4.42Å; Y25-L62 HydrophobicContact CE1-CD1 4.35Å; Y25-L62 HydrophobicContact CG-CD1 4.47Å; F46-L62 CarbonylContact C-O 3.59Å; F46-L62 VanDerWaalsContact CA-O 3.25Å; F46-L62 WeakPolarHBondContact CA-O 3.42Å; V47-L62 HydrophobicContact CG1-CB 3.91Å; V47-L62 PolarHBondContact N-O 3.42Å; V47-L62 PolarHBondContact O-N 3.23Å; L60-L62 HydrophobicContact CD1-CD2 3.99Å; L60-L62 HydrophobicContact CD1-CG 4.15Å; L60-L62 HydrophobicContact CD2-CD1 3.88Å; L60-L62 HydrophobicContact CD2-CG 4.03Å; L60-L62 HydrophobicContact CG-CD1 4.36Å; L60-L62 HydrophobicContact CG-CD2 4.35Å; L60-L62 HydrophobicContact CG-CG 3.95Å; L62-V70 HydrophobicContact CD1-CG1 4.36Å; L62-V70 HydrophobicContact CD1-CG2 3.59Å |
| 63 | P | 98.1 | Very high | 93.5 | Very high | 21 Ų | 21 | 57.8 Ų | 57.8 | 14% | 0.136 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 141.2 | 163.2 | -20.8 | 31.3 | 0 | 0 | 0 | 110.8 | K45 F46 G65 K66 G114 | K45-P63 WeakPolarHBondContact O-CA 3.4Å; F46-P63 HydrophobicContact CD1-CB 4.47Å; F46-P63 HydrophobicContact CD1-CG 4.41Å; F46-P63 HydrophobicContact CE1-CG 4.34Å; P63-G65 PolarHBondContact O-N 3.42Å; P63-G65 VanDerWaalsContact O-N 3.08Å; P63-K66 HydrophobicContact CB-CG 4.24Å; P63-K66 HydrophobicContact CG-CD 4.01Å; P63-K66 HydrophobicContact CG-CG 4.2Å; P63-K66 PolarHBondContact O-N 2.78Å; P63-G114 VanDerWaalsContact CG-C 3.5Å; P63-G114 WeakPolarHBondContact CG-O 3.48Å |
| 64 | L | 97.2 | Very high | 93.9 | Very high | 33 Ų | 33 | 57 Ų | 57 | 17% | 0.173 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -29.6 | -177 | -70.8 | -176.5 | 0 | 0 | 0 | 114 | Y25 N43 P44 K45 V47 K66 M322 Y338 | Y25-L64 WeakPolarHBondContact OH-CA 3.37Å; Y25-L64 PolarHBondContact OH-O 2.93Å; N43-L64 WeakPolarHBondContact O-CD1 3.25Å; P44-L64 VanDerWaalsContact O-CD1 3.32Å; P44-L64 WeakPolarHBondContact O-CD1 3.32Å; K45-L64 PolarHBondContact O-N 3.38Å; V47-L64 HydrophobicContact CB-CD2 4.21Å; L64-K66 VanDerWaalsContact C-N 3.34Å; L64-M322 HydrophobicContact CD1-CE 3.81Å; L64-M322 HydrophobicContact CD2-CE 4.14Å; L64-Y338 HydrophobicContact CD2-CE1 4.11Å; L64-Y338 WeakPolarHBondContact CD2-OH 3.38Å |
| 65 | G | 95.9 | Very high | 95 | Very high | 71 Ų | 71 | 51.6 Ų | 51.6 | 73% | 0.732 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -10.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P63 T67 | P63-G65 PolarHBondContact O-N 3.42Å; P63-G65 VanDerWaalsContact O-N 3.08Å; G65-T67 VanDerWaalsContact C-N 3.27Å; G65-T67 PolarHBondContact O-N 3.33Å; G65-T67 VanDerWaalsContact O-N 3.13Å |
| 66 | K | 96.5 | Very high | 95.9 | Very high | 117 Ų | 117 | 49.1 Ų | 49.1 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | trans | -88.5 | 63.3 | 178.7 | -69 | -166 | -176.8 | 163.8 | 0 | 110.7 | Y25 P63 L64 G114 | Y25-K66 WeakPolarHBondContact CD1-O 3.32Å; Y25-K66 WeakPolarHBondContact CE1-O 3.33Å; P63-K66 HydrophobicContact CB-CG 4.24Å; P63-K66 HydrophobicContact CG-CD 4.01Å; P63-K66 HydrophobicContact CG-CG 4.2Å; P63-K66 PolarHBondContact O-N 2.78Å; L64-K66 VanDerWaalsContact C-N 3.34Å; K66-G114 PolarHBondContact NZ-O 3.47Å; K66-G114 VanDerWaalsContact NZ-O 3.15Å | ||
| 67 | T | 97.7 | Very high | 96.2 | Very high | 59 Ų | 59 | 48.4 Ų | 48.4 | 36% | 0.362 | 27% | 0.266 | S | S | . | . | trans | -82.7 | 173 | 175.4 | 61.7 | 0 | 0 | 0 | 0 | 111.9 | D22 Q23 Y25 G65 | D22-T67 VanDerWaalsContact O-CB 3.27Å; D22-T67 WeakPolarHBondContact O-CB 3.34Å; D22-T67 PolarHBondContact O-OG1 3.2Å; Q23-T67 WeakPolarHBondContact O-CG2 3.41Å; Y25-T67 HydrophobicContact CE1-CG2 4.14Å; G65-T67 VanDerWaalsContact C-N 3.27Å; G65-T67 PolarHBondContact O-N 3.33Å; G65-T67 VanDerWaalsContact O-N 3.13Å | ||
| 68 | G | 97.3 | Very high | 96.1 | Very high | 17 Ų | 17 | 49.9 Ų | 49.9 | 18% | 0.175 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 92.2 | -155.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | C24 E26 V70 | C24-G68 WeakPolarHBondContact O-CA 3.47Å; C24-G68 PolarHBondContact O-N 3.41Å; E26-G68 PolarHBondContact N-O 3.14Å; G68-V70 PolarHBondContact O-N 3.48Å |
| 69 | R | 97.4 | Very high | 96 | Very high | 175 Ų | 175 | 50.6 Ų | 50.6 | 66% | 0.66 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 123.3 | -176.9 | -169.6 | -178.1 | -174.6 | -153.5 | 2.7 | 111.6 | D27 | D27-R69 HydrophobicContact CB-CG 4.12Å; D27-R69 IonicContact OD2-CZ 3.5Å; D27-R69 IonicContact OD2-NE 3.29Å; D27-R69 PolarHBondContact OD2-NE 3.49Å; D27-R69 IonicContact OD2-NH2 2.73Å; D27-R69 PolarHBondContact OD2-NH2 2.87Å |
| 70 | V | 96.7 | Very high | 95.9 | Very high | 15 Ų | 15 | 51 Ų | 51 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 132.6 | 175.7 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | E26 V28 L60 L62 G68 A74 | E26-V70 WeakPolarHBondContact O-CB 3.49Å; E26-V70 WeakPolarHBondContact O-CG2 3.39Å; E26-V70 PolarHBondContact O-N 3.28Å; V28-V70 HydrophobicContact CG1-CB 4.09Å; V28-V70 HydrophobicContact CG1-CG2 3.64Å; L60-V70 HydrophobicContact CD2-CG1 4.07Å; L62-V70 HydrophobicContact CD1-CG1 4.36Å; L62-V70 HydrophobicContact CD1-CG2 3.59Å; G68-V70 PolarHBondContact O-N 3.48Å; V70-A74 HydrophobicContact CG1-CB 3.7Å |
| 71 | D | 94.2 | Very high | 95.9 | Very high | 107 Ų | 107 | 56.1 Ų | 56.1 | 57% | 0.572 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 141.5 | 177.1 | -170 | -87.4 | 0 | 0 | 0 | 111.1 | N73 A74 | D71-N73 PolarHBondContact O-N 2.82Å; D71-N73 VanDerWaalsContact O-N 3.15Å; D71-N73 WeakPolarHBondContact OD1-CA 3.38Å; D71-N73 VanDerWaalsContact OD1-CB 3.27Å; D71-N73 WeakPolarHBondContact OD1-CB 3.42Å; D71-N73 PolarHBondContact OD1-N 2.86Å; D71-A74 WeakPolarHBondContact O-CB 3.41Å; D71-A74 PolarHBondContact O-N 3.05Å |
| 72 | K | 89.8 | Confident | 95.8 | Very high | 134 Ų | 134 | 57 Ų | 57 | 58% | 0.583 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -26.5 | -178.5 | -68.6 | -176.5 | 178.9 | -178.6 | 0 | 113.1 | R29 | R29-K72 PolarHBondContact NH1-O 3.08Š|
| 73 | N | 91.4 | Very high | 95.8 | Very high | 142 Ų | 142 | 58.1 Ų | 58.1 | 76% | 0.759 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 13.5 | 179.2 | -54.2 | -37 | 0 | 0 | 0 | 112.2 | D71 | D71-N73 PolarHBondContact O-N 2.82Å; D71-N73 VanDerWaalsContact O-N 3.15Å; D71-N73 WeakPolarHBondContact OD1-CA 3.38Å; D71-N73 VanDerWaalsContact OD1-CB 3.27Å; D71-N73 WeakPolarHBondContact OD1-CB 3.42Å; D71-N73 PolarHBondContact OD1-N 2.86Å |
| 74 | A | 94.3 | Very high | 95.8 | Very high | 25 Ų | 25 | 57.2 Ų | 57.2 | 21% | 0.207 | 33% | 0.328 | C | S | . | . | trans | -51.7 | 132 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L60 V70 D71 | L60-A74 HydrophobicContact CD1-CB 4.18Å; V70-A74 HydrophobicContact CG1-CB 3.7Å; D71-A74 WeakPolarHBondContact O-CB 3.41Å; D71-A74 PolarHBondContact O-N 3.05Å | ||
| 75 | P | 95.9 | Very high | 95.9 | Very high | 30 Ų | 30 | 55.7 Ų | 55.7 | 20% | 0.195 | 32% | 0.319 | C | S | . | . | trans | -63.4 | 139 | -178.4 | 25 | -33.3 | 0 | 0 | 0 | 110.7 | L116 P119 | P75-L116 HydrophobicContact CB-CB 3.94Å; P75-L116 HydrophobicContact CG-CB 3.7Å; P75-L116 VanDerWaalsContact CG-O 3.27Å; P75-L116 WeakPolarHBondContact CG-O 3.24Å; P75-P119 HydrophobicContact CB-CG 4.29Å | ||
| 76 | T | 96.3 | Very high | 96 | Very high | 27 Ų | 27 | 53.5 Ų | 53.5 | 17% | 0.166 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 164.8 | 177.9 | 55.2 | 0 | 0 | 0 | 0 | 110.6 | F59 L60 P119 L120 | F59-T76 WeakPolarHBondContact O-CB 3.33Å; L60-T76 HydrophobicContact CB-CG2 4.42Å; L60-T76 HydrophobicContact CD1-CG2 4.4Å; T76-P119 CarbonylContact O-C 3.53Å; T76-P119 WeakPolarHBondContact O-CA 3.26Å; T76-L120 PolarHBondContact O-N 2.76Å |
| 77 | V | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 124 | 162.7 | -174.2 | 0 | 0 | 0 | 0 | 107.7 | A58 F59 V61 W109 I111 L116 L120 | A58-V77 WeakPolarHBondContact CA-O 3.32Å; A58-V77 WeakPolarHBondContact CB-O 3.15Å; F59-V77 HydrophobicContact CD1-CB 3.99Å; F59-V77 HydrophobicContact CD1-CG1 4.31Å; F59-V77 HydrophobicContact CD2-CB 4.15Å; F59-V77 HydrophobicContact CD2-CG2 4.13Å; F59-V77 HydrophobicContact CE1-CB 3.57Å; F59-V77 HydrophobicContact CE1-CG1 3.49Å; F59-V77 VanDerWaalsContact CE1-CG1 3.49Å; F59-V77 HydrophobicContact CE1-CG2 4.26Å; F59-V77 HydrophobicContact CE2-CB 3.75Å; F59-V77 HydrophobicContact CE2-CG1 4.25Å; F59-V77 HydrophobicContact CE2-CG2 3.53Å; F59-V77 HydrophobicContact CG-CB 4.26Å; F59-V77 HydrophobicContact CZ-CB 3.45Å; F59-V77 VanDerWaalsContact CZ-CB 3.45Å; F59-V77 HydrophobicContact CZ-CG1 3.46Å; F59-V77 VanDerWaalsContact CZ-CG1 3.46Å; F59-V77 HydrophobicContact CZ-CG2 3.61Å; F59-V77 PolarHBondContact N-O 3.49Å; F59-V77 PolarHBondContact O-N 3.08Å; V61-V77 HydrophobicContact CG2-CG2 3.95Å; V77-W109 HydrophobicContact CG1-CD2 3.32Å; V77-W109 HydrophobicContact CG1-CE3 3.4Å; V77-W109 HydrophobicContact CG1-CG 3.93Å; V77-W109 HydrophobicContact CG1-CH2 3.85Å; V77-W109 HydrophobicContact CG1-CZ2 3.76Å; V77-W109 HydrophobicContact CG1-CZ3 3.66Å; V77-I111 HydrophobicContact CG2-CD1 4.06Å; V77-L116 HydrophobicContact CG2-CD1 3.84Å; V77-L120 CarbonylContact C-O 3.51Å; V77-L120 WeakPolarHBondContact CA-O 3.44Å; V77-L120 HydrophobicContact CG1-CB 4.48Å; V77-L120 HydrophobicContact CG1-CD2 4.42Å; V77-L120 HydrophobicContact CG2-CB 4.32Å; V77-L120 HydrophobicContact CG2-CD2 4.28Å |
| 78 | C | 92.6 | Very high | 96.2 | Very high | 35 Ų | 35 | 46.3 Ų | 46.3 | 24% | 0.236 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 63.4 | -167 | 56 | 0 | 0 | 0 | 0 | 114 | A58 P119 L120 | A58-C78 HydrophobicContact CB-CB 4.32Å; C78-P119 VanDerWaalsContact SG-CB 3.51Å; C78-L120 PolarHBondContact N-O 3.42Å |
| 79 | G | 93.4 | Very high | 96.3 | Very high | 24 Ų | 24 | 46.8 Ų | 46.8 | 25% | 0.247 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -14.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R121 | G79-R121 WeakPolarHBondContact CA-O 3.32Å |
| 80 | H | 97.8 | Very high | 96.3 | Very high | 10 Ų | 10 | 38.8 Ų | 38.8 | 5% | 0.046 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 141.3 | 176.9 | -81 | -63.5 | 0 | 0 | 0 | 112.3 | G57 V84 S99 S101 D103 T105 | G57-H80 PolarHBondContact N-O 2.83Å; H80-V84 HydrophobicContact CB-CG2 4.25Å; H80-S99 PolarHBondContact CD2-OG 2.81Å; H80-S99 PolarHBondContact NE2-O 3.44Å; H80-S99 PolarHBondContact NE2-OG 2.82Å; H80-S101 WeakPolarHBondContact CE1-CB 3.33Å; H80-S101 WeakPolarHBondContact ND1-CB 3.28Å; H80-S101 PolarHBondContact ND1-OG 3.26Å; H80-D103 WeakPolarHBondContact CA-OD2 3.48Å; H80-D103 VanDerWaalsContact CB-OD2 3.29Å; H80-D103 WeakPolarHBondContact CB-OD2 3.47Å; H80-D103 IonicContact CE1-OD1 3.29Å; H80-D103 IonicContact CE1-OD2 2.75Å; H80-D103 IonicContact CG-OD2 3.9Å; H80-D103 IonicContact ND1-OD1 3.6Å; H80-D103 PolarHBondContact ND1-OD1 3.23Å; H80-D103 IonicContact ND1-OD2 3.4Å; H80-D103 PolarHBondContact ND1-OD2 3.02Å; H80-T105 PolarHBondContact CE1-OG1 3.06Å; H80-T105 VanDerWaalsContact CE1-OG1 3.29Å; H80-T105 PolarHBondContact ND1-OG1 2.81Å |
| 81 | T | 97.1 | Very high | 96.3 | Very high | 114 Ų | 114 | 40.1 Ų | 40.1 | 70% | 0.699 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -92.8 | -3.7 | -178.1 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | D103 | T81-D103 PolarHBondContact N-OD2 3.04Å; T81-D103 VanDerWaalsContact OG1-CB 3.24Å; T81-D103 WeakPolarHBondContact OG1-CB 3.41Å |
| 82 | A | 97.1 | Very high | 96.4 | Very high | 20 Ų | 20 | 36 Ų | 36 | 17% | 0.165 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -146.4 | 169.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | G57 V84 S101 E102 D103 | G57-A82 WeakPolarHBondContact CA-O 3.25Å; G57-A82 PolarHBondContact N-O 3.12Å; G57-A82 VanDerWaalsContact N-O 3.09Å; A82-V84 PolarHBondContact O-N 2.86Å; A82-S101 PolarHBondContact O-OG 3.25Å; A82-E102 HydrophobicContact CB-CB 3.68Å; A82-D103 HydrophobicContact CB-CB 3.96Å |
| 83 | P | 97.6 | Very high | 96.8 | Very high | 44 Ų | 44 | 30.8 Ų | 30.8 | 29% | 0.286 | 19% | 0.191 | S | C | . | . | trans | -51.3 | 135.1 | -175.2 | -30.1 | 36 | 0 | 0 | 0 | 114.4 | S101 E102 | P83-S101 WeakPolarHBondContact O-CA 3.27Å; P83-S101 PolarHBondContact O-OG 3.48Å; P83-E102 HydrophobicContact CB-CG 4.33Å; P83-E102 WeakPolarHBondContact CD-OE2 3.26Å; P83-E102 PolarHBondContact O-N 2.88Å | ||
| 84 | V | 98.5 | Very high | 97 | Very high | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 132.7 | 170.6 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | I50 F59 H80 A82 I87 G100 | I50-V84 HydrophobicContact CD1-CG1 3.97Å; I50-V84 HydrophobicContact CG1-CG1 4.24Å; I50-V84 HydrophobicContact CG2-CB 4.06Å; I50-V84 WeakPolarHBondContact CG2-O 3.44Å; F59-V84 HydrophobicContact CD1-CG2 4.4Å; H80-V84 HydrophobicContact CB-CG2 4.25Å; A82-V84 PolarHBondContact O-N 2.86Å; V84-I87 HydrophobicContact CG1-CG2 3.77Å; V84-G100 WeakPolarHBondContact CG1-O 3.44Å |
| 85 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | -30.2 | -176.1 | -64.8 | -177.3 | 0 | 0 | 0 | 112.7 | T33 W35 S37 G100 E102 R133 | T33-L85 HydrophobicContact CG2-CD2 3.78Å; W35-L85 HydrophobicContact CB-CD2 4.18Å; W35-L85 VanDerWaalsContact CD1-O 3.31Å; W35-L85 HydrophobicContact CD2-CB 4.49Å; W35-L85 HydrophobicContact CD2-CD1 4.24Å; W35-L85 HydrophobicContact CD2-CD2 4.16Å; W35-L85 HydrophobicContact CE3-CD1 4.4Å; W35-L85 HydrophobicContact CE3-CD2 4.44Å; W35-L85 HydrophobicContact CG-CB 4.29Å; W35-L85 HydrophobicContact CG-CD2 4.03Å; W35-L85 HydrophobicContact CZ2-CD1 4.45Å; S37-L85 WeakPolarHBondContact CB-O 3.48Å; S37-L85 PolarHBondContact OG-O 3.14Å; L85-G100 PolarHBondContact N-O 3.27Å; L85-E102 HydrophobicContact CD1-CG 3.79Å; L85-E102 HydrophobicContact CD2-CG 3.88Å; L85-E102 HydrophobicContact CG-CG 3.89Å; L85-R133 HydrophobicContact CD1-CB 3.84Å; L85-R133 HydrophobicContact CD1-CG 4.09Å |
| 86 | D | 98.8 | Very high | 97.3 | Very high | 25 Ų | 25 | 22.5 Ų | 22.5 | 13% | 0.134 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 150.6 | -179.8 | -161.6 | 22.8 | 0 | 0 | 0 | 111.7 | S99 G100 I136 V137 | D86-S99 WeakPolarHBondContact O-CA 3.3Å; D86-G100 PolarHBondContact N-O 3.46Å; D86-G100 PolarHBondContact O-N 2.98Å; D86-I136 WeakPolarHBondContact OD2-CA 3.47Å; D86-V137 HydrophobicContact CB-CG2 4.06Å; D86-V137 PolarHBondContact OD2-N 3.12Å |
| 87 | I | 98.9 | Very high | 97.4 | Very high | 8 Ų | 8 | 21.2 Ų | 21.2 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 138.1 | 179.7 | 52.4 | 170.8 | 0 | 0 | 0 | 110.4 | A41 A48 I50 F59 V84 I97 A98 | A41-I87 HydrophobicContact CB-CD1 4.02Å; A41-I87 HydrophobicContact CB-CG1 3.9Å; A41-I87 WeakPolarHBondContact CB-O 3.46Å; A48-I87 HydrophobicContact CB-CD1 3.84Å; I50-I87 HydrophobicContact CD1-CG1 4.2Å; I50-I87 HydrophobicContact CD1-CG2 4.34Å; I50-I87 HydrophobicContact CG1-CD1 3.85Å; I50-I87 HydrophobicContact CG1-CG1 3.94Å; I50-I87 HydrophobicContact CG1-CG2 4.13Å; F59-I87 HydrophobicContact CD1-CG2 4.2Å; F59-I87 HydrophobicContact CE1-CG2 4.5Å; F59-I87 HydrophobicContact CG-CG2 4.22Å; V84-I87 HydrophobicContact CG1-CG2 3.77Å; I87-I97 HydrophobicContact CB-CD1 4.15Å; I87-A98 CarbonylContact C-O 3.45Å; I87-A98 VanDerWaalsContact CA-O 3.27Å; I87-A98 WeakPolarHBondContact CA-O 3.37Å |
| 88 | A | 98.8 | Very high | 97.5 | Very high | 18 Ų | 18 | 21.1 Ų | 21.1 | 15% | 0.149 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 127.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I97 A98 V137 W139 | A88-I97 WeakPolarHBondContact O-CG1 3.41Å; A88-A98 PolarHBondContact N-O 3.22Å; A88-A98 PolarHBondContact O-N 2.96Å; A88-V137 HydrophobicContact CB-CG2 3.99Å; A88-W139 PolarHBondContact O-NE1 3.43Å |
| 89 | W | 98.8 | Very high | 97.7 | Very high | 26 Ų | 26 | 19.5 Ų | 19.5 | 10% | 0.098 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 141.7 | 172.9 | -69.5 | 105 | 0 | 0 | 0 | 110.9 | A41 V42 N43 F46 A48 V61 I97 I111 | A41-W89 VanDerWaalsContact C-CD1 3.5Å; A41-W89 VanDerWaalsContact C-NE1 3.28Å; A41-W89 PolarHBondContact O-NE1 3.16Å; V42-W89 VanDerWaalsContact C-CD1 3.48Å; N43-W89 HydrophobicContact CB-CB 4.17Å; N43-W89 HydrophobicContact CB-CD2 4.24Å; N43-W89 HydrophobicContact CB-CG 3.87Å; N43-W89 VanDerWaalsContact ND2-CD2 3.28Å; F46-W89 HydrophobicContact CB-CH2 3.61Å; F46-W89 HydrophobicContact CB-CZ2 3.44Å; F46-W89 VanDerWaalsContact CB-CZ2 3.44Å; F46-W89 AromaticContact CD2-CH2 3.63Å; F46-W89 HydrophobicContact CD2-CH2 3.63Å; F46-W89 HydrophobicContact CD2-CZ2 4.29Å; F46-W89 AromaticContact CD2-CZ3 3.95Å; F46-W89 HydrophobicContact CD2-CZ3 3.95Å; F46-W89 AromaticContact CG-CH2 3.85Å; F46-W89 HydrophobicContact CG-CH2 3.85Å; F46-W89 HydrophobicContact CG-CZ2 4.21Å; A48-W89 HydrophobicContact CB-CZ2 3.79Å; V61-W89 HydrophobicContact CG1-CH2 3.82Å; V61-W89 HydrophobicContact CG1-CZ2 4.02Å; W89-I97 HydrophobicContact CD2-CB 4.02Å; W89-I97 HydrophobicContact CD2-CD1 4.02Å; W89-I97 HydrophobicContact CD2-CG1 4.11Å; W89-I97 HydrophobicContact CE3-CB 3.64Å; W89-I97 HydrophobicContact CE3-CD1 4.44Å; W89-I97 HydrophobicContact CE3-CG1 4.25Å; W89-I97 HydrophobicContact CG-CG1 4.47Å; W89-I97 HydrophobicContact CH2-CB 4.25Å; W89-I97 HydrophobicContact CH2-CD1 4.34Å; W89-I97 HydrophobicContact CH2-CG2 4.43Å; W89-I97 HydrophobicContact CZ2-CD1 3.92Å; W89-I97 HydrophobicContact CZ3-CB 3.76Å; W89-I97 HydrophobicContact CZ3-CG2 4.2Å; W89-I111 HydrophobicContact CH2-CG1 3.9Å; W89-I111 HydrophobicContact CZ3-CG1 4Å |
| 90 | C | 98.3 | Very high | 98 | Very high | 8 Ų | 8 | 18.3 Ų | 18.3 | 5% | 0.054 | 11% | 0.11 | C | C | . | . | trans | -64.5 | 128 | 170.9 | -179 | 0 | 0 | 0 | 0 | 109.4 | H92 N93 V96 W139 | C90-H92 PolarHBondContact O-N 3.38Å; C90-N93 HydrophobicContact CB-CB 4.48Å; C90-N93 PolarHBondContact O-N 3.19Å; C90-V96 HydrophobicContact CB-CB 3.83Å; C90-V96 HydrophobicContact CB-CG1 3.95Å; C90-V96 WeakPolarHBondContact CB-O 3.39Å; C90-V96 PolarHBondContact N-O 2.95Å; C90-W139 HydrophobicContact CB-CD2 4.06Å; C90-W139 HydrophobicContact CB-CE3 4.38Å; C90-W139 HydrophobicContact CB-CH2 4.32Å; C90-W139 HydrophobicContact CB-CZ2 3.99Å | ||
| 91 | P | 97 | Very high | 98 | Very high | 42 Ų | 42 | 17.9 Ų | 17.9 | 27% | 0.273 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -21.9 | 179.5 | 26 | -33.3 | 0 | 0 | 0 | 112.2 | W139 | P91-W139 HydrophobicContact CG-CB 4.06Š|
| 92 | H | 96.6 | Very high | 98.1 | Very high | 22 Ų | 22 | 15 Ų | 15 | 10% | 0.102 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -6.1 | -174.9 | -44.2 | 118.8 | 0 | 0 | 0 | 114.9 | C90 H140 P141 P370 | C90-H92 PolarHBondContact O-N 3.38Å; H92-H140 PolarHBondContact CE1-O 3.47Å; H92-P141 PolarHBondContact NE2-O 3.04Å; H92-P370 WeakPolarHBondContact CA-O 3.36Å; H92-P370 WeakPolarHBondContact CB-O 3.5Å; H92-P370 PolarHBondContact CD2-O 3.11Å |
| 93 | N | 96.6 | Very high | 98.1 | Very high | 24 Ų | 24 | 15.5 Ų | 15.5 | 13% | 0.128 | 9% | 0.086 | C | C | . | . | trans | -148.8 | 111.6 | 176.2 | -172.9 | -23.4 | 0 | 0 | 0 | 110.6 | C90 N95 V96 R402 | C90-N93 HydrophobicContact CB-CB 4.48Å; C90-N93 PolarHBondContact O-N 3.19Å; N93-N95 PolarHBondContact O-N 3.43Å; N93-N95 VanDerWaalsContact O-N 3.09Å; N93-N95 WeakPolarHBondContact OD1-CB 3.37Å; N93-N95 PolarHBondContact OD1-N 2.62Å; N93-V96 HydrophobicContact CB-CB 4.18Å; N93-V96 HydrophobicContact CB-CG2 4Å; N93-V96 PolarHBondContact O-N 3.4Å; N93-V96 VanDerWaalsContact O-N 3.09Å; N93-R402 PolarHBondContact ND2-O 3.25Å | ||
| 94 | D | 97.2 | Very high | 98.2 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -4.6 | -176.8 | -68.7 | -22.1 | 0 | 0 | 0 | 113.7 | N43 K45 F46 R325 Y396 P399 | N43-D94 VanDerWaalsContact ND2-C 3.34Å; N43-D94 VanDerWaalsContact ND2-CA 3.32Å; N43-D94 WeakPolarHBondContact ND2-CA 3.26Å; N43-D94 PolarHBondContact ND2-O 3.05Å; K45-D94 HydrophobicContact CD-CB 3.93Å; K45-D94 HydrophobicContact CG-CB 4.08Å; F46-D94 VanDerWaalsContact CD2-O 3.3Å; F46-D94 WeakPolarHBondContact CD2-O 3.49Å; F46-D94 WeakPolarHBondContact CE2-O 3.45Å; D94-R325 IonicContact OD1-CZ 2.69Å; D94-R325 IonicContact OD1-NH1 2.72Å; D94-R325 PolarHBondContact OD1-NH1 3.45Å; D94-R325 VanDerWaalsContact OD1-NH1 3.13Å; D94-R325 IonicContact OD1-NH2 3.73Å; D94-R325 PolarHBondContact OD1-NH2 3.29Å; D94-R325 IonicContact OD2-CZ 3.11Å; D94-R325 IonicContact OD2-NH1 3.2Å; D94-R325 PolarHBondContact OD2-NH1 3.06Å; D94-R325 IonicContact OD2-NH2 2.99Å; D94-Y396 WeakPolarHBondContact OD2-CE2 3.38Å; D94-Y396 PolarHBondContact OD2-OH 3.43Å; D94-P399 HydrophobicContact CB-CG 4.32Å; D94-P399 WeakPolarHBondContact OD2-CD 3.19Å |
| 95 | N | 97.4 | Very high | 98.2 | Very high | 19 Ų | 19 | 15.8 Ų | 15.8 | 10% | 0.102 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -4.9 | 175.1 | -67.1 | 80.6 | 0 | 0 | 0 | 112.4 | K45 N93 E110 I111 D113 | K45-N95 PolarHBondContact NZ-OD1 3.39Å; N93-N95 PolarHBondContact O-N 3.43Å; N93-N95 VanDerWaalsContact O-N 3.09Å; N93-N95 WeakPolarHBondContact OD1-CB 3.37Å; N93-N95 PolarHBondContact OD1-N 2.62Å; N95-E110 CarbonylContact O-C 3.13Å; N95-E110 WeakPolarHBondContact O-CA 3.4Å; N95-I111 WeakPolarHBondContact CB-O 3.3Å; N95-I111 PolarHBondContact ND2-O 3.02Å; N95-I111 PolarHBondContact O-N 2.89Å; N95-D113 PolarHBondContact ND2-OD1 3.29Å |
| 96 | V | 98.3 | Very high | 98.2 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.012 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.1 | -176.5 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | C90 N93 V108 W109 W139 L404 | C90-V96 HydrophobicContact CB-CB 3.83Å; C90-V96 HydrophobicContact CB-CG1 3.95Å; C90-V96 WeakPolarHBondContact CB-O 3.39Å; C90-V96 PolarHBondContact N-O 2.95Å; N93-V96 HydrophobicContact CB-CB 4.18Å; N93-V96 HydrophobicContact CB-CG2 4Å; N93-V96 PolarHBondContact O-N 3.4Å; N93-V96 VanDerWaalsContact O-N 3.09Å; V96-V108 HydrophobicContact CG1-CG1 3.61Å; V96-W109 VanDerWaalsContact CA-O 3.3Å; V96-W109 WeakPolarHBondContact CA-O 3.2Å; V96-W139 HydrophobicContact CG1-CH2 3.99Å; V96-W139 HydrophobicContact CG1-CZ2 3.87Å; V96-L404 HydrophobicContact CG1-CD2 4.12Å; V96-L404 HydrophobicContact CG2-CB 4.21Å; V96-L404 HydrophobicContact CG2-CD2 4.44Å |
| 97 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 141.9 | 176.7 | -168.6 | 173.2 | 0 | 0 | 0 | 110.4 | A48 F59 I87 A88 W89 W109 I111 | A48-I97 HydrophobicContact CB-CD1 3.6Å; F59-I97 HydrophobicContact CE2-CD1 3.97Å; F59-I97 HydrophobicContact CE2-CG2 4Å; F59-I97 HydrophobicContact CZ-CG2 3.99Å; I87-I97 HydrophobicContact CB-CD1 4.15Å; A88-I97 WeakPolarHBondContact O-CG1 3.41Å; W89-I97 HydrophobicContact CD2-CB 4.02Å; W89-I97 HydrophobicContact CD2-CD1 4.02Å; W89-I97 HydrophobicContact CD2-CG1 4.11Å; W89-I97 HydrophobicContact CE3-CB 3.64Å; W89-I97 HydrophobicContact CE3-CD1 4.44Å; W89-I97 HydrophobicContact CE3-CG1 4.25Å; W89-I97 HydrophobicContact CG-CG1 4.47Å; W89-I97 HydrophobicContact CH2-CB 4.25Å; W89-I97 HydrophobicContact CH2-CD1 4.34Å; W89-I97 HydrophobicContact CH2-CG2 4.43Å; W89-I97 HydrophobicContact CZ2-CD1 3.92Å; W89-I97 HydrophobicContact CZ3-CB 3.76Å; W89-I97 HydrophobicContact CZ3-CG2 4.2Å; I97-W109 HydrophobicContact CG2-CB 3.89Å; I97-W109 HydrophobicContact CG2-CG 4.33Å; I97-W109 PolarHBondContact N-O 2.85Å; I97-W109 PolarHBondContact O-N 3.38Å; I97-I111 HydrophobicContact CG2-CD1 4.21Å; I97-I111 HydrophobicContact CG2-CG1 4.13Å |
| 98 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 148.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I87 A88 M107 V108 W139 L147 | I87-A98 CarbonylContact C-O 3.45Å; I87-A98 VanDerWaalsContact CA-O 3.27Å; I87-A98 WeakPolarHBondContact CA-O 3.37Å; A88-A98 PolarHBondContact N-O 3.22Å; A88-A98 PolarHBondContact O-N 2.96Å; A98-M107 CarbonylContact C-O 3.59Å; A98-M107 WeakPolarHBondContact CA-O 3.46Å; A98-V108 HydrophobicContact CB-CG2 4.43Å; A98-W139 HydrophobicContact CB-CZ2 3.87Å; A98-L147 HydrophobicContact CB-CD1 4.17Å; A98-L147 HydrophobicContact CB-CD2 3.8Å |
| 99 | S | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 133.7 | 174.2 | 58.2 | 0 | 0 | 0 | 0 | 111.8 | H80 D86 V106 M107 W109 | H80-S99 PolarHBondContact CD2-OG 2.81Å; H80-S99 PolarHBondContact NE2-O 3.44Å; H80-S99 PolarHBondContact NE2-OG 2.82Å; D86-S99 WeakPolarHBondContact O-CA 3.3Å; S99-V106 CarbonylContact O-C 3.57Å; S99-V106 VanDerWaalsContact O-CA 3.28Å; S99-V106 WeakPolarHBondContact O-CA 3.2Å; S99-M107 PolarHBondContact N-O 2.87Å; S99-M107 PolarHBondContact O-N 2.98Å; S99-M107 PolarHBondContact OG-O 2.86Å; S99-W109 PolarHBondContact OG-NE1 3.09Å |
| 100 | G | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 141.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V84 L85 D86 V134 | V84-G100 WeakPolarHBondContact CG1-O 3.44Å; L85-G100 PolarHBondContact N-O 3.27Å; D86-G100 PolarHBondContact N-O 3.46Å; D86-G100 PolarHBondContact O-N 2.98Å; G100-V134 CarbonylContact C-O 3.46Å |
| 101 | S | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 161.1 | -168.7 | 172.4 | 0 | 0 | 0 | 0 | 114.2 | H80 A82 P83 D103 C104 T105 V134 | H80-S101 WeakPolarHBondContact CE1-CB 3.33Å; H80-S101 WeakPolarHBondContact ND1-CB 3.28Å; H80-S101 PolarHBondContact ND1-OG 3.26Å; A82-S101 PolarHBondContact O-OG 3.25Å; P83-S101 WeakPolarHBondContact O-CA 3.27Å; P83-S101 PolarHBondContact O-OG 3.48Å; S101-D103 VanDerWaalsContact CB-OD1 3.25Å; S101-D103 WeakPolarHBondContact CB-OD1 3.3Å; S101-D103 PolarHBondContact O-N 2.89Å; S101-D103 PolarHBondContact OG-N 3.41Å; S101-D103 VanDerWaalsContact OG-N 3.15Å; S101-D103 PolarHBondContact OG-OD1 3Å; S101-D103 PolarHBondContact OG-OD2 2.96Å; S101-C104 PolarHBondContact O-N 3Å; S101-T105 PolarHBondContact N-O 2.89Å; S101-V134 PolarHBondContact N-O 2.97Å; S101-V134 VanDerWaalsContact N-O 3.16Å; S101-V134 PolarHBondContact O-N 3.31Å |
| 102 | E | 98 | Very high | 98 | Very high | 55 Ų | 55 | 17.4 Ų | 17.4 | 26% | 0.257 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -17.4 | 167.9 | -72.9 | -166.2 | 166.6 | 0 | 0 | 114 | A82 P83 L85 C104 R133 | A82-E102 HydrophobicContact CB-CB 3.68Å; P83-E102 HydrophobicContact CB-CG 4.33Å; P83-E102 WeakPolarHBondContact CD-OE2 3.26Å; P83-E102 PolarHBondContact O-N 2.88Å; L85-E102 HydrophobicContact CD1-CG 3.79Å; L85-E102 HydrophobicContact CD2-CG 3.88Å; L85-E102 HydrophobicContact CG-CG 3.89Å; E102-C104 PolarHBondContact O-N 2.73Å; E102-R133 HydrophobicContact CB-CB 4.32Å; E102-R133 HydrophobicContact CG-CB 4.16Å; E102-R133 IonicContact OE1-CZ 2.65Å; E102-R133 VanDerWaalsContact OE1-CZ 3.29Å; E102-R133 IonicContact OE1-NH1 3.82Å; E102-R133 PolarHBondContact OE1-NH1 3.28Å; E102-R133 IonicContact OE1-NH2 3.48Å; E102-R133 PolarHBondContact OE1-NH2 3.29Å |
| 103 | D | 98 | Very high | 97.8 | Very high | 29 Ų | 29 | 21.7 Ų | 21.7 | 16% | 0.155 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 6.8 | 175.6 | 63.2 | 30.1 | 0 | 0 | 0 | 113.8 | H80 T81 A82 S101 T105 | H80-D103 WeakPolarHBondContact CA-OD2 3.48Å; H80-D103 VanDerWaalsContact CB-OD2 3.29Å; H80-D103 WeakPolarHBondContact CB-OD2 3.47Å; H80-D103 IonicContact CE1-OD1 3.29Å; H80-D103 IonicContact CE1-OD2 2.75Å; H80-D103 IonicContact CG-OD2 3.9Å; H80-D103 IonicContact ND1-OD1 3.6Å; H80-D103 PolarHBondContact ND1-OD1 3.23Å; H80-D103 IonicContact ND1-OD2 3.4Å; H80-D103 PolarHBondContact ND1-OD2 3.02Å; T81-D103 PolarHBondContact N-OD2 3.04Å; T81-D103 VanDerWaalsContact OG1-CB 3.24Å; T81-D103 WeakPolarHBondContact OG1-CB 3.41Å; A82-D103 HydrophobicContact CB-CB 3.96Å; S101-D103 VanDerWaalsContact CB-OD1 3.25Å; S101-D103 WeakPolarHBondContact CB-OD1 3.3Å; S101-D103 PolarHBondContact O-N 2.89Å; S101-D103 PolarHBondContact OG-N 3.41Å; S101-D103 VanDerWaalsContact OG-N 3.15Å; S101-D103 PolarHBondContact OG-OD1 3Å; S101-D103 PolarHBondContact OG-OD2 2.96Å; D103-T105 PolarHBondContact O-N 2.96Å; D103-T105 WeakPolarHBondContact OD1-CB 3.28Å; D103-T105 PolarHBondContact OD1-N 3.18Å; D103-T105 PolarHBondContact OD1-OG1 2.76Å |
| 104 | C | 98.6 | Very high | 97.5 | Very high | 33 Ų | 33 | 22.9 Ų | 22.9 | 22% | 0.223 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 70.8 | 7.5 | 178.6 | -44.2 | 0 | 0 | 0 | 0 | 114.6 | S101 E102 H130 K132 | S101-C104 PolarHBondContact O-N 3Å; E102-C104 PolarHBondContact O-N 2.73Å; C104-H130 WeakPolarHBondContact CB-O 3.44Å; C104-K132 WeakPolarHBondContact SG-CA 3.29Å |
| 105 | T | 98.6 | Very high | 97.4 | Very high | 20 Ų | 20 | 23 Ų | 23 | 12% | 0.123 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 156.1 | 177.8 | 71.8 | 0 | 0 | 0 | 0 | 112 | H80 S101 D103 T126 E128 | H80-T105 PolarHBondContact CE1-OG1 3.06Å; H80-T105 VanDerWaalsContact CE1-OG1 3.29Å; H80-T105 PolarHBondContact ND1-OG1 2.81Å; S101-T105 PolarHBondContact N-O 2.89Å; D103-T105 PolarHBondContact O-N 2.96Å; D103-T105 WeakPolarHBondContact OD1-CB 3.28Å; D103-T105 PolarHBondContact OD1-N 3.18Å; D103-T105 PolarHBondContact OD1-OG1 2.76Å; T105-T126 HydrophobicContact CG2-CG2 4.14Å; T105-E128 HydrophobicContact CG2-CG 4.3Å |
| 106 | V | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129.5 | 160.4 | 178.2 | 0 | 0 | 0 | 0 | 108.1 | S99 L127 V134 V137 L147 | S99-V106 CarbonylContact O-C 3.57Å; S99-V106 VanDerWaalsContact O-CA 3.28Å; S99-V106 WeakPolarHBondContact O-CA 3.2Å; V106-L127 HydrophobicContact CB-CB 4.16Å; V106-L127 HydrophobicContact CB-CD1 4.23Å; V106-L127 HydrophobicContact CG1-CD1 4.05Å; V106-L127 PolarHBondContact N-O 3.22Å; V106-L127 VanDerWaalsContact N-O 3.12Å; V106-L127 PolarHBondContact O-N 3.4Å; V106-V134 HydrophobicContact CG2-CB 4.23Å; V106-V134 HydrophobicContact CG2-CG1 3.62Å; V106-V134 HydrophobicContact CG2-CG2 4.31Å; V106-V137 HydrophobicContact CG1-CG1 4.03Å; V106-V137 HydrophobicContact CG2-CG1 4.03Å; V106-L147 HydrophobicContact CG1-CD2 3.86Å |
| 107 | M | 98.8 | Very high | 97.2 | Very high | 18 Ų | 18 | 29.2 Ų | 29.2 | 9% | 0.089 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 140.3 | 176.6 | -69.8 | -178.6 | -179.6 | 0 | 0 | 110.3 | A98 S99 W109 P123 T126 | A98-M107 CarbonylContact C-O 3.59Å; A98-M107 WeakPolarHBondContact CA-O 3.46Å; S99-M107 PolarHBondContact N-O 2.87Å; S99-M107 PolarHBondContact O-N 2.98Å; S99-M107 PolarHBondContact OG-O 2.86Å; M107-W109 HydrophobicContact CB-CH2 4.26Å; M107-W109 HydrophobicContact CB-CZ2 3.41Å; M107-W109 VanDerWaalsContact CB-CZ2 3.41Å; M107-W109 HydrophobicContact CG-CZ2 4Å; M107-W109 PolarHBondContact O-NE1 2.86Å; M107-W109 HydrophobicContact SD-CH2 3.53Å; M107-W109 VanDerWaalsContact SD-CH2 3.53Å; M107-W109 HydrophobicContact SD-CZ2 3.38Å; M107-W109 WeakPolarHBondContact SD-CZ2 3.21Å; M107-P123 HydrophobicContact CB-CB 3.94Å; M107-P123 HydrophobicContact CB-CG 4.35Å; M107-P123 HydrophobicContact CG-CB 4.24Å; M107-P123 HydrophobicContact CG-CG 4.09Å; M107-P123 HydrophobicContact SD-CB 4.44Å; M107-P123 HydrophobicContact SD-CG 4.03Å; M107-T126 HydrophobicContact CE-CG2 4.06Å; M107-T126 HydrophobicContact CG-CG2 4.12Å |
| 108 | V | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.2 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | V96 A98 P123 V124 V125 L127 W139 L147 V161 L404 | V96-V108 HydrophobicContact CG1-CG1 3.61Å; A98-V108 HydrophobicContact CB-CG2 4.43Å; V108-P123 CarbonylContact O-C 3.52Å; V108-P123 WeakPolarHBondContact O-CB 3.33Å; V108-V124 PolarHBondContact O-N 2.88Å; V108-V125 HydrophobicContact CB-CG1 3.7Å; V108-V125 HydrophobicContact CG2-CG1 3.81Å; V108-V125 PolarHBondContact N-O 2.75Å; V108-L127 HydrophobicContact CG2-CD1 4.33Å; V108-W139 HydrophobicContact CG1-CH2 4.1Å; V108-W139 HydrophobicContact CG1-CZ2 4.18Å; V108-L147 HydrophobicContact CG2-CD2 4.16Å; V108-V161 HydrophobicContact CG2-CG1 4.04Å; V108-L404 HydrophobicContact CG1-CD2 3.67Å |
| 109 | W | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 143.3 | -170.5 | -46.2 | 88 | 0 | 0 | 0 | 110.5 | F59 V77 V96 I97 S99 M107 I111 L120 P123 | F59-W109 AromaticContact CE1-NE1 3.74Å; F59-W109 AromaticContact CZ-CD1 3.69Å; F59-W109 HydrophobicContact CZ-CG 4.17Å; F59-W109 AromaticContact CZ-NE1 3.83Å; V77-W109 HydrophobicContact CG1-CD2 3.32Å; V77-W109 HydrophobicContact CG1-CE3 3.4Å; V77-W109 HydrophobicContact CG1-CG 3.93Å; V77-W109 HydrophobicContact CG1-CH2 3.85Å; V77-W109 HydrophobicContact CG1-CZ2 3.76Å; V77-W109 HydrophobicContact CG1-CZ3 3.66Å; V96-W109 VanDerWaalsContact CA-O 3.3Å; V96-W109 WeakPolarHBondContact CA-O 3.2Å; I97-W109 HydrophobicContact CG2-CB 3.89Å; I97-W109 HydrophobicContact CG2-CG 4.33Å; I97-W109 PolarHBondContact N-O 2.85Å; I97-W109 PolarHBondContact O-N 3.38Å; S99-W109 PolarHBondContact OG-NE1 3.09Å; M107-W109 HydrophobicContact CB-CH2 4.26Å; M107-W109 HydrophobicContact CB-CZ2 3.41Å; M107-W109 VanDerWaalsContact CB-CZ2 3.41Å; M107-W109 HydrophobicContact CG-CZ2 4Å; M107-W109 PolarHBondContact O-NE1 2.86Å; M107-W109 HydrophobicContact SD-CH2 3.53Å; M107-W109 VanDerWaalsContact SD-CH2 3.53Å; M107-W109 HydrophobicContact SD-CZ2 3.38Å; M107-W109 WeakPolarHBondContact SD-CZ2 3.21Å; W109-I111 HydrophobicContact CB-CD1 4.31Å; W109-L120 HydrophobicContact CB-CD2 4.18Å; W109-L120 HydrophobicContact CE3-CD2 3.94Å; W109-L120 HydrophobicContact CE3-CG 4.02Å; W109-L120 HydrophobicContact CZ3-CG 4.44Å; W109-P123 HydrophobicContact CD2-CB 4.1Å; W109-P123 HydrophobicContact CE3-CB 3.8Å; W109-P123 HydrophobicContact CH2-CB 3.96Å; W109-P123 HydrophobicContact CH2-CG 4.31Å; W109-P123 HydrophobicContact CZ2-CB 4.28Å; W109-P123 HydrophobicContact CZ3-CB 3.72Å; W109-P123 HydrophobicContact CZ3-CG 4.3Å |
| 110 | E | 97.3 | Very high | 96.9 | Very high | 69 Ų | 69 | 39.9 Ų | 39.9 | 32% | 0.322 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.3 | 168.3 | -175.1 | 166 | -151.9 | 0 | 0 | 109 | N95 V124 | N95-E110 CarbonylContact O-C 3.13Å; N95-E110 WeakPolarHBondContact O-CA 3.4Å; E110-V124 HydrophobicContact CB-CG2 3.69Å |
| 111 | I | 97.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -97.6 | 122.9 | -176.1 | -54.4 | -55.5 | 0 | 0 | 0 | 108.5 | F46 V61 V77 W89 N95 I97 W109 L116 L120 | F46-I111 HydrophobicContact CD1-CG2 4.37Å; F46-I111 HydrophobicContact CE1-CG2 4Å; F46-I111 HydrophobicContact CE2-CB 4.42Å; F46-I111 HydrophobicContact CE2-CG2 4.19Å; F46-I111 HydrophobicContact CZ-CG2 3.9Å; V61-I111 HydrophobicContact CG1-CG1 4.35Å; V61-I111 HydrophobicContact CG1-CG2 3.91Å; V61-I111 HydrophobicContact CG2-CD1 4.22Å; V77-I111 HydrophobicContact CG2-CD1 4.06Å; W89-I111 HydrophobicContact CH2-CG1 3.9Å; W89-I111 HydrophobicContact CZ3-CG1 4Å; N95-I111 WeakPolarHBondContact CB-O 3.3Å; N95-I111 PolarHBondContact ND2-O 3.02Å; N95-I111 PolarHBondContact O-N 2.89Å; I97-I111 HydrophobicContact CG2-CD1 4.21Å; I97-I111 HydrophobicContact CG2-CG1 4.13Å; W109-I111 HydrophobicContact CB-CD1 4.31Å; I111-L116 HydrophobicContact CD1-CD2 4.41Å; I111-L120 HydrophobicContact CD1-CD2 3.96Å |
| 112 | P | 95.6 | Very high | 96.7 | Very high | 71 Ų | 71 | 54.2 Ų | 54.2 | 46% | 0.461 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 145.2 | 175.3 | -24.1 | 33.8 | 0 | 0 | 0 | 112.3 | G114 G115 | P112-G114 PolarHBondContact O-N 3.09Å; P112-G115 WeakPolarHBondContact O-CA 3.48Å; P112-G115 PolarHBondContact O-N 3Å |
| 113 | D | 91.8 | Very high | 96.6 | Very high | 112 Ų | 112 | 52.9 Ų | 52.9 | 60% | 0.599 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 138.3 | 167.7 | -75.9 | -38.5 | 0 | 0 | 0 | 110.3 | K45 N95 G115 | K45-D113 IonicContact NZ-OD1 3.31Å; K45-D113 PolarHBondContact NZ-OD1 3.35Å; K45-D113 IonicContact NZ-OD2 2.89Å; N95-D113 PolarHBondContact ND2-OD1 3.29Å; D113-G115 VanDerWaalsContact C-N 3.27Å; D113-G115 PolarHBondContact O-N 2.83Å |
| 114 | G | 91.6 | Very high | 96.6 | Very high | 49 Ų | 49 | 53.6 Ų | 53.6 | 51% | 0.505 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -3.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | P63 K66 P112 | P63-G114 VanDerWaalsContact CG-C 3.5Å; P63-G114 WeakPolarHBondContact CG-O 3.48Å; K66-G114 PolarHBondContact NZ-O 3.47Å; K66-G114 VanDerWaalsContact NZ-O 3.15Å; P112-G114 PolarHBondContact O-N 3.09Å |
| 115 | G | 95 | Very high | 96.5 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | trans | 85.9 | -172.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P112 D113 | P112-G115 WeakPolarHBondContact O-CA 3.48Å; P112-G115 PolarHBondContact O-N 3Å; D113-G115 VanDerWaalsContact C-N 3.27Å; D113-G115 PolarHBondContact O-N 2.83Å | ||
| 116 | L | 96.6 | Very high | 96.5 | Very high | 19 Ų | 19 | 53.1 Ų | 53.1 | 10% | 0.099 | 29% | 0.292 | C | S | . | . | trans | -73.7 | 134.7 | -176.2 | -58.7 | -178.6 | 0 | 0 | 0 | 112 | P75 V77 I111 L120 | P75-L116 HydrophobicContact CB-CB 3.94Å; P75-L116 HydrophobicContact CG-CB 3.7Å; P75-L116 VanDerWaalsContact CG-O 3.27Å; P75-L116 WeakPolarHBondContact CG-O 3.24Å; V77-L116 HydrophobicContact CG2-CD1 3.84Å; I111-L116 HydrophobicContact CD1-CD2 4.41Å; L116-L120 HydrophobicContact CD1-CB 4.49Å; L116-L120 HydrophobicContact CD2-CB 3.99Å; L116-L120 HydrophobicContact CD2-CD2 4.35Å | ||
| 117 | V | 94.8 | Very high | 96.5 | Very high | 134 Ų | 134 | 53.1 Ų | 53.1 | 81% | 0.812 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -101.6 | -35 | 169.5 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 118 | L | 96.3 | Very high | 96.4 | Very high | 135 Ų | 135 | 59.3 Ų | 59.3 | 71% | 0.707 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -127.6 | 158.2 | 175.1 | -64.8 | 174.8 | 0 | 0 | 0 | 109.2 | L120 | L118-L120 PolarHBondContact O-N 2.79Š|
| 119 | P | 96.3 | Very high | 96.4 | Very high | 48 Ų | 48 | 61.1 Ų | 61.1 | 31% | 0.312 | 34% | 0.339 | S | S | . | . | trans | -60.5 | 129.7 | 176.1 | -19.3 | 30.2 | 0 | 0 | 0 | 111.2 | P75 T76 C78 | P75-P119 HydrophobicContact CB-CG 4.29Å; T76-P119 CarbonylContact O-C 3.53Å; T76-P119 WeakPolarHBondContact O-CA 3.26Å; C78-P119 VanDerWaalsContact SG-CB 3.51Å | ||
| 120 | L | 97.4 | Very high | 96.4 | Very high | 40 Ų | 40 | 61.7 Ų | 61.7 | 21% | 0.209 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -89.1 | 112.4 | -178.5 | -178.6 | 64.6 | 0 | 0 | 0 | 109.4 | T76 V77 C78 W109 I111 L116 L118 | T76-L120 PolarHBondContact O-N 2.76Å; V77-L120 CarbonylContact C-O 3.51Å; V77-L120 WeakPolarHBondContact CA-O 3.44Å; V77-L120 HydrophobicContact CG1-CB 4.48Å; V77-L120 HydrophobicContact CG1-CD2 4.42Å; V77-L120 HydrophobicContact CG2-CB 4.32Å; V77-L120 HydrophobicContact CG2-CD2 4.28Å; C78-L120 PolarHBondContact N-O 3.42Å; W109-L120 HydrophobicContact CB-CD2 4.18Å; W109-L120 HydrophobicContact CE3-CD2 3.94Å; W109-L120 HydrophobicContact CE3-CG 4.02Å; W109-L120 HydrophobicContact CZ3-CG 4.44Å; I111-L120 HydrophobicContact CD1-CD2 3.96Å; L116-L120 HydrophobicContact CD1-CB 4.49Å; L116-L120 HydrophobicContact CD2-CB 3.99Å; L116-L120 HydrophobicContact CD2-CD2 4.35Å; L118-L120 PolarHBondContact O-N 2.79Å |
| 121 | R | 96.3 | Very high | 96.4 | Very high | 145 Ų | 145 | 63.7 Ų | 63.7 | 55% | 0.547 | 36% | 0.359 | S | S | . | . | trans | -107.4 | -32.5 | -174.4 | -66 | -173.6 | 172.8 | 79.7 | -0.4 | 114 | G79 P123 | G79-R121 WeakPolarHBondContact CA-O 3.32Å; R121-P123 WeakPolarHBondContact O-CD 3.5Å | ||
| 122 | E | 96.3 | Very high | 96.5 | Very high | 156 Ų | 156 | 69 Ų | 69 | 73% | 0.729 | 38% | 0.382 | S | S | * | . | trans | -94.9 | 117.9 | -177.9 | -61.3 | -57.5 | 146.9 | 0 | 0 | 109.6 | ||||
| 123 | P | 97.3 | Very high | 96.6 | Very high | 28 Ų | 28 | 70.2 Ų | 70.2 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | trans | -75.4 | 160.9 | 172 | 32.8 | -34.6 | 0 | 0 | 0 | 110.7 | M107 V108 W109 R121 V125 T126 | M107-P123 HydrophobicContact CB-CB 3.94Å; M107-P123 HydrophobicContact CB-CG 4.35Å; M107-P123 HydrophobicContact CG-CB 4.24Å; M107-P123 HydrophobicContact CG-CG 4.09Å; M107-P123 HydrophobicContact SD-CB 4.44Å; M107-P123 HydrophobicContact SD-CG 4.03Å; V108-P123 CarbonylContact O-C 3.52Å; V108-P123 WeakPolarHBondContact O-CB 3.33Å; W109-P123 HydrophobicContact CD2-CB 4.1Å; W109-P123 HydrophobicContact CE3-CB 3.8Å; W109-P123 HydrophobicContact CH2-CB 3.96Å; W109-P123 HydrophobicContact CH2-CG 4.31Å; W109-P123 HydrophobicContact CZ2-CB 4.28Å; W109-P123 HydrophobicContact CZ3-CB 3.72Å; W109-P123 HydrophobicContact CZ3-CG 4.3Å; R121-P123 WeakPolarHBondContact O-CD 3.5Å; P123-V125 VanDerWaalsContact C-N 3.32Å; P123-T126 VanDerWaalsContact CG-OG1 3.31Å; P123-T126 WeakPolarHBondContact CG-OG1 3.11Å | ||
| 124 | V | 96.6 | Very high | 97 | Very high | 44 Ų | 44 | 64.9 Ų | 64.9 | 27% | 0.267 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -66 | -41 | 170.5 | -170.5 | 0 | 0 | 0 | 0 | 109.8 | V108 E110 L404 V406 | V108-V124 PolarHBondContact O-N 2.88Å; E110-V124 HydrophobicContact CB-CG2 3.69Å; V124-L404 HydrophobicContact CB-CD2 4.42Å; V124-L404 HydrophobicContact CG1-CD2 4.13Å; V124-L404 HydrophobicContact CG1-CG 4.3Å; V124-V406 HydrophobicContact CG1-CG2 3.6Å |
| 125 | V | 97.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 140.7 | 173.5 | 59.7 | 0 | 0 | 0 | 0 | 111 | V108 P123 L127 V161 V406 | V108-V125 HydrophobicContact CB-CG1 3.7Å; V108-V125 HydrophobicContact CG2-CG1 3.81Å; V108-V125 PolarHBondContact N-O 2.75Å; P123-V125 VanDerWaalsContact C-N 3.32Å; V125-L127 HydrophobicContact CG1-CD2 4.32Å; V125-L127 HydrophobicContact CG2-CD2 3.75Å; V125-L127 HydrophobicContact CG2-CG 4.46Å; V125-V161 HydrophobicContact CG1-CB 4.4Å; V125-V406 HydrophobicContact CB-CG1 4.4Å; V125-V406 HydrophobicContact CB-CG2 4.19Å; V125-V406 HydrophobicContact CG1-CG2 4.4Å; V125-V406 HydrophobicContact CG2-CG1 4.45Å |
| 126 | T | 98.3 | Very high | 97.5 | Very high | 41 Ų | 41 | 63.4 Ų | 63.4 | 25% | 0.252 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 123.9 | 167.2 | -52.2 | 0 | 0 | 0 | 0 | 107.8 | T105 M107 P123 E128 | T105-T126 HydrophobicContact CG2-CG2 4.14Å; M107-T126 HydrophobicContact CE-CG2 4.06Å; M107-T126 HydrophobicContact CG-CG2 4.12Å; P123-T126 VanDerWaalsContact CG-OG1 3.31Å; P123-T126 WeakPolarHBondContact CG-OG1 3.11Å; T126-E128 HydrophobicContact CG2-CG 4.06Å |
| 127 | L | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 111 | 179.5 | -52.7 | 171 | 0 | 0 | 0 | 107.8 | V106 V108 V125 L147 W159 V161 | V106-L127 HydrophobicContact CB-CB 4.16Å; V106-L127 HydrophobicContact CB-CD1 4.23Å; V106-L127 HydrophobicContact CG1-CD1 4.05Å; V106-L127 PolarHBondContact N-O 3.22Å; V106-L127 VanDerWaalsContact N-O 3.12Å; V106-L127 PolarHBondContact O-N 3.4Å; V108-L127 HydrophobicContact CG2-CD1 4.33Å; V125-L127 HydrophobicContact CG1-CD2 4.32Å; V125-L127 HydrophobicContact CG2-CD2 3.75Å; V125-L127 HydrophobicContact CG2-CG 4.46Å; L127-L147 HydrophobicContact CD1-CD2 3.92Å; L127-W159 HydrophobicContact CB-CD2 3.96Å; L127-W159 HydrophobicContact CB-CE3 3.88Å; L127-W159 HydrophobicContact CB-CH2 4.13Å; L127-W159 HydrophobicContact CB-CZ2 4.19Å; L127-W159 HydrophobicContact CB-CZ3 3.96Å; L127-W159 HydrophobicContact CD1-CB 3.95Å; L127-W159 HydrophobicContact CD1-CD2 3.94Å; L127-W159 HydrophobicContact CD1-CE3 4.41Å; L127-W159 HydrophobicContact CD1-CG 3.71Å; L127-W159 HydrophobicContact CD2-CB 4.48Å; L127-W159 HydrophobicContact CD2-CD2 4.27Å; L127-W159 HydrophobicContact CD2-CE3 3.9Å; L127-W159 HydrophobicContact CG-CD2 4.28Å; L127-W159 HydrophobicContact CG-CE3 4.27Å; L127-V161 HydrophobicContact CD1-CG1 4.32Å |
| 128 | E | 98 | Very high | 97.8 | Very high | 148 Ų | 148 | 57.3 Ų | 57.3 | 69% | 0.692 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126.4 | -178 | -63.8 | 179.6 | -172.8 | 0 | 0 | 109.4 | T105 T126 | T105-E128 HydrophobicContact CG2-CG 4.3Å; T126-E128 HydrophobicContact CG2-CG 4.06Å |
| 129 | G | 97.6 | Very high | 97.9 | Very high | 37 Ų | 37 | 51.9 Ų | 51.9 | 38% | 0.381 | 27% | 0.265 | S | S | . | . | trans | -179.3 | -33.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | M157 | G129-M157 WeakPolarHBondContact O-CE 3.47Š| ||
| 130 | H | 98.6 | Very high | 98 | Very high | 14 Ų | 14 | 49.6 Ų | 49.6 | 7% | 0.065 | 25% | 0.25 | C | S | . | . | trans | -68.7 | 146.9 | 172.2 | -70.3 | -75.9 | 0 | 0 | 0 | 111.5 | C104 V134 S149 G151 D153 V155 | C104-H130 WeakPolarHBondContact CB-O 3.44Å; H130-V134 HydrophobicContact CB-CG2 3.6Å; H130-V134 VanDerWaalsContact CD2-CG2 3.44Å; H130-V134 WeakPolarHBondContact CD2-CG2 3.4Å; H130-S149 PolarHBondContact CD2-OG 3.31Å; H130-S149 PolarHBondContact NE2-OG 3.36Å; H130-G151 PolarHBondContact CE1-N 3.32Å; H130-D153 VanDerWaalsContact CA-OD2 3.24Å; H130-D153 WeakPolarHBondContact CA-OD2 3.31Å; H130-D153 WeakPolarHBondContact CB-OD2 3.43Å; H130-D153 IonicContact CE1-OD1 3.66Å; H130-D153 IonicContact CG-OD2 3.39Å; H130-D153 IonicContact ND1-OD1 2.87Å; H130-D153 PolarHBondContact ND1-OD1 2.88Å; H130-D153 IonicContact ND1-OD2 3.29Å; H130-D153 PolarHBondContact ND1-OD2 2.93Å; H130-V155 PolarHBondContact CE1-O 2.75Å; H130-V155 VanDerWaalsContact CE1-O 3.27Å | ||
| 131 | T | 98.3 | Very high | 98 | Very high | 111 Ų | 111 | 49.4 Ų | 49.4 | 68% | 0.681 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -105 | -5.5 | -179.4 | 58.1 | 0 | 0 | 0 | 0 | 113 | D153 | T131-D153 PolarHBondContact N-OD2 2.89Å; T131-D153 WeakPolarHBondContact OG1-CB 3.32Å; T131-D153 PolarHBondContact OG1-OD2 2.85Å |
| 132 | K | 98.6 | Very high | 98.1 | Very high | 113 Ų | 113 | 42.6 Ų | 42.6 | 49% | 0.491 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -138.4 | 170.2 | 174.6 | -69.9 | 176.7 | 179.4 | 172.1 | 0 | 109.2 | C104 V134 C152 D153 | C104-K132 WeakPolarHBondContact SG-CA 3.29Å; K132-V134 PolarHBondContact O-N 3.48Å; K132-C152 HydrophobicContact CB-CB 3.99Å; K132-C152 HydrophobicContact CD-CB 4.31Å; K132-C152 WeakPolarHBondContact CD-O 3.05Å; K132-D153 HydrophobicContact CB-CB 4.2Å; K132-D153 HydrophobicContact CD-CB 4.27Å; K132-D153 HydrophobicContact CG-CB 4.33Å |
| 133 | R | 98.2 | Very high | 98.2 | Very high | 95 Ų | 95 | 35.1 Ų | 35.1 | 36% | 0.358 | 19% | 0.191 | S | C | . | . | trans | -42.3 | 135.2 | 178.6 | 66.3 | -178.8 | 68.3 | -151.3 | -9.5 | 112.6 | L85 E102 G151 C152 | L85-R133 HydrophobicContact CD1-CB 3.84Å; L85-R133 HydrophobicContact CD1-CG 4.09Å; E102-R133 HydrophobicContact CB-CB 4.32Å; E102-R133 HydrophobicContact CG-CB 4.16Å; E102-R133 IonicContact OE1-CZ 2.65Å; E102-R133 VanDerWaalsContact OE1-CZ 3.29Å; E102-R133 IonicContact OE1-NH1 3.82Å; E102-R133 PolarHBondContact OE1-NH1 3.28Å; E102-R133 IonicContact OE1-NH2 3.48Å; E102-R133 PolarHBondContact OE1-NH2 3.29Å; R133-G151 CarbonylContact O-C 3.59Å; R133-G151 WeakPolarHBondContact O-CA 3.18Å; R133-C152 HydrophobicContact CG-CB 3.69Å; R133-C152 WeakPolarHBondContact CG-SG 3.42Å; R133-C152 PolarHBondContact O-N 3.26Å | ||
| 134 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 116.1 | 176.4 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | G100 S101 V106 H130 K132 V137 | G100-V134 CarbonylContact C-O 3.46Å; S101-V134 PolarHBondContact N-O 2.97Å; S101-V134 VanDerWaalsContact N-O 3.16Å; S101-V134 PolarHBondContact O-N 3.31Å; V106-V134 HydrophobicContact CG2-CB 4.23Å; V106-V134 HydrophobicContact CG2-CG1 3.62Å; V106-V134 HydrophobicContact CG2-CG2 4.31Å; H130-V134 HydrophobicContact CB-CG2 3.6Å; H130-V134 VanDerWaalsContact CD2-CG2 3.44Å; H130-V134 WeakPolarHBondContact CD2-CG2 3.4Å; K132-V134 PolarHBondContact O-N 3.48Å; V134-V137 HydrophobicContact CG1-CG1 4.41Å |
| 135 | G | 98.2 | Very high | 98.2 | Very high | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 6.1 | -172 | 0 | 0 | 0 | 0 | 0 | 115.2 | W35 A150 | W35-G135 PolarHBondContact NE1-O 2.82Å; G135-A150 PolarHBondContact N-O 3.43Å |
| 136 | I | 98.8 | Very high | 98.2 | Very high | 18 Ų | 18 | 36 Ų | 36 | 9% | 0.092 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 122.8 | 176.4 | -56.6 | 175 | 0 | 0 | 0 | 107.4 | D86 S149 A150 I179 V182 | D86-I136 WeakPolarHBondContact OD2-CA 3.47Å; I136-S149 VanDerWaalsContact O-CA 3.3Å; I136-S149 WeakPolarHBondContact O-CA 3.21Å; I136-A150 HydrophobicContact CB-CB 4.08Å; I136-A150 HydrophobicContact CD1-CB 4.22Å; I136-A150 PolarHBondContact N-O 2.88Å; I136-A150 PolarHBondContact O-N 2.97Å; I136-I179 HydrophobicContact CD1-CG2 4.06Å; I136-V182 HydrophobicContact CD1-CG2 4.32Å; I136-V182 HydrophobicContact CG2-CB 4.25Å; I136-V182 HydrophobicContact CG2-CG2 4.4Å |
| 137 | V | 98.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 129.9 | 169.2 | -68 | 0 | 0 | 0 | 0 | 109.9 | D86 A88 V106 V134 L148 | D86-V137 HydrophobicContact CB-CG2 4.06Å; D86-V137 PolarHBondContact OD2-N 3.12Å; A88-V137 HydrophobicContact CB-CG2 3.99Å; V106-V137 HydrophobicContact CG1-CG1 4.03Å; V106-V137 HydrophobicContact CG2-CG1 4.03Å; V134-V137 HydrophobicContact CG1-CG1 4.41Å; V137-L148 WeakPolarHBondContact CA-O 3.47Å |
| 138 | A | 98.8 | Very high | 98.3 | Very high | 19 Ų | 19 | 33.9 Ų | 33.9 | 16% | 0.157 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 113.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111 | L148 W184 | A138-L148 PolarHBondContact N-O 3.36Å; A138-L148 WeakPolarHBondContact O-CB 3.37Å; A138-L148 PolarHBondContact O-N 3.08Å; A138-W184 PolarHBondContact O-NE1 3.29Å |
| 139 | W | 98.8 | Very high | 98.3 | Very high | 20 Ų | 20 | 26.9 Ų | 26.9 | 8% | 0.076 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 143.4 | 173.9 | -70.6 | 94.3 | 0 | 0 | 0 | 111 | A88 C90 P91 V96 A98 V108 L147 V161 | A88-W139 PolarHBondContact O-NE1 3.43Å; C90-W139 HydrophobicContact CB-CD2 4.06Å; C90-W139 HydrophobicContact CB-CE3 4.38Å; C90-W139 HydrophobicContact CB-CH2 4.32Å; C90-W139 HydrophobicContact CB-CZ2 3.99Å; P91-W139 HydrophobicContact CG-CB 4.06Å; V96-W139 HydrophobicContact CG1-CH2 3.99Å; V96-W139 HydrophobicContact CG1-CZ2 3.87Å; A98-W139 HydrophobicContact CB-CZ2 3.87Å; V108-W139 HydrophobicContact CG1-CH2 4.1Å; V108-W139 HydrophobicContact CG1-CZ2 4.18Å; W139-L147 HydrophobicContact CD2-CB 4.5Å; W139-L147 HydrophobicContact CD2-CD1 3.83Å; W139-L147 HydrophobicContact CE3-CB 4.12Å; W139-L147 HydrophobicContact CE3-CD1 4.31Å; W139-L147 HydrophobicContact CG-CD1 3.95Å; W139-L147 HydrophobicContact CZ3-CB 4.21Å; W139-V161 HydrophobicContact CH2-CB 4.47Å; W139-V161 HydrophobicContact CH2-CG1 3.94Å; W139-V161 HydrophobicContact CH2-CG2 3.91Å; W139-V161 HydrophobicContact CZ3-CG1 3.98Å; W139-V161 HydrophobicContact CZ3-CG2 3.83Å |
| 140 | H | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -65.9 | 136.7 | 172.3 | -169.1 | -69.9 | 0 | 0 | 0 | 110.3 | H92 T142 A143 V146 W184 G188 W379 | H92-H140 PolarHBondContact CE1-O 3.47Å; H140-T142 PolarHBondContact CE1-OG1 3.49Å; H140-T142 PolarHBondContact ND1-N 3.46Å; H140-T142 VanDerWaalsContact ND1-N 3.11Å; H140-T142 PolarHBondContact O-N 2.93Å; H140-A143 PolarHBondContact CE1-N 2.93Å; H140-A143 WeakPolarHBondContact ND1-CB 3.11Å; H140-A143 PolarHBondContact ND1-N 3.11Å; H140-V146 HydrophobicContact CB-CB 3.57Å; H140-V146 HydrophobicContact CB-CG1 3.76Å; H140-V146 VanDerWaalsContact CB-O 3.26Å; H140-V146 WeakPolarHBondContact CB-O 3.36Å; H140-V146 PolarHBondContact N-O 3.4Å; H140-W184 AromaticContact CD2-CH2 3.66Å; H140-W184 AromaticContact CD2-CZ2 3.87Å; H140-W184 AromaticContact CD2-CZ3 3.73Å; H140-G188 WeakPolarHBondContact NE2-CA 3.22Å; H140-G188 PolarHBondContact NE2-O 3.36Å; H140-G188 VanDerWaalsContact NE2-O 3.14Å; H140-W379 AromaticContact CD2-CE2 3.77Å; H140-W379 AromaticContact CD2-CZ2 3.9Å; H140-W379 AromaticContact CD2-NE1 3.98Å; H140-W379 AromaticContact CE1-CD1 3.96Å; H140-W379 AromaticContact CE1-NE1 3.88Å; H140-W379 AromaticContact NE2-CD1 3.51Å; H140-W379 AromaticContact NE2-CD2 3.83Å; H140-W379 AromaticContact NE2-CE2 3.29Å; H140-W379 VanDerWaalsContact NE2-CE2 3.29Å; H140-W379 AromaticContact NE2-CG 3.96Å; H140-W379 AromaticContact NE2-CZ2 3.79Å; H140-W379 AromaticContact NE2-NE1 3.04Å; H140-W379 PolarHBondContact NE2-NE1 2.91Å | ||
| 141 | P | 98.1 | Very high | 98.3 | Very high | 37 Ų | 37 | 24.8 Ų | 24.8 | 24% | 0.24 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -72.1 | -29.8 | -172.8 | 24.4 | -33.1 | 0 | 0 | 0 | 114.1 | H92 W184 S185 | H92-P141 PolarHBondContact NE2-O 3.04Å; P141-W184 HydrophobicContact CG-CB 4.09Å; P141-S185 WeakPolarHBondContact CG-O 3.43Å |
| 142 | T | 98.1 | Very high | 98.3 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -124.5 | -31.5 | -170.3 | 67.1 | 0 | 0 | 0 | 0 | 115.6 | H140 D187 P372 A373 L374 A385 P387 | H140-T142 PolarHBondContact CE1-OG1 3.49Å; H140-T142 PolarHBondContact ND1-N 3.46Å; H140-T142 VanDerWaalsContact ND1-N 3.11Å; H140-T142 PolarHBondContact O-N 2.93Å; T142-D187 PolarHBondContact OG1-O 3.37Å; T142-P372 CarbonylContact O-C 3.5Å; T142-P372 WeakPolarHBondContact O-CA 3.49Å; T142-P372 VanDerWaalsContact O-CB 3.28Å; T142-P372 WeakPolarHBondContact O-CB 3.41Å; T142-A373 PolarHBondContact O-N 2.95Å; T142-L374 PolarHBondContact O-N 2.92Å; T142-A385 WeakPolarHBondContact CB-O 3.22Å; T142-A385 VanDerWaalsContact CG2-O 3.32Å; T142-A385 WeakPolarHBondContact CG2-O 3.31Å; T142-A385 PolarHBondContact OG1-O 3.1Å; T142-P387 HydrophobicContact CG2-CB 4.05Å |
| 143 | A | 98.1 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | B | Isolated β-bridge | trans | -82.5 | 130.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H140 V146 L374 W379 | H140-A143 PolarHBondContact CE1-N 2.93Å; H140-A143 WeakPolarHBondContact ND1-CB 3.11Å; H140-A143 PolarHBondContact ND1-N 3.11Å; A143-V146 HydrophobicContact CB-CB 4.21Å; A143-V146 HydrophobicContact CB-CG2 3.76Å; A143-L374 CarbonylContact C-O 3.59Å; A143-L374 WeakPolarHBondContact CA-O 3.31Å; A143-L374 HydrophobicContact CB-CB 4.45Å; A143-W379 HydrophobicContact CB-CB 3.74Å; A143-W379 HydrophobicContact CB-CD2 4.47Å; A143-W379 HydrophobicContact CB-CG 3.95Å |
| 144 | Q | 96.3 | Very high | 98.3 | Very high | 56 Ų | 56 | 12.8 Ų | 12.8 | 26% | 0.262 | 7% | 0.074 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 137.6 | 178 | -171.5 | 178.1 | -1.2 | 0 | 0 | 111.2 | V146 P372 L374 | Q144-V146 PolarHBondContact O-N 2.86Å; Q144-P372 HydrophobicContact CB-CB 3.86Å; Q144-P372 HydrophobicContact CB-CG 3.77Å; Q144-P372 HydrophobicContact CG-CG 4.08Å; Q144-L374 PolarHBondContact N-O 3.33Å |
| 145 | N | 96.4 | Very high | 98.3 | Very high | 33 Ų | 33 | 13.6 Ų | 13.6 | 18% | 0.176 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 6.4 | 173.2 | -64.2 | -9 | 0 | 0 | 0 | 116.1 | V161 | N145-V161 HydrophobicContact CB-CG2 3.57Å; N145-V161 WeakPolarHBondContact O-CG2 3.37Å; N145-V161 PolarHBondContact O-N 2.79Å |
| 146 | V | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.006 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 122.6 | 177.8 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | H140 A143 Q144 V158 W159 A376 W379 | H140-V146 HydrophobicContact CB-CB 3.57Å; H140-V146 HydrophobicContact CB-CG1 3.76Å; H140-V146 VanDerWaalsContact CB-O 3.26Å; H140-V146 WeakPolarHBondContact CB-O 3.36Å; H140-V146 PolarHBondContact N-O 3.4Å; A143-V146 HydrophobicContact CB-CB 4.21Å; A143-V146 HydrophobicContact CB-CG2 3.76Å; Q144-V146 PolarHBondContact O-N 2.86Å; V146-V158 HydrophobicContact CG1-CG1 3.4Å; V146-V158 VanDerWaalsContact CG1-CG1 3.4Å; V146-W159 WeakPolarHBondContact CA-O 3.31Å; V146-A376 HydrophobicContact CG2-CB 3.78Å; V146-W379 HydrophobicContact CG1-CE3 4.22Å; V146-W379 HydrophobicContact CG1-CH2 4.38Å; V146-W379 HydrophobicContact CG1-CZ3 3.91Å; V146-W379 HydrophobicContact CG2-CE3 4.15Å |
| 147 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135.4 | 178.7 | 175.8 | 64.2 | 0 | 0 | 0 | 109.8 | A98 V106 V108 L127 W139 V158 W159 V161 | A98-L147 HydrophobicContact CB-CD1 4.17Å; A98-L147 HydrophobicContact CB-CD2 3.8Å; V106-L147 HydrophobicContact CG1-CD2 3.86Å; V108-L147 HydrophobicContact CG2-CD2 4.16Å; L127-L147 HydrophobicContact CD1-CD2 3.92Å; W139-L147 HydrophobicContact CD2-CB 4.5Å; W139-L147 HydrophobicContact CD2-CD1 3.83Å; W139-L147 HydrophobicContact CE3-CB 4.12Å; W139-L147 HydrophobicContact CE3-CD1 4.31Å; W139-L147 HydrophobicContact CG-CD1 3.95Å; W139-L147 HydrophobicContact CZ3-CB 4.21Å; L147-V158 CarbonylContact O-C 3.17Å; L147-V158 WeakPolarHBondContact O-CA 3.5Å; L147-W159 HydrophobicContact CB-CB 4.48Å; L147-W159 PolarHBondContact N-O 2.87Å; L147-W159 PolarHBondContact O-N 2.81Å; L147-V161 HydrophobicContact CB-CG1 3.75Å; L147-V161 HydrophobicContact CD2-CG1 4.05Å |
| 148 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 141.2 | 171.3 | -176.4 | 150.7 | 0 | 0 | 0 | 110.2 | V137 A138 I156 M157 V158 V182 W184 I191 | V137-L148 WeakPolarHBondContact CA-O 3.47Å; A138-L148 PolarHBondContact N-O 3.36Å; A138-L148 WeakPolarHBondContact O-CB 3.37Å; A138-L148 PolarHBondContact O-N 3.08Å; L148-I156 HydrophobicContact CD1-CG2 3.67Å; L148-I156 HydrophobicContact CD2-CG2 3.96Å; L148-I156 HydrophobicContact CG-CG2 3.69Å; L148-M157 CarbonylContact C-O 3.58Å; L148-M157 WeakPolarHBondContact CA-O 3.3Å; L148-V158 HydrophobicContact CD1-CG2 4.38Å; L148-V182 HydrophobicContact CD1-CG1 3.81Å; L148-V182 HydrophobicContact CD2-CB 4.05Å; L148-V182 HydrophobicContact CD2-CG1 3.7Å; L148-V182 HydrophobicContact CD2-CG2 4.36Å; L148-V182 HydrophobicContact CG-CG1 4.46Å; L148-W184 HydrophobicContact CB-CZ2 3.9Å; L148-W184 HydrophobicContact CD1-CH2 4.43Å; L148-W184 HydrophobicContact CD1-CZ2 3.72Å; L148-W184 HydrophobicContact CG-CZ2 4.47Å; L148-I191 HydrophobicContact CD1-CD1 4.32Å; L148-I191 HydrophobicContact CD1-CG2 3.94Å |
| 149 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 148.3 | 165.4 | 63.5 | 0 | 0 | 0 | 0 | 111.9 | H130 I136 I156 M157 W159 | H130-S149 PolarHBondContact CD2-OG 3.31Å; H130-S149 PolarHBondContact NE2-OG 3.36Å; I136-S149 VanDerWaalsContact O-CA 3.3Å; I136-S149 WeakPolarHBondContact O-CA 3.21Å; S149-I156 WeakPolarHBondContact O-CA 3.28Å; S149-M157 PolarHBondContact N-O 2.89Å; S149-M157 PolarHBondContact O-N 2.99Å; S149-W159 PolarHBondContact OG-NE1 2.93Å |
| 150 | A | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 12.8 Ų | 12.8 | 3% | 0.025 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 132.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G135 I136 V155 I156 I179 V182 | G135-A150 PolarHBondContact N-O 3.43Å; I136-A150 HydrophobicContact CB-CB 4.08Å; I136-A150 HydrophobicContact CD1-CB 4.22Å; I136-A150 PolarHBondContact N-O 2.88Å; I136-A150 PolarHBondContact O-N 2.97Å; A150-V155 WeakPolarHBondContact CA-O 3.43Å; A150-I156 HydrophobicContact CB-CG1 4.02Å; A150-I179 HydrophobicContact CB-CD1 4.24Å; A150-I179 HydrophobicContact CB-CG2 4.46Å; A150-V182 HydrophobicContact CB-CG2 4.07Å |
| 151 | G | 97.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 12.8 Ų | 12.8 | 5% | 0.052 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 167.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | H130 R133 D153 N154 V155 | H130-G151 PolarHBondContact CE1-N 3.32Å; R133-G151 CarbonylContact O-C 3.59Å; R133-G151 WeakPolarHBondContact O-CA 3.18Å; G151-D153 VanDerWaalsContact CA-OD1 3.32Å; G151-D153 WeakPolarHBondContact CA-OD1 3.47Å; G151-D153 PolarHBondContact O-N 2.9Å; G151-N154 PolarHBondContact O-N 3.3Å; G151-V155 PolarHBondContact N-O 3.46Å |
| 152 | C | 98.1 | Very high | 97.9 | Very high | 29 Ų | 29 | 11.3 Ų | 11.3 | 20% | 0.196 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 3.1 | 170.1 | -73.2 | 0 | 0 | 0 | 0 | 113.8 | W35 K132 R133 | W35-C152 VanDerWaalsContact CH2-SG 3.59Å; K132-C152 HydrophobicContact CB-CB 3.99Å; K132-C152 HydrophobicContact CD-CB 4.31Å; K132-C152 WeakPolarHBondContact CD-O 3.05Å; R133-C152 HydrophobicContact CG-CB 3.69Å; R133-C152 WeakPolarHBondContact CG-SG 3.42Å; R133-C152 PolarHBondContact O-N 3.26Å |
| 153 | D | 98.3 | Very high | 97.7 | Very high | 17 Ų | 17 | 14 Ų | 14 | 9% | 0.091 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 1 | 162.5 | 53.7 | 4.9 | 0 | 0 | 0 | 112.3 | H130 T131 K132 G151 V155 | H130-D153 VanDerWaalsContact CA-OD2 3.24Å; H130-D153 WeakPolarHBondContact CA-OD2 3.31Å; H130-D153 WeakPolarHBondContact CB-OD2 3.43Å; H130-D153 IonicContact CE1-OD1 3.66Å; H130-D153 IonicContact CG-OD2 3.39Å; H130-D153 IonicContact ND1-OD1 2.87Å; H130-D153 PolarHBondContact ND1-OD1 2.88Å; H130-D153 IonicContact ND1-OD2 3.29Å; H130-D153 PolarHBondContact ND1-OD2 2.93Å; T131-D153 PolarHBondContact N-OD2 2.89Å; T131-D153 WeakPolarHBondContact OG1-CB 3.32Å; T131-D153 PolarHBondContact OG1-OD2 2.85Å; K132-D153 HydrophobicContact CB-CB 4.2Å; K132-D153 HydrophobicContact CD-CB 4.27Å; K132-D153 HydrophobicContact CG-CB 4.33Å; G151-D153 VanDerWaalsContact CA-OD1 3.32Å; G151-D153 WeakPolarHBondContact CA-OD1 3.47Å; G151-D153 PolarHBondContact O-N 2.9Å; D153-V155 HydrophobicContact CB-CG2 4.34Å; D153-V155 PolarHBondContact O-N 2.77Å; D153-V155 PolarHBondContact OD1-N 2.8Å |
| 154 | N | 98.4 | Very high | 97.5 | Very high | 21 Ų | 21 | 15.1 Ų | 15.1 | 11% | 0.112 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 60.4 | 25.2 | -179.1 | -45.4 | -28.7 | 0 | 0 | 0 | 112.7 | G151 H175 D177 T178 | G151-N154 PolarHBondContact O-N 3.3Å; N154-H175 HydrophobicContact CB-CB 4.41Å; N154-H175 WeakPolarHBondContact CB-O 3.38Å; N154-D177 WeakPolarHBondContact ND2-CA 3.46Å; N154-D177 PolarHBondContact ND2-O 2.89Å; N154-D177 PolarHBondContact OD1-O 2.81Å; N154-T178 WeakPolarHBondContact OD1-CA 3.35Å; N154-T178 PolarHBondContact OD1-N 3.12Å |
| 155 | V | 98.4 | Very high | 97.5 | Very high | 17 Ų | 17 | 14.6 Ų | 14.6 | 10% | 0.103 | 10% | 0.097 | C | C | . | . | trans | -98.7 | 141.2 | 174.1 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | H130 A150 G151 D153 M157 T169 L170 | H130-V155 PolarHBondContact CE1-O 2.75Å; H130-V155 VanDerWaalsContact CE1-O 3.27Å; A150-V155 WeakPolarHBondContact CA-O 3.43Å; G151-V155 PolarHBondContact N-O 3.46Å; D153-V155 HydrophobicContact CB-CG2 4.34Å; D153-V155 PolarHBondContact O-N 2.77Å; D153-V155 PolarHBondContact OD1-N 2.8Å; V155-M157 HydrophobicContact CG1-CE 3.99Å; V155-M157 HydrophobicContact CG1-CG 3.9Å; V155-T169 HydrophobicContact CG1-CG2 3.67Å; V155-L170 WeakPolarHBondContact CA-O 3.38Å; V155-L170 WeakPolarHBondContact CG1-O 3.41Å | ||
| 156 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.7 | 164.7 | -59 | 178.5 | 0 | 0 | 0 | 107.6 | L148 S149 A150 T169 L170 I179 V182 I191 T193 | L148-I156 HydrophobicContact CD1-CG2 3.67Å; L148-I156 HydrophobicContact CD2-CG2 3.96Å; L148-I156 HydrophobicContact CG-CG2 3.69Å; S149-I156 WeakPolarHBondContact O-CA 3.28Å; A150-I156 HydrophobicContact CB-CG1 4.02Å; I156-T169 WeakPolarHBondContact O-CA 3.42Å; I156-L170 HydrophobicContact CB-CB 4.2Å; I156-L170 PolarHBondContact N-O 3.01Å; I156-L170 PolarHBondContact O-N 3.2Å; I156-I179 HydrophobicContact CD1-CD1 4.08Å; I156-I179 HydrophobicContact CG1-CD1 3.61Å; I156-V182 HydrophobicContact CD1-CG2 3.99Å; I156-I191 HydrophobicContact CD1-CD1 4.08Å; I156-T193 HydrophobicContact CD1-CG2 3.78Å |
| 157 | M | 98.8 | Very high | 97.5 | Very high | 21 Ų | 21 | 17.5 Ų | 17.5 | 10% | 0.103 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 137.7 | 173.7 | -68.1 | -175.9 | 171.6 | 0 | 0 | 109.6 | G129 L148 S149 V155 W159 T169 | G129-M157 WeakPolarHBondContact O-CE 3.47Å; L148-M157 CarbonylContact C-O 3.58Å; L148-M157 WeakPolarHBondContact CA-O 3.3Å; S149-M157 PolarHBondContact N-O 2.89Å; S149-M157 PolarHBondContact O-N 2.99Å; V155-M157 HydrophobicContact CG1-CE 3.99Å; V155-M157 HydrophobicContact CG1-CG 3.9Å; M157-W159 HydrophobicContact CB-CZ2 3.69Å; M157-W159 HydrophobicContact CG-CZ2 4.14Å; M157-W159 HydrophobicContact SD-CH2 3.64Å; M157-W159 HydrophobicContact SD-CZ2 3.34Å; M157-W159 WeakPolarHBondContact SD-CZ2 3.36Å; M157-T169 HydrophobicContact CE-CG2 4.39Å; M157-T169 HydrophobicContact CG-CG2 4.46Å |
| 158 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 131.6 | 168.4 | -175.1 | 0 | 0 | 0 | 0 | 107.7 | V146 L147 L148 A166 V167 L168 W379 | V146-V158 HydrophobicContact CG1-CG1 3.4Å; V146-V158 VanDerWaalsContact CG1-CG1 3.4Å; L147-V158 CarbonylContact O-C 3.17Å; L147-V158 WeakPolarHBondContact O-CA 3.5Å; L148-V158 HydrophobicContact CD1-CG2 4.38Å; V158-A166 CarbonylContact O-C 3.56Å; V158-V167 HydrophobicContact CB-CG2 4.22Å; V158-V167 HydrophobicContact CG1-CG2 3.96Å; V158-V167 VanDerWaalsContact O-CG2 3.22Å; V158-V167 WeakPolarHBondContact O-CG2 3.42Å; V158-V167 PolarHBondContact O-N 3.4Å; V158-L168 HydrophobicContact CB-CB 3.91Å; V158-L168 HydrophobicContact CB-CD1 4.16Å; V158-L168 HydrophobicContact CB-CG 4.33Å; V158-L168 HydrophobicContact CG1-CD1 4.47Å; V158-L168 HydrophobicContact CG2-CB 4.1Å; V158-L168 HydrophobicContact CG2-CD1 4.12Å; V158-L168 PolarHBondContact N-O 3.31Å; V158-L168 PolarHBondContact O-N 3.35Å; V158-W379 HydrophobicContact CG1-CH2 4.13Å; V158-W379 HydrophobicContact CG1-CZ3 4.05Å |
| 159 | W | 98.7 | Very high | 97.4 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 143.2 | -173.2 | -51.5 | 91.5 | 0 | 0 | 0 | 110.2 | L127 V146 L147 S149 M157 A165 A166 | L127-W159 HydrophobicContact CB-CD2 3.96Å; L127-W159 HydrophobicContact CB-CE3 3.88Å; L127-W159 HydrophobicContact CB-CH2 4.13Å; L127-W159 HydrophobicContact CB-CZ2 4.19Å; L127-W159 HydrophobicContact CB-CZ3 3.96Å; L127-W159 HydrophobicContact CD1-CB 3.95Å; L127-W159 HydrophobicContact CD1-CD2 3.94Å; L127-W159 HydrophobicContact CD1-CE3 4.41Å; L127-W159 HydrophobicContact CD1-CG 3.71Å; L127-W159 HydrophobicContact CD2-CB 4.48Å; L127-W159 HydrophobicContact CD2-CD2 4.27Å; L127-W159 HydrophobicContact CD2-CE3 3.9Å; L127-W159 HydrophobicContact CG-CD2 4.28Å; L127-W159 HydrophobicContact CG-CE3 4.27Å; V146-W159 WeakPolarHBondContact CA-O 3.31Å; L147-W159 HydrophobicContact CB-CB 4.48Å; L147-W159 PolarHBondContact N-O 2.87Å; L147-W159 PolarHBondContact O-N 2.81Å; S149-W159 PolarHBondContact OG-NE1 2.93Å; M157-W159 HydrophobicContact CB-CZ2 3.69Å; M157-W159 HydrophobicContact CG-CZ2 4.14Å; M157-W159 HydrophobicContact SD-CH2 3.64Å; M157-W159 HydrophobicContact SD-CZ2 3.34Å; M157-W159 WeakPolarHBondContact SD-CZ2 3.36Å; W159-A165 WeakPolarHBondContact CA-O 3.37Å; W159-A166 HydrophobicContact CD2-CB 4.47Å; W159-A166 HydrophobicContact CE3-CB 3.77Å; W159-A166 HydrophobicContact CH2-CB 4.12Å; W159-A166 HydrophobicContact CZ3-CB 3.58Å |
| 160 | D | 97.9 | Very high | 97.4 | Very high | 23 Ų | 23 | 22.3 Ų | 22.3 | 12% | 0.123 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 107.2 | 155.8 | 171.2 | 10.9 | 0 | 0 | 0 | 108.1 | G162 T163 G164 A165 V167 | D160-G162 PolarHBondContact O-N 3.29Å; D160-G162 WeakPolarHBondContact OD1-CA 3.31Å; D160-G162 PolarHBondContact OD1-N 3.32Å; D160-T163 WeakPolarHBondContact CB-OG1 3.28Å; D160-T163 VanDerWaalsContact CG-OG1 3.31Å; D160-T163 PolarHBondContact O-N 3.44Å; D160-T163 PolarHBondContact O-OG1 3.27Å; D160-T163 VanDerWaalsContact OD2-CG2 3.31Å; D160-T163 WeakPolarHBondContact OD2-CG2 3.48Å; D160-T163 PolarHBondContact OD2-OG1 3.07Å; D160-G164 WeakPolarHBondContact O-CA 3.35Å; D160-G164 PolarHBondContact O-N 3.19Å; D160-A165 PolarHBondContact N-O 3.48Å; D160-A165 PolarHBondContact O-N 2.81Å; D160-V167 HydrophobicContact CB-CG1 3.83Å |
| 161 | V | 96.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -20.3 | -177.9 | -54.2 | 0 | 0 | 0 | 0 | 112.8 | V108 V125 L127 W139 N145 L147 T163 L404 V406 | V108-V161 HydrophobicContact CG2-CG1 4.04Å; V125-V161 HydrophobicContact CG1-CB 4.4Å; L127-V161 HydrophobicContact CD1-CG1 4.32Å; W139-V161 HydrophobicContact CH2-CB 4.47Å; W139-V161 HydrophobicContact CH2-CG1 3.94Å; W139-V161 HydrophobicContact CH2-CG2 3.91Å; W139-V161 HydrophobicContact CZ3-CG1 3.98Å; W139-V161 HydrophobicContact CZ3-CG2 3.83Å; N145-V161 HydrophobicContact CB-CG2 3.57Å; N145-V161 WeakPolarHBondContact O-CG2 3.37Å; N145-V161 PolarHBondContact O-N 2.79Å; L147-V161 HydrophobicContact CB-CG1 3.75Å; L147-V161 HydrophobicContact CD2-CG1 4.05Å; V161-T163 VanDerWaalsContact C-N 3.27Å; V161-T163 PolarHBondContact O-N 3.21Å; V161-L404 HydrophobicContact CG2-CD1 3.96Å; V161-L404 HydrophobicContact CG2-CD2 4.31Å; V161-V406 WeakPolarHBondContact O-CG2 3.33Å |
| 162 | G | 93.3 | Very high | 97 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 7% | 0.072 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -22 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D160 V406 N407 | D160-G162 PolarHBondContact O-N 3.29Å; D160-G162 WeakPolarHBondContact OD1-CA 3.31Å; D160-G162 PolarHBondContact OD1-N 3.32Å; G162-V406 CarbonylContact O-C 3.59Å; G162-V406 VanDerWaalsContact O-CA 3.27Å; G162-V406 WeakPolarHBondContact O-CA 3.33Å; G162-N407 PolarHBondContact O-N 2.93Å |
| 163 | T | 94 | Very high | 96.8 | Very high | 57 Ų | 57 | 31.1 Ų | 31.1 | 35% | 0.35 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -20.6 | 176.2 | 55.9 | 0 | 0 | 0 | 0 | 112.5 | D160 V161 A165 | D160-T163 WeakPolarHBondContact CB-OG1 3.28Å; D160-T163 VanDerWaalsContact CG-OG1 3.31Å; D160-T163 PolarHBondContact O-N 3.44Å; D160-T163 PolarHBondContact O-OG1 3.27Å; D160-T163 VanDerWaalsContact OD2-CG2 3.31Å; D160-T163 WeakPolarHBondContact OD2-CG2 3.48Å; D160-T163 PolarHBondContact OD2-OG1 3.07Å; V161-T163 VanDerWaalsContact C-N 3.27Å; V161-T163 PolarHBondContact O-N 3.21Å; T163-A165 PolarHBondContact OG1-N 2.98Å |
| 164 | G | 94.3 | Very high | 96.8 | Very high | 24 Ų | 24 | 31.3 Ų | 31.3 | 25% | 0.247 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | 10.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D160 | D160-G164 WeakPolarHBondContact O-CA 3.35Å; D160-G164 PolarHBondContact O-N 3.19Å |
| 165 | A | 95.8 | Very high | 96.8 | Very high | 44 Ų | 44 | 30.3 Ų | 30.3 | 36% | 0.364 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 140.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112 | W159 D160 T163 V167 | W159-A165 WeakPolarHBondContact CA-O 3.37Å; D160-A165 PolarHBondContact N-O 3.48Å; D160-A165 PolarHBondContact O-N 2.81Å; T163-A165 PolarHBondContact OG1-N 2.98Å; A165-V167 HydrophobicContact CB-CG1 4.47Å; A165-V167 PolarHBondContact O-N 3.3Å |
| 166 | A | 97.3 | Very high | 96.7 | Very high | 50 Ų | 50 | 33.5 Ų | 33.5 | 41% | 0.413 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 109.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | V158 W159 | V158-A166 CarbonylContact O-C 3.56Å; W159-A166 HydrophobicContact CD2-CB 4.47Å; W159-A166 HydrophobicContact CE3-CB 3.77Å; W159-A166 HydrophobicContact CH2-CB 4.12Å; W159-A166 HydrophobicContact CZ3-CB 3.58Å |
| 167 | V | 97.8 | Very high | 96.7 | Very high | 45 Ų | 45 | 35.8 Ų | 35.8 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -26.1 | -175.8 | -65.4 | 0 | 0 | 0 | 0 | 112.8 | V158 D160 A165 L380 | V158-V167 HydrophobicContact CB-CG2 4.22Å; V158-V167 HydrophobicContact CG1-CG2 3.96Å; V158-V167 VanDerWaalsContact O-CG2 3.22Å; V158-V167 WeakPolarHBondContact O-CG2 3.42Å; V158-V167 PolarHBondContact O-N 3.4Å; D160-V167 HydrophobicContact CB-CG1 3.83Å; A165-V167 HydrophobicContact CB-CG1 4.47Å; A165-V167 PolarHBondContact O-N 3.3Å; V167-L380 HydrophobicContact CB-CD1 3.93Å; V167-L380 HydrophobicContact CB-CD2 4.01Å; V167-L380 HydrophobicContact CG1-CD1 3.96Å; V167-L380 HydrophobicContact CG2-CD1 4.18Å; V167-L380 HydrophobicContact CG2-CD2 3.88Å |
| 168 | L | 97.8 | Very high | 96.6 | Very high | 28 Ų | 28 | 36.7 Ų | 36.7 | 15% | 0.147 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 150.5 | 172.1 | -54.3 | 166 | 0 | 0 | 0 | 110.3 | V158 P205 R206 W379 L380 | V158-L168 HydrophobicContact CB-CB 3.91Å; V158-L168 HydrophobicContact CB-CD1 4.16Å; V158-L168 HydrophobicContact CB-CG 4.33Å; V158-L168 HydrophobicContact CG1-CD1 4.47Å; V158-L168 HydrophobicContact CG2-CB 4.1Å; V158-L168 HydrophobicContact CG2-CD1 4.12Å; V158-L168 PolarHBondContact N-O 3.31Å; V158-L168 PolarHBondContact O-N 3.35Å; L168-P205 HydrophobicContact CD1-CB 4.39Å; L168-R206 HydrophobicContact CD1-CG 4.03Å; L168-W379 HydrophobicContact CD1-CH2 3.68Å; L168-W379 HydrophobicContact CD1-CZ3 3.95Å; L168-L380 HydrophobicContact CD1-CD2 4.23Å; L168-L380 HydrophobicContact CD2-CD2 4.39Å; L168-L380 HydrophobicContact CG-CD2 4.14Å |
| 169 | T | 98 | Very high | 96.6 | Very high | 74 Ų | 74 | 37.2 Ų | 37.2 | 45% | 0.454 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 120.9 | 174.6 | -58.6 | 0 | 0 | 0 | 0 | 109.2 | V155 I156 M157 | V155-T169 HydrophobicContact CG1-CG2 3.67Å; I156-T169 WeakPolarHBondContact O-CA 3.42Å; M157-T169 HydrophobicContact CE-CG2 4.39Å; M157-T169 HydrophobicContact CG-CG2 4.46Å |
| 170 | L | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 112.3 | 169 | -66.8 | 70.9 | 0 | 0 | 0 | 106.4 | V155 I156 V174 I191 I203 P205 | V155-L170 WeakPolarHBondContact CA-O 3.38Å; V155-L170 WeakPolarHBondContact CG1-O 3.41Å; I156-L170 HydrophobicContact CB-CB 4.2Å; I156-L170 PolarHBondContact N-O 3.01Å; I156-L170 PolarHBondContact O-N 3.2Å; L170-V174 HydrophobicContact CB-CG2 4.21Å; L170-I191 HydrophobicContact CD2-CD1 4.2Å; L170-I203 HydrophobicContact CD2-CD1 4.3Å; L170-I203 HydrophobicContact CD2-CG2 3.82Å; L170-P205 HydrophobicContact CD1-CB 4.48Å |
| 171 | G | 94.8 | Very high | 96.7 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | trans | -79 | -179.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E173 V174 | G171-E173 VanDerWaalsContact CA-OE1 3.25Å; G171-E173 WeakPolarHBondContact CA-OE1 3.49Å; G171-E173 WeakPolarHBondContact CA-OE2 3.46Å; G171-E173 PolarHBondContact N-OE1 2.93Å; G171-E173 PolarHBondContact O-N 3.06Å; G171-E173 VanDerWaalsContact O-N 3.09Å; G171-V174 PolarHBondContact O-N 2.94Å; G171-V174 VanDerWaalsContact O-N 3.08Å | ||
| 172 | P | 94.4 | Very high | 96.8 | Very high | 68 Ų | 68 | 38.9 Ų | 38.9 | 44% | 0.442 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -10.4 | -177.9 | 30.5 | -36.4 | 0 | 0 | 0 | 113.4 | V174 H175 P176 | P172-V174 VanDerWaalsContact C-N 3.26Å; P172-V174 PolarHBondContact O-N 2.79Å; P172-H175 CarbonylContact O-C 3.56Å; P172-H175 PolarHBondContact O-N 3.42Å; P172-P176 WeakPolarHBondContact O-CA 3.29Å |
| 173 | E | 94.2 | Very high | 97 | Very high | 146 Ų | 146 | 40.8 Ų | 40.8 | 68% | 0.682 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -27.1 | 171.1 | 68.2 | -71.9 | 166.1 | 0 | 0 | 113.2 | G171 | G171-E173 VanDerWaalsContact CA-OE1 3.25Å; G171-E173 WeakPolarHBondContact CA-OE1 3.49Å; G171-E173 WeakPolarHBondContact CA-OE2 3.46Å; G171-E173 PolarHBondContact N-OE1 2.93Å; G171-E173 PolarHBondContact O-N 3.06Å; G171-E173 VanDerWaalsContact O-N 3.09Å |
| 174 | V | 97.1 | Very high | 97.3 | Very high | 20 Ų | 20 | 38.9 Ų | 38.9 | 12% | 0.121 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -39.5 | 175.7 | -173.6 | 0 | 0 | 0 | 0 | 110.4 | L170 G171 P172 I203 | L170-V174 HydrophobicContact CB-CG2 4.21Å; G171-V174 PolarHBondContact O-N 2.94Å; G171-V174 VanDerWaalsContact O-N 3.08Å; P172-V174 VanDerWaalsContact C-N 3.26Å; P172-V174 PolarHBondContact O-N 2.79Å; V174-I203 HydrophobicContact CG1-CD1 3.84Å |
| 175 | H | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -127.5 | 95.8 | -178.8 | -60.5 | 98.1 | 0 | 0 | 0 | 110.2 | N154 P172 D177 I179 T193 | N154-H175 HydrophobicContact CB-CB 4.41Å; N154-H175 WeakPolarHBondContact CB-O 3.38Å; P172-H175 CarbonylContact O-C 3.56Å; P172-H175 PolarHBondContact O-N 3.42Å; H175-D177 PolarHBondContact O-N 3.31Å; H175-I179 HydrophobicContact CB-CD1 4.02Å; H175-I179 HydrophobicContact CB-CG1 3.78Å; H175-T193 WeakPolarHBondContact NE2-CB 3.35Å; H175-T193 PolarHBondContact NE2-OG1 2.78Å | ||
| 176 | P | 97.2 | Very high | 97.5 | Very high | 85 Ų | 85 | 41.2 Ų | 41.2 | 55% | 0.552 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -74.5 | -8.7 | -175.2 | 29.9 | -36 | 0 | 0 | 0 | 113.9 | P172 D197 | P172-P176 WeakPolarHBondContact O-CA 3.29Å; P176-D197 HydrophobicContact CG-CB 4.18Å |
| 177 | D | 97.9 | Very high | 97.4 | Very high | 48 Ų | 48 | 41.6 Ų | 41.6 | 26% | 0.257 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -142.3 | -178.1 | 178.6 | -155.9 | -21.4 | 0 | 0 | 0 | 109.8 | N154 H175 I179 C195 R196 | N154-D177 WeakPolarHBondContact ND2-CA 3.46Å; N154-D177 PolarHBondContact ND2-O 2.89Å; N154-D177 PolarHBondContact OD1-O 2.81Å; H175-D177 PolarHBondContact O-N 3.31Å; D177-I179 PolarHBondContact O-N 3.5Å; D177-C195 PolarHBondContact O-SG 3.11Å; D177-C195 VanDerWaalsContact O-SG 3.35Å; D177-R196 HydrophobicContact CB-CB 3.97Å; D177-R196 HydrophobicContact CB-CG 4.5Å; D177-R196 WeakPolarHBondContact OD1-CD 3.37Å; D177-R196 IonicContact OD1-NH1 2.78Å; D177-R196 WeakPolarHBondContact OD2-CG 3.25Å; D177-R196 IonicContact OD2-NH1 3.1Å |
| 178 | T | 98 | Very high | 97.4 | Very high | 40 Ų | 40 | 39.5 Ų | 39.5 | 25% | 0.245 | 21% | 0.212 | C | C | . | . | trans | -52.5 | 123.7 | -172.1 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | N154 Y180 C195 R196 | N154-T178 WeakPolarHBondContact OD1-CA 3.35Å; N154-T178 PolarHBondContact OD1-N 3.12Å; T178-Y180 HydrophobicContact CG2-CD1 4.29Å; T178-Y180 HydrophobicContact CG2-CE1 4.22Å; T178-Y180 PolarHBondContact O-N 3.02Å; T178-C195 WeakPolarHBondContact O-CA 3.16Å; T178-R196 WeakPolarHBondContact O-CB 3.49Å; T178-R196 PolarHBondContact O-N 3.39Å | ||
| 179 | I | 98.7 | Very high | 97.3 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 6% | 0.056 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 118 | 171.4 | -58.3 | 165.9 | 0 | 0 | 0 | 108.1 | I136 A150 I156 H175 D177 V182 | I136-I179 HydrophobicContact CD1-CG2 4.06Å; A150-I179 HydrophobicContact CB-CD1 4.24Å; A150-I179 HydrophobicContact CB-CG2 4.46Å; I156-I179 HydrophobicContact CD1-CD1 4.08Å; I156-I179 HydrophobicContact CG1-CD1 3.61Å; H175-I179 HydrophobicContact CB-CD1 4.02Å; H175-I179 HydrophobicContact CB-CG1 3.78Å; D177-I179 PolarHBondContact O-N 3.5Å; I179-V182 HydrophobicContact CG2-CG2 3.64Å |
| 180 | Y | 98.5 | Very high | 97.4 | Very high | 35 Ų | 35 | 37.3 Ų | 37.3 | 14% | 0.137 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -45.3 | 179.1 | -68.1 | -45.2 | 0 | 0 | 0 | 112.3 | T178 S194 R196 P223 V224 R225 | T178-Y180 HydrophobicContact CG2-CD1 4.29Å; T178-Y180 HydrophobicContact CG2-CE1 4.22Å; T178-Y180 PolarHBondContact O-N 3.02Å; Y180-S194 PolarHBondContact N-O 2.84Å; Y180-R196 HydrophobicContact CE1-CB 4.3Å; Y180-R196 VanDerWaalsContact CE2-CA 3.42Å; Y180-R196 HydrophobicContact CE2-CB 3.74Å; Y180-R196 HydrophobicContact CE2-CG 4.31Å; Y180-R196 WeakPolarHBondContact OH-CB 3.46Å; Y180-R196 VanDerWaalsContact OH-CD 3.31Å; Y180-R196 WeakPolarHBondContact OH-CD 3.38Å; Y180-R196 WeakPolarHBondContact OH-CG 3.41Å; Y180-P223 HydrophobicContact CD1-CB 3.84Å; Y180-P223 HydrophobicContact CD1-CG 4.22Å; Y180-P223 HydrophobicContact CD2-CB 4.07Å; Y180-P223 HydrophobicContact CE1-CB 3.88Å; Y180-P223 HydrophobicContact CE1-CG 3.84Å; Y180-P223 HydrophobicContact CE2-CB 4.06Å; Y180-P223 HydrophobicContact CG-CB 3.95Å; Y180-V224 WeakPolarHBondContact CB-O 3.25Å; Y180-R225 PolarHBondContact O-NH1 3.1Å; Y180-R225 PolarHBondContact O-NH2 2.94Å |
| 181 | S | 98.5 | Very high | 97.4 | Very high | 12 Ų | 12 | 37.3 Ų | 37.3 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 152.2 | 179.2 | 63.1 | 0 | 0 | 0 | 0 | 111.6 | T193 S194 A226 | S181-T193 VanDerWaalsContact O-CA 3.28Å; S181-T193 WeakPolarHBondContact O-CA 3.49Å; S181-S194 PolarHBondContact N-O 2.85Å; S181-S194 PolarHBondContact O-N 2.79Å; S181-S194 WeakPolarHBondContact OG-CB 3.24Å; S181-A226 PolarHBondContact OG-N 2.81Å; S181-A226 VanDerWaalsContact OG-N 3.09Å |
| 182 | V | 98.8 | Very high | 97.6 | Very high | 14 Ų | 14 | 36.9 Ų | 36.9 | 9% | 0.085 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 133.2 | 168.5 | -173.9 | 0 | 0 | 0 | 0 | 107.3 | I136 L148 A150 I156 I179 I191 C192 T193 | I136-V182 HydrophobicContact CD1-CG2 4.32Å; I136-V182 HydrophobicContact CG2-CB 4.25Å; I136-V182 HydrophobicContact CG2-CG2 4.4Å; L148-V182 HydrophobicContact CD1-CG1 3.81Å; L148-V182 HydrophobicContact CD2-CB 4.05Å; L148-V182 HydrophobicContact CD2-CG1 3.7Å; L148-V182 HydrophobicContact CD2-CG2 4.36Å; L148-V182 HydrophobicContact CG-CG1 4.46Å; A150-V182 HydrophobicContact CB-CG2 4.07Å; I156-V182 HydrophobicContact CD1-CG2 3.99Å; I179-V182 HydrophobicContact CG2-CG2 3.64Å; V182-I191 HydrophobicContact CG1-CB 4.17Å; V182-I191 HydrophobicContact CG1-CD1 4.39Å; V182-I191 HydrophobicContact CG1-CG2 4.44Å; V182-C192 CarbonylContact C-O 3.6Å; V182-C192 VanDerWaalsContact CA-O 3.3Å; V182-C192 WeakPolarHBondContact CA-O 3.48Å; V182-T193 HydrophobicContact CB-CG2 4.49Å; V182-T193 HydrophobicContact CG1-CG2 4.1Å; V182-T193 HydrophobicContact CG2-CG2 4.09Å |
| 183 | D | 98.8 | Very high | 97.8 | Very high | 48 Ų | 48 | 33.7 Ų | 33.7 | 26% | 0.257 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 140.2 | 178.2 | -173.5 | 43.3 | 0 | 0 | 0 | 110.5 | I191 C192 V227 F228 | D183-I191 CarbonylContact O-C 3.42Å; D183-I191 VanDerWaalsContact O-CA 3.27Å; D183-I191 WeakPolarHBondContact O-CA 3.41Å; D183-C192 PolarHBondContact N-O 3.17Å; D183-C192 PolarHBondContact O-N 3.1Å; D183-V227 HydrophobicContact CB-CG1 4.27Å; D183-V227 VanDerWaalsContact OD2-CA 3.28Å; D183-V227 WeakPolarHBondContact OD2-CA 3.35Å; D183-V227 WeakPolarHBondContact OD2-CB 3.39Å; D183-F228 PolarHBondContact OD2-N 3.21Å |
| 184 | W | 98.6 | Very high | 98 | Very high | 16 Ų | 16 | 26.8 Ų | 26.8 | 6% | 0.061 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 141.5 | 178.1 | -77.5 | 107.4 | 0 | 0 | 0 | 110.6 | A138 H140 P141 L148 G188 I191 P205 W379 | A138-W184 PolarHBondContact O-NE1 3.29Å; H140-W184 AromaticContact CD2-CH2 3.66Å; H140-W184 AromaticContact CD2-CZ2 3.87Å; H140-W184 AromaticContact CD2-CZ3 3.73Å; P141-W184 HydrophobicContact CG-CB 4.09Å; L148-W184 HydrophobicContact CB-CZ2 3.9Å; L148-W184 HydrophobicContact CD1-CH2 4.43Å; L148-W184 HydrophobicContact CD1-CZ2 3.72Å; L148-W184 HydrophobicContact CG-CZ2 4.47Å; W184-G188 WeakPolarHBondContact CZ3-O 3.31Å; W184-I191 HydrophobicContact CD2-CG2 3.7Å; W184-I191 HydrophobicContact CE3-CG2 3.39Å; W184-I191 HydrophobicContact CG-CG2 4.48Å; W184-I191 HydrophobicContact CH2-CG2 3.88Å; W184-I191 HydrophobicContact CZ2-CG2 4.17Å; W184-I191 HydrophobicContact CZ3-CG2 3.49Å; W184-I191 VanDerWaalsContact CZ3-CG2 3.49Å; W184-P205 HydrophobicContact CH2-CG 4Å; W184-P205 HydrophobicContact CZ3-CG 3.85Å; W184-W379 AromaticContact CH2-CH2 3.85Å; W184-W379 HydrophobicContact CH2-CH2 3.85Å; W184-W379 AromaticContact CH2-CZ2 3.68Å; W184-W379 HydrophobicContact CH2-CZ2 3.68Å; W184-W379 HydrophobicContact CZ3-CH2 4.46Å; W184-W379 AromaticContact CZ3-CZ2 3.84Å; W184-W379 HydrophobicContact CZ3-CZ2 3.84Å |
| 185 | S | 98 | Very high | 98.1 | Very high | 9 Ų | 9 | 25.9 Ų | 25.9 | 6% | 0.063 | 14% | 0.136 | C | C | . | . | trans | -63.1 | 161.1 | 166.2 | 63.1 | 0 | 0 | 0 | 0 | 110.5 | P141 D187 G188 G189 L190 F228 | P141-S185 WeakPolarHBondContact CG-O 3.43Å; S185-D187 WeakPolarHBondContact CB-OD1 3.36Å; S185-D187 PolarHBondContact O-N 2.91Å; S185-D187 VanDerWaalsContact O-N 3.08Å; S185-D187 PolarHBondContact OG-OD1 3.48Å; S185-G188 PolarHBondContact O-N 3.48Å; S185-G188 PolarHBondContact OG-N 3.25Å; S185-G189 PolarHBondContact OG-N 3.31Å; S185-L190 PolarHBondContact N-O 2.94Å; S185-L190 PolarHBondContact OG-N 3.02Å; S185-L190 PolarHBondContact OG-O 3.21Å; S185-F228 VanDerWaalsContact CA-CD2 3.48Å; S185-F228 VanDerWaalsContact N-CD2 3.35Å | ||
| 186 | R | 96.4 | Very high | 98.1 | Very high | 109 Ų | 109 | 32.5 Ų | 32.5 | 41% | 0.411 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -35.1 | -175.7 | -178.1 | 59.4 | 169.2 | -176.2 | -6.5 | 114.1 | D278 | R186-D278 IonicContact NH2-OD1 2.88Š|
| 187 | D | 96.1 | Very high | 98.1 | Very high | 58 Ų | 58 | 30.3 Ų | 30.3 | 31% | 0.31 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -9.8 | 177.4 | 60.5 | -6.2 | 0 | 0 | 0 | 113.9 | T142 S185 G189 | T142-D187 PolarHBondContact OG1-O 3.37Å; S185-D187 WeakPolarHBondContact CB-OD1 3.36Å; S185-D187 PolarHBondContact O-N 2.91Å; S185-D187 VanDerWaalsContact O-N 3.08Å; S185-D187 PolarHBondContact OG-OD1 3.48Å; D187-G189 VanDerWaalsContact C-N 3.28Å; D187-G189 PolarHBondContact OD1-N 2.92Å |
| 188 | G | 97.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 71.6 | 15.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | H140 W184 S185 L190 W379 | H140-G188 WeakPolarHBondContact NE2-CA 3.22Å; H140-G188 PolarHBondContact NE2-O 3.36Å; H140-G188 VanDerWaalsContact NE2-O 3.14Å; W184-G188 WeakPolarHBondContact CZ3-O 3.31Å; S185-G188 PolarHBondContact O-N 3.48Å; S185-G188 PolarHBondContact OG-N 3.25Å; G188-L190 VanDerWaalsContact C-N 3.32Å; G188-W379 PolarHBondContact O-NE1 3.4Å; G188-W379 VanDerWaalsContact O-NE1 3.12Å |
| 189 | G | 97.1 | Very high | 98.1 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 3% | 0.031 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -73.7 | -24 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S185 D187 P205 | S185-G189 PolarHBondContact OG-N 3.31Å; D187-G189 VanDerWaalsContact C-N 3.28Å; D187-G189 PolarHBondContact OD1-N 2.92Å; G189-P205 WeakPolarHBondContact O-CD 3.48Å |
| 190 | L | 98.4 | Very high | 98.1 | Very high | 53 Ų | 53 | 33.1 Ų | 33.1 | 28% | 0.277 | 15% | 0.148 | S | C | . | . | trans | -133.5 | 156.6 | -177.2 | -60.6 | 172.1 | 0 | 0 | 0 | 111.3 | S185 G188 I202 I203 E204 V211 F228 | S185-L190 PolarHBondContact N-O 2.94Å; S185-L190 PolarHBondContact OG-N 3.02Å; S185-L190 PolarHBondContact OG-O 3.21Å; G188-L190 VanDerWaalsContact C-N 3.32Å; L190-I202 HydrophobicContact CB-CG2 4.25Å; L190-I202 HydrophobicContact CD1-CG2 3.87Å; L190-I202 HydrophobicContact CD2-CG2 4.47Å; L190-I202 HydrophobicContact CG-CG2 4.44Å; L190-I203 CarbonylContact C-O 3.51Å; L190-I203 WeakPolarHBondContact CA-O 3.19Å; L190-E204 HydrophobicContact CD2-CB 3.86Å; L190-E204 HydrophobicContact CD2-CG 4.23Å; L190-V211 HydrophobicContact CD2-CG1 4.45Å; L190-V211 HydrophobicContact CD2-CG2 4.02Å; L190-F228 HydrophobicContact CB-CE2 4.44Å; L190-F228 HydrophobicContact CB-CZ 3.84Å | ||
| 191 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 143.1 | 165.4 | 61.6 | 175.8 | 0 | 0 | 0 | 110.6 | L148 I156 L170 V182 D183 W184 T193 I202 I203 P205 | L148-I191 HydrophobicContact CD1-CD1 4.32Å; L148-I191 HydrophobicContact CD1-CG2 3.94Å; I156-I191 HydrophobicContact CD1-CD1 4.08Å; L170-I191 HydrophobicContact CD2-CD1 4.2Å; V182-I191 HydrophobicContact CG1-CB 4.17Å; V182-I191 HydrophobicContact CG1-CD1 4.39Å; V182-I191 HydrophobicContact CG1-CG2 4.44Å; D183-I191 CarbonylContact O-C 3.42Å; D183-I191 VanDerWaalsContact O-CA 3.27Å; D183-I191 WeakPolarHBondContact O-CA 3.41Å; W184-I191 HydrophobicContact CD2-CG2 3.7Å; W184-I191 HydrophobicContact CE3-CG2 3.39Å; W184-I191 HydrophobicContact CG-CG2 4.48Å; W184-I191 HydrophobicContact CH2-CG2 3.88Å; W184-I191 HydrophobicContact CZ2-CG2 4.17Å; W184-I191 HydrophobicContact CZ3-CG2 3.49Å; W184-I191 VanDerWaalsContact CZ3-CG2 3.49Å; I191-T193 HydrophobicContact CD1-CG2 4.05Å; I191-T193 HydrophobicContact CG1-CG2 4.24Å; I191-I202 CarbonylContact O-C 3.48Å; I191-I202 WeakPolarHBondContact O-CA 3.45Å; I191-I203 HydrophobicContact CD1-CB 4.3Å; I191-I203 HydrophobicContact CG1-CB 3.78Å; I191-I203 HydrophobicContact CG1-CG2 4.49Å; I191-I203 PolarHBondContact N-O 3.3Å; I191-I203 PolarHBondContact O-N 2.6Å; I191-P205 HydrophobicContact CD1-CB 4.37Å; I191-P205 HydrophobicContact CG2-CG 4.46Å |
| 192 | C | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 123.5 | 171.5 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | V182 D183 R201 F228 | V182-C192 CarbonylContact C-O 3.6Å; V182-C192 VanDerWaalsContact CA-O 3.3Å; V182-C192 WeakPolarHBondContact CA-O 3.48Å; D183-C192 PolarHBondContact N-O 3.17Å; D183-C192 PolarHBondContact O-N 3.1Å; C192-R201 CarbonylContact C-O 3.58Å; C192-R201 WeakPolarHBondContact CA-O 3.49Å; C192-F228 HydrophobicContact CB-CD2 3.75Å; C192-F228 HydrophobicContact CB-CE1 4.4Å; C192-F228 HydrophobicContact CB-CE2 3.41Å; C192-F228 VanDerWaalsContact CB-CE2 3.41Å; C192-F228 HydrophobicContact CB-CG 4.41Å; C192-F228 HydrophobicContact CB-CZ 3.77Å; C192-F228 VanDerWaalsContact N-CE2 3.3Å |
| 193 | T | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 142.3 | -176.6 | 63.3 | 0 | 0 | 0 | 0 | 110.6 | I156 H175 S181 V182 I191 V200 R201 I203 | I156-T193 HydrophobicContact CD1-CG2 3.78Å; H175-T193 WeakPolarHBondContact NE2-CB 3.35Å; H175-T193 PolarHBondContact NE2-OG1 2.78Å; S181-T193 VanDerWaalsContact O-CA 3.28Å; S181-T193 WeakPolarHBondContact O-CA 3.49Å; V182-T193 HydrophobicContact CB-CG2 4.49Å; V182-T193 HydrophobicContact CG1-CG2 4.1Å; V182-T193 HydrophobicContact CG2-CG2 4.09Å; I191-T193 HydrophobicContact CD1-CG2 4.05Å; I191-T193 HydrophobicContact CG1-CG2 4.24Å; T193-V200 CarbonylContact O-C 3.53Å; T193-V200 WeakPolarHBondContact O-CA 3.34Å; T193-R201 PolarHBondContact N-O 3.24Å; T193-R201 PolarHBondContact O-N 2.77Å; T193-R201 WeakPolarHBondContact OG1-CB 3.37Å; T193-R201 PolarHBondContact OG1-O 3.04Å; T193-I203 HydrophobicContact CG2-CD1 4.1Å |
| 194 | S | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.4 | 171.5 | 174.5 | 0 | 0 | 0 | 0 | 109.3 | Y180 S181 V224 | Y180-S194 PolarHBondContact N-O 2.84Å; S181-S194 PolarHBondContact N-O 2.85Å; S181-S194 PolarHBondContact O-N 2.79Å; S181-S194 WeakPolarHBondContact OG-CB 3.24Å; S194-V224 VanDerWaalsContact CB-O 3.29Å; S194-V224 WeakPolarHBondContact CB-O 3.35Å; S194-V224 WeakPolarHBondContact OG-CB 3.47Å; S194-V224 PolarHBondContact OG-O 3.49Å |
| 195 | C | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 153 | -172.4 | -179.9 | 0 | 0 | 0 | 0 | 112 | D177 T178 D197 K198 R199 | D177-C195 PolarHBondContact O-SG 3.11Å; D177-C195 VanDerWaalsContact O-SG 3.35Å; T178-C195 WeakPolarHBondContact O-CA 3.16Å; C195-D197 WeakPolarHBondContact CB-OD1 3.49Å; C195-D197 PolarHBondContact O-N 2.81Å; C195-D197 PolarHBondContact SG-OD1 2.94Å; C195-K198 PolarHBondContact O-N 3.16Å; C195-R199 PolarHBondContact N-O 2.93Å |
| 196 | R | 98.1 | Very high | 98 | Very high | 138 Ų | 138 | 30.6 Ų | 30.6 | 52% | 0.521 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -18.5 | 177.7 | -177.2 | 166.7 | -174.7 | -130.3 | 6.4 | 114.4 | D177 T178 Y180 K198 | D177-R196 HydrophobicContact CB-CB 3.97Å; D177-R196 HydrophobicContact CB-CG 4.5Å; D177-R196 WeakPolarHBondContact OD1-CD 3.37Å; D177-R196 IonicContact OD1-NH1 2.78Å; D177-R196 WeakPolarHBondContact OD2-CG 3.25Å; D177-R196 IonicContact OD2-NH1 3.1Å; T178-R196 WeakPolarHBondContact O-CB 3.49Å; T178-R196 PolarHBondContact O-N 3.39Å; Y180-R196 HydrophobicContact CE1-CB 4.3Å; Y180-R196 VanDerWaalsContact CE2-CA 3.42Å; Y180-R196 HydrophobicContact CE2-CB 3.74Å; Y180-R196 HydrophobicContact CE2-CG 4.31Å; Y180-R196 WeakPolarHBondContact OH-CB 3.46Å; Y180-R196 VanDerWaalsContact OH-CD 3.31Å; Y180-R196 WeakPolarHBondContact OH-CD 3.38Å; Y180-R196 WeakPolarHBondContact OH-CG 3.41Å; R196-K198 PolarHBondContact O-N 3.48Å |
| 197 | D | 97.6 | Very high | 97.9 | Very high | 40 Ų | 40 | 33.1 Ų | 33.1 | 21% | 0.214 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 3.3 | 167.3 | 73.2 | -9.6 | 0 | 0 | 0 | 113.6 | P176 C195 R199 R201 | P176-D197 HydrophobicContact CG-CB 4.18Å; C195-D197 WeakPolarHBondContact CB-OD1 3.49Å; C195-D197 PolarHBondContact O-N 2.81Å; C195-D197 PolarHBondContact SG-OD1 2.94Å; D197-R199 VanDerWaalsContact C-N 3.3Å; D197-R199 WeakPolarHBondContact OD1-CB 3.42Å; D197-R199 PolarHBondContact OD1-N 2.9Å; D197-R201 IonicContact OD1-NH1 3.83Å; D197-R201 PolarHBondContact OD1-NH1 3.38Å; D197-R201 IonicContact OD2-CZ 2.74Å; D197-R201 VanDerWaalsContact OD2-CZ 3.29Å; D197-R201 IonicContact OD2-NH1 2.89Å; D197-R201 PolarHBondContact OD2-NH1 2.94Å; D197-R201 IonicContact OD2-NH2 3.22Å; D197-R201 PolarHBondContact OD2-NH2 3.29Å |
| 198 | K | 97.4 | Very high | 97.8 | Very high | 63 Ų | 63 | 33.2 Ų | 33.2 | 27% | 0.274 | 15% | 0.149 | S | C | . | . | S | Bend | trans | 69.5 | 19.5 | -178.6 | -53.3 | -170.1 | 174.4 | -155.1 | 0 | 114 | C195 R196 R216 P217 E219 G220 | C195-K198 PolarHBondContact O-N 3.16Å; R196-K198 PolarHBondContact O-N 3.48Å; K198-R216 HydrophobicContact CB-CG 4.01Å; K198-R216 HydrophobicContact CD-CG 4.17Å; K198-R216 VanDerWaalsContact O-CA 3.29Å; K198-R216 WeakPolarHBondContact O-CA 3.14Å; K198-R216 PolarHBondContact O-N 3.45Å; K198-P217 WeakPolarHBondContact O-CD 3.44Å; K198-E219 PolarHBondContact NZ-O 2.85Å; K198-G220 WeakPolarHBondContact CE-O 3.3Å; K198-G220 PolarHBondContact NZ-O 2.99Å |
| 199 | R | 98.4 | Very high | 97.8 | Very high | 93 Ų | 93 | 36.4 Ų | 36.4 | 35% | 0.351 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 139.3 | 175.8 | -68.1 | 166.6 | 177 | -159.5 | 15 | 111.6 | C195 D197 E213 K214 D215 | C195-R199 PolarHBondContact N-O 2.93Å; D197-R199 VanDerWaalsContact C-N 3.3Å; D197-R199 WeakPolarHBondContact OD1-CB 3.42Å; D197-R199 PolarHBondContact OD1-N 2.9Å; R199-E213 HydrophobicContact CB-CG 4.31Å; R199-E213 VanDerWaalsContact CD-OE1 3.26Å; R199-E213 WeakPolarHBondContact CD-OE1 3.27Å; R199-E213 HydrophobicContact CG-CG 4.45Å; R199-E213 IonicContact CZ-OE1 3.5Å; R199-E213 VanDerWaalsContact CZ-OE1 3.29Å; R199-E213 IonicContact NE-OE1 3.4Å; R199-E213 PolarHBondContact NE-OE1 2.87Å; R199-E213 IonicContact NH1-OE1 3.48Å; R199-E213 PolarHBondContact NH1-OE1 2.88Å; R199-E213 IonicContact NH1-OE2 2.79Å; R199-K214 VanDerWaalsContact CA-O 3.32Å; R199-K214 WeakPolarHBondContact CA-O 3.47Å; R199-D215 HydrophobicContact CG-CB 4.39Å; R199-D215 WeakPolarHBondContact CG-OD1 3.32Å; R199-D215 IonicContact NE-OD1 3.6Å |
| 200 | V | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 125.5 | 166.3 | 169.6 | 0 | 0 | 0 | 0 | 108.1 | T193 E213 K214 P217 V224 A226 I234 T236 | T193-V200 CarbonylContact O-C 3.53Å; T193-V200 WeakPolarHBondContact O-CA 3.34Å; V200-E213 CarbonylContact O-C 3.5Å; V200-E213 WeakPolarHBondContact O-CA 3.36Å; V200-K214 PolarHBondContact N-O 3.47Å; V200-K214 PolarHBondContact O-N 3.32Å; V200-P217 HydrophobicContact CG2-CG 3.79Å; V200-V224 HydrophobicContact CG2-CG1 4.19Å; V200-A226 HydrophobicContact CG1-CB 3.91Å; V200-A226 HydrophobicContact CG2-CB 4.19Å; V200-I234 HydrophobicContact CG1-CD1 3.71Å; V200-T236 HydrophobicContact CG2-CG2 4.28Å |
| 201 | R | 98.7 | Very high | 97.8 | Very high | 13 Ų | 13 | 40.4 Ų | 40.4 | 5% | 0.049 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136.9 | -174.9 | -63.4 | 175 | 176.3 | 91.2 | -8.3 | 111 | C192 T193 D197 I203 V210 E213 | C192-R201 CarbonylContact C-O 3.58Å; C192-R201 WeakPolarHBondContact CA-O 3.49Å; T193-R201 PolarHBondContact N-O 3.24Å; T193-R201 PolarHBondContact O-N 2.77Å; T193-R201 WeakPolarHBondContact OG1-CB 3.37Å; T193-R201 PolarHBondContact OG1-O 3.04Å; D197-R201 IonicContact OD1-NH1 3.83Å; D197-R201 PolarHBondContact OD1-NH1 3.38Å; D197-R201 IonicContact OD2-CZ 2.74Å; D197-R201 VanDerWaalsContact OD2-CZ 3.29Å; D197-R201 IonicContact OD2-NH1 2.89Å; D197-R201 PolarHBondContact OD2-NH1 2.94Å; D197-R201 IonicContact OD2-NH2 3.22Å; D197-R201 PolarHBondContact OD2-NH2 3.29Å; R201-I203 HydrophobicContact CB-CD1 4Å; R201-I203 HydrophobicContact CB-CG1 3.89Å; R201-V210 HydrophobicContact CB-CG1 4.22Å; R201-V210 HydrophobicContact CG-CG1 4.26Å; R201-E213 HydrophobicContact CG-CB 4.45Å; R201-E213 HydrophobicContact CG-CG 3.96Å; R201-E213 WeakPolarHBondContact CG-OE2 3.17Å; R201-E213 IonicContact CZ-OE2 3.23Å; R201-E213 IonicContact NE-OE2 3.82Å; R201-E213 PolarHBondContact NE-OE2 2.9Å; R201-E213 IonicContact NH2-OE2 2.86Å |
| 202 | I | 98.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.4 | 168.1 | -54.2 | -178 | 0 | 0 | 0 | 106.5 | L190 I191 V210 V211 A212 F228 I234 T252 | L190-I202 HydrophobicContact CB-CG2 4.25Å; L190-I202 HydrophobicContact CD1-CG2 3.87Å; L190-I202 HydrophobicContact CD2-CG2 4.47Å; L190-I202 HydrophobicContact CG-CG2 4.44Å; I191-I202 CarbonylContact O-C 3.48Å; I191-I202 WeakPolarHBondContact O-CA 3.45Å; I202-V210 CarbonylContact O-C 3.57Å; I202-V211 HydrophobicContact CB-CG2 3.85Å; I202-V211 HydrophobicContact CG2-CG2 3.47Å; I202-V211 VanDerWaalsContact CG2-CG2 3.47Å; I202-V211 VanDerWaalsContact O-CG2 3.32Å; I202-V211 WeakPolarHBondContact O-CG2 3.36Å; I202-V211 PolarHBondContact O-N 3.26Å; I202-A212 HydrophobicContact CB-CB 4.18Å; I202-A212 HydrophobicContact CD1-CB 4.12Å; I202-A212 HydrophobicContact CG1-CB 4.35Å; I202-A212 PolarHBondContact N-O 3.33Å; I202-A212 PolarHBondContact O-N 3.16Å; I202-F228 HydrophobicContact CG2-CE1 4.26Å; I202-F228 HydrophobicContact CG2-CZ 3.99Å; I202-I234 HydrophobicContact CD1-CG2 4.16Å; I202-T252 HydrophobicContact CD1-CG2 3.22Å |
| 203 | I | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134.2 | -168.3 | -53.5 | 169 | 0 | 0 | 0 | 108.7 | L170 V174 L190 I191 T193 R201 P205 T209 V210 | L170-I203 HydrophobicContact CD2-CD1 4.3Å; L170-I203 HydrophobicContact CD2-CG2 3.82Å; V174-I203 HydrophobicContact CG1-CD1 3.84Å; L190-I203 CarbonylContact C-O 3.51Å; L190-I203 WeakPolarHBondContact CA-O 3.19Å; I191-I203 HydrophobicContact CD1-CB 4.3Å; I191-I203 HydrophobicContact CG1-CB 3.78Å; I191-I203 HydrophobicContact CG1-CG2 4.49Å; I191-I203 PolarHBondContact N-O 3.3Å; I191-I203 PolarHBondContact O-N 2.6Å; T193-I203 HydrophobicContact CG2-CD1 4.1Å; R201-I203 HydrophobicContact CB-CD1 4Å; R201-I203 HydrophobicContact CB-CG1 3.89Å; I203-P205 WeakPolarHBondContact O-CD 3.38Å; I203-T209 CarbonylContact C-O 3.57Å; I203-T209 WeakPolarHBondContact CA-O 3.41Å; I203-V210 HydrophobicContact CG1-CG2 4.24Å |
| 204 | E | 98.1 | Very high | 97.7 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 9% | 0.093 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 108.3 | 162.6 | -161.8 | -64.9 | 123.5 | 0 | 0 | 107.1 | L190 R206 K207 C208 T209 V211 | L190-E204 HydrophobicContact CD2-CB 3.86Å; L190-E204 HydrophobicContact CD2-CG 4.23Å; E204-R206 PolarHBondContact O-N 3.09Å; E204-R206 VanDerWaalsContact OE1-CB 3.32Å; E204-R206 WeakPolarHBondContact OE1-CB 3.33Å; E204-R206 IonicContact OE1-CZ 2.75Å; E204-R206 PolarHBondContact OE1-N 3.43Å; E204-R206 VanDerWaalsContact OE1-N 3.15Å; E204-R206 IonicContact OE1-NE 3.26Å; E204-R206 PolarHBondContact OE1-NE 3.47Å; E204-R206 IonicContact OE1-NH2 2.74Å; E204-R206 PolarHBondContact OE1-NH2 3.42Å; E204-R206 PolarHBondContact OE2-N 2.93Å; E204-K207 WeakPolarHBondContact OE2-CA 3.44Å; E204-K207 WeakPolarHBondContact OE2-CB 3.21Å; E204-K207 WeakPolarHBondContact OE2-CG 3.27Å; E204-K207 PolarHBondContact OE2-N 3.45Å; E204-C208 PolarHBondContact O-N 2.96Å; E204-C208 VanDerWaalsContact O-N 3.14Å; E204-T209 PolarHBondContact N-O 3.26Å; E204-T209 PolarHBondContact O-N 3.22Å; E204-T209 VanDerWaalsContact O-N 3.08Å; E204-V211 HydrophobicContact CB-CG1 4.18Å |
| 205 | P | 97.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -26.3 | -166.4 | 28.8 | -34.8 | 0 | 0 | 0 | 113.3 | L168 L170 W184 G189 I191 I203 K207 C208 W379 | L168-P205 HydrophobicContact CD1-CB 4.39Å; L170-P205 HydrophobicContact CD1-CB 4.48Å; W184-P205 HydrophobicContact CH2-CG 4Å; W184-P205 HydrophobicContact CZ3-CG 3.85Å; G189-P205 WeakPolarHBondContact O-CD 3.48Å; I191-P205 HydrophobicContact CD1-CB 4.37Å; I191-P205 HydrophobicContact CG2-CG 4.46Å; I203-P205 WeakPolarHBondContact O-CD 3.38Å; P205-K207 VanDerWaalsContact C-N 3.33Å; P205-K207 PolarHBondContact O-N 2.89Å; P205-C208 PolarHBondContact O-N 3.32Å; P205-W379 HydrophobicContact CG-CH2 4.3Å; P205-W379 HydrophobicContact CG-CZ2 4.01Å |
| 206 | R | 97.1 | Very high | 97.7 | Very high | 42 Ų | 42 | 55.9 Ų | 55.9 | 16% | 0.158 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -29.8 | -177 | -63.9 | 164.8 | -68.4 | -164.2 | -5.5 | 112.2 | L168 E204 W379 R383 D384 | L168-R206 HydrophobicContact CD1-CG 4.03Å; E204-R206 PolarHBondContact O-N 3.09Å; E204-R206 VanDerWaalsContact OE1-CB 3.32Å; E204-R206 WeakPolarHBondContact OE1-CB 3.33Å; E204-R206 IonicContact OE1-CZ 2.75Å; E204-R206 PolarHBondContact OE1-N 3.43Å; E204-R206 VanDerWaalsContact OE1-N 3.15Å; E204-R206 IonicContact OE1-NE 3.26Å; E204-R206 PolarHBondContact OE1-NE 3.47Å; E204-R206 IonicContact OE1-NH2 2.74Å; E204-R206 PolarHBondContact OE1-NH2 3.42Å; E204-R206 PolarHBondContact OE2-N 2.93Å; R206-W379 WeakPolarHBondContact CD-O 3.35Å; R206-W379 HydrophobicContact CG-CH2 3.97Å; R206-W379 HydrophobicContact CG-CZ2 3.95Å; R206-W379 HydrophobicContact CG-CZ3 4.35Å; R206-W379 PolarHBondContact NH1-O 2.92Å; R206-W379 VanDerWaalsContact NH1-O 3.09Å; R206-R383 PolarHBondContact NH1-O 2.9Å; R206-D384 IonicContact CZ-OD1 2.74Å; R206-D384 IonicContact NH1-OD1 3.92Å; R206-D384 PolarHBondContact NH1-OD1 2.66Å; R206-D384 IonicContact NH2-OD1 2.94Å; R206-D384 PolarHBondContact NH2-OD1 2.71Å; R206-D384 IonicContact NH2-OD2 2.66Å; R206-D384 PolarHBondContact NH2-OD2 2.87Å |
| 207 | K | 95.5 | Very high | 97.7 | Very high | 162 Ų | 162 | 49.8 Ų | 49.8 | 70% | 0.704 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | 2.6 | 177.1 | -60.2 | 170 | -177 | 173.7 | 0 | 112.8 | E204 P205 T209 | E204-K207 WeakPolarHBondContact OE2-CA 3.44Å; E204-K207 WeakPolarHBondContact OE2-CB 3.21Å; E204-K207 WeakPolarHBondContact OE2-CG 3.27Å; E204-K207 PolarHBondContact OE2-N 3.45Å; P205-K207 VanDerWaalsContact C-N 3.33Å; P205-K207 PolarHBondContact O-N 2.89Å; K207-T209 WeakPolarHBondContact CB-OG1 3.21Å; K207-T209 PolarHBondContact O-N 2.82Å; K207-T209 VanDerWaalsContact O-N 3.14Å; K207-T209 PolarHBondContact O-OG1 3.15Å; K207-T209 VanDerWaalsContact O-OG1 3.1Å |
| 208 | C | 93.6 | Very high | 97.7 | Very high | 60 Ų | 60 | 48.2 Ų | 48.2 | 41% | 0.405 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 38.9 | -173.8 | -59.3 | 0 | 0 | 0 | 0 | 112.9 | E204 P205 | E204-C208 PolarHBondContact O-N 2.96Å; E204-C208 VanDerWaalsContact O-N 3.14Å; P205-C208 PolarHBondContact O-N 3.32Å |
| 209 | T | 96.7 | Very high | 97.7 | Very high | 67 Ų | 67 | 50.1 Ų | 50.1 | 41% | 0.411 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 122 | -173.2 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | I203 E204 K207 V211 | I203-T209 CarbonylContact C-O 3.57Å; I203-T209 WeakPolarHBondContact CA-O 3.41Å; E204-T209 PolarHBondContact N-O 3.26Å; E204-T209 PolarHBondContact O-N 3.22Å; E204-T209 VanDerWaalsContact O-N 3.08Å; K207-T209 WeakPolarHBondContact CB-OG1 3.21Å; K207-T209 PolarHBondContact O-N 2.82Å; K207-T209 VanDerWaalsContact O-N 3.14Å; K207-T209 PolarHBondContact O-OG1 3.15Å; K207-T209 VanDerWaalsContact O-OG1 3.1Å; T209-V211 HydrophobicContact CG2-CG1 4.46Å; T209-V211 PolarHBondContact O-N 3.2Å |
| 210 | V | 98 | Very high | 97.5 | Very high | 59 Ų | 59 | 46.1 Ų | 46.1 | 36% | 0.358 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 109.3 | 170.1 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | R201 I202 I203 E213 | R201-V210 HydrophobicContact CB-CG1 4.22Å; R201-V210 HydrophobicContact CG-CG1 4.26Å; I202-V210 CarbonylContact O-C 3.57Å; I203-V210 HydrophobicContact CG1-CG2 4.24Å; V210-E213 HydrophobicContact CG1-CB 4.14Å |
| 211 | V | 97.8 | Very high | 97.2 | Very high | 82 Ų | 82 | 52.1 Ų | 52.1 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -26.6 | -177.6 | -60.3 | 0 | 0 | 0 | 0 | 112.7 | L190 I202 E204 T209 | L190-V211 HydrophobicContact CD2-CG1 4.45Å; L190-V211 HydrophobicContact CD2-CG2 4.02Å; I202-V211 HydrophobicContact CB-CG2 3.85Å; I202-V211 HydrophobicContact CG2-CG2 3.47Å; I202-V211 VanDerWaalsContact CG2-CG2 3.47Å; I202-V211 VanDerWaalsContact O-CG2 3.32Å; I202-V211 WeakPolarHBondContact O-CG2 3.36Å; I202-V211 PolarHBondContact O-N 3.26Å; E204-V211 HydrophobicContact CB-CG1 4.18Å; T209-V211 HydrophobicContact CG2-CG1 4.46Å; T209-V211 PolarHBondContact O-N 3.2Å |
| 212 | A | 97.9 | Very high | 97.1 | Very high | 20 Ų | 20 | 56.4 Ų | 56.4 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 148.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | I202 L255 | I202-A212 HydrophobicContact CB-CB 4.18Å; I202-A212 HydrophobicContact CD1-CB 4.12Å; I202-A212 HydrophobicContact CG1-CB 4.35Å; I202-A212 PolarHBondContact N-O 3.33Å; I202-A212 PolarHBondContact O-N 3.16Å; A212-L255 HydrophobicContact CB-CD1 3.82Å |
| 213 | E | 98.2 | Very high | 97 | Very high | 71 Ų | 71 | 57.3 Ų | 57.3 | 33% | 0.332 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 132.6 | -179.7 | -177.2 | 172.6 | 112.1 | 0 | 0 | 110.1 | R199 V200 R201 V210 | R199-E213 HydrophobicContact CB-CG 4.31Å; R199-E213 VanDerWaalsContact CD-OE1 3.26Å; R199-E213 WeakPolarHBondContact CD-OE1 3.27Å; R199-E213 HydrophobicContact CG-CG 4.45Å; R199-E213 IonicContact CZ-OE1 3.5Å; R199-E213 VanDerWaalsContact CZ-OE1 3.29Å; R199-E213 IonicContact NE-OE1 3.4Å; R199-E213 PolarHBondContact NE-OE1 2.87Å; R199-E213 IonicContact NH1-OE1 3.48Å; R199-E213 PolarHBondContact NH1-OE1 2.88Å; R199-E213 IonicContact NH1-OE2 2.79Å; V200-E213 CarbonylContact O-C 3.5Å; V200-E213 WeakPolarHBondContact O-CA 3.36Å; R201-E213 HydrophobicContact CG-CB 4.45Å; R201-E213 HydrophobicContact CG-CG 3.96Å; R201-E213 WeakPolarHBondContact CG-OE2 3.17Å; R201-E213 IonicContact CZ-OE2 3.23Å; R201-E213 IonicContact NE-OE2 3.82Å; R201-E213 PolarHBondContact NE-OE2 2.9Å; R201-E213 IonicContact NH2-OE2 2.86Å; V210-E213 HydrophobicContact CG1-CB 4.14Å |
| 214 | K | 98.5 | Very high | 97 | Very high | 32 Ų | 32 | 58 Ų | 58 | 14% | 0.139 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 114 | 167.5 | 174.5 | 56 | 176.3 | -171.7 | 0 | 109.5 | R199 V200 P217 W250 L255 E256 | R199-K214 VanDerWaalsContact CA-O 3.32Å; R199-K214 WeakPolarHBondContact CA-O 3.47Å; V200-K214 PolarHBondContact N-O 3.47Å; V200-K214 PolarHBondContact O-N 3.32Å; K214-P217 HydrophobicContact CG-CB 3.87Å; K214-P217 HydrophobicContact CG-CG 4.5Å; K214-W250 HydrophobicContact CD-CH2 4.39Å; K214-W250 HydrophobicContact CD-CZ3 4.06Å; K214-W250 VanDerWaalsContact CE-CZ3 3.46Å; K214-W250 HydrophobicContact CG-CH2 4.48Å; K214-W250 HydrophobicContact CG-CZ3 4.37Å; K214-L255 HydrophobicContact CB-CB 4.42Å; K214-L255 HydrophobicContact CB-CD1 4.29Å; K214-L255 HydrophobicContact CB-CD2 4.38Å; K214-L255 HydrophobicContact CD-CB 4.47Å; K214-L255 WeakPolarHBondContact CD-O 3.5Å; K214-L255 WeakPolarHBondContact CE-O 3.37Å; K214-L255 PolarHBondContact NZ-O 2.74Å; K214-E256 PolarHBondContact NZ-O 2.77Å |
| 215 | D | 98.3 | Very high | 97 | Very high | 76 Ų | 76 | 58.5 Ų | 58.5 | 41% | 0.406 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 129.2 | 164.9 | -170.7 | 49.6 | 0 | 0 | 0 | 110.2 | R199 | R199-D215 HydrophobicContact CG-CB 4.39Å; R199-D215 WeakPolarHBondContact CG-OD1 3.32Å; R199-D215 IonicContact NE-OD1 3.6Å |
| 216 | R | 97.9 | Very high | 97.1 | Very high | 128 Ų | 128 | 58.5 Ų | 58.5 | 48% | 0.483 | 30% | 0.298 | S | S | . | . | trans | 50.1 | 67.9 | 176.6 | -57.4 | 178.1 | -172.6 | -161.1 | 2.7 | 113.3 | K198 H218 | K198-R216 HydrophobicContact CB-CG 4.01Å; K198-R216 HydrophobicContact CD-CG 4.17Å; K198-R216 VanDerWaalsContact O-CA 3.29Å; K198-R216 WeakPolarHBondContact O-CA 3.14Å; K198-R216 PolarHBondContact O-N 3.45Å; R216-H218 PolarHBondContact O-N 2.64Å | ||
| 217 | P | 98.1 | Very high | 97.1 | Very high | 10 Ų | 10 | 57.4 Ų | 57.4 | 7% | 0.065 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -63.1 | -22.9 | 171.6 | 29 | -35.8 | 0 | 0 | 0 | 112.2 | K198 V200 K214 V224 T236 W250 | K198-P217 WeakPolarHBondContact O-CD 3.44Å; V200-P217 HydrophobicContact CG2-CG 3.79Å; K214-P217 HydrophobicContact CG-CB 3.87Å; K214-P217 HydrophobicContact CG-CG 4.5Å; P217-V224 HydrophobicContact CG-CG1 4.11Å; P217-T236 HydrophobicContact CB-CG2 4.48Å; P217-W250 HydrophobicContact CB-CH2 4.38Å; P217-W250 HydrophobicContact CB-CZ2 3.67Å; P217-W250 WeakPolarHBondContact O-CZ2 3.21Å |
| 218 | H | 98.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 51 Ų | 51 | 3% | 0.032 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -139.4 | 140.9 | 176.5 | -63.6 | -82.3 | 0 | 0 | 0 | 109.6 | R216 G220 V224 T236 F239 Q246 | R216-H218 PolarHBondContact O-N 2.64Å; H218-G220 VanDerWaalsContact C-N 3.35Å; H218-G220 PolarHBondContact O-N 3.01Å; H218-V224 HydrophobicContact CB-CG2 4.13Å; H218-T236 WeakPolarHBondContact NE2-CB 3.34Å; H218-T236 PolarHBondContact NE2-OG1 3.31Å; H218-F239 WeakPolarHBondContact CB-O 3.4Å; H218-Q246 PolarHBondContact ND1-OE1 3.27Å |
| 219 | E | 96.4 | Very high | 97.5 | Very high | 104 Ų | 104 | 48.9 Ų | 48.9 | 49% | 0.486 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -78.9 | -17 | -175.1 | -74.1 | -60.5 | 134.6 | 0 | 0 | 114.1 | K198 R241 | K198-E219 PolarHBondContact NZ-O 2.85Å; E219-R241 HydrophobicContact CB-CB 4.12Å |
| 220 | G | 94.9 | Very high | 97.1 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 9% | 0.093 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -63.9 | 174.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K198 H218 F239 S240 | K198-G220 WeakPolarHBondContact CE-O 3.3Å; K198-G220 PolarHBondContact NZ-O 2.99Å; H218-G220 VanDerWaalsContact C-N 3.35Å; H218-G220 PolarHBondContact O-N 3.01Å; G220-F239 WeakPolarHBondContact CA-O 3.34Å; G220-F239 PolarHBondContact N-O 2.75Å; G220-S240 VanDerWaalsContact CA-O 3.3Å; G220-S240 WeakPolarHBondContact CA-O 3.29Å |
| 221 | T | 92.6 | Very high | 96.6 | Very high | 127 Ų | 127 | 53 Ų | 53 | 78% | 0.779 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -105.5 | -6 | 179.2 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | ||
| 222 | R | 95.6 | Very high | 96.3 | Very high | 103 Ų | 103 | 51 Ų | 51 | 39% | 0.389 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -85.3 | 162.8 | -179.3 | -73 | 178.1 | -177.8 | -77 | -6.2 | 111.2 | F239 S243 S268 | R222-F239 HydrophobicContact CB-CB 4.17Å; R222-F239 HydrophobicContact CB-CD1 4.28Å; R222-F239 HydrophobicContact CB-CD2 3.22Å; R222-F239 HydrophobicContact CB-CE1 4.47Å; R222-F239 HydrophobicContact CB-CE2 3.51Å; R222-F239 HydrophobicContact CB-CG 3.64Å; R222-F239 HydrophobicContact CB-CZ 4.14Å; R222-F239 VanDerWaalsContact CD-CD1 3.41Å; R222-F239 HydrophobicContact CG-CD1 4.44Å; R222-F239 HydrophobicContact CG-CD2 4.2Å; R222-F239 HydrophobicContact CG-CE2 4.35Å; R222-F239 HydrophobicContact CG-CG 4.24Å; R222-S243 PolarHBondContact NE-OG 3.22Å; R222-S243 VanDerWaalsContact NE-OG 3.13Å; R222-S268 PolarHBondContact NH1-O 2.89Å |
| 223 | P | 97.1 | Very high | 96.3 | Very high | 24 Ų | 24 | 52.3 Ų | 52.3 | 16% | 0.156 | 27% | 0.265 | C | S | . | . | trans | -56.1 | 142.8 | -177.7 | -26.8 | 35.7 | 0 | 0 | 0 | 113.7 | Y180 V270 | Y180-P223 HydrophobicContact CD1-CB 3.84Å; Y180-P223 HydrophobicContact CD1-CG 4.22Å; Y180-P223 HydrophobicContact CD2-CB 4.07Å; Y180-P223 HydrophobicContact CE1-CB 3.88Å; Y180-P223 HydrophobicContact CE1-CG 3.84Å; Y180-P223 HydrophobicContact CE2-CB 4.06Å; Y180-P223 HydrophobicContact CG-CB 3.95Å; P223-V270 HydrophobicContact CB-CG1 4.44Å; P223-V270 HydrophobicContact CB-CG2 3.97Å; P223-V270 HydrophobicContact CG-CG2 3.95Å | ||
| 224 | V | 98.4 | Very high | 96.4 | Very high | 14 Ų | 14 | 49.1 Ų | 49.1 | 9% | 0.085 | 25% | 0.25 | C | C | . | . | trans | -105.1 | 136.9 | 170.9 | 172.9 | 0 | 0 | 0 | 0 | 108.3 | Y180 S194 V200 P217 H218 T236 T237 | Y180-V224 WeakPolarHBondContact CB-O 3.25Å; S194-V224 VanDerWaalsContact CB-O 3.29Å; S194-V224 WeakPolarHBondContact CB-O 3.35Å; S194-V224 WeakPolarHBondContact OG-CB 3.47Å; S194-V224 PolarHBondContact OG-O 3.49Å; V200-V224 HydrophobicContact CG2-CG1 4.19Å; P217-V224 HydrophobicContact CG-CG1 4.11Å; H218-V224 HydrophobicContact CB-CG2 4.13Å; V224-T236 HydrophobicContact CG1-CG2 4.48Å; V224-T237 CarbonylContact C-O 3.58Å; V224-T237 WeakPolarHBondContact CA-O 3.2Å; V224-T237 WeakPolarHBondContact CG1-O 3.47Å | ||
| 225 | R | 98.6 | Very high | 96.4 | Very high | 31 Ų | 31 | 47.6 Ų | 47.6 | 12% | 0.117 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 146.8 | 166.3 | -58.7 | -70 | 179.7 | 171.2 | -19.6 | 109 | D36 Y180 T236 T237 V270 L272 P273 | D36-R225 PolarHBondContact O-NH2 3.44Å; Y180-R225 PolarHBondContact O-NH1 3.1Å; Y180-R225 PolarHBondContact O-NH2 2.94Å; R225-T236 CarbonylContact O-C 3.51Å; R225-T236 WeakPolarHBondContact O-CA 3.42Å; R225-T236 WeakPolarHBondContact O-CB 2.99Å; R225-T237 WeakPolarHBondContact CB-OG1 3.3Å; R225-T237 PolarHBondContact N-O 2.78Å; R225-T237 PolarHBondContact O-N 3.45Å; R225-V270 HydrophobicContact CG-CG1 3.76Å; R225-L272 HydrophobicContact CG-CD2 4.37Å; R225-P273 HydrophobicContact CB-CG 4.27Å |
| 226 | A | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 136.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | S181 V200 L235 T236 | S181-A226 PolarHBondContact OG-N 2.81Å; S181-A226 VanDerWaalsContact OG-N 3.09Å; V200-A226 HydrophobicContact CG1-CB 3.91Å; V200-A226 HydrophobicContact CG2-CB 4.19Å; A226-L235 WeakPolarHBondContact CA-O 3.37Å; A226-T236 HydrophobicContact CB-CG2 3.93Å |
| 227 | V | 98.7 | Very high | 96.4 | Very high | 19 Ų | 19 | 37.9 Ų | 37.9 | 12% | 0.115 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 150.8 | 174.4 | -67.3 | 0 | 0 | 0 | 0 | 110.3 | D183 V229 I234 L235 P273 | D183-V227 HydrophobicContact CB-CG1 4.27Å; D183-V227 VanDerWaalsContact OD2-CA 3.28Å; D183-V227 WeakPolarHBondContact OD2-CA 3.35Å; D183-V227 WeakPolarHBondContact OD2-CB 3.39Å; V227-V229 HydrophobicContact CG2-CG1 4.27Å; V227-I234 CarbonylContact O-C 3.57Å; V227-I234 VanDerWaalsContact O-CA 3.31Å; V227-I234 WeakPolarHBondContact O-CA 3.4Å; V227-L235 HydrophobicContact CG2-CB 4.33Å; V227-L235 HydrophobicContact CG2-CD2 4.45Å; V227-L235 PolarHBondContact N-O 3.38Å; V227-L235 PolarHBondContact O-N 2.93Å; V227-P273 HydrophobicContact CB-CG 4.38Å; V227-P273 HydrophobicContact CG1-CG 3.74Å; V227-P273 HydrophobicContact CG2-CB 3.85Å; V227-P273 HydrophobicContact CG2-CG 3.74Å |
| 228 | F | 98.6 | Very high | 96.5 | Very high | 28 Ų | 28 | 37.6 Ų | 37.6 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 144.9 | 165.1 | -73.2 | -77.2 | 0 | 0 | 0 | 110 | D183 S185 L190 C192 I202 I234 | D183-F228 PolarHBondContact OD2-N 3.21Å; S185-F228 VanDerWaalsContact CA-CD2 3.48Å; S185-F228 VanDerWaalsContact N-CD2 3.35Å; L190-F228 HydrophobicContact CB-CE2 4.44Å; L190-F228 HydrophobicContact CB-CZ 3.84Å; C192-F228 HydrophobicContact CB-CD2 3.75Å; C192-F228 HydrophobicContact CB-CE1 4.4Å; C192-F228 HydrophobicContact CB-CE2 3.41Å; C192-F228 VanDerWaalsContact CB-CE2 3.41Å; C192-F228 HydrophobicContact CB-CG 4.41Å; C192-F228 HydrophobicContact CB-CZ 3.77Å; C192-F228 VanDerWaalsContact N-CE2 3.3Å; I202-F228 HydrophobicContact CG2-CE1 4.26Å; I202-F228 HydrophobicContact CG2-CZ 3.99Å; F228-I234 HydrophobicContact CD1-CG2 3.73Å; F228-I234 HydrophobicContact CE1-CG2 3.99Å; F228-I234 HydrophobicContact CG-CG2 4.4Å |
| 229 | V | 97.8 | Very high | 96.5 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 10% | 0.097 | 20% | 0.199 | C | C | . | . | trans | -124.2 | -137.9 | 174.9 | -63.6 | 0 | 0 | 0 | 0 | 109.6 | V227 K233 L235 L249 F275 I297 | V227-V229 HydrophobicContact CG2-CG1 4.27Å; V229-K233 HydrophobicContact CG2-CB 3.65Å; V229-K233 PolarHBondContact N-O 3.33Å; V229-K233 VanDerWaalsContact N-O 3.16Å; V229-L235 HydrophobicContact CG1-CB 3.56Å; V229-L235 HydrophobicContact CG2-CB 4.49Å; V229-L249 HydrophobicContact CG2-CD1 3.71Å; V229-F275 VanDerWaalsContact C-CZ 3.45Å; V229-F275 VanDerWaalsContact CA-CE1 3.4Å; V229-F275 HydrophobicContact CB-CD1 4.26Å; V229-F275 HydrophobicContact CB-CD2 3.89Å; V229-F275 HydrophobicContact CB-CE1 4.15Å; V229-F275 HydrophobicContact CB-CE2 3.78Å; V229-F275 HydrophobicContact CB-CG 4.13Å; V229-F275 HydrophobicContact CB-CZ 3.92Å; V229-F275 HydrophobicContact CG1-CB 4.2Å; V229-F275 HydrophobicContact CG1-CD1 4.33Å; V229-F275 HydrophobicContact CG1-CD2 3.72Å; V229-F275 HydrophobicContact CG1-CE2 4.14Å; V229-F275 HydrophobicContact CG1-CG 3.82Å; V229-I297 HydrophobicContact CB-CD1 3.71Å; V229-I297 HydrophobicContact CG1-CD1 3.77Å; V229-I297 HydrophobicContact CG2-CD1 3.93Å | ||
| 230 | S | 88.8 | Confident | 96.5 | Very high | 25 Ų | 25 | 32.9 Ų | 32.9 | 18% | 0.175 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -55 | 157.1 | 171.3 | -39.7 | 0 | 0 | 0 | 0 | 111.5 | G232 K233 N280 | S230-G232 PolarHBondContact O-N 3Å; S230-K233 WeakPolarHBondContact O-CB 3.2Å; S230-K233 PolarHBondContact O-N 3.28Å; S230-N280 PolarHBondContact OG-OD1 2.96Å |
| 231 | E | 87.6 | Confident | 96.6 | Very high | 187 Ų | 187 | 42.7 Ų | 42.7 | 87% | 0.874 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -46.6 | 132.1 | -172.9 | -65.7 | -171.8 | 169.7 | 0 | 0 | 114.1 | K233 | E231-K233 PolarHBondContact O-N 3.22Š|
| 232 | G | 91.8 | Very high | 96.7 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 40% | 0.402 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 13.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S230 T252 | S230-G232 PolarHBondContact O-N 3Å; G232-T252 VanDerWaalsContact C-OG1 3.31Å; G232-T252 WeakPolarHBondContact O-CB 3.4Å; G232-T252 VanDerWaalsContact O-CG2 3.3Å; G232-T252 WeakPolarHBondContact O-CG2 3.48Å; G232-T252 PolarHBondContact O-N 3.03Å; G232-T252 PolarHBondContact O-OG1 2.86Å |
| 233 | K | 97.9 | Very high | 96.7 | Very high | 49 Ų | 49 | 40.7 Ų | 40.7 | 21% | 0.213 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 152.9 | 179.5 | -60.2 | -176.8 | -165.4 | 73.4 | 0 | 112 | V229 S230 E231 L249 W250 L259 | V229-K233 HydrophobicContact CG2-CB 3.65Å; V229-K233 PolarHBondContact N-O 3.33Å; V229-K233 VanDerWaalsContact N-O 3.16Å; S230-K233 WeakPolarHBondContact O-CB 3.2Å; S230-K233 PolarHBondContact O-N 3.28Å; E231-K233 PolarHBondContact O-N 3.22Å; K233-L249 HydrophobicContact CB-CD1 4.27Å; K233-L249 HydrophobicContact CD-CD1 4.31Å; K233-L249 HydrophobicContact CD-CD2 4.36Å; K233-L249 HydrophobicContact CD-CG 4.45Å; K233-W250 WeakPolarHBondContact CA-O 3.42Å; K233-W250 VanDerWaalsContact CB-O 3.3Å; K233-W250 WeakPolarHBondContact CB-O 3.13Å; K233-L259 HydrophobicContact CD-CD1 3.91Å; K233-L259 HydrophobicContact CG-CD1 4.46Å |
| 234 | I | 98.7 | Very high | 96.8 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 152.1 | 169.3 | 60.5 | 173.5 | 0 | 0 | 0 | 109.5 | V200 I202 V227 F228 W250 T252 | V200-I234 HydrophobicContact CG1-CD1 3.71Å; I202-I234 HydrophobicContact CD1-CG2 4.16Å; V227-I234 CarbonylContact O-C 3.57Å; V227-I234 VanDerWaalsContact O-CA 3.31Å; V227-I234 WeakPolarHBondContact O-CA 3.4Å; F228-I234 HydrophobicContact CD1-CG2 3.73Å; F228-I234 HydrophobicContact CE1-CG2 3.99Å; F228-I234 HydrophobicContact CG-CG2 4.4Å; I234-W250 HydrophobicContact CD1-CB 4.42Å; I234-W250 HydrophobicContact CG1-CB 3.76Å; I234-W250 HydrophobicContact CG1-CG 4.25Å; I234-W250 PolarHBondContact N-O 3Å; I234-W250 VanDerWaalsContact N-O 3.11Å; I234-W250 PolarHBondContact O-N 3.22Å; I234-T252 HydrophobicContact CG1-CG2 4.39Å; I234-T252 HydrophobicContact CG2-CG2 3.85Å |
| 235 | L | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132 | 171.7 | -179.6 | 145.7 | 0 | 0 | 0 | 109.3 | A226 V227 V229 T237 V247 A248 P273 V282 L284 I297 L304 | A226-L235 WeakPolarHBondContact CA-O 3.37Å; V227-L235 HydrophobicContact CG2-CB 4.33Å; V227-L235 HydrophobicContact CG2-CD2 4.45Å; V227-L235 PolarHBondContact N-O 3.38Å; V227-L235 PolarHBondContact O-N 2.93Å; V229-L235 HydrophobicContact CG1-CB 3.56Å; V229-L235 HydrophobicContact CG2-CB 4.49Å; L235-T237 HydrophobicContact CD2-CG2 4.15Å; L235-V247 HydrophobicContact CD1-CG2 3.8Å; L235-V247 HydrophobicContact CD2-CG2 3.82Å; L235-V247 HydrophobicContact CG-CG2 3.83Å; L235-A248 CarbonylContact C-O 3.55Å; L235-A248 WeakPolarHBondContact CA-O 3.31Å; L235-P273 HydrophobicContact CD2-CB 3.78Å; L235-P273 HydrophobicContact CD2-CG 4.42Å; L235-V282 HydrophobicContact CD1-CB 4.24Å; L235-V282 HydrophobicContact CD1-CG1 3.72Å; L235-V282 HydrophobicContact CD1-CG2 4.04Å; L235-V282 HydrophobicContact CD2-CG2 4.18Å; L235-L284 HydrophobicContact CD2-CD2 4.42Å; L235-I297 HydrophobicContact CD1-CD1 4.21Å; L235-L304 HydrophobicContact CD1-CD1 4.18Å |
| 236 | T | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 143.7 | 175.2 | 64.7 | 0 | 0 | 0 | 0 | 111.2 | V200 P217 H218 V224 R225 A226 V247 A248 W250 | V200-T236 HydrophobicContact CG2-CG2 4.28Å; P217-T236 HydrophobicContact CB-CG2 4.48Å; H218-T236 WeakPolarHBondContact NE2-CB 3.34Å; H218-T236 PolarHBondContact NE2-OG1 3.31Å; V224-T236 HydrophobicContact CG1-CG2 4.48Å; R225-T236 CarbonylContact O-C 3.51Å; R225-T236 WeakPolarHBondContact O-CA 3.42Å; R225-T236 WeakPolarHBondContact O-CB 2.99Å; A226-T236 HydrophobicContact CB-CG2 3.93Å; T236-V247 CarbonylContact O-C 3.2Å; T236-V247 WeakPolarHBondContact O-CA 3.47Å; T236-A248 PolarHBondContact N-O 3.27Å; T236-A248 PolarHBondContact O-N 3.22Å; T236-W250 PolarHBondContact OG1-NE1 2.76Å |
| 237 | T | 98.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 141.3 | 163.5 | 65.9 | 0 | 0 | 0 | 0 | 108.4 | V224 R225 L235 Q246 L271 P273 L284 | V224-T237 CarbonylContact C-O 3.58Å; V224-T237 WeakPolarHBondContact CA-O 3.2Å; V224-T237 WeakPolarHBondContact CG1-O 3.47Å; R225-T237 WeakPolarHBondContact CB-OG1 3.3Å; R225-T237 PolarHBondContact N-O 2.78Å; R225-T237 PolarHBondContact O-N 3.45Å; L235-T237 HydrophobicContact CD2-CG2 4.15Å; T237-Q246 VanDerWaalsContact CA-O 3.31Å; T237-Q246 WeakPolarHBondContact CA-O 3.46Å; T237-L271 HydrophobicContact CG2-CB 4Å; T237-L271 PolarHBondContact OG1-O 2.92Å; T237-P273 HydrophobicContact CG2-CB 4.27Å; T237-P273 HydrophobicContact CG2-CG 4.34Å; T237-L284 HydrophobicContact CG2-CD1 4.48Å; T237-L284 HydrophobicContact CG2-CD2 3.81Å |
| 238 | G | 98.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.6 | -155.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R245 Q246 | G238-R245 WeakPolarHBondContact O-CA 3.43Å; G238-Q246 PolarHBondContact N-O 2.54Å; G238-Q246 PolarHBondContact O-N 3.09Å |
| 239 | F | 98.4 | Very high | 96.8 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 142.1 | -174.1 | -64.7 | -101.4 | 0 | 0 | 0 | 111.3 | H218 G220 R222 E244 R245 S267 V270 | H218-F239 WeakPolarHBondContact CB-O 3.4Å; G220-F239 WeakPolarHBondContact CA-O 3.34Å; G220-F239 PolarHBondContact N-O 2.75Å; R222-F239 HydrophobicContact CB-CB 4.17Å; R222-F239 HydrophobicContact CB-CD1 4.28Å; R222-F239 HydrophobicContact CB-CD2 3.22Å; R222-F239 HydrophobicContact CB-CE1 4.47Å; R222-F239 HydrophobicContact CB-CE2 3.51Å; R222-F239 HydrophobicContact CB-CG 3.64Å; R222-F239 HydrophobicContact CB-CZ 4.14Å; R222-F239 VanDerWaalsContact CD-CD1 3.41Å; R222-F239 HydrophobicContact CG-CD1 4.44Å; R222-F239 HydrophobicContact CG-CD2 4.2Å; R222-F239 HydrophobicContact CG-CE2 4.35Å; R222-F239 HydrophobicContact CG-CG 4.24Å; F239-E244 CarbonylContact C-O 3.54Å; F239-E244 WeakPolarHBondContact CA-O 3.43Å; F239-R245 HydrophobicContact CD1-CG 3.95Å; F239-R245 HydrophobicContact CE1-CG 3.53Å; F239-R245 HydrophobicContact CZ-CG 4.14Å; F239-S267 WeakPolarHBondContact CE1-O 3.49Å; F239-V270 HydrophobicContact CE2-CG2 4.4Å |
| 240 | S | 97.9 | Very high | 96.8 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | trans | -66.7 | 169.2 | 169.1 | 84.9 | 0 | 0 | 0 | 0 | 110.5 | G220 M242 S243 E244 Q246 | G220-S240 VanDerWaalsContact CA-O 3.3Å; G220-S240 WeakPolarHBondContact CA-O 3.29Å; S240-M242 PolarHBondContact O-N 2.78Å; S240-M242 PolarHBondContact OG-N 2.64Å; S240-M242 VanDerWaalsContact OG-N 3.15Å; S240-S243 PolarHBondContact O-N 3.13Å; S240-S243 PolarHBondContact OG-N 3.37Å; S240-E244 PolarHBondContact N-O 3.06Å; S240-E244 WeakPolarHBondContact OG-CB 2.87Å; S240-E244 PolarHBondContact OG-N 3.3Å; S240-E244 VanDerWaalsContact OG-N 3.08Å; S240-E244 PolarHBondContact OG-OE2 2.85Å; S240-Q246 VanDerWaalsContact CB-NE2 3.31Å | ||
| 241 | R | 96.4 | Very high | 97.2 | Very high | 216 Ų | 216 | 38.8 Ų | 38.8 | 82% | 0.815 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -30.7 | 171.9 | -173.9 | 175.1 | 177.9 | 173 | -0.3 | 112.3 | E219 S243 | E219-R241 HydrophobicContact CB-CB 4.12Å; R241-S243 PolarHBondContact O-N 3.42Å |
| 242 | M | 95.6 | Very high | 97.6 | Very high | 150 Ų | 150 | 31.2 Ų | 31.2 | 74% | 0.739 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 10 | 177.3 | -60.5 | -57.2 | -68.1 | 0 | 0 | 112.8 | S240 E244 | S240-M242 PolarHBondContact O-N 2.78Å; S240-M242 PolarHBondContact OG-N 2.64Å; S240-M242 VanDerWaalsContact OG-N 3.15Å; M242-E244 VanDerWaalsContact C-N 3.34Å |
| 243 | S | 95.6 | Very high | 97.8 | Very high | 38 Ų | 38 | 37.3 Ų | 37.3 | 27% | 0.266 | 17% | 0.172 | S | C | . | . | trans | 66.7 | 26.8 | -179.8 | -166.3 | 0 | 0 | 0 | 0 | 114.7 | R222 S240 R241 | R222-S243 PolarHBondContact NE-OG 3.22Å; R222-S243 VanDerWaalsContact NE-OG 3.13Å; S240-S243 PolarHBondContact O-N 3.13Å; S240-S243 PolarHBondContact OG-N 3.37Å; R241-S243 PolarHBondContact O-N 3.42Å | ||
| 244 | E | 97.9 | Very high | 97.7 | Very high | 59 Ų | 59 | 40.5 Ų | 40.5 | 28% | 0.276 | 19% | 0.188 | S | C | . | . | trans | -79.6 | 135.6 | 166.9 | -64.1 | 143 | 150.8 | 0 | 0 | 110.1 | F239 S240 M242 Q246 D265 T266 | F239-E244 CarbonylContact C-O 3.54Å; F239-E244 WeakPolarHBondContact CA-O 3.43Å; S240-E244 PolarHBondContact N-O 3.06Å; S240-E244 WeakPolarHBondContact OG-CB 2.87Å; S240-E244 PolarHBondContact OG-N 3.3Å; S240-E244 VanDerWaalsContact OG-N 3.08Å; S240-E244 PolarHBondContact OG-OE2 2.85Å; M242-E244 VanDerWaalsContact C-N 3.34Å; E244-Q246 PolarHBondContact O-N 3.48Å; E244-D265 CarbonylContact C-O 3.54Å; E244-D265 WeakPolarHBondContact CA-O 3.45Å; E244-T266 HydrophobicContact CG-CG2 3.73Å | ||
| 245 | R | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 133.5 | 174.1 | -60 | -162.4 | -63.8 | -176.9 | -8.1 | 110.1 | G238 F239 L264 D265 S267 G269 L271 D289 | G238-R245 WeakPolarHBondContact O-CA 3.43Å; F239-R245 HydrophobicContact CD1-CG 3.95Å; F239-R245 HydrophobicContact CE1-CG 3.53Å; F239-R245 HydrophobicContact CZ-CG 4.14Å; R245-L264 HydrophobicContact CB-CB 4.36Å; R245-L264 WeakPolarHBondContact O-CB 3.48Å; R245-L264 PolarHBondContact O-N 3.3Å; R245-D265 IonicContact CZ-OD1 3.79Å; R245-D265 VanDerWaalsContact CZ-OD1 3.29Å; R245-D265 IonicContact CZ-OD2 3.32Å; R245-D265 PolarHBondContact N-O 2.7Å; R245-D265 IonicContact NE-OD1 3.19Å; R245-D265 PolarHBondContact NE-OD1 2.79Å; R245-D265 IonicContact NE-OD2 3.9Å; R245-D265 VanDerWaalsContact NH2-CG 3.35Å; R245-D265 IonicContact NH2-OD1 3.07Å; R245-D265 PolarHBondContact NH2-OD1 3.17Å; R245-D265 VanDerWaalsContact NH2-OD1 3.1Å; R245-D265 IonicContact NH2-OD2 3.63Å; R245-D265 PolarHBondContact NH2-OD2 2.76Å; R245-S267 WeakPolarHBondContact CD-O 3.49Å; R245-S267 VanDerWaalsContact CG-O 3.23Å; R245-S267 WeakPolarHBondContact CG-O 3.25Å; R245-G269 WeakPolarHBondContact CD-O 3.47Å; R245-G269 PolarHBondContact NH1-O 2.91Å; R245-G269 VanDerWaalsContact NH1-O 3.14Å; R245-L271 HydrophobicContact CB-CD1 4Å; R245-D289 IonicContact CZ-OD1 3.86Å; R245-D289 IonicContact CZ-OD2 3.78Å; R245-D289 VanDerWaalsContact NH1-CG 3.31Å; R245-D289 IonicContact NH1-OD1 3.58Å; R245-D289 PolarHBondContact NH1-OD1 3.01Å; R245-D289 VanDerWaalsContact NH1-OD1 3.11Å; R245-D289 IonicContact NH1-OD2 3.22Å; R245-D289 PolarHBondContact NH1-OD2 3.5Å; R245-D289 IonicContact NH2-OD1 3.93Å; R245-D289 PolarHBondContact NH2-OD1 3.09Å; R245-D289 IonicContact NH2-OD2 3.38Å; R245-D289 PolarHBondContact NH2-OD2 2.68Å |
| 246 | Q | 98.6 | Very high | 97.5 | Very high | 13 Ų | 13 | 47.5 Ų | 47.5 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 147.7 | -177.6 | -73.1 | 177.5 | -25.3 | 0 | 0 | 110.2 | H218 T237 G238 S240 E244 L261 Q262 E263 | H218-Q246 PolarHBondContact ND1-OE1 3.27Å; T237-Q246 VanDerWaalsContact CA-O 3.31Å; T237-Q246 WeakPolarHBondContact CA-O 3.46Å; G238-Q246 PolarHBondContact N-O 2.54Å; G238-Q246 PolarHBondContact O-N 3.09Å; S240-Q246 VanDerWaalsContact CB-NE2 3.31Å; E244-Q246 PolarHBondContact O-N 3.48Å; Q246-L261 HydrophobicContact CB-CD1 4.01Å; Q246-L261 HydrophobicContact CG-CD1 4.28Å; Q246-Q262 WeakPolarHBondContact CA-O 3.41Å; Q246-E263 HydrophobicContact CG-CG 3.9Å; Q246-E263 PolarHBondContact NE2-OE1 2.83Å |
| 247 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 132.2 | 163.7 | 59.5 | 0 | 0 | 0 | 0 | 108.7 | L235 T236 Q262 L264 L284 F295 L304 | L235-V247 HydrophobicContact CD1-CG2 3.8Å; L235-V247 HydrophobicContact CD2-CG2 3.82Å; L235-V247 HydrophobicContact CG-CG2 3.83Å; T236-V247 CarbonylContact O-C 3.2Å; T236-V247 WeakPolarHBondContact O-CA 3.47Å; V247-Q262 HydrophobicContact CG1-CB 3.9Å; V247-Q262 PolarHBondContact N-O 3.03Å; V247-Q262 PolarHBondContact O-N 3.28Å; V247-L264 HydrophobicContact CB-CD1 4.43Å; V247-L264 HydrophobicContact CG1-CD1 4.26Å; V247-L264 HydrophobicContact CG1-CD2 4.13Å; V247-L264 HydrophobicContact CG1-CG 4.39Å; V247-L284 HydrophobicContact CB-CD1 3.91Å; V247-L284 HydrophobicContact CG1-CD1 4.23Å; V247-L284 HydrophobicContact CG2-CD1 4.02Å; V247-F295 HydrophobicContact CG1-CE1 4.49Å; V247-F295 HydrophobicContact CG1-CZ 4.3Å; V247-L304 HydrophobicContact CG1-CD2 3.94Å; V247-L304 HydrophobicContact CG2-CD2 3.93Å |
| 248 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 138.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L235 T236 W250 P258 S260 L261 | L235-A248 CarbonylContact C-O 3.55Å; L235-A248 WeakPolarHBondContact CA-O 3.31Å; T236-A248 PolarHBondContact N-O 3.27Å; T236-A248 PolarHBondContact O-N 3.22Å; A248-W250 HydrophobicContact CB-CZ2 3.89Å; A248-P258 HydrophobicContact CB-CB 4.25Å; A248-S260 CarbonylContact C-O 3.53Å; A248-S260 WeakPolarHBondContact CA-O 3.43Å; A248-L261 HydrophobicContact CB-CD1 3.72Å |
| 249 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 131.4 | 173.2 | -177.8 | 69 | 0 | 0 | 0 | 108.8 | V229 K233 P258 L259 S260 I297 F303 L304 | V229-L249 HydrophobicContact CG2-CD1 3.71Å; K233-L249 HydrophobicContact CB-CD1 4.27Å; K233-L249 HydrophobicContact CD-CD1 4.31Å; K233-L249 HydrophobicContact CD-CD2 4.36Å; K233-L249 HydrophobicContact CD-CG 4.45Å; L249-P258 CarbonylContact O-C 3.58Å; L249-P258 WeakPolarHBondContact O-CA 3.27Å; L249-L259 HydrophobicContact CD2-CB 4.39Å; L249-L259 HydrophobicContact CD2-CD1 4.24Å; L249-L259 HydrophobicContact CG-CB 4.39Å; L249-L259 HydrophobicContact CG-CD1 4.25Å; L249-L259 WeakPolarHBondContact O-CB 3.47Å; L249-L259 PolarHBondContact O-N 2.81Å; L249-S260 PolarHBondContact N-O 2.84Å; L249-S260 PolarHBondContact O-N 2.99Å; L249-I297 HydrophobicContact CD1-CD1 4.22Å; L249-I297 HydrophobicContact CD1-CG2 4.47Å; L249-I297 HydrophobicContact CD2-CG2 4.13Å; L249-F303 HydrophobicContact CD2-CB 3.67Å; L249-L304 HydrophobicContact CD2-CB 4.4Å |
| 250 | W | 98.6 | Very high | 97.3 | Very high | 7 Ų | 7 | 58.9 Ų | 58.9 | 3% | 0.027 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 142.7 | -175.6 | -53.5 | 85.9 | 0 | 0 | 0 | 111.3 | K214 P217 K233 I234 T236 A248 L255 P258 | K214-W250 HydrophobicContact CD-CH2 4.39Å; K214-W250 HydrophobicContact CD-CZ3 4.06Å; K214-W250 VanDerWaalsContact CE-CZ3 3.46Å; K214-W250 HydrophobicContact CG-CH2 4.48Å; K214-W250 HydrophobicContact CG-CZ3 4.37Å; P217-W250 HydrophobicContact CB-CH2 4.38Å; P217-W250 HydrophobicContact CB-CZ2 3.67Å; P217-W250 WeakPolarHBondContact O-CZ2 3.21Å; K233-W250 WeakPolarHBondContact CA-O 3.42Å; K233-W250 VanDerWaalsContact CB-O 3.3Å; K233-W250 WeakPolarHBondContact CB-O 3.13Å; I234-W250 HydrophobicContact CD1-CB 4.42Å; I234-W250 HydrophobicContact CG1-CB 3.76Å; I234-W250 HydrophobicContact CG1-CG 4.25Å; I234-W250 PolarHBondContact N-O 3Å; I234-W250 VanDerWaalsContact N-O 3.11Å; I234-W250 PolarHBondContact O-N 3.22Å; T236-W250 PolarHBondContact OG1-NE1 2.76Å; A248-W250 HydrophobicContact CB-CZ2 3.89Å; W250-L255 HydrophobicContact CB-CD2 3.87Å; W250-L255 HydrophobicContact CE3-CD2 4.48Å; W250-P258 HydrophobicContact CD2-CB 4.06Å; W250-P258 HydrophobicContact CE3-CB 3.95Å; W250-P258 HydrophobicContact CH2-CB 3.83Å; W250-P258 HydrophobicContact CH2-CG 3.98Å; W250-P258 HydrophobicContact CZ2-CB 3.95Å; W250-P258 HydrophobicContact CZ2-CG 4.4Å; W250-P258 HydrophobicContact CZ3-CB 3.84Å; W250-P258 HydrophobicContact CZ3-CG 4.19Å; W250-P258 VanDerWaalsContact CZ3-N 3.31Å |
| 251 | D | 97.5 | Very high | 97.3 | Very high | 36 Ų | 36 | 62.4 Ų | 62.4 | 19% | 0.193 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 123.1 | 162.9 | -177.8 | -5.4 | 0 | 0 | 0 | 108.5 | K253 H254 L255 L259 | D251-K253 PolarHBondContact O-N 2.84Å; D251-K253 PolarHBondContact OD1-N 2.79Å; D251-H254 HydrophobicContact CB-CB 4.34Å; D251-H254 CarbonylContact O-C 3.47Å; D251-H254 PolarHBondContact O-N 3.15Å; D251-H254 VanDerWaalsContact O-N 3.09Å; D251-H254 VanDerWaalsContact O-O 3.09Å; D251-H254 IonicContact OD2-CE1 3.14Å; D251-H254 IonicContact OD2-CG 2.71Å; D251-H254 IonicContact OD2-ND1 3.42Å; D251-H254 PolarHBondContact OD2-ND1 2.8Å; D251-L255 VanDerWaalsContact O-CD2 3.26Å; D251-L255 WeakPolarHBondContact O-CD2 3.3Å; D251-L259 HydrophobicContact CB-CD1 4.14Å; D251-L259 HydrophobicContact CB-CD2 4.37Å; D251-L259 HydrophobicContact CB-CG 4.28Å |
| 252 | T | 95.8 | Very high | 97.4 | Very high | 28 Ų | 28 | 54.2 Ų | 54.2 | 17% | 0.172 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.4 | -178.8 | 60.2 | 0 | 0 | 0 | 0 | 113.5 | I202 G232 I234 | I202-T252 HydrophobicContact CD1-CG2 3.22Å; G232-T252 VanDerWaalsContact C-OG1 3.31Å; G232-T252 WeakPolarHBondContact O-CB 3.4Å; G232-T252 VanDerWaalsContact O-CG2 3.3Å; G232-T252 WeakPolarHBondContact O-CG2 3.48Å; G232-T252 PolarHBondContact O-N 3.03Å; G232-T252 PolarHBondContact O-OG1 2.86Å; I234-T252 HydrophobicContact CG1-CG2 4.39Å; I234-T252 HydrophobicContact CG2-CG2 3.85Å |
| 253 | K | 95.4 | Very high | 97.5 | Very high | 168 Ų | 168 | 52.8 Ų | 52.8 | 73% | 0.73 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -20.9 | 174.9 | -63.4 | -178 | 179.9 | 178.6 | 0 | 113.3 | D251 | D251-K253 PolarHBondContact O-N 2.84Å; D251-K253 PolarHBondContact OD1-N 2.79Å |
| 254 | H | 95.9 | Very high | 97.6 | Very high | 115 Ų | 115 | 52.9 Ų | 52.9 | 53% | 0.532 | 26% | 0.256 | S | S | . | . | B | Isolated β-bridge | trans | -137.4 | 81.1 | -175.8 | -52.9 | 103.4 | 0 | 0 | 0 | 109 | D251 E256 | D251-H254 HydrophobicContact CB-CB 4.34Å; D251-H254 CarbonylContact O-C 3.47Å; D251-H254 PolarHBondContact O-N 3.15Å; D251-H254 VanDerWaalsContact O-N 3.09Å; D251-H254 VanDerWaalsContact O-O 3.09Å; D251-H254 IonicContact OD2-CE1 3.14Å; D251-H254 IonicContact OD2-CG 2.71Å; D251-H254 IonicContact OD2-ND1 3.42Å; D251-H254 PolarHBondContact OD2-ND1 2.8Å; H254-E256 VanDerWaalsContact C-OE2 3.24Å; H254-E256 WeakPolarHBondContact CA-OE2 3.31Å |
| 255 | L | 96.7 | Very high | 97.5 | Very high | 19 Ų | 19 | 51.8 Ų | 51.8 | 10% | 0.099 | 25% | 0.252 | C | S | . | . | trans | -92 | 4.9 | -173 | -71.6 | 174 | 0 | 0 | 0 | 113.3 | A212 K214 W250 D251 E257 | A212-L255 HydrophobicContact CB-CD1 3.82Å; K214-L255 HydrophobicContact CB-CB 4.42Å; K214-L255 HydrophobicContact CB-CD1 4.29Å; K214-L255 HydrophobicContact CB-CD2 4.38Å; K214-L255 HydrophobicContact CD-CB 4.47Å; K214-L255 WeakPolarHBondContact CD-O 3.5Å; K214-L255 WeakPolarHBondContact CE-O 3.37Å; K214-L255 PolarHBondContact NZ-O 2.74Å; W250-L255 HydrophobicContact CB-CD2 3.87Å; W250-L255 HydrophobicContact CE3-CD2 4.48Å; D251-L255 VanDerWaalsContact O-CD2 3.26Å; D251-L255 WeakPolarHBondContact O-CD2 3.3Å; L255-E257 PolarHBondContact O-N 3.36Å | ||
| 256 | E | 95.9 | Very high | 97.3 | Very high | 132 Ų | 132 | 57 Ų | 57 | 62% | 0.617 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -59.6 | -50.7 | -179.4 | -63.6 | 74.7 | -163.7 | 0 | 0 | 110.4 | K214 H254 | K214-E256 PolarHBondContact NZ-O 2.77Å; H254-E256 VanDerWaalsContact C-OE2 3.24Å; H254-E256 WeakPolarHBondContact CA-OE2 3.31Å |
| 257 | E | 96.9 | Very high | 97.1 | Very high | 146 Ų | 146 | 58.7 Ų | 58.7 | 68% | 0.682 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -132.3 | 149 | -178.5 | -68.1 | -61.4 | 154.2 | 0 | 0 | 111.4 | L255 | L255-E257 PolarHBondContact O-N 3.36Š|
| 258 | P | 98 | Very high | 96.9 | Very high | 31 Ų | 31 | 62.3 Ų | 62.3 | 20% | 0.201 | 32% | 0.323 | C | S | . | . | trans | -70.8 | 144.1 | 177.2 | 29.3 | -32.1 | 0 | 0 | 0 | 110.8 | A248 L249 W250 S260 L261 | A248-P258 HydrophobicContact CB-CB 4.25Å; L249-P258 CarbonylContact O-C 3.58Å; L249-P258 WeakPolarHBondContact O-CA 3.27Å; W250-P258 HydrophobicContact CD2-CB 4.06Å; W250-P258 HydrophobicContact CE3-CB 3.95Å; W250-P258 HydrophobicContact CH2-CB 3.83Å; W250-P258 HydrophobicContact CH2-CG 3.98Å; W250-P258 HydrophobicContact CZ2-CB 3.95Å; W250-P258 HydrophobicContact CZ2-CG 4.4Å; W250-P258 HydrophobicContact CZ3-CB 3.84Å; W250-P258 HydrophobicContact CZ3-CG 4.19Å; W250-P258 VanDerWaalsContact CZ3-N 3.31Å; P258-S260 PolarHBondContact O-N 2.96Å; P258-L261 HydrophobicContact CB-CB 4.48Å; P258-L261 HydrophobicContact CG-CB 3.94Å | ||
| 259 | L | 97.6 | Very high | 96.7 | Very high | 58 Ų | 58 | 63 Ų | 63 | 30% | 0.304 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -61.3 | -34.5 | 169.3 | -66.2 | 177 | 0 | 0 | 0 | 111.5 | K233 L249 D251 F303 | K233-L259 HydrophobicContact CD-CD1 3.91Å; K233-L259 HydrophobicContact CG-CD1 4.46Å; L249-L259 HydrophobicContact CD2-CB 4.39Å; L249-L259 HydrophobicContact CD2-CD1 4.24Å; L249-L259 HydrophobicContact CG-CB 4.39Å; L249-L259 HydrophobicContact CG-CD1 4.25Å; L249-L259 WeakPolarHBondContact O-CB 3.47Å; L249-L259 PolarHBondContact O-N 2.81Å; D251-L259 HydrophobicContact CB-CD1 4.14Å; D251-L259 HydrophobicContact CB-CD2 4.37Å; D251-L259 HydrophobicContact CB-CG 4.28Å; L259-F303 HydrophobicContact CB-CD2 3.88Å; L259-F303 HydrophobicContact CB-CE2 4.39Å; L259-F303 HydrophobicContact CB-CG 4.42Å; L259-F303 HydrophobicContact CD2-CE2 4.32Å |
| 260 | S | 98.3 | Very high | 96.6 | Very high | 12 Ų | 12 | 63.6 Ų | 63.6 | 8% | 0.084 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 133.2 | 177.3 | -162.2 | 0 | 0 | 0 | 0 | 108.7 | A248 L249 P258 Q262 P302 | A248-S260 CarbonylContact C-O 3.53Å; A248-S260 WeakPolarHBondContact CA-O 3.43Å; L249-S260 PolarHBondContact N-O 2.84Å; L249-S260 PolarHBondContact O-N 2.99Å; P258-S260 PolarHBondContact O-N 2.96Å; S260-Q262 PolarHBondContact OG-NE2 2.85Å; S260-P302 WeakPolarHBondContact CB-O 3.37Å; S260-P302 PolarHBondContact OG-O 2.73Å |
| 261 | L | 98.3 | Very high | 96.6 | Very high | 82 Ų | 82 | 63.4 Ų | 63.4 | 43% | 0.429 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 123.4 | 170.1 | 176.4 | 68.6 | 0 | 0 | 0 | 107.7 | Q246 A248 P258 | Q246-L261 HydrophobicContact CB-CD1 4.01Å; Q246-L261 HydrophobicContact CG-CD1 4.28Å; A248-L261 HydrophobicContact CB-CD1 3.72Å; P258-L261 HydrophobicContact CB-CB 4.48Å; P258-L261 HydrophobicContact CG-CB 3.94Å |
| 262 | Q | 98.4 | Very high | 96.6 | Very high | 44 Ų | 44 | 62.6 Ų | 62.6 | 21% | 0.206 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 125 | -179.6 | -62.2 | 179.5 | 40.3 | 0 | 0 | 109.9 | Q246 V247 S260 F295 L304 | Q246-Q262 WeakPolarHBondContact CA-O 3.41Å; V247-Q262 HydrophobicContact CG1-CB 3.9Å; V247-Q262 PolarHBondContact N-O 3.03Å; V247-Q262 PolarHBondContact O-N 3.28Å; S260-Q262 PolarHBondContact OG-NE2 2.85Å; Q262-F295 VanDerWaalsContact OE1-CE1 3.31Å; Q262-L304 PolarHBondContact NE2-O 2.88Å |
| 263 | E | 97.8 | Very high | 96.8 | Very high | 120 Ų | 120 | 62 Ų | 62 | 56% | 0.561 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 139 | 170.9 | -69.3 | 171.6 | 172.5 | 0 | 0 | 109.6 | Q246 | Q246-E263 HydrophobicContact CG-CG 3.9Å; Q246-E263 PolarHBondContact NE2-OE1 2.83Å |
| 264 | L | 97.3 | Very high | 96.9 | Very high | 39 Ų | 39 | 55.9 Ų | 55.9 | 20% | 0.204 | 30% | 0.299 | C | S | . | . | trans | -112.4 | -66.9 | -169.7 | -58.2 | 177.3 | 0 | 0 | 0 | 112.3 | R245 V247 L271 L284 F295 | R245-L264 HydrophobicContact CB-CB 4.36Å; R245-L264 WeakPolarHBondContact O-CB 3.48Å; R245-L264 PolarHBondContact O-N 3.3Å; V247-L264 HydrophobicContact CB-CD1 4.43Å; V247-L264 HydrophobicContact CG1-CD1 4.26Å; V247-L264 HydrophobicContact CG1-CD2 4.13Å; V247-L264 HydrophobicContact CG1-CG 4.39Å; L264-L271 HydrophobicContact CD1-CD1 3.42Å; L264-L271 VanDerWaalsContact CD1-CD1 3.42Å; L264-L284 HydrophobicContact CD1-CD1 3.93Å; L264-F295 HydrophobicContact CD2-CZ 3.71Å | ||
| 265 | D | 96.1 | Very high | 97.1 | Very high | 36 Ų | 36 | 52.2 Ų | 52.2 | 19% | 0.193 | 28% | 0.282 | C | S | . | . | trans | -162.7 | 178.5 | -179.1 | 61.8 | 46.2 | 0 | 0 | 0 | 110.5 | E244 R245 S267 R293 | E244-D265 CarbonylContact C-O 3.54Å; E244-D265 WeakPolarHBondContact CA-O 3.45Å; R245-D265 IonicContact CZ-OD1 3.79Å; R245-D265 VanDerWaalsContact CZ-OD1 3.29Å; R245-D265 IonicContact CZ-OD2 3.32Å; R245-D265 PolarHBondContact N-O 2.7Å; R245-D265 IonicContact NE-OD1 3.19Å; R245-D265 PolarHBondContact NE-OD1 2.79Å; R245-D265 IonicContact NE-OD2 3.9Å; R245-D265 VanDerWaalsContact NH2-CG 3.35Å; R245-D265 IonicContact NH2-OD1 3.07Å; R245-D265 PolarHBondContact NH2-OD1 3.17Å; R245-D265 VanDerWaalsContact NH2-OD1 3.1Å; R245-D265 IonicContact NH2-OD2 3.63Å; R245-D265 PolarHBondContact NH2-OD2 2.76Å; D265-S267 VanDerWaalsContact OD1-CB 3.25Å; D265-S267 WeakPolarHBondContact OD1-CB 3.45Å; D265-S267 PolarHBondContact OD1-N 2.81Å; D265-S267 PolarHBondContact OD1-OG 3.46Å; D265-R293 IonicContact OD2-CZ 2.72Å; D265-R293 IonicContact OD2-NH1 3.87Å; D265-R293 PolarHBondContact OD2-NH1 3.21Å; D265-R293 IonicContact OD2-NH2 3.32Å; D265-R293 PolarHBondContact OD2-NH2 3.37Å | ||
| 266 | T | 94.8 | Very high | 97.1 | Very high | 110 Ų | 110 | 51.4 Ų | 51.4 | 68% | 0.675 | 28% | 0.277 | S | S | * | . | trans | -99.6 | 20.9 | -177.8 | 51.6 | 0 | 0 | 0 | 0 | 113.7 | E244 | E244-T266 HydrophobicContact CG-CG2 3.73Š| ||
| 267 | S | 94.6 | Very high | 97.2 | Very high | 49 Ų | 49 | 47.4 Ų | 47.4 | 34% | 0.343 | 26% | 0.263 | S | S | . | . | trans | -72.4 | 153.4 | 179.7 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | F239 R245 D265 | F239-S267 WeakPolarHBondContact CE1-O 3.49Å; R245-S267 WeakPolarHBondContact CD-O 3.49Å; R245-S267 VanDerWaalsContact CG-O 3.23Å; R245-S267 WeakPolarHBondContact CG-O 3.25Å; D265-S267 VanDerWaalsContact OD1-CB 3.25Å; D265-S267 WeakPolarHBondContact OD1-CB 3.45Å; D265-S267 PolarHBondContact OD1-N 2.81Å; D265-S267 PolarHBondContact OD1-OG 3.46Å | ||
| 268 | S | 92.9 | Very high | 97.3 | Very high | 77 Ų | 77 | 41.6 Ų | 41.6 | 54% | 0.538 | 24% | 0.236 | S | C | . | . | trans | -89.4 | -14.5 | -175.4 | 57.5 | 0 | 0 | 0 | 0 | 114.9 | R222 | R222-S268 PolarHBondContact NH1-O 2.89Š| ||
| 269 | G | 94.5 | Very high | 97.2 | Very high | 14 Ų | 14 | 40.5 Ų | 40.5 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -71.7 | 131.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R245 L271 | R245-G269 WeakPolarHBondContact CD-O 3.47Å; R245-G269 PolarHBondContact NH1-O 2.91Å; R245-G269 VanDerWaalsContact NH1-O 3.14Å; G269-L271 PolarHBondContact O-N 3.34Å |
| 270 | V | 97.7 | Very high | 97.3 | Very high | 13 Ų | 13 | 40.3 Ų | 40.3 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 126.3 | 175.7 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | P223 R225 F239 G286 | P223-V270 HydrophobicContact CB-CG1 4.44Å; P223-V270 HydrophobicContact CB-CG2 3.97Å; P223-V270 HydrophobicContact CG-CG2 3.95Å; R225-V270 HydrophobicContact CG-CG1 3.76Å; F239-V270 HydrophobicContact CE2-CG2 4.4Å; V270-G286 WeakPolarHBondContact O-CA 3.49Å |
| 271 | L | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 123.5 | 177.6 | -72.9 | 169.3 | 0 | 0 | 0 | 110.2 | T237 R245 L264 G269 P273 L284 | T237-L271 HydrophobicContact CG2-CB 4Å; T237-L271 PolarHBondContact OG1-O 2.92Å; R245-L271 HydrophobicContact CB-CD1 4Å; L264-L271 HydrophobicContact CD1-CD1 3.42Å; L264-L271 VanDerWaalsContact CD1-CD1 3.42Å; G269-L271 PolarHBondContact O-N 3.34Å; L271-P273 WeakPolarHBondContact O-CD 3.32Å; L271-L284 HydrophobicContact CD1-CD1 4.42Å; L271-L284 HydrophobicContact CD2-CB 4.23Å |
| 272 | L | 98.3 | Very high | 97.3 | Very high | 19 Ų | 19 | 35.9 Ų | 35.9 | 10% | 0.099 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 118.1 | 170.9 | -57.1 | 179.9 | 0 | 0 | 0 | 109.1 | D36 R225 F274 C285 | D36-L272 WeakPolarHBondContact O-CD2 3.31Å; R225-L272 HydrophobicContact CG-CD2 4.37Å; L272-F274 HydrophobicContact CB-CE2 3.74Å; L272-F274 HydrophobicContact CB-CZ 4.28Å; L272-C285 WeakPolarHBondContact CB-O 3.24Å; L272-C285 PolarHBondContact N-O 2.92Å; L272-C285 PolarHBondContact O-N 2.93Å |
| 273 | P | 98.6 | Very high | 97.3 | Very high | 15 Ų | 15 | 33.8 Ų | 33.8 | 10% | 0.097 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 130.3 | 172.9 | 32.4 | -32.6 | 0 | 0 | 0 | 111.2 | R225 V227 L235 T237 L271 V282 Y283 L284 | R225-P273 HydrophobicContact CB-CG 4.27Å; V227-P273 HydrophobicContact CB-CG 4.38Å; V227-P273 HydrophobicContact CG1-CG 3.74Å; V227-P273 HydrophobicContact CG2-CB 3.85Å; V227-P273 HydrophobicContact CG2-CG 3.74Å; L235-P273 HydrophobicContact CD2-CB 3.78Å; L235-P273 HydrophobicContact CD2-CG 4.42Å; T237-P273 HydrophobicContact CG2-CB 4.27Å; T237-P273 HydrophobicContact CG2-CG 4.34Å; L271-P273 WeakPolarHBondContact O-CD 3.32Å; P273-V282 HydrophobicContact CB-CG2 4.1Å; P273-Y283 CarbonylContact C-O 3.4Å; P273-Y283 WeakPolarHBondContact CA-O 3.47Å; P273-L284 HydrophobicContact CB-CD2 3.81Å |
| 274 | F | 98.7 | Very high | 97.4 | Very high | 39 Ų | 39 | 28.1 Ų | 28.1 | 17% | 0.171 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 106.9 | 170.9 | -63.3 | -94.3 | 0 | 0 | 0 | 108.2 | L272 V282 Y283 C285 M319 Y321 F337 | L272-F274 HydrophobicContact CB-CE2 3.74Å; L272-F274 HydrophobicContact CB-CZ 4.28Å; F274-V282 WeakPolarHBondContact O-CA 3.14Å; F274-Y283 PolarHBondContact N-O 2.6Å; F274-Y283 PolarHBondContact O-N 3.09Å; F274-C285 VanDerWaalsContact CE2-SG 3.55Å; F274-M319 HydrophobicContact CE2-CG 4.44Å; F274-M319 HydrophobicContact CZ-CB 4.36Å; F274-M319 HydrophobicContact CZ-CG 4.39Å; F274-Y321 HydrophobicContact CB-CD2 4.28Å; F274-Y321 HydrophobicContact CD1-CD2 4.31Å; F274-Y321 AromaticContact CD1-CG 3.95Å; F274-Y321 HydrophobicContact CD1-CG 3.95Å; F274-Y321 HydrophobicContact CG-CD2 4.49Å; F274-F337 HydrophobicContact CB-CE1 4.48Å; F274-F337 HydrophobicContact CD2-CE1 4.12Å; F274-F337 HydrophobicContact CG-CE1 4.19Å |
| 275 | F | 98.7 | Very high | 97.4 | Very high | 39 Ų | 39 | 26.2 Ų | 26.2 | 17% | 0.171 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 131.3 | -179.1 | 176.6 | -113 | 0 | 0 | 0 | 111.4 | V229 P277 N280 V282 I297 | V229-F275 VanDerWaalsContact C-CZ 3.45Å; V229-F275 VanDerWaalsContact CA-CE1 3.4Å; V229-F275 HydrophobicContact CB-CD1 4.26Å; V229-F275 HydrophobicContact CB-CD2 3.89Å; V229-F275 HydrophobicContact CB-CE1 4.15Å; V229-F275 HydrophobicContact CB-CE2 3.78Å; V229-F275 HydrophobicContact CB-CG 4.13Å; V229-F275 HydrophobicContact CB-CZ 3.92Å; V229-F275 HydrophobicContact CG1-CB 4.2Å; V229-F275 HydrophobicContact CG1-CD1 4.33Å; V229-F275 HydrophobicContact CG1-CD2 3.72Å; V229-F275 HydrophobicContact CG1-CE2 4.14Å; V229-F275 HydrophobicContact CG1-CG 3.82Å; F275-P277 HydrophobicContact CD1-CB 4.43Å; F275-P277 HydrophobicContact CE1-CB 3.78Å; F275-P277 HydrophobicContact CZ-CB 4.42Å; F275-N280 HydrophobicContact CE2-CB 4.47Å; F275-V282 HydrophobicContact CD2-CB 4.42Å; F275-I297 HydrophobicContact CD2-CD1 4.26Å; F275-I297 HydrophobicContact CE2-CD1 4.04Å |
| 276 | D | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 105.5 | 172.7 | 177 | 11.4 | 0 | 0 | 0 | 110.1 | D278 T279 N280 I281 K324 | D276-D278 PolarHBondContact O-N 2.9Å; D276-D278 PolarHBondContact OD1-N 2.86Å; D276-T279 PolarHBondContact O-N 2.98Å; D276-T279 WeakPolarHBondContact OD2-CB 3.41Å; D276-T279 WeakPolarHBondContact OD2-CG2 3.41Å; D276-T279 PolarHBondContact OD2-OG1 2.96Å; D276-N280 VanDerWaalsContact O-CA 3.27Å; D276-N280 WeakPolarHBondContact O-CA 3.22Å; D276-N280 PolarHBondContact O-N 2.9Å; D276-I281 PolarHBondContact N-O 2.69Å; D276-I281 PolarHBondContact O-N 2.88Å; D276-K324 VanDerWaalsContact CG-CE 3.42Å; D276-K324 WeakPolarHBondContact OD1-CE 3.46Å; D276-K324 IonicContact OD1-NZ 3.95Å; D276-K324 PolarHBondContact OD1-NZ 3.5Å; D276-K324 VanDerWaalsContact OD1-NZ 3.1Å; D276-K324 WeakPolarHBondContact OD2-CE 3.45Å; D276-K324 IonicContact OD2-NZ 3.31Å; D276-K324 PolarHBondContact OD2-NZ 2.98Å |
| 277 | P | 97.4 | Very high | 97.4 | Very high | 48 Ų | 48 | 21.3 Ų | 21.3 | 31% | 0.312 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -21.7 | -178.1 | 27.1 | -33.5 | 0 | 0 | 0 | 113.4 | F275 | F275-P277 HydrophobicContact CD1-CB 4.43Å; F275-P277 HydrophobicContact CE1-CB 3.78Å; F275-P277 HydrophobicContact CZ-CB 4.42Å |
| 278 | D | 97.7 | Very high | 97.4 | Very high | 25 Ų | 25 | 21.5 Ų | 21.5 | 13% | 0.134 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -28.6 | -176.5 | -60.8 | -9 | 0 | 0 | 0 | 111.2 | R186 D276 K324 P365 T367 | R186-D278 IonicContact NH2-OD1 2.88Å; D276-D278 PolarHBondContact O-N 2.9Å; D276-D278 PolarHBondContact OD1-N 2.86Å; D278-K324 WeakPolarHBondContact OD2-CD 3.47Å; D278-K324 VanDerWaalsContact OD2-CE 3.25Å; D278-K324 WeakPolarHBondContact OD2-CE 3.18Å; D278-K324 WeakPolarHBondContact OD2-CG 3.41Å; D278-P365 HydrophobicContact CB-CG 3.83Å; D278-T367 PolarHBondContact OD1-OG1 2.84Å; D278-T367 WeakPolarHBondContact OD2-CB 3.46Å; D278-T367 PolarHBondContact OD2-OG1 2.95Å |
| 279 | T | 97.6 | Very high | 97.6 | Very high | 7 Ų | 7 | 18.5 Ų | 18.5 | 4% | 0.043 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -10.3 | -179.3 | 65.9 | 0 | 0 | 0 | 0 | 113.7 | F11 D276 I281 | F11-T279 HydrophobicContact CE1-CG2 3.88Å; F11-T279 WeakPolarHBondContact CE2-O 3.2Å; F11-T279 HydrophobicContact CZ-CG2 3.7Å; D276-T279 PolarHBondContact O-N 2.98Å; D276-T279 WeakPolarHBondContact OD2-CB 3.41Å; D276-T279 WeakPolarHBondContact OD2-CG2 3.41Å; D276-T279 PolarHBondContact OD2-OG1 2.96Å; T279-I281 PolarHBondContact O-N 2.86Å; T279-I281 WeakPolarHBondContact OG1-CB 3.31Å; T279-I281 WeakPolarHBondContact OG1-CG1 3.41Å; T279-I281 PolarHBondContact OG1-N 2.95Å |
| 280 | N | 98.1 | Very high | 97.7 | Very high | 55 Ų | 55 | 20 Ų | 20 | 29% | 0.294 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 26.8 | -167.5 | -66.5 | -65 | 0 | 0 | 0 | 113.8 | S230 F275 D276 I297 | S230-N280 PolarHBondContact OG-OD1 2.96Å; F275-N280 HydrophobicContact CE2-CB 4.47Å; D276-N280 VanDerWaalsContact O-CA 3.27Å; D276-N280 WeakPolarHBondContact O-CA 3.22Å; D276-N280 PolarHBondContact O-N 2.9Å; N280-I297 HydrophobicContact CB-CB 4.41Å; N280-I297 WeakPolarHBondContact CB-O 3.44Å; N280-I297 PolarHBondContact O-N 2.66Å |
| 281 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 137.1 | 173.1 | -63.2 | 174.7 | 0 | 0 | 0 | 109.4 | F11 D276 T279 Y283 F295 L307 I334 | F11-I281 HydrophobicContact CB-CD1 3.9Å; F11-I281 HydrophobicContact CD1-CD1 3.82Å; F11-I281 HydrophobicContact CD2-CD1 4.11Å; F11-I281 HydrophobicContact CD2-CG1 4.37Å; F11-I281 HydrophobicContact CE1-CD1 4.29Å; F11-I281 HydrophobicContact CG-CD1 3.7Å; F11-I281 HydrophobicContact CG-CG1 4.42Å; D276-I281 PolarHBondContact N-O 2.69Å; D276-I281 PolarHBondContact O-N 2.88Å; T279-I281 PolarHBondContact O-N 2.86Å; T279-I281 WeakPolarHBondContact OG1-CB 3.31Å; T279-I281 WeakPolarHBondContact OG1-CG1 3.41Å; T279-I281 PolarHBondContact OG1-N 2.95Å; I281-Y283 HydrophobicContact CB-CE2 4.16Å; I281-Y283 HydrophobicContact CG2-CD1 4.44Å; I281-Y283 HydrophobicContact CG2-CD2 3.99Å; I281-Y283 HydrophobicContact CG2-CE1 4Å; I281-Y283 HydrophobicContact CG2-CE2 3.53Å; I281-Y283 HydrophobicContact CG2-CG 4.41Å; I281-F295 CarbonylContact C-O 3.55Å; I281-F295 VanDerWaalsContact CA-O 3.25Å; I281-F295 WeakPolarHBondContact CA-O 3.22Å; I281-F295 WeakPolarHBondContact CG2-O 3.41Å; I281-L307 HydrophobicContact CD1-CD1 4.06Å; I281-L307 HydrophobicContact CG1-CD1 4.13Å; I281-I334 HydrophobicContact CD1-CD1 3.78Å |
| 282 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.8 | 167.4 | 60.8 | 0 | 0 | 0 | 0 | 109.5 | L235 P273 F274 F275 L284 Y294 F295 I297 L304 | L235-V282 HydrophobicContact CD1-CB 4.24Å; L235-V282 HydrophobicContact CD1-CG1 3.72Å; L235-V282 HydrophobicContact CD1-CG2 4.04Å; L235-V282 HydrophobicContact CD2-CG2 4.18Å; P273-V282 HydrophobicContact CB-CG2 4.1Å; F274-V282 WeakPolarHBondContact O-CA 3.14Å; F275-V282 HydrophobicContact CD2-CB 4.42Å; V282-L284 HydrophobicContact CG2-CD2 3.91Å; V282-Y294 CarbonylContact O-C 3.58Å; V282-Y294 WeakPolarHBondContact O-CA 3.34Å; V282-F295 HydrophobicContact CG1-CB 3.78Å; V282-F295 HydrophobicContact CG1-CD2 4.46Å; V282-F295 PolarHBondContact N-O 3.02Å; V282-F295 PolarHBondContact O-N 3.34Å; V282-I297 HydrophobicContact CG1-CD1 4.32Å; V282-L304 HydrophobicContact CG1-CD1 4.06Å |
| 283 | Y | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 136.7 | 174.6 | -56.6 | -95.8 | 0 | 0 | 0 | 109.6 | P273 F274 I281 I292 R293 Y294 Y321 A335 F337 M350 | P273-Y283 CarbonylContact C-O 3.4Å; P273-Y283 WeakPolarHBondContact CA-O 3.47Å; F274-Y283 PolarHBondContact N-O 2.6Å; F274-Y283 PolarHBondContact O-N 3.09Å; I281-Y283 HydrophobicContact CB-CE2 4.16Å; I281-Y283 HydrophobicContact CG2-CD1 4.44Å; I281-Y283 HydrophobicContact CG2-CD2 3.99Å; I281-Y283 HydrophobicContact CG2-CE1 4Å; I281-Y283 HydrophobicContact CG2-CE2 3.53Å; I281-Y283 HydrophobicContact CG2-CG 4.41Å; Y283-I292 HydrophobicContact CD1-CG2 4.25Å; Y283-R293 CarbonylContact C-O 3.54Å; Y283-R293 WeakPolarHBondContact CA-O 2.95Å; Y283-Y294 AromaticContact CD1-CD1 3.97Å; Y283-Y294 HydrophobicContact CD1-CD1 3.97Å; Y283-Y294 AromaticContact CD1-CG 3.96Å; Y283-Y294 HydrophobicContact CD1-CG 3.96Å; Y283-Y294 HydrophobicContact CE1-CD1 4.17Å; Y283-Y294 AromaticContact CE1-CG 3.98Å; Y283-Y294 HydrophobicContact CE1-CG 3.98Å; Y283-Y321 HydrophobicContact CD2-CE2 4.38Å; Y283-Y321 HydrophobicContact CE2-CE2 4.45Å; Y283-A335 HydrophobicContact CE2-CB 4.03Å; Y283-F337 VanDerWaalsContact CB-CZ 3.46Å; Y283-F337 AromaticContact CD1-CE2 3.59Å; Y283-F337 HydrophobicContact CD1-CE2 3.59Å; Y283-F337 AromaticContact CD1-CZ 3.79Å; Y283-F337 HydrophobicContact CD1-CZ 3.79Å; Y283-F337 HydrophobicContact CD2-CE2 4.28Å; Y283-F337 AromaticContact CD2-CZ 3.91Å; Y283-F337 HydrophobicContact CD2-CZ 3.91Å; Y283-F337 HydrophobicContact CE1-CE2 4.03Å; Y283-F337 AromaticContact CG-CE2 3.76Å; Y283-F337 HydrophobicContact CG-CE2 3.76Å; Y283-F337 AromaticContact CG-CZ 3.45Å; Y283-F337 HydrophobicContact CG-CZ 3.45Å; Y283-F337 VanDerWaalsContact CG-CZ 3.45Å; Y283-M350 HydrophobicContact CE1-CB 4.43Å; Y283-M350 HydrophobicContact CE1-CE 4.01Å; Y283-M350 HydrophobicContact CE1-CG 3.97Å |
| 284 | L | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125 | 179.1 | -52.4 | -175.8 | 0 | 0 | 0 | 109.7 | L235 T237 V247 L264 L271 P273 V282 R293 F295 | L235-L284 HydrophobicContact CD2-CD2 4.42Å; T237-L284 HydrophobicContact CG2-CD1 4.48Å; T237-L284 HydrophobicContact CG2-CD2 3.81Å; V247-L284 HydrophobicContact CB-CD1 3.91Å; V247-L284 HydrophobicContact CG1-CD1 4.23Å; V247-L284 HydrophobicContact CG2-CD1 4.02Å; L264-L284 HydrophobicContact CD1-CD1 3.93Å; L271-L284 HydrophobicContact CD1-CD1 4.42Å; L271-L284 HydrophobicContact CD2-CB 4.23Å; P273-L284 HydrophobicContact CB-CD2 3.81Å; V282-L284 HydrophobicContact CG2-CD2 3.91Å; L284-R293 HydrophobicContact CB-CB 4.42Å; L284-R293 PolarHBondContact N-O 3.34Å; L284-R293 PolarHBondContact O-N 3.32Å; L284-F295 HydrophobicContact CD1-CD2 4.14Å; L284-F295 HydrophobicContact CD1-CE2 3.63Å; L284-F295 HydrophobicContact CD1-CZ 4.47Å; L284-F295 HydrophobicContact CG-CD2 4.34Å; L284-F295 HydrophobicContact CG-CE2 4.17Å |
| 285 | C | 97.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 141.8 | 172.6 | 67.2 | 0 | 0 | 0 | 0 | 110.5 | L272 F274 I292 Q316 M319 | L272-C285 WeakPolarHBondContact CB-O 3.24Å; L272-C285 PolarHBondContact N-O 2.92Å; L272-C285 PolarHBondContact O-N 2.93Å; F274-C285 VanDerWaalsContact CE2-SG 3.55Å; C285-I292 HydrophobicContact CB-CG1 4.11Å; C285-I292 HydrophobicContact CB-CG2 4.45Å; C285-Q316 PolarHBondContact SG-NE2 3.43Å; C285-Q316 VanDerWaalsContact SG-NE2 3.38Å; C285-M319 HydrophobicContact CB-CE 4.44Å |
| 286 | G | 95.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 152.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V270 G288 D289 Q316 | V270-G286 WeakPolarHBondContact O-CA 3.49Å; G286-G288 PolarHBondContact O-N 2.81Å; G286-D289 VanDerWaalsContact CA-OD2 3.29Å; G286-D289 WeakPolarHBondContact CA-OD2 3.43Å; G286-D289 PolarHBondContact N-OD2 2.91Å; G286-D289 VanDerWaalsContact O-CB 3.29Å; G286-D289 WeakPolarHBondContact O-CB 3.12Å; G286-D289 PolarHBondContact O-N 3.07Å; G286-Q316 WeakPolarHBondContact O-CG 3.35Å; G286-Q316 PolarHBondContact O-NE2 2.94Å; G286-Q316 VanDerWaalsContact O-NE2 3.13Å |
| 287 | K | 95.6 | Very high | 97.7 | Very high | 43 Ų | 43 | 17.2 Ų | 17.2 | 19% | 0.187 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 133.8 | 171.8 | -69.1 | -171.8 | 179.9 | -175.7 | 0 | 109.7 | W35 S37 F39 D289 R317 | W35-K287 WeakPolarHBondContact O-CE 3.15Å; W35-K287 PolarHBondContact O-NZ 3.45Å; S37-K287 WeakPolarHBondContact O-CE 3.32Å; S37-K287 PolarHBondContact O-NZ 2.91Å; S37-K287 VanDerWaalsContact O-NZ 3.1Å; F39-K287 VanDerWaalsContact CD1-NZ 3.33Å; F39-K287 VanDerWaalsContact CD2-NZ 3.27Å; F39-K287 VanDerWaalsContact CE1-NZ 3.33Å; F39-K287 VanDerWaalsContact CE2-NZ 3.26Å; F39-K287 VanDerWaalsContact CG-NZ 3.31Å; F39-K287 VanDerWaalsContact CZ-NZ 3.3Å; K287-D289 VanDerWaalsContact C-N 3.35Å; K287-R317 VanDerWaalsContact CD-O 3.25Å; K287-R317 WeakPolarHBondContact CD-O 3.47Å; K287-R317 WeakPolarHBondContact CE-O 3.45Å |
| 288 | G | 95.8 | Very high | 97.6 | Very high | 53 Ų | 53 | 16.2 Ų | 16.2 | 55% | 0.546 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91 | -18.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G286 S315 Q316 | G286-G288 PolarHBondContact O-N 2.81Å; G288-S315 VanDerWaalsContact O-CB 3.24Å; G288-S315 WeakPolarHBondContact O-CB 3.44Å; G288-Q316 PolarHBondContact N-O 3.32Å |
| 289 | D | 96.7 | Very high | 97.4 | Very high | 14 Ų | 14 | 20.4 Ų | 20.4 | 8% | 0.075 | 13% | 0.131 | C | C | . | . | trans | -73.1 | 151.4 | 176.2 | -67.2 | -39.4 | 0 | 0 | 0 | 111.5 | R245 G286 K287 S315 Q316 | R245-D289 IonicContact CZ-OD1 3.86Å; R245-D289 IonicContact CZ-OD2 3.78Å; R245-D289 VanDerWaalsContact NH1-CG 3.31Å; R245-D289 IonicContact NH1-OD1 3.58Å; R245-D289 PolarHBondContact NH1-OD1 3.01Å; R245-D289 VanDerWaalsContact NH1-OD1 3.11Å; R245-D289 IonicContact NH1-OD2 3.22Å; R245-D289 PolarHBondContact NH1-OD2 3.5Å; R245-D289 IonicContact NH2-OD1 3.93Å; R245-D289 PolarHBondContact NH2-OD1 3.09Å; R245-D289 IonicContact NH2-OD2 3.38Å; R245-D289 PolarHBondContact NH2-OD2 2.68Å; G286-D289 VanDerWaalsContact CA-OD2 3.29Å; G286-D289 WeakPolarHBondContact CA-OD2 3.43Å; G286-D289 PolarHBondContact N-OD2 2.91Å; G286-D289 VanDerWaalsContact O-CB 3.29Å; G286-D289 WeakPolarHBondContact O-CB 3.12Å; G286-D289 PolarHBondContact O-N 3.07Å; K287-D289 VanDerWaalsContact C-N 3.35Å; D289-S315 CarbonylContact O-C 3.58Å; D289-S315 WeakPolarHBondContact O-CA 3.41Å; D289-Q316 WeakPolarHBondContact O-CG 3.25Å; D289-Q316 PolarHBondContact O-N 3.31Å | ||
| 290 | S | 96.9 | Very high | 97.2 | Very high | 45 Ų | 45 | 25.5 Ų | 25.5 | 32% | 0.315 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -104.3 | 8.6 | 169.5 | 73.5 | 0 | 0 | 0 | 0 | 113.1 | S312 E314 | S290-S312 WeakPolarHBondContact CB-O 3.42Å; S290-S312 PolarHBondContact O-N 3.1Å; S290-S312 PolarHBondContact O-OG 2.66Å; S290-S312 PolarHBondContact OG-O 2.99Å; S290-E314 WeakPolarHBondContact CA-O 3.15Å; S290-E314 VanDerWaalsContact CB-O 3.25Å; S290-E314 WeakPolarHBondContact CB-O 3.42Å |
| 291 | S | 97.4 | Very high | 96.9 | Very high | 13 Ų | 13 | 26 Ų | 26 | 9% | 0.091 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 156.8 | -174 | 64.5 | 0 | 0 | 0 | 0 | 113.5 | M309 F310 | S291-M309 VanDerWaalsContact CB-SD 3.59Å; S291-F310 CarbonylContact C-O 3.52Å; S291-F310 WeakPolarHBondContact CA-O 3.27Å; S291-F310 WeakPolarHBondContact CB-O 3.23Å |
| 292 | I | 98.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 113.6 | 172.2 | -54.8 | 172.1 | 0 | 0 | 0 | 106.6 | Y283 C285 M309 F310 M319 F337 I348 | Y283-I292 HydrophobicContact CD1-CG2 4.25Å; C285-I292 HydrophobicContact CB-CG1 4.11Å; C285-I292 HydrophobicContact CB-CG2 4.45Å; I292-M309 CarbonylContact O-C 3.52Å; I292-M309 VanDerWaalsContact O-CA 3.31Å; I292-M309 WeakPolarHBondContact O-CA 3.33Å; I292-F310 HydrophobicContact CB-CB 4.37Å; I292-F310 HydrophobicContact CB-CD1 4.46Å; I292-F310 HydrophobicContact CD1-CD1 4.12Å; I292-F310 HydrophobicContact CG1-CD1 4.18Å; I292-F310 PolarHBondContact N-O 3.26Å; I292-F310 PolarHBondContact O-N 3.03Å; I292-M319 HydrophobicContact CD1-CE 3.91Å; I292-M319 HydrophobicContact CD1-SD 4.49Å; I292-M319 HydrophobicContact CG1-CE 4.24Å; I292-F337 HydrophobicContact CD1-CB 4.22Å; I292-F337 HydrophobicContact CD1-CD1 4.43Å; I292-F337 HydrophobicContact CD1-CD2 4Å; I292-F337 HydrophobicContact CD1-CG 3.94Å; I292-F337 HydrophobicContact CG2-CE2 4.28Å; I292-F337 HydrophobicContact CG2-CZ 4.36Å; I292-I348 HydrophobicContact CD1-CD1 4.3Å |
| 293 | R | 98.6 | Very high | 96.6 | Very high | 29 Ų | 29 | 32.1 Ų | 32.1 | 11% | 0.109 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 150.4 | 174.4 | -69.2 | 179.6 | 177.2 | 88.2 | -4.6 | 109.6 | D265 Y283 L284 F295 M309 | D265-R293 IonicContact OD2-CZ 2.72Å; D265-R293 IonicContact OD2-NH1 3.87Å; D265-R293 PolarHBondContact OD2-NH1 3.21Å; D265-R293 IonicContact OD2-NH2 3.32Å; D265-R293 PolarHBondContact OD2-NH2 3.37Å; Y283-R293 CarbonylContact C-O 3.54Å; Y283-R293 WeakPolarHBondContact CA-O 2.95Å; L284-R293 HydrophobicContact CB-CB 4.42Å; L284-R293 PolarHBondContact N-O 3.34Å; L284-R293 PolarHBondContact O-N 3.32Å; R293-F295 HydrophobicContact CB-CE2 3.95Å; R293-M309 HydrophobicContact CG-CB 4.33Å; R293-M309 HydrophobicContact CG-CE 3.39Å; R293-M309 HydrophobicContact CG-CG 4.18Å |
| 294 | Y | 98.5 | Very high | 96.5 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 145 | 174.5 | 39.7 | -83.6 | 0 | 0 | 0 | 112.8 | V14 V282 Y283 L307 S308 F310 M350 | V14-Y294 HydrophobicContact CB-CE2 4.12Å; V14-Y294 HydrophobicContact CG1-CE2 4.01Å; V14-Y294 PolarHBondContact O-OH 3.14Å; V14-Y294 VanDerWaalsContact O-OH 3.08Å; V282-Y294 CarbonylContact O-C 3.58Å; V282-Y294 WeakPolarHBondContact O-CA 3.34Å; Y283-Y294 AromaticContact CD1-CD1 3.97Å; Y283-Y294 HydrophobicContact CD1-CD1 3.97Å; Y283-Y294 AromaticContact CD1-CG 3.96Å; Y283-Y294 HydrophobicContact CD1-CG 3.96Å; Y283-Y294 HydrophobicContact CE1-CD1 4.17Å; Y283-Y294 AromaticContact CE1-CG 3.98Å; Y283-Y294 HydrophobicContact CE1-CG 3.98Å; Y294-L307 HydrophobicContact CD2-CB 3.72Å; Y294-L307 HydrophobicContact CD2-CD1 4.07Å; Y294-L307 HydrophobicContact CE2-CB 4.08Å; Y294-L307 WeakPolarHBondContact O-CB 3.32Å; Y294-L307 PolarHBondContact O-N 3.15Å; Y294-S308 PolarHBondContact N-O 3.4Å; Y294-S308 WeakPolarHBondContact OH-CB 3.48Å; Y294-F310 HydrophobicContact CE1-CB 4.48Å; Y294-M350 HydrophobicContact CD1-CE 3.84Å; Y294-M350 HydrophobicContact CE1-CE 3.39Å |
| 295 | F | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 152.8 | -174.2 | -57.3 | -106.3 | 0 | 0 | 0 | 109.1 | V247 Q262 L264 I281 V282 L284 R293 L304 H305 Y306 | V247-F295 HydrophobicContact CG1-CE1 4.49Å; V247-F295 HydrophobicContact CG1-CZ 4.3Å; Q262-F295 VanDerWaalsContact OE1-CE1 3.31Å; L264-F295 HydrophobicContact CD2-CZ 3.71Å; I281-F295 CarbonylContact C-O 3.55Å; I281-F295 VanDerWaalsContact CA-O 3.25Å; I281-F295 WeakPolarHBondContact CA-O 3.22Å; I281-F295 WeakPolarHBondContact CG2-O 3.41Å; V282-F295 HydrophobicContact CG1-CB 3.78Å; V282-F295 HydrophobicContact CG1-CD2 4.46Å; V282-F295 PolarHBondContact N-O 3.02Å; V282-F295 PolarHBondContact O-N 3.34Å; L284-F295 HydrophobicContact CD1-CD2 4.14Å; L284-F295 HydrophobicContact CD1-CE2 3.63Å; L284-F295 HydrophobicContact CD1-CZ 4.47Å; L284-F295 HydrophobicContact CG-CD2 4.34Å; L284-F295 HydrophobicContact CG-CE2 4.17Å; R293-F295 HydrophobicContact CB-CE2 3.95Å; F295-L304 HydrophobicContact CB-CD1 3.56Å; F295-L304 HydrophobicContact CB-CG 4.13Å; F295-L304 HydrophobicContact CD1-CD1 4.4Å; F295-L304 HydrophobicContact CD1-CD2 4.42Å; F295-L304 HydrophobicContact CD1-CG 4.06Å; F295-L304 HydrophobicContact CG-CD1 4.17Å; F295-L304 HydrophobicContact CG-CG 4.33Å; F295-H305 CarbonylContact C-O 3.51Å; F295-H305 WeakPolarHBondContact CA-O 3.19Å; F295-H305 WeakPolarHBondContact CB-O 3.46Å; F295-Y306 VanDerWaalsContact CD1-CA 3.42Å; F295-Y306 HydrophobicContact CD1-CD2 4.12Å; F295-Y306 HydrophobicContact CD1-CG 4.49Å; F295-Y306 AromaticContact CE1-CD2 3.61Å; F295-Y306 HydrophobicContact CE1-CD2 3.61Å; F295-Y306 HydrophobicContact CE1-CG 4.12Å; F295-Y306 HydrophobicContact CE2-CD2 4.25Å; F295-Y306 AromaticContact CZ-CD2 3.67Å; F295-Y306 HydrophobicContact CZ-CD2 3.67Å; F295-Y306 HydrophobicContact CZ-CE2 4.42Å |
| 296 | E | 98.2 | Very high | 96.5 | Very high | 18 Ų | 18 | 38.7 Ų | 38.7 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 131.5 | 172.8 | -169.6 | -177.5 | 178 | 0 | 0 | 109.6 | R7 S9 F11 T298 H305 L307 | R7-E296 IonicContact CZ-OE2 2.69Å; R7-E296 VanDerWaalsContact CZ-OE2 3.23Å; R7-E296 IonicContact NH1-OE2 3.46Å; R7-E296 PolarHBondContact NH1-OE2 2.97Å; R7-E296 IonicContact NH2-OE1 3.54Å; R7-E296 PolarHBondContact NH2-OE1 3.16Å; R7-E296 IonicContact NH2-OE2 3.63Å; R7-E296 PolarHBondContact NH2-OE2 3.25Å; S9-E296 VanDerWaalsContact CB-OE2 3.23Å; S9-E296 WeakPolarHBondContact CB-OE2 3.46Å; S9-E296 PolarHBondContact OG-OE2 2.96Å; F11-E296 HydrophobicContact CD2-CG 4.41Å; E296-T298 HydrophobicContact CG-CG2 4.05Å; E296-H305 PolarHBondContact N-O 3.46Å; E296-H305 PolarHBondContact O-N 3.44Å; E296-L307 HydrophobicContact CB-CD1 4.03Å; E296-L307 HydrophobicContact CB-CD2 4.01Å; E296-L307 HydrophobicContact CB-CG 4.02Å |
| 297 | I | 97.8 | Very high | 96.6 | Very high | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 128.4 | 175.3 | -61.2 | 168.8 | 0 | 0 | 0 | 108.4 | V229 L235 L249 F275 N280 V282 F303 L304 | V229-I297 HydrophobicContact CB-CD1 3.71Å; V229-I297 HydrophobicContact CG1-CD1 3.77Å; V229-I297 HydrophobicContact CG2-CD1 3.93Å; L235-I297 HydrophobicContact CD1-CD1 4.21Å; L249-I297 HydrophobicContact CD1-CD1 4.22Å; L249-I297 HydrophobicContact CD1-CG2 4.47Å; L249-I297 HydrophobicContact CD2-CG2 4.13Å; F275-I297 HydrophobicContact CD2-CD1 4.26Å; F275-I297 HydrophobicContact CE2-CD1 4.04Å; N280-I297 HydrophobicContact CB-CB 4.41Å; N280-I297 WeakPolarHBondContact CB-O 3.44Å; N280-I297 PolarHBondContact O-N 2.66Å; V282-I297 HydrophobicContact CG1-CD1 4.32Å; I297-F303 CarbonylContact C-O 3.57Å; I297-F303 WeakPolarHBondContact CA-O 3.33Å; I297-L304 HydrophobicContact CD1-CD1 4.42Å; I297-L304 HydrophobicContact CG1-CD1 3.67Å |
| 298 | T | 96.1 | Very high | 96.7 | Very high | 28 Ų | 28 | 38.7 Ų | 38.7 | 17% | 0.172 | 23% | 0.232 | C | C | . | . | trans | -137.5 | 169.8 | 180 | 71 | 0 | 0 | 0 | 0 | 110.6 | E296 E300 F303 H305 | E296-T298 HydrophobicContact CG-CG2 4.05Å; T298-E300 VanDerWaalsContact C-N 3.28Å; T298-E300 PolarHBondContact OG1-N 3.14Å; T298-E300 PolarHBondContact OG1-O 3.23Å; T298-F303 PolarHBondContact N-O 3.25Å; T298-H305 PolarHBondContact OG1-CD2 3.47Å; T298-H305 VanDerWaalsContact OG1-CD2 3.28Å; T298-H305 PolarHBondContact OG1-NE2 3.5Å | ||
| 299 | S | 93.5 | Very high | 96.8 | Very high | 113 Ų | 113 | 38.9 Ų | 38.9 | 79% | 0.79 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -80 | -7 | 170.8 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | F303 | S299-F303 WeakPolarHBondContact O-CE1 3.49Š|
| 300 | E | 93.1 | Very high | 96.8 | Very high | 114 Ų | 114 | 39.1 Ų | 39.1 | 53% | 0.533 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -91.6 | 126.6 | -179.6 | -173.5 | -169.8 | 168.1 | 0 | 0 | 110.1 | T298 F303 H305 | T298-E300 VanDerWaalsContact C-N 3.28Å; T298-E300 PolarHBondContact OG1-N 3.14Å; T298-E300 PolarHBondContact OG1-O 3.23Å; E300-F303 WeakPolarHBondContact O-CA 3.18Å; E300-F303 PolarHBondContact O-N 3Å; E300-H305 PolarHBondContact O-NE2 2.92Å |
| 301 | A | 92.6 | Very high | 96.8 | Very high | 65 Ų | 65 | 41 Ų | 41 | 54% | 0.537 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | 137.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F303 | A301-F303 VanDerWaalsContact C-N 3.3Å; A301-F303 VanDerWaalsContact CA-N 3.29Å; A301-F303 HydrophobicContact CB-CE2 4.08Å; A301-F303 HydrophobicContact CB-CZ 4.13Å |
| 302 | P | 94.8 | Very high | 96.8 | Very high | 72 Ų | 72 | 42.1 Ų | 42.1 | 47% | 0.468 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -84.7 | 24.8 | 8.7 | 36.2 | -40.5 | 0 | 0 | 0 | 115.1 | S260 L304 | S260-P302 WeakPolarHBondContact CB-O 3.37Å; S260-P302 PolarHBondContact OG-O 2.73Å; P302-L304 PolarHBondContact O-N 2.82Å |
| 303 | F | 95.9 | Very high | 96.6 | Very high | 56 Ų | 56 | 52.1 Ų | 52.1 | 25% | 0.246 | 28% | 0.284 | C | S | . | . | S | Bend | trans | 68.8 | -47.3 | 174.8 | -49.1 | -77.4 | 0 | 0 | 0 | 115 | L249 L259 I297 T298 S299 E300 A301 H305 | L249-F303 HydrophobicContact CD2-CB 3.67Å; L259-F303 HydrophobicContact CB-CD2 3.88Å; L259-F303 HydrophobicContact CB-CE2 4.39Å; L259-F303 HydrophobicContact CB-CG 4.42Å; L259-F303 HydrophobicContact CD2-CE2 4.32Å; I297-F303 CarbonylContact C-O 3.57Å; I297-F303 WeakPolarHBondContact CA-O 3.33Å; T298-F303 PolarHBondContact N-O 3.25Å; S299-F303 WeakPolarHBondContact O-CE1 3.49Å; E300-F303 WeakPolarHBondContact O-CA 3.18Å; E300-F303 PolarHBondContact O-N 3Å; A301-F303 VanDerWaalsContact C-N 3.3Å; A301-F303 VanDerWaalsContact CA-N 3.29Å; A301-F303 HydrophobicContact CB-CE2 4.08Å; A301-F303 HydrophobicContact CB-CZ 4.13Å; F303-H305 PolarHBondContact O-CD2 3.2Å |
| 304 | L | 97.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 113.5 | 175.1 | -175.1 | 67.9 | 0 | 0 | 0 | 109.3 | L235 V247 L249 Q262 V282 F295 I297 P302 | L235-L304 HydrophobicContact CD1-CD1 4.18Å; V247-L304 HydrophobicContact CG1-CD2 3.94Å; V247-L304 HydrophobicContact CG2-CD2 3.93Å; L249-L304 HydrophobicContact CD2-CB 4.4Å; Q262-L304 PolarHBondContact NE2-O 2.88Å; V282-L304 HydrophobicContact CG1-CD1 4.06Å; F295-L304 HydrophobicContact CB-CD1 3.56Å; F295-L304 HydrophobicContact CB-CG 4.13Å; F295-L304 HydrophobicContact CD1-CD1 4.4Å; F295-L304 HydrophobicContact CD1-CD2 4.42Å; F295-L304 HydrophobicContact CD1-CG 4.06Å; F295-L304 HydrophobicContact CG-CD1 4.17Å; F295-L304 HydrophobicContact CG-CG 4.33Å; I297-L304 HydrophobicContact CD1-CD1 4.42Å; I297-L304 HydrophobicContact CG1-CD1 3.67Å; P302-L304 PolarHBondContact O-N 2.82Å |
| 305 | H | 97.7 | Very high | 96.3 | Very high | 26 Ų | 26 | 57.7 Ų | 57.7 | 12% | 0.12 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 118.9 | -174.6 | -62.5 | -96.9 | 0 | 0 | 0 | 110.3 | R7 F295 E296 T298 E300 F303 L307 | R7-H305 VanDerWaalsContact NH1-CB 3.34Å; F295-H305 CarbonylContact C-O 3.51Å; F295-H305 WeakPolarHBondContact CA-O 3.19Å; F295-H305 WeakPolarHBondContact CB-O 3.46Å; E296-H305 PolarHBondContact N-O 3.46Å; E296-H305 PolarHBondContact O-N 3.44Å; T298-H305 PolarHBondContact OG1-CD2 3.47Å; T298-H305 VanDerWaalsContact OG1-CD2 3.28Å; T298-H305 PolarHBondContact OG1-NE2 3.5Å; E300-H305 PolarHBondContact O-NE2 2.92Å; F303-H305 PolarHBondContact O-CD2 3.2Å; H305-L307 PolarHBondContact O-N 3.05Å |
| 306 | Y | 97.5 | Very high | 96.2 | Very high | 113 Ų | 113 | 57.6 Ų | 57.6 | 44% | 0.443 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 128.1 | 172.3 | 177.5 | -106.2 | 0 | 0 | 0 | 110.7 | F295 S308 M309 | F295-Y306 VanDerWaalsContact CD1-CA 3.42Å; F295-Y306 HydrophobicContact CD1-CD2 4.12Å; F295-Y306 HydrophobicContact CD1-CG 4.49Å; F295-Y306 AromaticContact CE1-CD2 3.61Å; F295-Y306 HydrophobicContact CE1-CD2 3.61Å; F295-Y306 HydrophobicContact CE1-CG 4.12Å; F295-Y306 HydrophobicContact CE2-CD2 4.25Å; F295-Y306 AromaticContact CZ-CD2 3.67Å; F295-Y306 HydrophobicContact CZ-CD2 3.67Å; F295-Y306 HydrophobicContact CZ-CE2 4.42Å; Y306-S308 WeakPolarHBondContact CE2-O 3.25Å; Y306-S308 VanDerWaalsContact OH-C 3.27Å; Y306-M309 WeakPolarHBondContact OH-CB 3.29Å; Y306-M309 PolarHBondContact OH-N 2.91Å |
| 307 | L | 97 | Very high | 96.2 | Very high | 6 Ų | 6 | 61.2 Ų | 61.2 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -68.9 | 176.3 | -67.5 | 177.8 | 0 | 0 | 0 | 110.4 | F11 I281 Y294 E296 H305 | F11-L307 HydrophobicContact CB-CD1 3.83Å; F11-L307 HydrophobicContact CB-CD2 4.38Å; I281-L307 HydrophobicContact CD1-CD1 4.06Å; I281-L307 HydrophobicContact CG1-CD1 4.13Å; Y294-L307 HydrophobicContact CD2-CB 3.72Å; Y294-L307 HydrophobicContact CD2-CD1 4.07Å; Y294-L307 HydrophobicContact CE2-CB 4.08Å; Y294-L307 WeakPolarHBondContact O-CB 3.32Å; Y294-L307 PolarHBondContact O-N 3.15Å; E296-L307 HydrophobicContact CB-CD1 4.03Å; E296-L307 HydrophobicContact CB-CD2 4.01Å; E296-L307 HydrophobicContact CB-CG 4.02Å; H305-L307 PolarHBondContact O-N 3.05Å |
| 308 | S | 97.3 | Very high | 96.1 | Very high | 36 Ų | 36 | 61 Ų | 61 | 25% | 0.252 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.9 | -170 | -178.2 | -163.5 | 0 | 0 | 0 | 0 | 110.7 | Y294 Y306 | Y294-S308 PolarHBondContact N-O 3.4Å; Y294-S308 WeakPolarHBondContact OH-CB 3.48Å; Y306-S308 WeakPolarHBondContact CE2-O 3.25Å; Y306-S308 VanDerWaalsContact OH-C 3.27Å |
| 309 | M | 97.4 | Very high | 96.2 | Very high | 58 Ų | 58 | 59.8 Ų | 59.8 | 29% | 0.286 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 134.1 | -179.2 | 173 | -167 | -69.9 | 0 | 0 | 109.2 | S291 I292 R293 Y306 | S291-M309 VanDerWaalsContact CB-SD 3.59Å; I292-M309 CarbonylContact O-C 3.52Å; I292-M309 VanDerWaalsContact O-CA 3.31Å; I292-M309 WeakPolarHBondContact O-CA 3.33Å; R293-M309 HydrophobicContact CG-CB 4.33Å; R293-M309 HydrophobicContact CG-CE 3.39Å; R293-M309 HydrophobicContact CG-CG 4.18Å; Y306-M309 WeakPolarHBondContact OH-CB 3.29Å; Y306-M309 PolarHBondContact OH-N 2.91Å |
| 310 | F | 98.3 | Very high | 96.5 | Very high | 18 Ų | 18 | 54.5 Ų | 54.5 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 132.9 | 161 | 165.9 | -97.3 | 0 | 0 | 0 | 108.6 | G16 P18 S291 I292 Y294 I348 | G16-F310 WeakPolarHBondContact O-CD2 3.49Å; P18-F310 HydrophobicContact CG-CE2 3.71Å; P18-F310 HydrophobicContact CG-CZ 3.69Å; S291-F310 CarbonylContact C-O 3.52Å; S291-F310 WeakPolarHBondContact CA-O 3.27Å; S291-F310 WeakPolarHBondContact CB-O 3.23Å; I292-F310 HydrophobicContact CB-CB 4.37Å; I292-F310 HydrophobicContact CB-CD1 4.46Å; I292-F310 HydrophobicContact CD1-CD1 4.12Å; I292-F310 HydrophobicContact CG1-CD1 4.18Å; I292-F310 PolarHBondContact N-O 3.26Å; I292-F310 PolarHBondContact O-N 3.03Å; Y294-F310 HydrophobicContact CE1-CB 4.48Å; F310-I348 HydrophobicContact CD1-CD1 4.31Å; F310-I348 HydrophobicContact CD2-CG2 4.41Å; F310-I348 HydrophobicContact CE1-CD1 3.62Å; F310-I348 HydrophobicContact CE1-CG2 4.42Å; F310-I348 HydrophobicContact CE2-CG2 4.32Å; F310-I348 HydrophobicContact CZ-CD1 4Å; F310-I348 HydrophobicContact CZ-CG2 4.32Å |
| 311 | S | 97.2 | Very high | 96.7 | Very high | 86 Ų | 86 | 51.3 Ų | 51.3 | 60% | 0.601 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 146.4 | 179.1 | 61 | 0 | 0 | 0 | 0 | 111.4 | ||
| 312 | S | 96.5 | Very high | 97 | Very high | 36 Ų | 36 | 48.2 Ų | 48.2 | 25% | 0.252 | 24% | 0.243 | S | C | . | . | trans | -144.5 | 173.5 | 176.9 | 68.1 | 0 | 0 | 0 | 0 | 110.2 | S290 E314 K339 | S290-S312 WeakPolarHBondContact CB-O 3.42Å; S290-S312 PolarHBondContact O-N 3.1Å; S290-S312 PolarHBondContact O-OG 2.66Å; S290-S312 PolarHBondContact OG-O 2.99Å; S312-E314 PolarHBondContact OG-O 2.59Å; S312-K339 PolarHBondContact OG-NZ 3.04Å | ||
| 313 | K | 95.1 | Very high | 97.2 | Very high | 211 Ų | 211 | 46.9 Ų | 46.9 | 92% | 0.917 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -86.6 | -20 | 179.9 | -63.4 | -177.5 | -178 | 178.6 | 0 | 113.6 | ||
| 314 | E | 94.7 | Very high | 97.3 | Very high | 89 Ų | 89 | 45.2 Ų | 45.2 | 42% | 0.416 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -106.8 | 140.3 | -169.8 | -66.7 | 174.4 | -105.9 | 0 | 0 | 110.6 | S290 S312 K339 H341 R344 | S290-E314 WeakPolarHBondContact CA-O 3.15Å; S290-E314 VanDerWaalsContact CB-O 3.25Å; S290-E314 WeakPolarHBondContact CB-O 3.42Å; S312-E314 PolarHBondContact OG-O 2.59Å; E314-K339 PolarHBondContact O-NZ 2.81Å; E314-H341 IonicContact OE2-ND1 3.39Å; E314-R344 VanDerWaalsContact CD-CZ 3.48Å; E314-R344 IonicContact OE1-CZ 3.13Å; E314-R344 IonicContact OE1-NH1 2.68Å; E314-R344 PolarHBondContact OE1-NH1 2.7Å; E314-R344 IonicContact OE1-NH2 3.92Å; E314-R344 PolarHBondContact OE1-NH2 2.85Å; E314-R344 IonicContact OE2-CZ 3.96Å; E314-R344 IonicContact OE2-NH1 3.91Å; E314-R344 PolarHBondContact OE2-NH1 3.5Å; E314-R344 IonicContact OE2-NH2 2.79Å; E314-R344 PolarHBondContact OE2-NH2 2.73Å |
| 315 | S | 95.9 | Very high | 97.3 | Very high | 59 Ų | 59 | 46.1 Ų | 46.1 | 41% | 0.413 | 23% | 0.23 | S | C | . | . | trans | -80.8 | 143.9 | 179.9 | 53.2 | 0 | 0 | 0 | 0 | 111.9 | G288 D289 | G288-S315 VanDerWaalsContact O-CB 3.24Å; G288-S315 WeakPolarHBondContact O-CB 3.44Å; D289-S315 CarbonylContact O-C 3.58Å; D289-S315 WeakPolarHBondContact O-CA 3.41Å | ||
| 316 | Q | 96.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -82 | 136.9 | 175.3 | 67.3 | -169.9 | 56.4 | 0 | 0 | 111.8 | C285 G286 G288 D289 M319 K339 L340 | C285-Q316 PolarHBondContact SG-NE2 3.43Å; C285-Q316 VanDerWaalsContact SG-NE2 3.38Å; G286-Q316 WeakPolarHBondContact O-CG 3.35Å; G286-Q316 PolarHBondContact O-NE2 2.94Å; G286-Q316 VanDerWaalsContact O-NE2 3.13Å; G288-Q316 PolarHBondContact N-O 3.32Å; D289-Q316 WeakPolarHBondContact O-CG 3.25Å; D289-Q316 PolarHBondContact O-N 3.31Å; Q316-M319 HydrophobicContact CB-CE 4.3Å; Q316-K339 HydrophobicContact CB-CD 4.42Å; Q316-K339 HydrophobicContact CB-CG 4Å; Q316-L340 CarbonylContact C-O 3.58Å; Q316-L340 WeakPolarHBondContact CA-O 3.29Å | ||
| 317 | R | 96.9 | Very high | 97.2 | Very high | 94 Ų | 94 | 40.9 Ų | 40.9 | 36% | 0.355 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -94 | -16.4 | 169.1 | -65.1 | -64.1 | -170.3 | 144.6 | 7.3 | 112.7 | V30 K287 L340 E342 | V30-R317 HydrophobicContact CG1-CB 4.18Å; K287-R317 VanDerWaalsContact CD-O 3.25Å; K287-R317 WeakPolarHBondContact CD-O 3.47Å; K287-R317 WeakPolarHBondContact CE-O 3.45Å; R317-L340 HydrophobicContact CB-CB 4.48Å; R317-L340 PolarHBondContact N-O 3.4Å; R317-E342 IonicContact NH2-OE2 2.78Å |
| 318 | G | 97.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.7 | 170.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110 | G38 L340 | G38-G318 CarbonylContact O-C 3.56Å; G38-G318 WeakPolarHBondContact O-CA 3.47Å; G318-L340 PolarHBondContact O-N 2.74Å |
| 319 | M | 98.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 127.7 | -176.2 | -166.8 | 65.4 | 69 | 0 | 0 | 110.1 | G38 F274 C285 I292 Q316 F337 K339 | G38-M319 PolarHBondContact O-N 2.99Å; F274-M319 HydrophobicContact CE2-CG 4.44Å; F274-M319 HydrophobicContact CZ-CB 4.36Å; F274-M319 HydrophobicContact CZ-CG 4.39Å; C285-M319 HydrophobicContact CB-CE 4.44Å; I292-M319 HydrophobicContact CD1-CE 3.91Å; I292-M319 HydrophobicContact CD1-SD 4.49Å; I292-M319 HydrophobicContact CG1-CE 4.24Å; Q316-M319 HydrophobicContact CB-CE 4.3Å; M319-F337 HydrophobicContact CG-CD1 3.56Å; M319-F337 HydrophobicContact CG-CE1 4.24Å; M319-F337 HydrophobicContact CG-CG 4.5Å; M319-F337 HydrophobicContact SD-CB 3.69Å; M319-F337 HydrophobicContact SD-CD1 3.71Å; M319-F337 HydrophobicContact SD-CG 4.07Å; M319-K339 HydrophobicContact CE-CB 3.9Å; M319-K339 HydrophobicContact CE-CD 4.4Å; M319-K339 HydrophobicContact CE-CG 3.87Å; M319-K339 VanDerWaalsContact SD-CA 3.58Å; M319-K339 HydrophobicContact SD-CB 3.89Å; M319-K339 HydrophobicContact SD-CG 4.48Å |
| 320 | G | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 157.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | C40 F337 Y338 | C40-G320 WeakPolarHBondContact O-CA 3.3Å; G320-F337 CarbonylContact O-C 3.55Å; G320-F337 WeakPolarHBondContact O-CA 3.46Å; G320-Y338 PolarHBondContact N-O 3.34Å; G320-Y338 PolarHBondContact O-N 3.02Å |
| 321 | Y | 98.7 | Very high | 96.7 | Very high | 48 Ų | 48 | 54 Ų | 54 | 19% | 0.188 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 121.8 | -179.7 | 179.8 | -96.4 | 0 | 0 | 0 | 110.3 | V42 F274 Y283 P323 A335 F337 | V42-Y321 VanDerWaalsContact CG2-O 3.24Å; V42-Y321 WeakPolarHBondContact CG2-O 3.38Å; F274-Y321 HydrophobicContact CB-CD2 4.28Å; F274-Y321 HydrophobicContact CD1-CD2 4.31Å; F274-Y321 AromaticContact CD1-CG 3.95Å; F274-Y321 HydrophobicContact CD1-CG 3.95Å; F274-Y321 HydrophobicContact CG-CD2 4.49Å; Y283-Y321 HydrophobicContact CD2-CE2 4.38Å; Y283-Y321 HydrophobicContact CE2-CE2 4.45Å; Y321-P323 WeakPolarHBondContact O-CD 3.43Å; Y321-A335 HydrophobicContact CE2-CB 3.71Å; Y321-F337 HydrophobicContact CD2-CD1 4.15Å; Y321-F337 AromaticContact CD2-CE1 3.6Å; Y321-F337 HydrophobicContact CD2-CE1 3.6Å; Y321-F337 HydrophobicContact CD2-CE2 4.36Å; Y321-F337 AromaticContact CD2-CZ 3.69Å; Y321-F337 HydrophobicContact CD2-CZ 3.69Å; Y321-F337 HydrophobicContact CE2-CE1 4.33Å; Y321-F337 HydrophobicContact CE2-CE2 4.44Å; Y321-F337 AromaticContact CE2-CZ 3.95Å; Y321-F337 HydrophobicContact CE2-CZ 3.95Å |
| 322 | M | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -72.4 | 125.7 | -176.9 | -177.9 | 54.1 | 69.9 | 0 | 0 | 111.9 | V42 N43 L64 L327 R336 Y338 | V42-M322 HydrophobicContact CB-CE 4.12Å; V42-M322 HydrophobicContact CG2-CB 4.26Å; V42-M322 HydrophobicContact CG2-CE 4.18Å; N43-M322 WeakPolarHBondContact O-CE 3.38Å; L64-M322 HydrophobicContact CD1-CE 3.81Å; L64-M322 HydrophobicContact CD2-CE 4.14Å; M322-L327 HydrophobicContact CB-CD2 4.04Å; M322-L327 HydrophobicContact CG-CD2 3.83Å; M322-R336 HydrophobicContact CB-CB 3.73Å; M322-R336 WeakPolarHBondContact CB-O 3.25Å; M322-R336 HydrophobicContact CG-CB 4.35Å; M322-R336 PolarHBondContact N-O 2.73Å; M322-Y338 HydrophobicContact CB-CE2 4.25Å; M322-Y338 HydrophobicContact CE-CE2 3.56Å; M322-Y338 VanDerWaalsContact CE-OH 3.3Å; M322-Y338 WeakPolarHBondContact CE-OH 3.04Å | ||
| 323 | P | 98.2 | Very high | 96.7 | Very high | 44 Ų | 44 | 48.7 Ų | 48.7 | 29% | 0.286 | 24% | 0.237 | S | C | . | . | trans | -58.2 | 151.3 | 168.2 | -25.2 | 35 | 0 | 0 | 0 | 112.2 | V42 Y321 R325 G326 | V42-P323 VanDerWaalsContact O-CD 3.27Å; V42-P323 WeakPolarHBondContact O-CD 3.41Å; Y321-P323 WeakPolarHBondContact O-CD 3.43Å; P323-R325 PolarHBondContact O-N 2.85Å; P323-G326 PolarHBondContact O-N 2.81Å | ||
| 324 | K | 97.9 | Very high | 96.9 | Very high | 20 Ų | 20 | 38.6 Ų | 38.6 | 9% | 0.087 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -50 | -36.9 | -176.1 | -70.7 | -72.8 | -177.4 | -177.1 | 0 | 114.9 | D276 D278 G326 L327 I334 T367 L392 | D276-K324 VanDerWaalsContact CG-CE 3.42Å; D276-K324 WeakPolarHBondContact OD1-CE 3.46Å; D276-K324 IonicContact OD1-NZ 3.95Å; D276-K324 PolarHBondContact OD1-NZ 3.5Å; D276-K324 VanDerWaalsContact OD1-NZ 3.1Å; D276-K324 WeakPolarHBondContact OD2-CE 3.45Å; D276-K324 IonicContact OD2-NZ 3.31Å; D276-K324 PolarHBondContact OD2-NZ 2.98Å; D278-K324 WeakPolarHBondContact OD2-CD 3.47Å; D278-K324 VanDerWaalsContact OD2-CE 3.25Å; D278-K324 WeakPolarHBondContact OD2-CE 3.18Å; D278-K324 WeakPolarHBondContact OD2-CG 3.41Å; K324-G326 PolarHBondContact O-N 2.86Å; K324-L327 HydrophobicContact CD-CD1 3.79Å; K324-L327 PolarHBondContact O-N 2.82Å; K324-I334 PolarHBondContact NZ-O 2.89Å; K324-T367 HydrophobicContact CB-CG2 3.91Å; K324-L392 HydrophobicContact CB-CD1 4.15Å |
| 325 | R | 97.2 | Very high | 97.1 | Very high | 21 Ų | 21 | 34.4 Ų | 34.4 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -61.3 | -21.8 | 178.3 | -68 | -175.5 | -69.1 | 109.5 | -1.4 | 114.3 | P44 D94 P323 I390 L392 Y396 | P44-R325 HydrophobicContact CG-CB 3.73Å; D94-R325 IonicContact OD1-CZ 2.69Å; D94-R325 IonicContact OD1-NH1 2.72Å; D94-R325 PolarHBondContact OD1-NH1 3.45Å; D94-R325 VanDerWaalsContact OD1-NH1 3.13Å; D94-R325 IonicContact OD1-NH2 3.73Å; D94-R325 PolarHBondContact OD1-NH2 3.29Å; D94-R325 IonicContact OD2-CZ 3.11Å; D94-R325 IonicContact OD2-NH1 3.2Å; D94-R325 PolarHBondContact OD2-NH1 3.06Å; D94-R325 IonicContact OD2-NH2 2.99Å; P323-R325 PolarHBondContact O-N 2.85Å; R325-I390 HydrophobicContact CG-CD1 3.88Å; R325-L392 HydrophobicContact CG-CD2 4.43Å; R325-Y396 HydrophobicContact CB-CD2 4.12Å; R325-Y396 HydrophobicContact CB-CE2 4.45Å |
| 326 | G | 97 | Very high | 97.2 | Very high | 14 Ų | 14 | 33 Ų | 33 | 14% | 0.144 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -101.5 | 8.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | P323 K324 | P323-G326 PolarHBondContact O-N 2.81Å; K324-G326 PolarHBondContact O-N 2.86Å |
| 327 | L | 97.6 | Very high | 97.3 | Very high | 15 Ų | 15 | 33 Ų | 33 | 8% | 0.079 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -86.1 | 150.5 | 179.7 | -58.3 | -178.8 | 0 | 0 | 0 | 112.4 | M322 K324 V329 E333 I334 R336 | M322-L327 HydrophobicContact CB-CD2 4.04Å; M322-L327 HydrophobicContact CG-CD2 3.83Å; K324-L327 HydrophobicContact CD-CD1 3.79Å; K324-L327 PolarHBondContact O-N 2.82Å; L327-V329 PolarHBondContact O-N 2.83Å; L327-V329 VanDerWaalsContact O-N 3.11Å; L327-E333 WeakPolarHBondContact CA-OE2 3.27Å; L327-E333 HydrophobicContact CD2-CG 4.27Å; L327-I334 VanDerWaalsContact CD1-C 3.47Å; L327-I334 VanDerWaalsContact CD1-O 3.25Å; L327-I334 WeakPolarHBondContact CD1-O 3.3Å; L327-R336 HydrophobicContact CD2-CB 3.9Å |
| 328 | E | 95.4 | Very high | 97.4 | Very high | 81 Ų | 81 | 28.8 Ų | 28.8 | 38% | 0.379 | 14% | 0.143 | S | C | . | . | trans | -84.5 | 79 | 173.2 | -77.3 | 170.7 | -138.8 | 0 | 0 | 111.1 | N330 K331 E333 R336 | E328-N330 PolarHBondContact O-N 2.86Å; E328-K331 HydrophobicContact CB-CB 4.32Å; E328-K331 HydrophobicContact CB-CG 4.44Å; E328-K331 PolarHBondContact O-N 3.34Å; E328-K331 WeakPolarHBondContact OE2-CD 3.4Å; E328-K331 WeakPolarHBondContact OE2-CE 3.17Å; E328-K331 IonicContact OE2-NZ 3.17Å; E328-K331 PolarHBondContact OE2-NZ 2.79Å; E328-E333 HydrophobicContact CB-CB 4.34Å; E328-E333 PolarHBondContact N-OE2 2.84Å; E328-E333 PolarHBondContact O-N 3.46Å; E328-R336 VanDerWaalsContact CD-NH2 3.3Å; E328-R336 VanDerWaalsContact CG-NH2 3.31Å; E328-R336 IonicContact OE1-CZ 2.71Å; E328-R336 IonicContact OE1-NH2 3.3Å; E328-R336 PolarHBondContact OE1-NH2 2.94Å | ||
| 329 | V | 95.3 | Very high | 97.5 | Very high | 18 Ų | 18 | 28.8 Ų | 28.8 | 11% | 0.109 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -54.5 | -39.4 | -179.9 | 178.2 | 0 | 0 | 0 | 0 | 112.3 | L327 K331 C332 F359 Y364 L392 | L327-V329 PolarHBondContact O-N 2.83Å; L327-V329 VanDerWaalsContact O-N 3.11Å; V329-K331 PolarHBondContact O-N 2.86Å; V329-K331 VanDerWaalsContact O-N 3.1Å; V329-C332 PolarHBondContact O-N 2.92Å; V329-F359 HydrophobicContact CG1-CD2 3.55Å; V329-F359 HydrophobicContact CG1-CE2 3.33Å; V329-F359 HydrophobicContact CG1-CZ 4.48Å; V329-Y364 HydrophobicContact CB-CD2 4.48Å; V329-Y364 HydrophobicContact CB-CE1 4.44Å; V329-Y364 HydrophobicContact CB-CE2 4.16Å; V329-Y364 HydrophobicContact CG1-CD1 4.34Å; V329-Y364 HydrophobicContact CG1-CD2 3.41Å; V329-Y364 VanDerWaalsContact CG1-CD2 3.41Å; V329-Y364 HydrophobicContact CG1-CE1 4.3Å; V329-Y364 HydrophobicContact CG1-CE2 3.38Å; V329-Y364 HydrophobicContact CG1-CG 3.91Å; V329-Y364 HydrophobicContact CG2-CD1 4.2Å; V329-Y364 HydrophobicContact CG2-CE1 4.05Å; V329-L392 HydrophobicContact CG2-CB 4.02Å; V329-L392 HydrophobicContact CG2-CD1 4.31Å |
| 330 | N | 93.4 | Very high | 97.5 | Very high | 155 Ų | 155 | 28.7 Ų | 28.7 | 83% | 0.829 | 14% | 0.143 | S | C | * | . | G | 310 helix | trans | -62.7 | -18.9 | 178.3 | -63.9 | -16.9 | 0 | 0 | 0 | 113.3 | E328 | E328-N330 PolarHBondContact O-N 2.86Š|
| 331 | K | 94.8 | Very high | 97.4 | Very high | 138 Ų | 138 | 29 Ų | 29 | 60% | 0.6 | 14% | 0.143 | S | C | * | . | G | 310 helix | trans | -103.2 | 10.7 | 176.1 | -61.6 | -170.5 | -169.3 | 158 | 0 | 113 | E328 V329 E333 T351 | E328-K331 HydrophobicContact CB-CB 4.32Å; E328-K331 HydrophobicContact CB-CG 4.44Å; E328-K331 PolarHBondContact O-N 3.34Å; E328-K331 WeakPolarHBondContact OE2-CD 3.4Å; E328-K331 WeakPolarHBondContact OE2-CE 3.17Å; E328-K331 IonicContact OE2-NZ 3.17Å; E328-K331 PolarHBondContact OE2-NZ 2.79Å; V329-K331 PolarHBondContact O-N 2.86Å; V329-K331 VanDerWaalsContact O-N 3.1Å; K331-E333 PolarHBondContact O-N 2.77Å; K331-T351 WeakPolarHBondContact O-CG2 3.35Å |
| 332 | C | 96.7 | Very high | 97.1 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 4% | 0.041 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 31.8 | -175.3 | -62.9 | 0 | 0 | 0 | 0 | 113.3 | V329 I334 T351 V352 L363 Y364 | V329-C332 PolarHBondContact O-N 2.92Å; C332-I334 PolarHBondContact O-N 2.89Å; C332-T351 WeakPolarHBondContact O-CA 3.25Å; C332-V352 HydrophobicContact CB-CB 4.49Å; C332-V352 WeakPolarHBondContact CB-O 3.18Å; C332-V352 PolarHBondContact O-N 3.08Å; C332-L363 HydrophobicContact CB-CD1 4.3Å; C332-Y364 WeakPolarHBondContact CA-OH 3.31Å |
| 333 | E | 97.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 2% | 0.023 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 120.7 | 171.3 | -175 | -177 | -136 | 0 | 0 | 110 | L327 E328 K331 A335 R336 A349 M350 Y364 | L327-E333 WeakPolarHBondContact CA-OE2 3.27Å; L327-E333 HydrophobicContact CD2-CG 4.27Å; E328-E333 HydrophobicContact CB-CB 4.34Å; E328-E333 PolarHBondContact N-OE2 2.84Å; E328-E333 PolarHBondContact O-N 3.46Å; K331-E333 PolarHBondContact O-N 2.77Å; E333-A335 WeakPolarHBondContact CG-O 3.41Å; E333-R336 VanDerWaalsContact OE1-CB 3.31Å; E333-R336 WeakPolarHBondContact OE1-CB 3.47Å; E333-R336 WeakPolarHBondContact OE1-CG 3.39Å; E333-R336 IonicContact OE1-CZ 3.87Å; E333-R336 IonicContact OE1-NE 3.72Å; E333-R336 PolarHBondContact OE1-NE 2.98Å; E333-R336 IonicContact OE1-NH2 3.43Å; E333-R336 PolarHBondContact OE1-NH2 3.28Å; E333-R336 IonicContact OE2-CZ 3.77Å; E333-R336 VanDerWaalsContact OE2-CZ 3.31Å; E333-R336 IonicContact OE2-NE 3.52Å; E333-R336 PolarHBondContact OE2-NE 2.79Å; E333-R336 IonicContact OE2-NH2 2.75Å; E333-R336 PolarHBondContact OE2-NH2 3.18Å; E333-A349 HydrophobicContact CG-CB 4.22Å; E333-A349 WeakPolarHBondContact OE1-CA 3.29Å; E333-A349 WeakPolarHBondContact OE1-CB 3.38Å; E333-M350 WeakPolarHBondContact CA-O 3.23Å; E333-Y364 PolarHBondContact N-OH 3.21Å; E333-Y364 VanDerWaalsContact N-OH 3.08Å; E333-Y364 WeakPolarHBondContact O-CE1 3.4Å; E333-Y364 PolarHBondContact O-OH 3.19Å |
| 334 | I | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -18.2 | -177.7 | 56.6 | 162.1 | 0 | 0 | 0 | 113.4 | F11 V14 I281 K324 L327 C332 M350 V352 Y364 | F11-I334 HydrophobicContact CD1-CD1 4.25Å; F11-I334 HydrophobicContact CE1-CD1 4.48Å; V14-I334 HydrophobicContact CG1-CD1 4.17Å; V14-I334 HydrophobicContact CG2-CD1 3.66Å; I281-I334 HydrophobicContact CD1-CD1 3.78Å; K324-I334 PolarHBondContact NZ-O 2.89Å; L327-I334 VanDerWaalsContact CD1-C 3.47Å; L327-I334 VanDerWaalsContact CD1-O 3.25Å; L327-I334 WeakPolarHBondContact CD1-O 3.3Å; C332-I334 PolarHBondContact O-N 2.89Å; I334-M350 HydrophobicContact CG1-CB 4.38Å; I334-M350 WeakPolarHBondContact CG1-O 3.17Å; I334-M350 PolarHBondContact N-O 2.89Å; I334-V352 HydrophobicContact CD1-CG2 3.79Å; I334-V352 HydrophobicContact CG1-CG2 4.11Å; I334-V352 HydrophobicContact CG2-CG2 3.64Å; I334-Y364 HydrophobicContact CG2-CE1 4.46Å |
| 335 | A | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 153.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y283 Y321 E333 F337 M350 | Y283-A335 HydrophobicContact CE2-CB 4.03Å; Y321-A335 HydrophobicContact CE2-CB 3.71Å; E333-A335 WeakPolarHBondContact CG-O 3.41Å; A335-F337 HydrophobicContact CB-CE2 4.41Å; A335-M350 HydrophobicContact CB-CB 3.99Å; A335-M350 HydrophobicContact CB-CG 4.04Å; A335-M350 WeakPolarHBondContact O-CB 3.15Å; A335-M350 PolarHBondContact O-N 2.94Å |
| 336 | R | 98.8 | Very high | 96.9 | Very high | 30 Ų | 30 | 39.1 Ų | 39.1 | 11% | 0.113 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 121.2 | 171.2 | -168.1 | -175.2 | -63.2 | 172.2 | -7.5 | 109.7 | M322 L327 E328 E333 Y338 I348 | M322-R336 HydrophobicContact CB-CB 3.73Å; M322-R336 WeakPolarHBondContact CB-O 3.25Å; M322-R336 HydrophobicContact CG-CB 4.35Å; M322-R336 PolarHBondContact N-O 2.73Å; L327-R336 HydrophobicContact CD2-CB 3.9Å; E328-R336 VanDerWaalsContact CD-NH2 3.3Å; E328-R336 VanDerWaalsContact CG-NH2 3.31Å; E328-R336 IonicContact OE1-CZ 2.71Å; E328-R336 IonicContact OE1-NH2 3.3Å; E328-R336 PolarHBondContact OE1-NH2 2.94Å; E333-R336 VanDerWaalsContact OE1-CB 3.31Å; E333-R336 WeakPolarHBondContact OE1-CB 3.47Å; E333-R336 WeakPolarHBondContact OE1-CG 3.39Å; E333-R336 IonicContact OE1-CZ 3.87Å; E333-R336 IonicContact OE1-NE 3.72Å; E333-R336 PolarHBondContact OE1-NE 2.98Å; E333-R336 IonicContact OE1-NH2 3.43Å; E333-R336 PolarHBondContact OE1-NH2 3.28Å; E333-R336 IonicContact OE2-CZ 3.77Å; E333-R336 VanDerWaalsContact OE2-CZ 3.31Å; E333-R336 IonicContact OE2-NE 3.52Å; E333-R336 PolarHBondContact OE2-NE 2.79Å; E333-R336 IonicContact OE2-NH2 2.75Å; E333-R336 PolarHBondContact OE2-NH2 3.18Å; R336-Y338 HydrophobicContact CG-CD2 4.49Å; R336-Y338 HydrophobicContact CG-CE2 3.92Å; R336-I348 WeakPolarHBondContact CA-O 3.06Å |
| 337 | F | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 146.3 | 175.7 | -75.4 | -79 | 0 | 0 | 0 | 110.6 | F274 Y283 I292 M319 G320 Y321 A335 P347 I348 M350 | F274-F337 HydrophobicContact CB-CE1 4.48Å; F274-F337 HydrophobicContact CD2-CE1 4.12Å; F274-F337 HydrophobicContact CG-CE1 4.19Å; Y283-F337 VanDerWaalsContact CB-CZ 3.46Å; Y283-F337 AromaticContact CD1-CE2 3.59Å; Y283-F337 HydrophobicContact CD1-CE2 3.59Å; Y283-F337 AromaticContact CD1-CZ 3.79Å; Y283-F337 HydrophobicContact CD1-CZ 3.79Å; Y283-F337 HydrophobicContact CD2-CE2 4.28Å; Y283-F337 AromaticContact CD2-CZ 3.91Å; Y283-F337 HydrophobicContact CD2-CZ 3.91Å; Y283-F337 HydrophobicContact CE1-CE2 4.03Å; Y283-F337 AromaticContact CG-CE2 3.76Å; Y283-F337 HydrophobicContact CG-CE2 3.76Å; Y283-F337 AromaticContact CG-CZ 3.45Å; Y283-F337 HydrophobicContact CG-CZ 3.45Å; Y283-F337 VanDerWaalsContact CG-CZ 3.45Å; I292-F337 HydrophobicContact CD1-CB 4.22Å; I292-F337 HydrophobicContact CD1-CD1 4.43Å; I292-F337 HydrophobicContact CD1-CD2 4Å; I292-F337 HydrophobicContact CD1-CG 3.94Å; I292-F337 HydrophobicContact CG2-CE2 4.28Å; I292-F337 HydrophobicContact CG2-CZ 4.36Å; M319-F337 HydrophobicContact CG-CD1 3.56Å; M319-F337 HydrophobicContact CG-CE1 4.24Å; M319-F337 HydrophobicContact CG-CG 4.5Å; M319-F337 HydrophobicContact SD-CB 3.69Å; M319-F337 HydrophobicContact SD-CD1 3.71Å; M319-F337 HydrophobicContact SD-CG 4.07Å; G320-F337 CarbonylContact O-C 3.55Å; G320-F337 WeakPolarHBondContact O-CA 3.46Å; Y321-F337 HydrophobicContact CD2-CD1 4.15Å; Y321-F337 AromaticContact CD2-CE1 3.6Å; Y321-F337 HydrophobicContact CD2-CE1 3.6Å; Y321-F337 HydrophobicContact CD2-CE2 4.36Å; Y321-F337 AromaticContact CD2-CZ 3.69Å; Y321-F337 HydrophobicContact CD2-CZ 3.69Å; Y321-F337 HydrophobicContact CE2-CE1 4.33Å; Y321-F337 HydrophobicContact CE2-CE2 4.44Å; Y321-F337 AromaticContact CE2-CZ 3.95Å; Y321-F337 HydrophobicContact CE2-CZ 3.95Å; A335-F337 HydrophobicContact CB-CE2 4.41Å; F337-P347 CarbonylContact O-C 3.52Å; F337-P347 VanDerWaalsContact O-CA 3.22Å; F337-P347 WeakPolarHBondContact O-CA 3.34Å; F337-I348 HydrophobicContact CB-CB 4.28Å; F337-I348 PolarHBondContact N-O 3.15Å; F337-I348 PolarHBondContact O-N 3.48Å; F337-M350 HydrophobicContact CD2-CG 3.81Å; F337-M350 HydrophobicContact CD2-SD 4.22Å; F337-M350 HydrophobicContact CE2-CG 3.84Å; F337-M350 HydrophobicContact CE2-SD 4.44Å |
| 338 | Y | 98.8 | Very high | 97 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 2% | 0.02 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 87.5 | 172.8 | -77.9 | -109.4 | 0 | 0 | 0 | 107.6 | Y25 V42 V47 L64 G320 M322 R336 L340 P347 | Y25-Y338 HydrophobicContact CE2-CD1 4.23Å; Y25-Y338 AromaticContact CE2-CE1 3.93Å; Y25-Y338 HydrophobicContact CE2-CE1 3.93Å; V42-Y338 HydrophobicContact CB-CD2 4.16Å; V42-Y338 HydrophobicContact CB-CE2 4.29Å; V42-Y338 HydrophobicContact CB-CG 4.47Å; V42-Y338 HydrophobicContact CG1-CD1 3.8Å; V42-Y338 HydrophobicContact CG1-CD2 3.71Å; V42-Y338 HydrophobicContact CG1-CE1 4.2Å; V42-Y338 HydrophobicContact CG1-CE2 4.15Å; V42-Y338 HydrophobicContact CG1-CG 3.54Å; V42-Y338 HydrophobicContact CG2-CD2 3.77Å; V42-Y338 HydrophobicContact CG2-CE2 4.07Å; V42-Y338 HydrophobicContact CG2-CG 4.41Å; V47-Y338 HydrophobicContact CB-CD1 4.42Å; V47-Y338 HydrophobicContact CB-CE1 4.41Å; V47-Y338 HydrophobicContact CG2-CD1 4.07Å; L64-Y338 HydrophobicContact CD2-CE1 4.11Å; L64-Y338 WeakPolarHBondContact CD2-OH 3.38Å; G320-Y338 PolarHBondContact N-O 3.34Å; G320-Y338 PolarHBondContact O-N 3.02Å; M322-Y338 HydrophobicContact CB-CE2 4.25Å; M322-Y338 HydrophobicContact CE-CE2 3.56Å; M322-Y338 VanDerWaalsContact CE-OH 3.3Å; M322-Y338 WeakPolarHBondContact CE-OH 3.04Å; R336-Y338 HydrophobicContact CG-CD2 4.49Å; R336-Y338 HydrophobicContact CG-CE2 3.92Å; Y338-L340 PolarHBondContact O-N 3.1Å; Y338-P347 HydrophobicContact CD1-CG 4.23Å; Y338-P347 HydrophobicContact CE1-CB 4.45Å; Y338-P347 HydrophobicContact CE1-CG 4.01Å |
| 339 | K | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 118.2 | -174.2 | -179.9 | 177.2 | 174.3 | 174.5 | 0 | 109.8 | S312 E314 Q316 M319 H341 C345 E346 I348 | S312-K339 PolarHBondContact OG-NZ 3.04Å; E314-K339 PolarHBondContact O-NZ 2.81Å; Q316-K339 HydrophobicContact CB-CD 4.42Å; Q316-K339 HydrophobicContact CB-CG 4Å; M319-K339 HydrophobicContact CE-CB 3.9Å; M319-K339 HydrophobicContact CE-CD 4.4Å; M319-K339 HydrophobicContact CE-CG 3.87Å; M319-K339 VanDerWaalsContact SD-CA 3.58Å; M319-K339 HydrophobicContact SD-CB 3.89Å; M319-K339 HydrophobicContact SD-CG 4.48Å; K339-H341 WeakPolarHBondContact CE-CE1 3.29Å; K339-H341 PolarHBondContact O-CD2 3.37Å; K339-C345 WeakPolarHBondContact O-CA 3.45Å; K339-E346 PolarHBondContact N-O 2.96Å; K339-E346 PolarHBondContact O-N 3.13Å; K339-I348 HydrophobicContact CB-CD1 3.8Å; K339-I348 HydrophobicContact CD-CD1 3.81Å; K339-I348 HydrophobicContact CG-CD1 4.45Å |
| 340 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 129.4 | 171.7 | -59.7 | -173.5 | 0 | 0 | 0 | 109.7 | V30 F39 C40 L49 Q316 R317 G318 Y338 C345 | V30-L340 HydrophobicContact CG1-CB 4.31Å; V30-L340 HydrophobicContact CG1-CD1 3.9Å; V30-L340 HydrophobicContact CG2-CB 4.33Å; V30-L340 HydrophobicContact CG2-CD1 4.39Å; V30-L340 HydrophobicContact CG2-CD2 4.39Å; F39-L340 HydrophobicContact CB-CD1 3.87Å; C40-L340 HydrophobicContact CB-CD1 3.72Å; C40-L340 HydrophobicContact CB-CD2 4.14Å; C40-L340 HydrophobicContact CB-CG 3.81Å; L49-L340 HydrophobicContact CB-CD1 4.39Å; L49-L340 HydrophobicContact CB-CD2 4.22Å; L49-L340 HydrophobicContact CD2-CD2 4.49Å; Q316-L340 CarbonylContact C-O 3.58Å; Q316-L340 WeakPolarHBondContact CA-O 3.29Å; R317-L340 HydrophobicContact CB-CB 4.48Å; R317-L340 PolarHBondContact N-O 3.4Å; G318-L340 PolarHBondContact O-N 2.74Å; Y338-L340 PolarHBondContact O-N 3.1Å; L340-C345 HydrophobicContact CD2-CB 3.69Å |
| 341 | H | 96.1 | Very high | 97.5 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 3% | 0.028 | 13% | 0.128 | C | C | . | . | trans | -104.9 | -166.8 | 165.3 | -58.2 | -98.9 | 0 | 0 | 0 | 108.1 | V30 E314 K339 R344 E346 | V30-H341 WeakPolarHBondContact CG2-O 3.49Å; E314-H341 IonicContact OE2-ND1 3.39Å; K339-H341 WeakPolarHBondContact CE-CE1 3.29Å; K339-H341 PolarHBondContact O-CD2 3.37Å; H341-R344 HydrophobicContact CB-CG 3.59Å; H341-R344 PolarHBondContact CD2-NE 3.12Å; H341-R344 PolarHBondContact CE1-NH2 2.75Å; H341-R344 PolarHBondContact N-O 2.93Å; H341-R344 PolarHBondContact NE2-NE 3.02Å; H341-R344 PolarHBondContact NE2-NH2 3.37Å; H341-E346 IonicContact CD2-OE2 2.98Å; H341-E346 IonicContact CE1-OE2 2.81Å; H341-E346 PolarHBondContact CE1-OE2 2.71Å; H341-E346 IonicContact NE2-OE2 2.85Å; H341-E346 PolarHBondContact NE2-OE2 3.08Å | ||
| 342 | E | 91.7 | Very high | 97.7 | Very high | 114 Ų | 114 | 22 Ų | 22 | 53% | 0.533 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -64.7 | -45.8 | 178.6 | -169.3 | 172.9 | 145.7 | 0 | 0 | 112.8 | R317 | R317-E342 IonicContact NH2-OE2 2.78Š|
| 343 | R | 95.1 | Very high | 97.7 | Very high | 151 Ų | 151 | 25.1 Ų | 25.1 | 57% | 0.57 | 12% | 0.12 | S | C | * | . | S | Bend | trans | -128.4 | 17 | -177.2 | -62.4 | -128.5 | -58.9 | -111.7 | 0.6 | 115.7 | D27 V28 | D27-R343 PolarHBondContact N-O 2.74Å; D27-R343 IonicContact OD1-CZ 3.93Å; D27-R343 IonicContact OD1-NE 3.37Å; D27-R343 IonicContact OD1-NH2 3.49Å; D27-R343 PolarHBondContact OD1-NH2 3.1Å; V28-R343 PolarHBondContact N-O 3.24Å; V28-R343 VanDerWaalsContact O-CA 3.23Å; V28-R343 WeakPolarHBondContact O-CA 3.08Å |
| 344 | R | 96 | Very high | 97.5 | Very high | 59 Ų | 59 | 29.8 Ų | 29.8 | 22% | 0.223 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 150.8 | 178.2 | 69.2 | 170.9 | -160.3 | -134.9 | 10.8 | 112.3 | Y25 E314 H341 E346 | Y25-R344 CarbonylContact O-C 3.59Å; Y25-R344 WeakPolarHBondContact O-CA 3.37Å; E314-R344 VanDerWaalsContact CD-CZ 3.48Å; E314-R344 IonicContact OE1-CZ 3.13Å; E314-R344 IonicContact OE1-NH1 2.68Å; E314-R344 PolarHBondContact OE1-NH1 2.7Å; E314-R344 IonicContact OE1-NH2 3.92Å; E314-R344 PolarHBondContact OE1-NH2 2.85Å; E314-R344 IonicContact OE2-CZ 3.96Å; E314-R344 IonicContact OE2-NH1 3.91Å; E314-R344 PolarHBondContact OE2-NH1 3.5Å; E314-R344 IonicContact OE2-NH2 2.79Å; E314-R344 PolarHBondContact OE2-NH2 2.73Å; H341-R344 HydrophobicContact CB-CG 3.59Å; H341-R344 PolarHBondContact CD2-NE 3.12Å; H341-R344 PolarHBondContact CE1-NH2 2.75Å; H341-R344 PolarHBondContact N-O 2.93Å; H341-R344 PolarHBondContact NE2-NE 3.02Å; H341-R344 PolarHBondContact NE2-NH2 3.37Å; R344-E346 IonicContact NH2-OE1 3.34Å; R344-E346 PolarHBondContact NH2-OE1 3.24Å; R344-E346 IonicContact NH2-OE2 2.79Å; R344-E346 PolarHBondContact NH2-OE2 3.41Å |
| 345 | C | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 120.6 | 163.7 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | Y25 L49 K339 L340 | Y25-C345 HydrophobicContact CD2-CB 3.97Å; Y25-C345 HydrophobicContact CG-CB 4.45Å; Y25-C345 PolarHBondContact N-O 3.42Å; Y25-C345 PolarHBondContact O-N 3.5Å; L49-C345 HydrophobicContact CD2-CB 4.42Å; K339-C345 WeakPolarHBondContact O-CA 3.45Å; L340-C345 HydrophobicContact CD2-CB 3.69Å |
| 346 | E | 98.5 | Very high | 96.5 | Very high | 23 Ų | 23 | 42.4 Ų | 42.4 | 11% | 0.107 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 113 | -174.4 | 177.1 | 178.3 | -128.6 | 0 | 0 | 110.1 | P18 K339 H341 R344 I348 | P18-E346 HydrophobicContact CB-CG 4.42Å; K339-E346 PolarHBondContact N-O 2.96Å; K339-E346 PolarHBondContact O-N 3.13Å; H341-E346 IonicContact CD2-OE2 2.98Å; H341-E346 IonicContact CE1-OE2 2.81Å; H341-E346 PolarHBondContact CE1-OE2 2.71Å; H341-E346 IonicContact NE2-OE2 2.85Å; H341-E346 PolarHBondContact NE2-OE2 3.08Å; R344-E346 IonicContact NH2-OE1 3.34Å; R344-E346 PolarHBondContact NH2-OE1 3.24Å; R344-E346 IonicContact NH2-OE2 2.79Å; R344-E346 PolarHBondContact NH2-OE2 3.41Å; E346-I348 HydrophobicContact CG-CG1 4.45Å |
| 347 | P | 98.7 | Very high | 95.9 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 138.3 | 171.3 | -19.8 | 32.4 | 0 | 0 | 0 | 111.7 | A19 Y25 F337 Y338 | A19-P347 HydrophobicContact CB-CB 3.99Å; A19-P347 HydrophobicContact CB-CG 4.27Å; A19-P347 WeakPolarHBondContact CB-O 3.44Å; A19-P347 PolarHBondContact N-O 3.46Å; Y25-P347 HydrophobicContact CE2-CG 4.31Å; F337-P347 CarbonylContact O-C 3.52Å; F337-P347 VanDerWaalsContact O-CA 3.22Å; F337-P347 WeakPolarHBondContact O-CA 3.34Å; Y338-P347 HydrophobicContact CD1-CG 4.23Å; Y338-P347 HydrophobicContact CE1-CB 4.45Å; Y338-P347 HydrophobicContact CE1-CG 4.01Å |
| 348 | I | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 110.8 | 176.2 | -57.1 | 165.6 | 0 | 0 | 0 | 108.1 | Q17 P18 I292 F310 R336 F337 K339 E346 M350 | Q17-I348 WeakPolarHBondContact O-CA 3.5Å; P18-I348 HydrophobicContact CB-CG1 4.5Å; I292-I348 HydrophobicContact CD1-CD1 4.3Å; F310-I348 HydrophobicContact CD1-CD1 4.31Å; F310-I348 HydrophobicContact CD2-CG2 4.41Å; F310-I348 HydrophobicContact CE1-CD1 3.62Å; F310-I348 HydrophobicContact CE1-CG2 4.42Å; F310-I348 HydrophobicContact CE2-CG2 4.32Å; F310-I348 HydrophobicContact CZ-CD1 4Å; F310-I348 HydrophobicContact CZ-CG2 4.32Å; R336-I348 WeakPolarHBondContact CA-O 3.06Å; F337-I348 HydrophobicContact CB-CB 4.28Å; F337-I348 PolarHBondContact N-O 3.15Å; F337-I348 PolarHBondContact O-N 3.48Å; K339-I348 HydrophobicContact CB-CD1 3.8Å; K339-I348 HydrophobicContact CD-CD1 3.81Å; K339-I348 HydrophobicContact CG-CD1 4.45Å; E346-I348 HydrophobicContact CG-CG1 4.45Å; I348-M350 HydrophobicContact CG2-SD 4.27Å |
| 349 | A | 98.6 | Very high | 95.3 | Very high | 24 Ų | 24 | 57.6 Ų | 57.6 | 20% | 0.198 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 126.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | G16 Q17 E333 | G16-A349 CarbonylContact C-O 3.56Å; G16-A349 WeakPolarHBondContact CA-O 3.16Å; Q17-A349 PolarHBondContact N-O 2.83Å; Q17-A349 PolarHBondContact O-N 3.27Å; E333-A349 HydrophobicContact CG-CB 4.22Å; E333-A349 WeakPolarHBondContact OE1-CA 3.29Å; E333-A349 WeakPolarHBondContact OE1-CB 3.38Å |
| 350 | M | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 112.4 | 172.6 | -55.1 | -55.4 | -65 | 0 | 0 | 108.7 | V14 F15 G16 Y283 Y294 E333 I334 A335 F337 I348 | V14-M350 HydrophobicContact CG1-CB 4.3Å; V14-M350 HydrophobicContact CG1-CE 4.03Å; F15-M350 WeakPolarHBondContact O-CA 3.39Å; G16-M350 VanDerWaalsContact CA-SD 3.54Å; Y283-M350 HydrophobicContact CE1-CB 4.43Å; Y283-M350 HydrophobicContact CE1-CE 4.01Å; Y283-M350 HydrophobicContact CE1-CG 3.97Å; Y294-M350 HydrophobicContact CD1-CE 3.84Å; Y294-M350 HydrophobicContact CE1-CE 3.39Å; E333-M350 WeakPolarHBondContact CA-O 3.23Å; I334-M350 HydrophobicContact CG1-CB 4.38Å; I334-M350 WeakPolarHBondContact CG1-O 3.17Å; I334-M350 PolarHBondContact N-O 2.89Å; A335-M350 HydrophobicContact CB-CB 3.99Å; A335-M350 HydrophobicContact CB-CG 4.04Å; A335-M350 WeakPolarHBondContact O-CB 3.15Å; A335-M350 PolarHBondContact O-N 2.94Å; F337-M350 HydrophobicContact CD2-CG 3.81Å; F337-M350 HydrophobicContact CD2-SD 4.22Å; F337-M350 HydrophobicContact CE2-CG 3.84Å; F337-M350 HydrophobicContact CE2-SD 4.44Å; I348-M350 HydrophobicContact CG2-SD 4.27Å |
| 351 | T | 98.4 | Very high | 94.9 | Very high | 22 Ų | 22 | 65 Ų | 65 | 14% | 0.135 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 134.9 | -167.6 | -56 | 0 | 0 | 0 | 0 | 111.5 | V14 F15 K331 C332 | V14-T351 VanDerWaalsContact CA-O 3.31Å; V14-T351 WeakPolarHBondContact CA-O 3.1Å; F15-T351 HydrophobicContact CE1-CG2 4.12Å; F15-T351 HydrophobicContact CZ-CG2 4.14Å; F15-T351 PolarHBondContact N-O 3.11Å; F15-T351 VanDerWaalsContact N-O 3.16Å; F15-T351 PolarHBondContact O-N 3.28Å; K331-T351 WeakPolarHBondContact O-CG2 3.35Å; C332-T351 WeakPolarHBondContact O-CA 3.25Å |
| 352 | V | 98.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | trans | -87.7 | 117.2 | 165.5 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | F11 V14 C332 I334 R354 L363 | F11-V352 HydrophobicContact CD1-CG2 3.96Å; F11-V352 HydrophobicContact CE1-CG2 4.31Å; V14-V352 HydrophobicContact CG2-CG2 3.71Å; C332-V352 HydrophobicContact CB-CB 4.49Å; C332-V352 WeakPolarHBondContact CB-O 3.18Å; C332-V352 PolarHBondContact O-N 3.08Å; I334-V352 HydrophobicContact CD1-CG2 3.79Å; I334-V352 HydrophobicContact CG1-CG2 4.11Å; I334-V352 HydrophobicContact CG2-CG2 3.64Å; V352-R354 HydrophobicContact CG1-CG 4.16Å; V352-R354 PolarHBondContact O-N 2.63Å; V352-L363 HydrophobicContact CB-CD1 3.9Å; V352-L363 HydrophobicContact CG1-CD1 4.06Å; V352-L363 HydrophobicContact CG1-CD2 4.27Å; V352-L363 HydrophobicContact CG2-CD1 4.19Å; V352-L363 HydrophobicContact CG2-CD2 4.18Å | ||
| 353 | P | 96.4 | Very high | 95.1 | Very high | 72 Ų | 72 | 62.6 Ų | 62.6 | 47% | 0.468 | 31% | 0.305 | S | S | . | . | trans | -72 | 95.7 | -177.9 | 27.5 | -32.7 | 0 | 0 | 0 | 110.9 | H13 F15 | H13-P353 HydrophobicContact CB-CG 3.74Å; H13-P353 WeakPolarHBondContact O-CD 3.35Å; H13-P353 WeakPolarHBondContact O-CG 3.46Å; F15-P353 HydrophobicContact CD1-CG 4.47Å; F15-P353 HydrophobicContact CE1-CB 4.07Å; F15-P353 HydrophobicContact CE1-CG 4.36Å | ||
| 354 | R | 93.7 | Very high | 95.2 | Very high | 103 Ų | 103 | 55.7 Ų | 55.7 | 39% | 0.389 | 28% | 0.279 | S | S | . | . | trans | -113.4 | 149.4 | 169.1 | -64.1 | -68.5 | -171.2 | 125.4 | 9.6 | 109.8 | V352 D362 L363 | V352-R354 HydrophobicContact CG1-CG 4.16Å; V352-R354 PolarHBondContact O-N 2.63Å; R354-D362 IonicContact CZ-OD2 3.26Å; R354-D362 IonicContact NH2-OD2 2.75Å; R354-D362 PolarHBondContact NH2-OD2 2.58Å; R354-L363 HydrophobicContact CG-CD1 4.28Å | ||
| 355 | K | 87.1 | Confident | 95.2 | Very high | 220 Ų | 220 | 54.9 Ų | 54.9 | 96% | 0.957 | 28% | 0.281 | S | S | * | . | trans | -110.3 | 76.3 | 172.3 | -65 | -175 | -178.8 | -178 | 0 | 108.3 | ||||
| 356 | S | 88.5 | Confident | 95.2 | Very high | 44 Ų | 44 | 58.7 Ų | 58.7 | 31% | 0.308 | 31% | 0.306 | S | S | . | . | trans | -153.3 | 137.3 | 178.4 | -170.5 | 0 | 0 | 0 | 0 | 109.8 | L358 Q360 | S356-L358 VanDerWaalsContact C-N 3.28Å; S356-L358 PolarHBondContact OG-N 3.1Å; S356-Q360 VanDerWaalsContact CB-NE2 3.33Å; S356-Q360 PolarHBondContact OG-NE2 2.95Å | ||
| 357 | D | 85.9 | Confident | 95.1 | Very high | 175 Ų | 175 | 57.9 Ų | 57.9 | 94% | 0.936 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -88 | -2.7 | 172 | -55.1 | -45.4 | 0 | 0 | 0 | 111.8 | ||
| 358 | L | 92.4 | Very high | 95 | Very high | 135 Ų | 135 | 58.6 Ų | 58.6 | 71% | 0.707 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -84.1 | 148.1 | 177.7 | -58.4 | 177.6 | 0 | 0 | 0 | 110.7 | S356 Q360 | S356-L358 VanDerWaalsContact C-N 3.28Å; S356-L358 PolarHBondContact OG-N 3.1Å; L358-Q360 PolarHBondContact O-N 3.45Å; L358-Q360 PolarHBondContact O-NE2 2.86Å |
| 359 | F | 93.8 | Very high | 94.8 | Very high | 45 Ų | 45 | 59.1 Ų | 59.1 | 20% | 0.197 | 31% | 0.314 | C | S | . | . | trans | -58.1 | 124.7 | 170.3 | -178.4 | -101.7 | 0 | 0 | 0 | 110.7 | V329 E361 Y364 L392 K393 | V329-F359 HydrophobicContact CG1-CD2 3.55Å; V329-F359 HydrophobicContact CG1-CE2 3.33Å; V329-F359 HydrophobicContact CG1-CZ 4.48Å; F359-E361 HydrophobicContact CD1-CB 4.46Å; F359-E361 HydrophobicContact CD1-CG 3.53Å; F359-E361 HydrophobicContact CE1-CB 4.38Å; F359-E361 HydrophobicContact CE1-CG 3.71Å; F359-E361 PolarHBondContact O-N 2.79Å; F359-Y364 HydrophobicContact CE2-CD2 4.25Å; F359-Y364 HydrophobicContact CE2-CG 4.42Å; F359-Y364 HydrophobicContact CZ-CD2 4.46Å; F359-Y364 HydrophobicContact CZ-CG 4.4Å; F359-L392 HydrophobicContact CE2-CB 4.42Å; F359-K393 HydrophobicContact CB-CG 4.37Å; F359-K393 HydrophobicContact CD1-CB 4.17Å; F359-K393 HydrophobicContact CD1-CD 4.25Å; F359-K393 HydrophobicContact CD1-CG 4.14Å; F359-K393 HydrophobicContact CD2-CB 4.09Å; F359-K393 HydrophobicContact CD2-CG 4.19Å; F359-K393 HydrophobicContact CE1-CB 4.04Å; F359-K393 VanDerWaalsContact CE2-CA 3.46Å; F359-K393 HydrophobicContact CE2-CB 3.94Å; F359-K393 HydrophobicContact CG-CB 4.2Å; F359-K393 HydrophobicContact CG-CD 4.47Å; F359-K393 HydrophobicContact CG-CG 3.98Å; F359-K393 HydrophobicContact CZ-CB 3.93Å | ||
| 360 | Q | 94.6 | Very high | 94.6 | Very high | 22 Ų | 22 | 58.5 Ų | 58.5 | 10% | 0.103 | 31% | 0.309 | C | S | . | . | trans | -89.2 | 84.5 | -177.5 | -57.9 | -61.4 | -75.1 | 0 | 0 | 110.4 | S356 L358 D362 L363 Y364 | S356-Q360 VanDerWaalsContact CB-NE2 3.33Å; S356-Q360 PolarHBondContact OG-NE2 2.95Å; L358-Q360 PolarHBondContact O-N 3.45Å; L358-Q360 PolarHBondContact O-NE2 2.86Å; Q360-D362 PolarHBondContact O-N 3.13Å; Q360-D362 VanDerWaalsContact O-N 3.15Å; Q360-L363 HydrophobicContact CB-CB 4.09Å; Q360-L363 HydrophobicContact CB-CD1 3.89Å; Q360-L363 HydrophobicContact CB-CG 3.92Å; Q360-L363 HydrophobicContact CG-CD1 4.18Å; Q360-L363 PolarHBondContact O-N 3.49Å; Q360-Y364 HydrophobicContact CB-CD2 4.38Å; Q360-Y364 HydrophobicContact CB-CE2 4.46Å; Q360-Y364 WeakPolarHBondContact O-CD2 3.09Å; Q360-Y364 PolarHBondContact O-N 2.79Å; Q360-Y364 VanDerWaalsContact O-N 3.16Å | ||
| 361 | E | 94.5 | Very high | 94.5 | Very high | 135 Ų | 135 | 60.9 Ų | 60.9 | 63% | 0.631 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29.3 | -178.2 | -65.7 | -176 | 173.9 | 0 | 0 | 113.1 | F359 L363 Y364 | F359-E361 HydrophobicContact CD1-CB 4.46Å; F359-E361 HydrophobicContact CD1-CG 3.53Å; F359-E361 HydrophobicContact CE1-CB 4.38Å; F359-E361 HydrophobicContact CE1-CG 3.71Å; F359-E361 PolarHBondContact O-N 2.79Å; E361-L363 VanDerWaalsContact C-N 3.3Å; E361-L363 PolarHBondContact O-N 3.5Å; E361-Y364 CarbonylContact O-C 3.5Å; E361-Y364 PolarHBondContact O-N 3.06Å |
| 362 | D | 94.5 | Very high | 94.4 | Very high | 69 Ų | 69 | 60.9 Ų | 60.9 | 37% | 0.369 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -24 | 177 | 71.9 | -52.5 | 0 | 0 | 0 | 113.3 | K10 R354 Q360 | K10-D362 PolarHBondContact NZ-O 3.1Å; R354-D362 IonicContact CZ-OD2 3.26Å; R354-D362 IonicContact NH2-OD2 2.75Å; R354-D362 PolarHBondContact NH2-OD2 2.58Å; Q360-D362 PolarHBondContact O-N 3.13Å; Q360-D362 VanDerWaalsContact O-N 3.15Å |
| 363 | L | 95.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -25.8 | 176.3 | -60.3 | -174.9 | 0 | 0 | 0 | 112.4 | K10 F11 C332 V352 R354 Q360 E361 P365 | K10-L363 HydrophobicContact CD-CD2 4.29Å; F11-L363 HydrophobicContact CE1-CD2 3.85Å; C332-L363 HydrophobicContact CB-CD1 4.3Å; V352-L363 HydrophobicContact CB-CD1 3.9Å; V352-L363 HydrophobicContact CG1-CD1 4.06Å; V352-L363 HydrophobicContact CG1-CD2 4.27Å; V352-L363 HydrophobicContact CG2-CD1 4.19Å; V352-L363 HydrophobicContact CG2-CD2 4.18Å; R354-L363 HydrophobicContact CG-CD1 4.28Å; Q360-L363 HydrophobicContact CB-CB 4.09Å; Q360-L363 HydrophobicContact CB-CD1 3.89Å; Q360-L363 HydrophobicContact CB-CG 3.92Å; Q360-L363 HydrophobicContact CG-CD1 4.18Å; Q360-L363 PolarHBondContact O-N 3.49Å; E361-L363 VanDerWaalsContact C-N 3.3Å; E361-L363 PolarHBondContact O-N 3.5Å; L363-P365 VanDerWaalsContact C-CD 3.5Å; L363-P365 WeakPolarHBondContact O-CD 3.14Å |
| 364 | Y | 97.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 58.8 Ų | 58.8 | 2% | 0.024 | 31% | 0.31 | C | S | . | . | trans | -127.5 | 69.9 | -172.7 | -56 | -70.2 | 0 | 0 | 0 | 110.9 | V329 C332 E333 I334 F359 Q360 E361 L392 | V329-Y364 HydrophobicContact CB-CD2 4.48Å; V329-Y364 HydrophobicContact CB-CE1 4.44Å; V329-Y364 HydrophobicContact CB-CE2 4.16Å; V329-Y364 HydrophobicContact CG1-CD1 4.34Å; V329-Y364 HydrophobicContact CG1-CD2 3.41Å; V329-Y364 VanDerWaalsContact CG1-CD2 3.41Å; V329-Y364 HydrophobicContact CG1-CE1 4.3Å; V329-Y364 HydrophobicContact CG1-CE2 3.38Å; V329-Y364 HydrophobicContact CG1-CG 3.91Å; V329-Y364 HydrophobicContact CG2-CD1 4.2Å; V329-Y364 HydrophobicContact CG2-CE1 4.05Å; C332-Y364 WeakPolarHBondContact CA-OH 3.31Å; E333-Y364 PolarHBondContact N-OH 3.21Å; E333-Y364 VanDerWaalsContact N-OH 3.08Å; E333-Y364 WeakPolarHBondContact O-CE1 3.4Å; E333-Y364 PolarHBondContact O-OH 3.19Å; I334-Y364 HydrophobicContact CG2-CE1 4.46Å; F359-Y364 HydrophobicContact CE2-CD2 4.25Å; F359-Y364 HydrophobicContact CE2-CG 4.42Å; F359-Y364 HydrophobicContact CZ-CD2 4.46Å; F359-Y364 HydrophobicContact CZ-CG 4.4Å; Q360-Y364 HydrophobicContact CB-CD2 4.38Å; Q360-Y364 HydrophobicContact CB-CE2 4.46Å; Q360-Y364 WeakPolarHBondContact O-CD2 3.09Å; Q360-Y364 PolarHBondContact O-N 2.79Å; Q360-Y364 VanDerWaalsContact O-N 3.16Å; E361-Y364 CarbonylContact O-C 3.5Å; E361-Y364 PolarHBondContact O-N 3.06Å; Y364-L392 HydrophobicContact CD1-CD1 3.97Å | ||
| 365 | P | 97.2 | Very high | 94.6 | Very high | 42 Ų | 42 | 56.6 Ų | 56.6 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | trans | -62 | 165.7 | 168.7 | 31.1 | -36.1 | 0 | 0 | 0 | 110.3 | D278 L363 T367 | D278-P365 HydrophobicContact CB-CG 3.83Å; L363-P365 VanDerWaalsContact C-CD 3.5Å; L363-P365 WeakPolarHBondContact O-CD 3.14Å; P365-T367 PolarHBondContact O-N 3.15Å | ||
| 366 | P | 97.1 | Very high | 95 | Very high | 80 Ų | 80 | 46.5 Ų | 46.5 | 52% | 0.519 | 27% | 0.266 | S | S | . | . | trans | -52.4 | 127.5 | 172.7 | -25.9 | 35 | 0 | 0 | 0 | 111.2 | L389 I390 | P366-L389 HydrophobicContact CB-CB 3.89Å; P366-L389 HydrophobicContact CB-CD1 4.12Å; P366-I390 WeakPolarHBondContact CA-O 3.39Å | ||
| 367 | T | 97.1 | Very high | 95.4 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 166.1 | -172.5 | -164 | 0 | 0 | 0 | 0 | 111.4 | D278 K324 P365 G369 L389 I390 L392 | D278-T367 PolarHBondContact OD1-OG1 2.84Å; D278-T367 WeakPolarHBondContact OD2-CB 3.46Å; D278-T367 PolarHBondContact OD2-OG1 2.95Å; K324-T367 HydrophobicContact CB-CG2 3.91Å; P365-T367 PolarHBondContact O-N 3.15Å; T367-G369 PolarHBondContact O-N 2.78Å; T367-L389 CarbonylContact O-C 3.46Å; T367-L389 WeakPolarHBondContact O-CA 3.21Å; T367-I390 HydrophobicContact CG2-CG1 4.19Å; T367-I390 PolarHBondContact N-O 2.99Å; T367-I390 PolarHBondContact O-N 3.14Å; T367-L392 HydrophobicContact CG2-CD1 4.12Å; T367-L392 HydrophobicContact CG2-CD2 3.79Å; T367-L392 HydrophobicContact CG2-CG 3.87Å |
| 368 | A | 96.3 | Very high | 96 | Very high | 29 Ų | 29 | 46.9 Ų | 46.9 | 24% | 0.24 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 120.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | P387 | A368-P387 HydrophobicContact CB-CB 3.67Å; A368-P387 HydrophobicContact CB-CG 3.89Å |
| 369 | G | 95.3 | Very high | 96.2 | Very high | 10 Ų | 10 | 40.5 Ų | 40.5 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | trans | -84.1 | 178.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T367 L388 | T367-G369 PolarHBondContact O-N 2.78Å; G369-L388 WeakPolarHBondContact CA-O 3.41Å; G369-L388 PolarHBondContact N-O 3.11Å | ||
| 370 | P | 95.3 | Very high | 96.4 | Very high | 12 Ų | 12 | 41.1 Ų | 41.1 | 8% | 0.078 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -85.3 | -11.8 | 179.6 | 35.1 | -35 | 0 | 0 | 0 | 113.6 | H92 P399 | H92-P370 WeakPolarHBondContact CA-O 3.36Å; H92-P370 WeakPolarHBondContact CB-O 3.5Å; H92-P370 PolarHBondContact CD2-O 3.11Å; P370-P399 HydrophobicContact CB-CB 3.87Å; P370-P399 HydrophobicContact CB-CG 3.65Å; P370-P399 HydrophobicContact CG-CB 4.21Å; P370-P399 HydrophobicContact CG-CG 4.15Å |
| 371 | D | 95.5 | Very high | 96.5 | Very high | 50 Ų | 50 | 43.4 Ų | 43.4 | 27% | 0.267 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -80.8 | 128.3 | 177.2 | -82.5 | -29.1 | 0 | 0 | 0 | 109.6 | L388 K400 R402 | D371-L388 HydrophobicContact CB-CD1 3.97Å; D371-K400 IonicContact OD2-NZ 2.79Å; D371-R402 IonicContact OD1-NH2 3.83Å; D371-R402 PolarHBondContact OD1-NH2 3.23Å |
| 372 | P | 96.4 | Very high | 96.6 | Very high | 22 Ų | 22 | 39 Ų | 39 | 14% | 0.143 | 25% | 0.249 | C | C | . | . | trans | -68.7 | 144.5 | 176.7 | 28.9 | -33.2 | 0 | 0 | 0 | 110.3 | T142 Q144 L388 | T142-P372 CarbonylContact O-C 3.5Å; T142-P372 WeakPolarHBondContact O-CA 3.49Å; T142-P372 VanDerWaalsContact O-CB 3.28Å; T142-P372 WeakPolarHBondContact O-CB 3.41Å; Q144-P372 HydrophobicContact CB-CB 3.86Å; Q144-P372 HydrophobicContact CB-CG 3.77Å; Q144-P372 HydrophobicContact CG-CG 4.08Å; P372-L388 WeakPolarHBondContact O-CD1 3.27Å | ||
| 373 | A | 97.4 | Very high | 96.7 | Very high | 24 Ų | 24 | 41.9 Ų | 41.9 | 20% | 0.198 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -81.1 | -26.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T142 A385 G386 L388 | T142-A373 PolarHBondContact O-N 2.95Å; A373-A385 HydrophobicContact CB-CB 3.92Å; A373-G386 VanDerWaalsContact CB-O 3.25Å; A373-G386 WeakPolarHBondContact CB-O 3.33Å; A373-L388 HydrophobicContact CB-CD2 4.14Å; A373-L388 HydrophobicContact CB-CG 4.03Å |
| 374 | L | 97.9 | Very high | 96.8 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -134.2 | 152.9 | -177.2 | -62.4 | 173 | 0 | 0 | 0 | 110.5 | T142 A143 Q144 E378 W379 R383 A385 | T142-L374 PolarHBondContact O-N 2.92Å; A143-L374 CarbonylContact C-O 3.59Å; A143-L374 WeakPolarHBondContact CA-O 3.31Å; A143-L374 HydrophobicContact CB-CB 4.45Å; Q144-L374 PolarHBondContact N-O 3.33Å; L374-E378 HydrophobicContact CB-CB 4.42Å; L374-E378 HydrophobicContact CD2-CB 4.23Å; L374-W379 HydrophobicContact CB-CB 4.49Å; L374-W379 HydrophobicContact CD1-CB 4.17Å; L374-R383 HydrophobicContact CD1-CB 4.3Å; L374-R383 VanDerWaalsContact CD1-O 3.3Å; L374-R383 WeakPolarHBondContact CD1-O 3.48Å; L374-R383 HydrophobicContact CD2-CB 4.22Å; L374-A385 HydrophobicContact CD1-CB 3.91Å; L374-A385 HydrophobicContact CD2-CB 4.01Å; L374-A385 HydrophobicContact CG-CB 3.81Å |
| 375 | T | 97 | Very high | 96.8 | Very high | 57 Ų | 57 | 46.9 Ų | 46.9 | 35% | 0.35 | 29% | 0.286 | S | S | . | . | trans | -74.9 | 162.5 | 159.5 | 61.1 | 0 | 0 | 0 | 0 | 110.6 | E377 E378 W379 | T375-E377 VanDerWaalsContact C-N 3.31Å; T375-E377 PolarHBondContact O-N 2.77Å; T375-E378 PolarHBondContact N-OE2 2.93Å; T375-E378 PolarHBondContact O-N 2.99Å; T375-E378 WeakPolarHBondContact OG1-CB 3.13Å; T375-E378 VanDerWaalsContact OG1-CD 3.25Å; T375-E378 WeakPolarHBondContact OG1-CG 3.4Å; T375-E378 PolarHBondContact OG1-N 2.86Å; T375-E378 PolarHBondContact OG1-OE2 2.85Å; T375-W379 PolarHBondContact O-N 2.83Å | ||
| 376 | A | 95.9 | Very high | 96.8 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.4 | -44.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V146 W379 L380 | V146-A376 HydrophobicContact CG2-CB 3.78Å; A376-W379 PolarHBondContact O-N 3.42Å; A376-L380 WeakPolarHBondContact O-CB 3.46Å; A376-L380 VanDerWaalsContact O-CG 3.26Å; A376-L380 WeakPolarHBondContact O-CG 3.42Å; A376-L380 PolarHBondContact O-N 2.81Å |
| 377 | E | 96.4 | Very high | 96.8 | Very high | 162 Ų | 162 | 44 Ų | 44 | 76% | 0.757 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.1 | -42.6 | -179.9 | -65.2 | -178.2 | 174.3 | 0 | 0 | 112.6 | T375 L380 G381 | T375-E377 VanDerWaalsContact C-N 3.31Å; T375-E377 PolarHBondContact O-N 2.77Å; E377-L380 PolarHBondContact O-N 2.92Å; E377-G381 PolarHBondContact O-N 3.38Å |
| 378 | E | 97.9 | Very high | 96.8 | Very high | 65 Ų | 65 | 47.8 Ų | 47.8 | 30% | 0.304 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 177.4 | -74.6 | 167.2 | 138.4 | 0 | 0 | 111.9 | L374 T375 G381 G382 R383 | L374-E378 HydrophobicContact CB-CB 4.42Å; L374-E378 HydrophobicContact CD2-CB 4.23Å; T375-E378 PolarHBondContact N-OE2 2.93Å; T375-E378 PolarHBondContact O-N 2.99Å; T375-E378 WeakPolarHBondContact OG1-CB 3.13Å; T375-E378 VanDerWaalsContact OG1-CD 3.25Å; T375-E378 WeakPolarHBondContact OG1-CG 3.4Å; T375-E378 PolarHBondContact OG1-N 2.86Å; T375-E378 PolarHBondContact OG1-OE2 2.85Å; E378-G381 PolarHBondContact O-N 2.98Å; E378-G382 PolarHBondContact O-N 3.13Å; E378-R383 WeakPolarHBondContact O-CB 3.36Å; E378-R383 PolarHBondContact O-N 3.06Å; E378-R383 VanDerWaalsContact O-N 3.09Å; E378-R383 IonicContact OE1-CZ 3.6Å; E378-R383 IonicContact OE1-NH1 2.65Å; E378-R383 PolarHBondContact OE1-NH1 3.4Å; E378-R383 IonicContact OE1-NH2 3.1Å |
| 379 | W | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.3 | -45.2 | 178 | 174.7 | 78 | 0 | 0 | 0 | 111.8 | H140 A143 V146 V158 L168 W184 G188 P205 R206 L374 T375 A376 G381 G382 | H140-W379 AromaticContact CD2-CE2 3.77Å; H140-W379 AromaticContact CD2-CZ2 3.9Å; H140-W379 AromaticContact CD2-NE1 3.98Å; H140-W379 AromaticContact CE1-CD1 3.96Å; H140-W379 AromaticContact CE1-NE1 3.88Å; H140-W379 AromaticContact NE2-CD1 3.51Å; H140-W379 AromaticContact NE2-CD2 3.83Å; H140-W379 AromaticContact NE2-CE2 3.29Å; H140-W379 VanDerWaalsContact NE2-CE2 3.29Å; H140-W379 AromaticContact NE2-CG 3.96Å; H140-W379 AromaticContact NE2-CZ2 3.79Å; H140-W379 AromaticContact NE2-NE1 3.04Å; H140-W379 PolarHBondContact NE2-NE1 2.91Å; A143-W379 HydrophobicContact CB-CB 3.74Å; A143-W379 HydrophobicContact CB-CD2 4.47Å; A143-W379 HydrophobicContact CB-CG 3.95Å; V146-W379 HydrophobicContact CG1-CE3 4.22Å; V146-W379 HydrophobicContact CG1-CH2 4.38Å; V146-W379 HydrophobicContact CG1-CZ3 3.91Å; V146-W379 HydrophobicContact CG2-CE3 4.15Å; V158-W379 HydrophobicContact CG1-CH2 4.13Å; V158-W379 HydrophobicContact CG1-CZ3 4.05Å; L168-W379 HydrophobicContact CD1-CH2 3.68Å; L168-W379 HydrophobicContact CD1-CZ3 3.95Å; W184-W379 AromaticContact CH2-CH2 3.85Å; W184-W379 HydrophobicContact CH2-CH2 3.85Å; W184-W379 AromaticContact CH2-CZ2 3.68Å; W184-W379 HydrophobicContact CH2-CZ2 3.68Å; W184-W379 HydrophobicContact CZ3-CH2 4.46Å; W184-W379 AromaticContact CZ3-CZ2 3.84Å; W184-W379 HydrophobicContact CZ3-CZ2 3.84Å; G188-W379 PolarHBondContact O-NE1 3.4Å; G188-W379 VanDerWaalsContact O-NE1 3.12Å; P205-W379 HydrophobicContact CG-CH2 4.3Å; P205-W379 HydrophobicContact CG-CZ2 4.01Å; R206-W379 WeakPolarHBondContact CD-O 3.35Å; R206-W379 HydrophobicContact CG-CH2 3.97Å; R206-W379 HydrophobicContact CG-CZ2 3.95Å; R206-W379 HydrophobicContact CG-CZ3 4.35Å; R206-W379 PolarHBondContact NH1-O 2.92Å; R206-W379 VanDerWaalsContact NH1-O 3.09Å; L374-W379 HydrophobicContact CB-CB 4.49Å; L374-W379 HydrophobicContact CD1-CB 4.17Å; T375-W379 PolarHBondContact O-N 2.83Å; A376-W379 PolarHBondContact O-N 3.42Å; W379-G381 PolarHBondContact O-N 2.96Å; W379-G382 WeakPolarHBondContact O-CA 3.44Å; W379-G382 PolarHBondContact O-N 3.01Å |
| 380 | L | 97 | Very high | 96.8 | Very high | 59 Ų | 59 | 53.3 Ų | 53.3 | 31% | 0.309 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.8 | -34.8 | 174.1 | -73.3 | 169.4 | 0 | 0 | 0 | 111.8 | V167 L168 A376 E377 G382 | V167-L380 HydrophobicContact CB-CD1 3.93Å; V167-L380 HydrophobicContact CB-CD2 4.01Å; V167-L380 HydrophobicContact CG1-CD1 3.96Å; V167-L380 HydrophobicContact CG2-CD1 4.18Å; V167-L380 HydrophobicContact CG2-CD2 3.88Å; L168-L380 HydrophobicContact CD1-CD2 4.23Å; L168-L380 HydrophobicContact CD2-CD2 4.39Å; L168-L380 HydrophobicContact CG-CD2 4.14Å; A376-L380 WeakPolarHBondContact O-CB 3.46Å; A376-L380 VanDerWaalsContact O-CG 3.26Å; A376-L380 WeakPolarHBondContact O-CG 3.42Å; A376-L380 PolarHBondContact O-N 2.81Å; E377-L380 PolarHBondContact O-N 2.92Å; L380-G382 PolarHBondContact O-N 3.35Å; L380-G382 VanDerWaalsContact O-N 3.14Å |
| 381 | G | 97.1 | Very high | 96.9 | Very high | 69 Ų | 69 | 55.4 Ų | 55.4 | 71% | 0.711 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -0.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E377 E378 W379 | E377-G381 PolarHBondContact O-N 3.38Å; E378-G381 PolarHBondContact O-N 2.98Å; W379-G381 PolarHBondContact O-N 2.96Å |
| 382 | G | 96.2 | Very high | 96.9 | Very high | 44 Ų | 44 | 53.3 Ų | 53.3 | 45% | 0.454 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | 12.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | E378 W379 L380 | E378-G382 PolarHBondContact O-N 3.13Å; W379-G382 WeakPolarHBondContact O-CA 3.44Å; W379-G382 PolarHBondContact O-N 3.01Å; L380-G382 PolarHBondContact O-N 3.35Å; L380-G382 VanDerWaalsContact O-N 3.14Å |
| 383 | R | 97.6 | Very high | 96.7 | Very high | 128 Ų | 128 | 58 Ų | 58 | 48% | 0.483 | 34% | 0.339 | S | S | . | . | trans | -79.8 | 138.5 | 171.8 | -69.8 | 178 | 55.7 | -165 | -11.5 | 110.6 | R206 L374 E378 | R206-R383 PolarHBondContact NH1-O 2.9Å; L374-R383 HydrophobicContact CD1-CB 4.3Å; L374-R383 VanDerWaalsContact CD1-O 3.3Å; L374-R383 WeakPolarHBondContact CD1-O 3.48Å; L374-R383 HydrophobicContact CD2-CB 4.22Å; E378-R383 WeakPolarHBondContact O-CB 3.36Å; E378-R383 PolarHBondContact O-N 3.06Å; E378-R383 VanDerWaalsContact O-N 3.09Å; E378-R383 IonicContact OE1-CZ 3.6Å; E378-R383 IonicContact OE1-NH1 2.65Å; E378-R383 PolarHBondContact OE1-NH1 3.4Å; E378-R383 IonicContact OE1-NH2 3.1Å | ||
| 384 | D | 96.5 | Very high | 95.9 | Very high | 84 Ų | 84 | 63.4 Ų | 63.4 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | trans | -116 | 138.8 | 171.5 | -64.6 | -38.7 | 0 | 0 | 0 | 109.5 | R206 | R206-D384 IonicContact CZ-OD1 2.74Å; R206-D384 IonicContact NH1-OD1 3.92Å; R206-D384 PolarHBondContact NH1-OD1 2.66Å; R206-D384 IonicContact NH2-OD1 2.94Å; R206-D384 PolarHBondContact NH2-OD1 2.71Å; R206-D384 IonicContact NH2-OD2 2.66Å; R206-D384 PolarHBondContact NH2-OD2 2.87Å | ||
| 385 | A | 97.4 | Very high | 95.2 | Very high | 28 Ų | 28 | 65.1 Ų | 65.1 | 23% | 0.231 | 38% | 0.383 | C | S | . | . | trans | -150.7 | 137.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | T142 A373 L374 | T142-A385 WeakPolarHBondContact CB-O 3.22Å; T142-A385 VanDerWaalsContact CG2-O 3.32Å; T142-A385 WeakPolarHBondContact CG2-O 3.31Å; T142-A385 PolarHBondContact OG1-O 3.1Å; A373-A385 HydrophobicContact CB-CB 3.92Å; L374-A385 HydrophobicContact CD1-CB 3.91Å; L374-A385 HydrophobicContact CD2-CB 4.01Å; L374-A385 HydrophobicContact CG-CB 3.81Å | ||
| 386 | G | 96.8 | Very high | 94.5 | Very high | 42 Ų | 42 | 66.4 Ų | 66.4 | 43% | 0.433 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 165 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A373 | A373-G386 VanDerWaalsContact CB-O 3.25Å; A373-G386 WeakPolarHBondContact CB-O 3.33Å |
| 387 | P | 97.4 | Very high | 93.7 | Very high | 20 Ų | 20 | 70 Ų | 70 | 13% | 0.13 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 145.7 | -179.6 | 26.5 | -33.4 | 0 | 0 | 0 | 111.3 | T142 A368 L389 | T142-P387 HydrophobicContact CG2-CB 4.05Å; A368-P387 HydrophobicContact CB-CB 3.67Å; A368-P387 HydrophobicContact CB-CG 3.89Å; P387-L389 HydrophobicContact CG-CD2 4.18Å; P387-L389 PolarHBondContact O-N 2.78Å |
| 388 | L | 96.8 | Very high | 92.8 | Very high | 85 Ų | 85 | 65.9 Ų | 65.9 | 45% | 0.445 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 120.8 | 171.6 | -60 | -177.7 | 0 | 0 | 0 | 109 | G369 D371 P372 A373 | G369-L388 WeakPolarHBondContact CA-O 3.41Å; G369-L388 PolarHBondContact N-O 3.11Å; D371-L388 HydrophobicContact CB-CD1 3.97Å; P372-L388 WeakPolarHBondContact O-CD1 3.27Å; A373-L388 HydrophobicContact CB-CD2 4.14Å; A373-L388 HydrophobicContact CB-CG 4.03Å |
| 389 | L | 96.8 | Very high | 91.9 | Very high | 102 Ų | 102 | 63.6 Ų | 63.6 | 53% | 0.534 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 143.6 | -172.5 | -54.9 | -178.7 | 0 | 0 | 0 | 111.9 | P366 T367 P387 | P366-L389 HydrophobicContact CB-CB 3.89Å; P366-L389 HydrophobicContact CB-CD1 4.12Å; T367-L389 CarbonylContact O-C 3.46Å; T367-L389 WeakPolarHBondContact O-CA 3.21Å; P387-L389 HydrophobicContact CG-CD2 4.18Å; P387-L389 PolarHBondContact O-N 2.78Å |
| 390 | I | 95.9 | Very high | 90.9 | Very high | 52 Ų | 52 | 70.3 Ų | 70.3 | 27% | 0.267 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 154.5 | 173.8 | 61.8 | 169.3 | 0 | 0 | 0 | 110.5 | R325 P366 T367 | R325-I390 HydrophobicContact CG-CD1 3.88Å; P366-I390 WeakPolarHBondContact CA-O 3.39Å; T367-I390 HydrophobicContact CG2-CG1 4.19Å; T367-I390 PolarHBondContact N-O 2.99Å; T367-I390 PolarHBondContact O-N 3.14Å |
| 391 | S | 96.6 | Very high | 89.3 | Confident | 56 Ų | 56 | 73.3 Ų | 73.3 | 39% | 0.392 | 44% | 0.436 | S | S | . | . | trans | -86.1 | 139.7 | 168.8 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | K393 | S391-K393 VanDerWaalsContact C-N 3.28Å; S391-K393 WeakPolarHBondContact OG-CB 3.44Å; S391-K393 PolarHBondContact OG-N 2.69Å | ||
| 392 | L | 95.7 | Very high | 87.9 | Confident | 6 Ų | 6 | 75 Ų | 75 | 3% | 0.031 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -85.5 | -0.6 | 173.5 | -61.9 | 176.5 | 0 | 0 | 0 | 113.1 | K324 R325 V329 F359 Y364 T367 D394 G395 | K324-L392 HydrophobicContact CB-CD1 4.15Å; R325-L392 HydrophobicContact CG-CD2 4.43Å; V329-L392 HydrophobicContact CG2-CB 4.02Å; V329-L392 HydrophobicContact CG2-CD1 4.31Å; F359-L392 HydrophobicContact CE2-CB 4.42Å; Y364-L392 HydrophobicContact CD1-CD1 3.97Å; T367-L392 HydrophobicContact CG2-CD1 4.12Å; T367-L392 HydrophobicContact CG2-CD2 3.79Å; T367-L392 HydrophobicContact CG2-CG 3.87Å; L392-D394 VanDerWaalsContact C-N 3.3Å; L392-D394 PolarHBondContact O-N 2.82Å; L392-G395 PolarHBondContact O-N 3.16Å |
| 393 | K | 92.2 | Very high | 86.8 | Confident | 122 Ų | 122 | 78.7 Ų | 78.7 | 53% | 0.53 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -36.1 | -178.1 | -173.9 | 175.4 | -179.1 | 174 | 0 | 112.8 | F359 S391 G395 | F359-K393 HydrophobicContact CB-CG 4.37Å; F359-K393 HydrophobicContact CD1-CB 4.17Å; F359-K393 HydrophobicContact CD1-CD 4.25Å; F359-K393 HydrophobicContact CD1-CG 4.14Å; F359-K393 HydrophobicContact CD2-CB 4.09Å; F359-K393 HydrophobicContact CD2-CG 4.19Å; F359-K393 HydrophobicContact CE1-CB 4.04Å; F359-K393 VanDerWaalsContact CE2-CA 3.46Å; F359-K393 HydrophobicContact CE2-CB 3.94Å; F359-K393 HydrophobicContact CG-CB 4.2Å; F359-K393 HydrophobicContact CG-CD 4.47Å; F359-K393 HydrophobicContact CG-CG 3.98Å; F359-K393 HydrophobicContact CZ-CB 3.93Å; S391-K393 VanDerWaalsContact C-N 3.28Å; S391-K393 WeakPolarHBondContact OG-CB 3.44Å; S391-K393 PolarHBondContact OG-N 2.69Å; K393-G395 PolarHBondContact O-N 3Å |
| 394 | D | 80.9 | Confident | 86 | Confident | 136 Ų | 136 | 73.5 Ų | 73.5 | 73% | 0.727 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 3.3 | -178.1 | -57.9 | -32 | 0 | 0 | 0 | 112.5 | L392 | L392-D394 VanDerWaalsContact C-N 3.3Å; L392-D394 PolarHBondContact O-N 2.82Å |
| 395 | G | 82.2 | Confident | 85.3 | Confident | 41 Ų | 41 | 77.9 Ų | 77.9 | 42% | 0.423 | 42% | 0.418 | S | S | . | . | trans | 78.2 | -157.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | L392 K393 V397 | L392-G395 PolarHBondContact O-N 3.16Å; K393-G395 PolarHBondContact O-N 3Å; G395-V397 PolarHBondContact O-N 2.72Å | ||
| 396 | Y | 84 | Confident | 84.6 | Confident | 84 Ų | 84 | 78.2 Ų | 78.2 | 33% | 0.329 | 42% | 0.417 | S | S | . | . | trans | -75.5 | 114.8 | -179.3 | 175.4 | -101.5 | 0 | 0 | 0 | 111 | P44 D94 R325 P398 P399 | P44-Y396 HydrophobicContact CB-CD2 3.59Å; P44-Y396 HydrophobicContact CB-CE2 3.2Å; P44-Y396 HydrophobicContact CG-CD2 4.12Å; P44-Y396 HydrophobicContact CG-CE2 3.7Å; D94-Y396 WeakPolarHBondContact OD2-CE2 3.38Å; D94-Y396 PolarHBondContact OD2-OH 3.43Å; R325-Y396 HydrophobicContact CB-CD2 4.12Å; R325-Y396 HydrophobicContact CB-CE2 4.45Å; Y396-P398 HydrophobicContact CE1-CB 3.85Å; Y396-P399 WeakPolarHBondContact OH-CD 3.09Å | ||
| 397 | V | 78.9 | Confident | 83.8 | Confident | 84 Ų | 84 | 82 Ų | 82 | 51% | 0.509 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -98.7 | 117.4 | 167.8 | -177.3 | 0 | 0 | 0 | 0 | 108 | G395 | G395-V397 PolarHBondContact O-N 2.72Š|
| 398 | P | 75.8 | Confident | 82.1 | Confident | 76 Ų | 76 | 88.6 Ų | 88.6 | 49% | 0.494 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 144.5 | 178.2 | 25.7 | -32.5 | 0 | 0 | 0 | 110.3 | Y396 | Y396-P398 HydrophobicContact CE1-CB 3.85Š|
| 399 | P | 79.6 | Confident | 79.8 | Confident | 17 Ų | 17 | 87 Ų | 87 | 11% | 0.11 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 146.9 | 167.9 | -19.9 | 29.2 | 0 | 0 | 0 | 110.2 | D94 P370 Y396 S401 | D94-P399 HydrophobicContact CB-CG 4.32Å; D94-P399 WeakPolarHBondContact OD2-CD 3.19Å; P370-P399 HydrophobicContact CB-CB 3.87Å; P370-P399 HydrophobicContact CB-CG 3.65Å; P370-P399 HydrophobicContact CG-CB 4.21Å; P370-P399 HydrophobicContact CG-CG 4.15Å; Y396-P399 WeakPolarHBondContact OH-CD 3.09Å; P399-S401 PolarHBondContact O-N 3.32Å; P399-S401 VanDerWaalsContact O-N 3.1Å |
| 400 | K | 76.8 | Confident | 77.1 | Confident | 141 Ų | 141 | 91 Ų | 91 | 61% | 0.613 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 122.6 | 169.6 | -69.9 | 173 | -177.9 | 161.5 | 0 | 107.5 | D371 R402 | D371-K400 IonicContact OD2-NZ 2.79Å; K400-R402 WeakPolarHBondContact O-CG 3.33Å; K400-R402 PolarHBondContact O-N 3.29Å |
| 401 | S | 63.6 | Low | 74.4 | Confident | 122 Ų | 122 | 96.1 Ų | 96.1 | 85% | 0.853 | 50% | 0.503 | S | S | * | . | trans | -56.3 | 110.4 | 178.6 | 179.1 | 0 | 0 | 0 | 0 | 108.6 | P399 | P399-S401 PolarHBondContact O-N 3.32Å; P399-S401 VanDerWaalsContact O-N 3.1Å | ||
| 402 | R | 69.3 | Low | 71.7 | Confident | 106 Ų | 106 | 99.6 Ų | 99.6 | 40% | 0.4 | 52% | 0.522 | S | S | . | . | trans | -127.6 | 103.7 | 176 | -68.1 | -179.7 | -163.7 | -161.7 | 10.1 | 105.7 | N93 D371 K400 L404 | N93-R402 PolarHBondContact ND2-O 3.25Å; D371-R402 IonicContact OD1-NH2 3.83Å; D371-R402 PolarHBondContact OD1-NH2 3.23Å; K400-R402 WeakPolarHBondContact O-CG 3.33Å; K400-R402 PolarHBondContact O-N 3.29Å; R402-L404 PolarHBondContact O-N 3.29Å | ||
| 403 | E | 73.1 | Confident | 69 | Low | 121 Ų | 121 | 102.4 Ų | 102.4 | 57% | 0.565 | 55% | 0.552 | S | S | * | * | trans | -53.8 | 133 | 167.9 | -69.2 | 175.9 | 162.3 | 0 | 0 | 108.6 | R405 | E403-R405 HydrophobicContact CB-CG 4.47Å; E403-R405 PolarHBondContact O-N 2.65Å; E403-R405 IonicContact OE2-CZ 3.29Å; E403-R405 IonicContact OE2-NE 3.42Å; E403-R405 IonicContact OE2-NH2 2.76Å; E403-R405 PolarHBondContact OE2-NH2 3.28Å | ||
| 404 | L | 80.8 | Confident | 66.3 | Low | 18 Ų | 18 | 108.6 Ų | 108.6 | 9% | 0.094 | 57% | 0.572 | C | S | . | * | trans | -73.5 | 95.6 | 174.3 | -178.8 | 66.2 | 0 | 0 | 0 | 108.5 | V96 V108 V124 V161 R402 | V96-L404 HydrophobicContact CG1-CD2 4.12Å; V96-L404 HydrophobicContact CG2-CB 4.21Å; V96-L404 HydrophobicContact CG2-CD2 4.44Å; V108-L404 HydrophobicContact CG1-CD2 3.67Å; V124-L404 HydrophobicContact CB-CD2 4.42Å; V124-L404 HydrophobicContact CG1-CD2 4.13Å; V124-L404 HydrophobicContact CG1-CG 4.3Å; V161-L404 HydrophobicContact CG2-CD1 3.96Å; V161-L404 HydrophobicContact CG2-CD2 4.31Å; R402-L404 PolarHBondContact O-N 3.29Å | ||
| 405 | R | 80.3 | Confident | 64 | Low | 177 Ų | 177 | 113.6 Ų | 113.6 | 67% | 0.668 | 58% | 0.581 | S | S | * | * | trans | -86.4 | 123 | 176.1 | -65.6 | -174.3 | 179.8 | -174.7 | -0.8 | 110.4 | E403 | E403-R405 HydrophobicContact CB-CG 4.47Å; E403-R405 PolarHBondContact O-N 2.65Å; E403-R405 IonicContact OE2-CZ 3.29Å; E403-R405 IonicContact OE2-NE 3.42Å; E403-R405 IonicContact OE2-NH2 2.76Å; E403-R405 PolarHBondContact OE2-NH2 3.28Å | ||
| 406 | V | 82.8 | Confident | 61.8 | Low | 35 Ų | 35 | 124.1 Ų | 124.1 | 21% | 0.212 | 61% | 0.608 | C | S | . | * | trans | -101.2 | 107.6 | 176.4 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | V124 V125 V161 G162 R408 | V124-V406 HydrophobicContact CG1-CG2 3.6Å; V125-V406 HydrophobicContact CB-CG1 4.4Å; V125-V406 HydrophobicContact CB-CG2 4.19Å; V125-V406 HydrophobicContact CG1-CG2 4.4Å; V125-V406 HydrophobicContact CG2-CG1 4.45Å; V161-V406 WeakPolarHBondContact O-CG2 3.33Å; G162-V406 CarbonylContact O-C 3.59Å; G162-V406 VanDerWaalsContact O-CA 3.27Å; G162-V406 WeakPolarHBondContact O-CA 3.33Å; V406-R408 HydrophobicContact CG1-CG 4.07Å; V406-R408 PolarHBondContact O-N 3.34Å | ||
| 407 | N | 80.6 | Confident | 59.3 | Low | 121 Ų | 121 | 124.5 Ų | 124.5 | 65% | 0.647 | 63% | 0.628 | S | S | * | * | trans | -94 | 89.9 | 174.6 | -68.1 | -21.3 | 0 | 0 | 0 | 108.3 | G162 G409 | G162-N407 PolarHBondContact O-N 2.93Å; N407-G409 PolarHBondContact O-N 2.91Å | ||
| 408 | R | 61.2 | Low | 57.1 | Low | 158 Ų | 158 | 124.7 Ų | 124.7 | 60% | 0.596 | 64% | 0.639 | S | S | * | * | trans | -69.5 | 101 | 169.2 | -63 | -171.9 | -172.9 | -174.8 | 3.3 | 108 | V406 | V406-R408 HydrophobicContact CG1-CG 4.07Å; V406-R408 PolarHBondContact O-N 3.34Å | ||
| 409 | G | 49.4 | Very low | 55.3 | Low | 53 Ų | 53 | 127.1 Ų | 127.1 | 55% | 0.546 | 66% | 0.655 | S | S | . | * | trans | -55.2 | 149.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | N407 D411 | N407-G409 PolarHBondContact O-N 2.91Å; G409-D411 PolarHBondContact O-N 2.89Å | ||
| 410 | L | 39.1 | Very low | 52.9 | Low | 185 Ų | 185 | 135.4 Ų | 135.4 | 97% | 0.969 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | 18.6 | -177 | -82 | 157.3 | 0 | 0 | 0 | 115.6 | ||
| 411 | D | 39.6 | Very low | 50.9 | Low | 160 Ų | 160 | 133.5 Ų | 133.5 | 86% | 0.856 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | 3.8 | -169.4 | -112.9 | -10.4 | 0 | 0 | 0 | 115.2 | G409 G413 | G409-D411 PolarHBondContact O-N 2.89Å; D411-G413 PolarHBondContact O-N 2.69Å |
| 412 | T | 40.1 | Very low | 49.9 | Very low | 128 Ų | 128 | 134 Ų | 134 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | trans | -80 | 72.5 | 167.9 | 57.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 413 | G | 38.4 | Very low | 48.5 | Very low | 65 Ų | 65 | 132.3 Ų | 132.3 | 67% | 0.67 | 72% | 0.721 | S | S | * | * | trans | -146 | 42.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D411 | D411-G413 PolarHBondContact O-N 2.69Š| ||
| 414 | R | 35.2 | Very low | 47.4 | Very low | 252 Ų | 252 | 133 Ų | 133 | 95% | 0.951 | 73% | 0.734 | S | S | * | * | trans | -124.9 | 64.8 | 164.3 | -85 | -174.7 | 174.3 | -179.6 | 0.1 | 111.8 | ||||
| 415 | R | 34.6 | Very low | 45.9 | Very low | 242 Ų | 242 | 137.4 Ų | 137.4 | 91% | 0.913 | 76% | 0.764 | S | S | * | * | trans | -66 | 126.7 | 146.8 | -82.8 | -178.4 | 172.9 | -179.6 | -1.7 | 107.1 | A417 | R415-A417 PolarHBondContact O-N 3.46Š| ||
| 416 | R | 35.3 | Very low | 45 | Very low | 261 Ų | 261 | 132.6 Ų | 132.6 | 99% | 0.985 | 76% | 0.757 | S | S | * | * | trans | -59 | 98.5 | 166.6 | -90.1 | 178.5 | 167.3 | 174.3 | -3.1 | 108.3 | ||||
| 417 | A | 30.6 | Very low | 44 | Very low | 92 Ų | 92 | 135.7 Ų | 135.7 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -96 | 135.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | R415 | R415-A417 PolarHBondContact O-N 3.46Š| ||
| 418 | A | 32.5 | Very low | 43.1 | Very low | 89 Ų | 89 | 135 Ų | 135 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -57.5 | 157.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | E420 | A418-E420 PolarHBondContact O-N 3.26Š| ||
| 419 | P | 37.8 | Very low | 43.4 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -81.9 | 114.8 | -161 | 31.7 | -30.1 | 0 | 0 | 0 | 110.9 | ||||
| 420 | E | 31.2 | Very low | 44.5 | Very low | 192 Ų | 192 | 130.5 Ų | 130.5 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | trans | -138.9 | 120 | 161.5 | -74.3 | -164.3 | 161.5 | 0 | 0 | 113.2 | A418 | A418-E420 PolarHBondContact O-N 3.26Š| ||
| 421 | A | 34.8 | Very low | 46.2 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 83% | 0.826 | 73% | 0.732 | S | S | * | * | trans | 33.8 | 112 | 154.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | G423 | A421-G423 PolarHBondContact O-N 2.75Š| ||
| 422 | S | 41.8 | Very low | 48.1 | Very low | 133 Ų | 133 | 124.7 Ų | 124.7 | 93% | 0.93 | 72% | 0.722 | S | S | * | * | trans | -59.6 | 120.5 | 155 | 53.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 423 | G | 39.8 | Very low | 49.8 | Very low | 70 Ų | 70 | 123.9 Ų | 123.9 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | trans | -152.3 | 122.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A421 | A421-G423 PolarHBondContact O-N 2.75Š| ||
| 424 | T | 50.3 | Low | 52 | Low | 137 Ų | 137 | 125.6 Ų | 125.6 | 84% | 0.84 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -54 | 142.1 | 166.2 | 32.6 | 0 | 0 | 0 | 0 | 110.8 | S426 | T424-S426 PolarHBondContact O-N 2.95Š|
| 425 | P | 48 | Very low | 54.4 | Low | 109 Ų | 109 | 119.1 Ų | 119.1 | 71% | 0.708 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 131.6 | -176.1 | 13.5 | -12.7 | 0 | 0 | 0 | 110.6 | ||
| 426 | S | 61.5 | Low | 56.8 | Low | 76 Ų | 76 | 113.3 Ų | 113.3 | 53% | 0.531 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -70.2 | 147.3 | 179.4 | 73.7 | 0 | 0 | 0 | 0 | 110.9 | T424 D428 A429 | T424-S426 PolarHBondContact O-N 2.95Å; S426-D428 PolarHBondContact O-N 2.9Å; S426-A429 PolarHBondContact O-N 3.16Å |
| 427 | S | 61.3 | Low | 59.1 | Low | 101 Ų | 101 | 106.3 Ų | 106.3 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -50.5 | -23.8 | 178.1 | -177.1 | 0 | 0 | 0 | 0 | 114.1 | S431 | S427-S431 PolarHBondContact O-N 3.08Å; S427-S431 PolarHBondContact O-OG 2.95Å |
| 428 | D | 61.8 | Low | 61.9 | Low | 106 Ų | 106 | 109.9 Ų | 109.9 | 57% | 0.567 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -77.4 | -25.6 | 179.4 | -85.8 | -6.6 | 0 | 0 | 0 | 113.8 | S426 S431 R432 | S426-D428 PolarHBondContact O-N 2.9Å; D428-S431 WeakPolarHBondContact CA-OG 3.35Å; D428-S431 PolarHBondContact O-OG 3.08Å; D428-S431 VanDerWaalsContact O-OG 3.07Å; D428-R432 VanDerWaalsContact O-CG 3.31Å; D428-R432 WeakPolarHBondContact O-CG 3.23Å; D428-R432 PolarHBondContact O-N 2.91Å |
| 429 | A | 67.7 | Low | 64.5 | Low | 45 Ų | 45 | 112 Ų | 112 | 37% | 0.372 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -75.5 | -36.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | S426 L433 | S426-A429 PolarHBondContact O-N 3.16Å; A429-L433 WeakPolarHBondContact O-CG 3.33Å; A429-L433 PolarHBondContact O-N 2.94Å |
| 430 | V | 73.4 | Confident | 66.8 | Low | 71 Ų | 71 | 111.5 Ų | 111.5 | 43% | 0.43 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -69.8 | -42.2 | 178.2 | -178.9 | 0 | 0 | 0 | 0 | 110.8 | R432 L433 E434 | V430-R432 VanDerWaalsContact C-N 3.34Å; V430-R432 PolarHBondContact O-N 3.06Å; V430-L433 PolarHBondContact O-N 3.39Å; V430-E434 WeakPolarHBondContact O-CG 3.24Å; V430-E434 PolarHBondContact O-N 2.91Å |
| 431 | S | 75 | Confident | 69.5 | Low | 52 Ų | 52 | 107.4 Ų | 107.4 | 36% | 0.364 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.2 | -36.9 | 178.5 | 62.7 | 0 | 0 | 0 | 0 | 113 | S427 D428 E434 E435 | S427-S431 PolarHBondContact O-N 3.08Å; S427-S431 PolarHBondContact O-OG 2.95Å; D428-S431 WeakPolarHBondContact CA-OG 3.35Å; D428-S431 PolarHBondContact O-OG 3.08Å; D428-S431 VanDerWaalsContact O-OG 3.07Å; S431-E434 PolarHBondContact O-N 3.22Å; S431-E435 PolarHBondContact O-N 2.77Å; S431-E435 VanDerWaalsContact O-N 3.11Å |
| 432 | R | 78.8 | Confident | 72.2 | Confident | 171 Ų | 171 | 105.2 Ų | 105.2 | 65% | 0.645 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.7 | -40.8 | 174.5 | -73.2 | 178.2 | -172.1 | -169 | 4 | 112.5 | D428 V430 E435 E436 | D428-R432 VanDerWaalsContact O-CG 3.31Å; D428-R432 WeakPolarHBondContact O-CG 3.23Å; D428-R432 PolarHBondContact O-N 2.91Å; V430-R432 VanDerWaalsContact C-N 3.34Å; V430-R432 PolarHBondContact O-N 3.06Å; R432-E435 PolarHBondContact O-N 2.87Å; R432-E436 PolarHBondContact O-N 2.84Å |
| 433 | L | 76.8 | Confident | 74.4 | Confident | 111 Ų | 111 | 102.7 Ų | 102.7 | 58% | 0.581 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66 | -38.2 | 176.5 | -75.7 | 167.1 | 0 | 0 | 0 | 112 | A429 V430 E435 E436 M437 | A429-L433 WeakPolarHBondContact O-CG 3.33Å; A429-L433 PolarHBondContact O-N 2.94Å; V430-L433 PolarHBondContact O-N 3.39Å; L433-E435 VanDerWaalsContact C-N 3.3Å; L433-E435 PolarHBondContact O-N 2.86Å; L433-E436 PolarHBondContact O-N 2.87Å; L433-M437 WeakPolarHBondContact O-CB 3.41Å; L433-M437 PolarHBondContact O-N 3.08Å |
| 434 | E | 83.2 | Confident | 76.9 | Confident | 102 Ų | 102 | 103.6 Ų | 103.6 | 48% | 0.477 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.2 | -34.6 | 174.8 | -73.5 | -177.7 | 177 | 0 | 0 | 112.7 | V430 S431 R438 | V430-E434 WeakPolarHBondContact O-CG 3.24Å; V430-E434 PolarHBondContact O-N 2.91Å; S431-E434 PolarHBondContact O-N 3.22Å; E434-R438 PolarHBondContact O-N 2.84Å; E434-R438 VanDerWaalsContact O-N 3.09Å |
| 435 | E | 85.4 | Confident | 78.8 | Confident | 116 Ų | 116 | 103.4 Ų | 103.4 | 54% | 0.542 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72.9 | -37.9 | 177.9 | -151.5 | 176.3 | -169 | 0 | 0 | 111.8 | S431 R432 L433 R438 K439 | S431-E435 PolarHBondContact O-N 2.77Å; S431-E435 VanDerWaalsContact O-N 3.11Å; R432-E435 PolarHBondContact O-N 2.87Å; L433-E435 VanDerWaalsContact C-N 3.3Å; L433-E435 PolarHBondContact O-N 2.86Å; E435-R438 PolarHBondContact O-N 2.85Å; E435-K439 WeakPolarHBondContact O-CG 3.46Å; E435-K439 PolarHBondContact O-N 3.44Å; E435-K439 VanDerWaalsContact O-N 3.1Å |
| 436 | E | 84.9 | Confident | 80.8 | Confident | 119 Ų | 119 | 105 Ų | 105 | 56% | 0.556 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.1 | -40.7 | 171.4 | -76.1 | -171.5 | 162.9 | 0 | 0 | 112.3 | R432 L433 R438 K439 L440 | R432-E436 PolarHBondContact O-N 2.84Å; L433-E436 PolarHBondContact O-N 2.87Å; E436-R438 VanDerWaalsContact C-N 3.32Å; E436-R438 PolarHBondContact O-N 2.82Å; E436-K439 PolarHBondContact O-N 2.88Å; E436-L440 PolarHBondContact O-N 3.41Å |
| 437 | M | 84.9 | Confident | 82.1 | Confident | 115 Ų | 115 | 106.2 Ų | 106.2 | 57% | 0.567 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.9 | -42.1 | 174.2 | -107.8 | -169.5 | 67.9 | 0 | 0 | 112 | L433 L440 Q441 | L433-M437 WeakPolarHBondContact O-CB 3.41Å; L433-M437 PolarHBondContact O-N 3.08Å; M437-L440 PolarHBondContact O-N 2.99Å; M437-Q441 WeakPolarHBondContact O-CB 3.39Å; M437-Q441 WeakPolarHBondContact O-CG 3.41Å; M437-Q441 PolarHBondContact O-N 3.47Å |
| 438 | R | 88.6 | Confident | 83.5 | Confident | 167 Ų | 167 | 106.1 Ų | 106.1 | 63% | 0.63 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64 | -40.9 | 176.1 | -88 | -175.7 | -112.6 | -168.2 | -5.4 | 112.4 | E434 E435 E436 Q441 A442 | E434-R438 PolarHBondContact O-N 2.84Å; E434-R438 VanDerWaalsContact O-N 3.09Å; E435-R438 PolarHBondContact O-N 2.85Å; E436-R438 VanDerWaalsContact C-N 3.32Å; E436-R438 PolarHBondContact O-N 2.82Å; R438-Q441 PolarHBondContact O-N 2.96Å; R438-A442 PolarHBondContact O-N 2.83Å |
| 439 | K | 88.3 | Confident | 84.9 | Confident | 134 Ų | 134 | 107.7 Ų | 107.7 | 58% | 0.583 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.5 | -40.8 | 176.2 | -75.3 | 173.5 | -178.3 | 168.7 | 0 | 112.1 | E435 E436 A442 T443 | E435-K439 WeakPolarHBondContact O-CG 3.46Å; E435-K439 PolarHBondContact O-N 3.44Å; E435-K439 VanDerWaalsContact O-N 3.1Å; E436-K439 PolarHBondContact O-N 2.88Å; K439-A442 PolarHBondContact O-N 2.82Å; K439-T443 PolarHBondContact O-N 2.88Å; K439-T443 PolarHBondContact O-OG1 3.43Å |
| 440 | L | 85.4 | Confident | 86 | Confident | 115 Ų | 115 | 114 Ų | 114 | 60% | 0.602 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.5 | -44.4 | 175.6 | -81.9 | 161.3 | 0 | 0 | 0 | 111.4 | E436 M437 A442 T443 V444 | E436-L440 PolarHBondContact O-N 3.41Å; M437-L440 PolarHBondContact O-N 2.99Å; L440-A442 VanDerWaalsContact C-N 3.34Å; L440-A442 PolarHBondContact O-N 3.04Å; L440-T443 PolarHBondContact O-N 3.07Å; L440-V444 WeakPolarHBondContact O-CG2 3.27Å; L440-V444 PolarHBondContact O-N 3.4Å |
| 441 | Q | 88.8 | Confident | 86.7 | Confident | 105 Ų | 105 | 114.8 Ų | 114.8 | 49% | 0.491 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 176.8 | -75.4 | 176.2 | -19.2 | 0 | 0 | 112.7 | M437 R438 V444 Q445 | M437-Q441 WeakPolarHBondContact O-CB 3.39Å; M437-Q441 WeakPolarHBondContact O-CG 3.41Å; M437-Q441 PolarHBondContact O-N 3.47Å; R438-Q441 PolarHBondContact O-N 2.96Å; Q441-V444 PolarHBondContact O-N 2.76Å; Q441-Q445 WeakPolarHBondContact O-CG 3.49Å; Q441-Q445 PolarHBondContact O-N 2.75Å |
| 442 | A | 90.6 | Very high | 87.4 | Confident | 55 Ų | 55 | 115.5 Ų | 115.5 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R438 K439 L440 V444 Q445 E446 | R438-A442 PolarHBondContact O-N 2.83Å; K439-A442 PolarHBondContact O-N 2.82Å; L440-A442 VanDerWaalsContact C-N 3.34Å; L440-A442 PolarHBondContact O-N 3.04Å; A442-V444 VanDerWaalsContact C-N 3.34Å; A442-V444 PolarHBondContact O-N 3.13Å; A442-Q445 PolarHBondContact O-N 2.75Å; A442-E446 PolarHBondContact O-N 2.83Å |
| 443 | T | 89 | Confident | 87.7 | Confident | 79 Ų | 79 | 115.9 Ų | 115.9 | 49% | 0.485 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.1 | -41.8 | 177.2 | -48.8 | 0 | 0 | 0 | 0 | 111.6 | K439 L440 E446 L447 | K439-T443 PolarHBondContact O-N 2.88Å; K439-T443 PolarHBondContact O-OG1 3.43Å; L440-T443 PolarHBondContact O-N 3.07Å; T443-E446 PolarHBondContact O-N 3.09Å; T443-L447 HydrophobicContact CG2-CD1 4.32Å; T443-L447 WeakPolarHBondContact O-CG 3.42Å; T443-L447 PolarHBondContact O-N 2.79Å |
| 444 | V | 90.9 | Very high | 88 | Confident | 90 Ų | 90 | 116 Ų | 116 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.3 | -42.8 | 177 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | L440 Q441 A442 E446 L447 Q448 | L440-V444 WeakPolarHBondContact O-CG2 3.27Å; L440-V444 PolarHBondContact O-N 3.4Å; Q441-V444 PolarHBondContact O-N 2.76Å; A442-V444 VanDerWaalsContact C-N 3.34Å; A442-V444 PolarHBondContact O-N 3.13Å; V444-E446 VanDerWaalsContact C-N 3.32Å; V444-E446 PolarHBondContact O-N 3.38Å; V444-L447 PolarHBondContact O-N 3.15Å; V444-Q448 WeakPolarHBondContact O-CB 3.49Å; V444-Q448 PolarHBondContact O-N 2.87Å |
| 445 | Q | 90 | Very high | 88.1 | Confident | 133 Ų | 133 | 116.3 Ų | 116.3 | 62% | 0.621 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.2 | -36.5 | 176.9 | -75.3 | -177.7 | -3.4 | 0 | 0 | 112.8 | Q441 A442 Q448 K449 | Q441-Q445 WeakPolarHBondContact O-CG 3.49Å; Q441-Q445 PolarHBondContact O-N 2.75Å; A442-Q445 PolarHBondContact O-N 2.75Å; Q445-Q448 PolarHBondContact O-N 2.93Å; Q445-K449 PolarHBondContact O-N 3.29Å; Q445-K449 VanDerWaalsContact O-N 3.12Å |
| 446 | E | 91.1 | Very high | 88 | Confident | 143 Ų | 143 | 117.4 Ų | 117.4 | 67% | 0.668 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -70.7 | -40 | 177.3 | -175.1 | 145.5 | -169.1 | 0 | 0 | 112.1 | A442 T443 V444 Q448 K449 R450 | A442-E446 PolarHBondContact O-N 2.83Å; T443-E446 PolarHBondContact O-N 3.09Å; V444-E446 VanDerWaalsContact C-N 3.32Å; V444-E446 PolarHBondContact O-N 3.38Å; E446-Q448 VanDerWaalsContact C-N 3.32Å; E446-Q448 PolarHBondContact O-N 3.24Å; E446-K449 PolarHBondContact O-N 2.92Å; E446-R450 PolarHBondContact O-N 3.24Å; E446-R450 VanDerWaalsContact O-N 3.1Å |
| 447 | L | 88.6 | Confident | 87.7 | Confident | 100 Ų | 100 | 116 Ų | 116 | 52% | 0.524 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.2 | -40.7 | 172.7 | -72.2 | 172.7 | 0 | 0 | 0 | 111.7 | T443 V444 R450 L451 | T443-L447 HydrophobicContact CG2-CD1 4.32Å; T443-L447 WeakPolarHBondContact O-CG 3.42Å; T443-L447 PolarHBondContact O-N 2.79Å; V444-L447 PolarHBondContact O-N 3.15Å; L447-R450 WeakPolarHBondContact O-CB 3.41Å; L447-R450 PolarHBondContact O-N 3.17Å; L447-L451 PolarHBondContact O-N 2.72Å |
| 448 | Q | 91.1 | Very high | 87.3 | Confident | 100 Ų | 100 | 115.5 Ų | 115.5 | 47% | 0.467 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.4 | -48.3 | 177.3 | -167.1 | 63.5 | 39.2 | 0 | 0 | 111.6 | V444 Q445 E446 R450 L451 D452 | V444-Q448 WeakPolarHBondContact O-CB 3.49Å; V444-Q448 PolarHBondContact O-N 2.87Å; Q445-Q448 PolarHBondContact O-N 2.93Å; E446-Q448 VanDerWaalsContact C-N 3.32Å; E446-Q448 PolarHBondContact O-N 3.24Å; Q448-R450 PolarHBondContact O-N 3.22Å; Q448-L451 WeakPolarHBondContact O-CA 3.45Å; Q448-L451 VanDerWaalsContact O-CB 3.31Å; Q448-L451 WeakPolarHBondContact O-CB 3.5Å; Q448-L451 PolarHBondContact O-N 3.32Å; Q448-D452 PolarHBondContact NE2-OD1 3.3Å; Q448-D452 PolarHBondContact O-N 3.28Å |
| 449 | K | 90.4 | Very high | 86.4 | Confident | 138 Ų | 138 | 115.5 Ų | 115.5 | 60% | 0.6 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.6 | -32.6 | 175.7 | -75 | 179.2 | -179.8 | 175.1 | 0 | 113 | Q445 E446 R453 | Q445-K449 PolarHBondContact O-N 3.29Å; Q445-K449 VanDerWaalsContact O-N 3.12Å; E446-K449 PolarHBondContact O-N 2.92Å; K449-R453 WeakPolarHBondContact O-CG 3.39Å; K449-R453 PolarHBondContact O-N 2.76Å |
| 450 | R | 90.9 | Very high | 85.2 | Confident | 178 Ų | 178 | 113.3 Ų | 113.3 | 67% | 0.672 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.1 | -37.4 | 176.6 | -127.8 | 176.8 | 172.4 | -173.3 | -2.3 | 111.5 | E446 L447 Q448 L454 | E446-R450 PolarHBondContact O-N 3.24Å; E446-R450 VanDerWaalsContact O-N 3.1Å; L447-R450 WeakPolarHBondContact O-CB 3.41Å; L447-R450 PolarHBondContact O-N 3.17Å; Q448-R450 PolarHBondContact O-N 3.22Å; R450-L454 WeakPolarHBondContact O-CG 3.25Å; R450-L454 PolarHBondContact O-N 2.71Å |
| 451 | L | 88.5 | Confident | 83.5 | Confident | 88 Ų | 88 | 119.3 Ų | 119.3 | 46% | 0.461 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.1 | -48.5 | 175.3 | -136.3 | 120.7 | 0 | 0 | 0 | 110.5 | L447 Q448 R453 L454 E455 | L447-L451 PolarHBondContact O-N 2.72Å; Q448-L451 WeakPolarHBondContact O-CA 3.45Å; Q448-L451 VanDerWaalsContact O-CB 3.31Å; Q448-L451 WeakPolarHBondContact O-CB 3.5Å; Q448-L451 PolarHBondContact O-N 3.32Å; L451-R453 VanDerWaalsContact C-N 3.32Å; L451-R453 PolarHBondContact O-N 2.73Å; L451-L454 WeakPolarHBondContact O-CB 3.2Å; L451-L454 PolarHBondContact O-N 2.91Å; L451-E455 WeakPolarHBondContact O-CG 3.35Å; L451-E455 PolarHBondContact O-N 2.92Å |
| 452 | D | 88.4 | Confident | 83.2 | Confident | 67 Ų | 67 | 120 Ų | 120 | 36% | 0.358 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -59.2 | -42 | 179.9 | -56.7 | -18.9 | 0 | 0 | 0 | 111.5 | Q448 L454 E455 E456 | Q448-D452 PolarHBondContact NE2-OD1 3.3Å; Q448-D452 PolarHBondContact O-N 3.28Å; D452-L454 VanDerWaalsContact C-N 3.35Å; D452-L454 PolarHBondContact O-N 3.07Å; D452-E455 PolarHBondContact O-N 2.71Å; D452-E456 WeakPolarHBondContact O-CG 3.14Å; D452-E456 PolarHBondContact O-N 3.46Å |
| 453 | R | 85.2 | Confident | 82.8 | Confident | 179 Ų | 179 | 123.4 Ų | 123.4 | 68% | 0.675 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.5 | -36.7 | 174.8 | -75.5 | -179 | -175.7 | -178.5 | 2.6 | 113.2 | K449 L451 T457 | K449-R453 WeakPolarHBondContact O-CG 3.39Å; K449-R453 PolarHBondContact O-N 2.76Å; L451-R453 VanDerWaalsContact C-N 3.32Å; L451-R453 PolarHBondContact O-N 2.73Å; R453-T457 PolarHBondContact O-N 2.85Å; R453-T457 VanDerWaalsContact O-N 3.14Å; R453-T457 PolarHBondContact O-OG1 3.34Å |
| 454 | L | 84 | Confident | 82.5 | Confident | 113 Ų | 113 | 125.9 Ų | 125.9 | 59% | 0.592 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.2 | -39.3 | 177 | -77.8 | 167 | 0 | 0 | 0 | 110.6 | R450 L451 D452 T457 V458 | R450-L454 WeakPolarHBondContact O-CG 3.25Å; R450-L454 PolarHBondContact O-N 2.71Å; L451-L454 WeakPolarHBondContact O-CB 3.2Å; L451-L454 PolarHBondContact O-N 2.91Å; D452-L454 VanDerWaalsContact C-N 3.35Å; D452-L454 PolarHBondContact O-N 3.07Å; L454-T457 PolarHBondContact O-N 2.81Å; L454-V458 VanDerWaalsContact O-CG2 3.31Å; L454-V458 WeakPolarHBondContact O-CG2 3.02Å; L454-V458 PolarHBondContact O-N 2.98Å |
| 455 | E | 85.5 | Confident | 82 | Confident | 108 Ų | 108 | 128 Ų | 128 | 51% | 0.505 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.5 | -42.8 | 175.4 | -71.2 | -177.9 | 169.5 | 0 | 0 | 112 | L451 D452 T457 V458 Q459 | L451-E455 WeakPolarHBondContact O-CG 3.35Å; L451-E455 PolarHBondContact O-N 2.92Å; D452-E455 PolarHBondContact O-N 2.71Å; E455-T457 VanDerWaalsContact C-N 3.29Å; E455-T457 PolarHBondContact O-N 2.87Å; E455-V458 PolarHBondContact O-N 3.21Å; E455-Q459 PolarHBondContact O-N 3.22Å |
| 456 | E | 83.9 | Confident | 81.5 | Confident | 139 Ų | 139 | 127.7 Ų | 127.7 | 65% | 0.65 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -60.4 | -38.6 | 172.9 | -74.2 | 179.2 | 171.5 | 0 | 0 | 112.3 | D452 V458 Q459 A460 | D452-E456 WeakPolarHBondContact O-CG 3.14Å; D452-E456 PolarHBondContact O-N 3.46Å; E456-V458 VanDerWaalsContact C-N 3.33Å; E456-V458 PolarHBondContact O-N 3.31Å; E456-Q459 PolarHBondContact O-N 2.79Å; E456-A460 PolarHBondContact O-N 3.49Å |
| 457 | T | 76.9 | Confident | 80.8 | Confident | 89 Ų | 89 | 126.7 Ų | 126.7 | 55% | 0.546 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -71.4 | -29.8 | 179.4 | -47.2 | 0 | 0 | 0 | 0 | 112.1 | R453 L454 E455 | R453-T457 PolarHBondContact O-N 2.85Å; R453-T457 VanDerWaalsContact O-N 3.14Å; R453-T457 PolarHBondContact O-OG1 3.34Å; L454-T457 PolarHBondContact O-N 2.81Å; E455-T457 VanDerWaalsContact C-N 3.29Å; E455-T457 PolarHBondContact O-N 2.87Å |
| 458 | V | 76.8 | Confident | 80.3 | Confident | 105 Ų | 105 | 128.6 Ų | 128.6 | 64% | 0.636 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -78.2 | -33.5 | 176.8 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | L454 E455 E456 A460 | L454-V458 VanDerWaalsContact O-CG2 3.31Å; L454-V458 WeakPolarHBondContact O-CG2 3.02Å; L454-V458 PolarHBondContact O-N 2.98Å; E455-V458 PolarHBondContact O-N 3.21Å; E456-V458 VanDerWaalsContact C-N 3.33Å; E456-V458 PolarHBondContact O-N 3.31Å; V458-A460 VanDerWaalsContact C-N 3.33Å |
| 459 | Q | 70.1 | Confident | 79.5 | Confident | 167 Ų | 167 | 130.8 Ų | 130.8 | 78% | 0.78 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -75.7 | -18.1 | 175.8 | -72.3 | -171.7 | -0.4 | 0 | 0 | 114.1 | E455 E456 K461 | E455-Q459 PolarHBondContact O-N 3.22Å; E456-Q459 PolarHBondContact O-N 2.79Å; Q459-K461 VanDerWaalsContact C-N 3.35Å |
| 460 | A | 62.4 | Low | 78.5 | Confident | 88 Ų | 88 | 130.2 Ų | 130.2 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 1.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E456 V458 | E456-A460 PolarHBondContact O-N 3.49Å; V458-A460 VanDerWaalsContact C-N 3.33Å |
| 461 | K | 49.9 | Very low | 77.4 | Confident | 241 Ų | 241 | 125.8 Ų | 125.8 | 100% | 1.048 | 63% | 0.634 | S | S | * | * | trans | -109.1 | 0 | 170.2 | -79.6 | -174.8 | 175.2 | -179.2 | 0 | 109.9 | Q459 | Q459-K461 VanDerWaalsContact C-N 3.35Š|
Retrieved 461 of 461 residues in 120.5 ms
(Link to these results)